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*** ***elNémo ID: 23012322123368952Job options:ID = 23012322123368952 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_6JQR # _entry.id 6JQR # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.318 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 6JQR WWPDB D_1300011595 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 6JQR _pdbx_database_status.recvd_initial_deposition_date 2019-04-01 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # _audit_author.name 'Amano, Y.' _audit_author.pdbx_ordinal 1 _audit_author.identifier_ORCID 0000-0002-7190-7537 # _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 US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Oncotarget _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1949-2553 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 10 _citation.language ? _citation.page_first 6111 _citation.page_last 6123 _citation.title ;Effect of Fms-like tyrosine kinase 3 (FLT3) ligand (FL) on antitumor activity of gilteritinib, a FLT3 inhibitor, in mice xenografted with FL-overexpressing cells. ; _citation.year 2019 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.18632/oncotarget.27222 _citation.pdbx_database_id_PubMed 31692922 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Kawase, T.' 1 ? primary 'Nakazawa, T.' 2 ? primary 'Eguchi, T.' 3 ? primary 'Tsuzuki, H.' 4 ? primary 'Ueno, Y.' 5 ? primary 'Amano, Y.' 6 ? primary 'Suzuki, T.' 7 ? primary 'Mori, M.' 8 ? primary 'Yoshida, T.' 9 ? # _cell.entry_id 6JQR _cell.length_a 82.367 _cell.length_b 82.367 _cell.length_c 146.469 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 6JQR _symmetry.space_group_name_H-M 'P 43 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 96 # 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 syn 'Receptor-type tyrosine-protein kinase FLT3,Receptor-type tyrosine-protein kinase FLT3' 37999.242 1 2.7.10.1 ? 'KINASE DOMAIN' ? 2 non-polymer syn '6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide' 552.711 1 ? ? ? ? 3 non-polymer syn 'SULFATE ION' 96.063 3 ? ? ? ? 4 non-polymer syn GLYCEROL 92.094 3 ? ? ? ? 5 non-polymer syn '3-CYCLOHEXYL-1-PROPYLSULFONIC ACID' 221.317 1 ? ? ? ? 6 water nat water 18.015 97 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'FL cytokine receptor,Fetal liver kinase-2,FLK-2,Fms-like tyrosine kinase 3,FLT-3,Stem cell tyrosine kinase 1,STK-1' # _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 ;RYESQLQMVQVTGSSDNEYFYVDFREYEYDLKWEFPRENLEFGKVLGSGAFGKVMNATAYGISKTGVSIQVAVKMLKEKA DSSEREALMSELKMMTQLGSHENIVNLLGACTLSGPIYLIFEYCCYGDLLNYLRSKREKFSEDEIEYENQKRLEEEEDLN VLTFEDLLCFAYQVAKGMEFLEFKSCVHRDLAARNVLVTHGKVVKICDFGLARDIMSDSNYVVRGNARLPVKWMAPESLF EGIYTIKSDVWSYGILLWEIFSLGVNPYPGIPVDANFYKLIQNGFKMDQPFYATEEIYIIMQSCWAFDSRKRPSFPNLTS FLGCQLADAE ; _entity_poly.pdbx_seq_one_letter_code_can ;RYESQLQMVQVTGSSDNEYFYVDFREYEYDLKWEFPRENLEFGKVLGSGAFGKVMNATAYGISKTGVSIQVAVKMLKEKA DSSEREALMSELKMMTQLGSHENIVNLLGACTLSGPIYLIFEYCCYGDLLNYLRSKREKFSEDEIEYENQKRLEEEEDLN VLTFEDLLCFAYQVAKGMEFLEFKSCVHRDLAARNVLVTHGKVVKICDFGLARDIMSDSNYVVRGNARLPVKWMAPESLF EGIYTIKSDVWSYGILLWEIFSLGVNPYPGIPVDANFYKLIQNGFKMDQPFYATEEIYIIMQSCWAFDSRKRPSFPNLTS FLGCQLADAE ; _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 ARG n 1 2 TYR n 1 3 GLU n 1 4 SER n 1 5 GLN n 1 6 LEU n 1 7 GLN n 1 8 MET n 1 9 VAL n 1 10 GLN n 1 11 VAL n 1 12 THR n 1 13 GLY n 1 14 SER n 1 15 SER n 1 16 ASP n 1 17 ASN n 1 18 GLU n 1 19 TYR n 1 20 PHE n 1 21 TYR n 1 22 VAL n 1 23 ASP n 1 24 PHE n 1 25 ARG n 1 26 GLU n 1 27 TYR n 1 28 GLU n 1 29 TYR n 1 30 ASP n 1 31 LEU n 1 32 LYS n 1 33 TRP n 1 34 GLU n 1 35 PHE n 1 36 PRO n 1 37 ARG n 1 38 GLU n 1 39 ASN n 1 40 LEU n 1 41 GLU n 1 42 PHE n 1 43 GLY n 1 44 LYS n 1 45 VAL n 1 46 LEU n 1 47 GLY n 1 48 SER n 1 49 GLY n 1 50 ALA n 1 51 PHE n 1 52 GLY n 1 53 LYS n 1 54 VAL n 1 55 MET n 1 56 ASN n 1 57 ALA n 1 58 THR n 1 59 ALA n 1 60 TYR n 1 61 GLY n 1 62 ILE n 1 63 SER n 1 64 LYS n 1 65 THR n 1 66 GLY n 1 67 VAL n 1 68 SER n 1 69 ILE n 1 70 GLN n 1 71 VAL n 1 72 ALA n 1 73 VAL n 1 74 LYS n 1 75 MET n 1 76 LEU n 1 77 LYS n 1 78 GLU n 1 79 LYS n 1 80 ALA n 1 81 ASP n 1 82 SER n 1 83 SER n 1 84 GLU n 1 85 ARG n 1 86 GLU n 1 87 ALA n 1 88 LEU n 1 89 MET n 1 90 SER n 1 91 GLU n 1 92 LEU n 1 93 LYS n 1 94 MET n 1 95 MET n 1 96 THR n 1 97 GLN n 1 98 LEU n 1 99 GLY n 1 100 SER n 1 101 HIS n 1 102 GLU n 1 103 ASN n 1 104 ILE n 1 105 VAL n 1 106 ASN n 1 107 LEU n 1 108 LEU n 1 109 GLY n 1 110 ALA n 1 111 CYS n 1 112 THR n 1 113 LEU n 1 114 SER n 1 115 GLY n 1 116 PRO n 1 117 ILE n 1 118 TYR n 1 119 LEU n 1 120 ILE n 1 121 PHE n 1 122 GLU n 1 123 TYR n 1 124 CYS n 1 125 CYS n 1 126 TYR n 1 127 GLY n 1 128 ASP n 1 129 LEU n 1 130 LEU n 1 131 ASN n 1 132 TYR n 1 133 LEU n 1 134 ARG n 1 135 SER n 1 136 LYS n 1 137 ARG n 1 138 GLU n 1 139 LYS n 1 140 PHE n 1 141 SER n 1 142 GLU n 1 143 ASP n 1 144 GLU n 1 145 ILE n 1 146 GLU n 1 147 TYR n 1 148 GLU n 1 149 ASN n 1 150 GLN n 1 151 LYS n 1 152 ARG n 1 153 LEU n 1 154 GLU n 1 155 GLU n 1 156 GLU n 1 157 GLU n 1 158 ASP n 1 159 LEU n 1 160 ASN n 1 161 VAL n 1 162 LEU n 1 163 THR n 1 164 PHE n 1 165 GLU n 1 166 ASP n 1 167 LEU n 1 168 LEU n 1 169 CYS n 1 170 PHE n 1 171 ALA n 1 172 TYR n 1 173 GLN n 1 174 VAL n 1 175 ALA n 1 176 LYS n 1 177 GLY n 1 178 MET n 1 179 GLU n 1 180 PHE n 1 181 LEU n 1 182 GLU n 1 183 PHE n 1 184 LYS n 1 185 SER n 1 186 CYS n 1 187 VAL n 1 188 HIS n 1 189 ARG n 1 190 ASP n 1 191 LEU n 1 192 ALA n 1 193 ALA n 1 194 ARG n 1 195 ASN n 1 196 VAL n 1 197 LEU n 1 198 VAL n 1 199 THR n 1 200 HIS n 1 201 GLY n 1 202 LYS n 1 203 VAL n 1 204 VAL n 1 205 LYS n 1 206 ILE n 1 207 CYS n 1 208 ASP n 1 209 PHE n 1 210 GLY n 1 211 LEU n 1 212 ALA n 1 213 ARG n 1 214 ASP n 1 215 ILE n 1 216 MET n 1 217 SER n 1 218 ASP n 1 219 SER n 1 220 ASN n 1 221 TYR n 1 222 VAL n 1 223 VAL n 1 224 ARG n 1 225 GLY n 1 226 ASN n 1 227 ALA n 1 228 ARG n 1 229 LEU n 1 230 PRO n 1 231 VAL n 1 232 LYS n 1 233 TRP n 1 234 MET n 1 235 ALA n 1 236 PRO n 1 237 GLU n 1 238 SER n 1 239 LEU n 1 240 PHE n 1 241 GLU n 1 242 GLY n 1 243 ILE n 1 244 TYR n 1 245 THR n 1 246 ILE n 1 247 LYS n 1 248 SER n 1 249 ASP n 1 250 VAL n 1 251 TRP n 1 252 SER n 1 253 TYR n 1 254 GLY n 1 255 ILE n 1 256 LEU n 1 257 LEU n 1 258 TRP n 1 259 GLU n 1 260 ILE n 1 261 PHE n 1 262 SER n 1 263 LEU n 1 264 GLY n 1 265 VAL n 1 266 ASN n 1 267 PRO n 1 268 TYR n 1 269 PRO n 1 270 GLY n 1 271 ILE n 1 272 PRO n 1 273 VAL n 1 274 ASP n 1 275 ALA n 1 276 ASN n 1 277 PHE n 1 278 TYR n 1 279 LYS n 1 280 LEU n 1 281 ILE n 1 282 GLN n 1 283 ASN n 1 284 GLY n 1 285 PHE n 1 286 LYS n 1 287 MET n 1 288 ASP n 1 289 GLN n 1 290 PRO n 1 291 PHE n 1 292 TYR n 1 293 ALA n 1 294 THR n 1 295 GLU n 1 296 GLU n 1 297 ILE n 1 298 TYR n 1 299 ILE n 1 300 ILE n 1 301 MET n 1 302 GLN n 1 303 SER n 1 304 CYS n 1 305 TRP n 1 306 ALA n 1 307 PHE n 1 308 ASP n 1 309 SER n 1 310 ARG n 1 311 LYS n 1 312 ARG n 1 313 PRO n 1 314 SER n 1 315 PHE n 1 316 PRO n 1 317 ASN n 1 318 LEU n 1 319 THR n 1 320 SER n 1 321 PHE n 1 322 LEU n 1 323 GLY n 1 324 CYS n 1 325 GLN n 1 326 LEU n 1 327 ALA n 1 328 ASP n 1 329 ALA n 1 330 GLU n # loop_ _pdbx_entity_src_syn.entity_id _pdbx_entity_src_syn.pdbx_src_id _pdbx_entity_src_syn.pdbx_alt_source_flag _pdbx_entity_src_syn.pdbx_beg_seq_num _pdbx_entity_src_syn.pdbx_end_seq_num _pdbx_entity_src_syn.organism_scientific _pdbx_entity_src_syn.organism_common_name _pdbx_entity_src_syn.ncbi_taxonomy_id _pdbx_entity_src_syn.details 1 1 sample 1 140 'Homo sapiens' Human 9606 ? 1 2 sample 141 330 'Homo sapiens' Human 9606 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP FLT3_HUMAN P36888 ? 1 ;RYESQLQMVQVTGSSDNEYFYVDFREYEYDLKWEFPRENLEFGKVLGSGAFGKVMNATAYGISKTGVSIQVAVKMLKEKA DSSEREALMSELKMMTQLGSHENIVNLLGACTLSGPIYLIFEYCCYGDLLNYLRSKREKF ; 571 2 UNP FLT3_HUMAN P36888 ? 1 ;SEDEIEYENQKRLEEEEDLNVLTFEDLLCFAYQVAKGMEFLEFKSCVHRDLAARNVLVTHGKVVKICDFGLARDIMSDSN YVVRGNARLPVKWMAPESLFEGIYTIKSDVWSYGILLWEIFSLGVNPYPGIPVDANFYKLIQNGFKMDQPFYATEEIYII MQSCWAFDSRKRPSFPNLTSFLGCQLADAE ; 762 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 6JQR A 1 ? 140 ? P36888 571 ? 710 ? 571 710 2 2 6JQR A 141 ? 330 ? P36888 762 ? 951 ? 762 951 # 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 C6F non-polymer . '6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide' gilteritinib 'C29 H44 N8 O3' 552.711 CXS non-polymer . '3-CYCLOHEXYL-1-PROPYLSULFONIC ACID' ? 'C9 H19 N O3 S' 221.317 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 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 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 6JQR _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 3.35 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 63.26 _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' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'buffer, salt, precipitant' _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.pdbx_serial_crystal_experiment N # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS3 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2018-05-17 _diffrn_detector.pdbx_frequency ? # _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 0.9999 _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 'SLS BEAMLINE X10SA' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.9999 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline X10SA _diffrn_source.pdbx_synchrotron_site SLS # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 6JQR _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 71.790 _reflns.d_resolution_high 2.200 _reflns.number_obs 24524 _reflns.number_all ? _reflns.percent_possible_obs 93.1 _reflns.pdbx_Rmerge_I_obs 0.04000 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 49.6100 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 15.70 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.20 _reflns_shell.d_res_low 2.45 _reflns_shell.percent_possible_all 81.8 _reflns_shell.Rmerge_I_obs 0.44100 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 16.20 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 6JQR _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 23205 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 71.79 _refine.ls_d_res_high 2.20 _refine.ls_percent_reflns_obs 93.1 _refine.ls_R_factor_obs 0.181 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.179 _refine.ls_R_factor_R_free 0.213 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.400 _refine.ls_number_reflns_R_free 1319 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.956 _refine.correlation_coeff_Fo_to_Fc_free 0.939 _refine.B_iso_mean 54.61 _refine.aniso_B[1][1] 0.06000 _refine.aniso_B[2][2] 0.06000 _refine.aniso_B[3][3] -0.11000 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] 0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ;HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS ; _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.181 _refine.pdbx_overall_ESU_R_Free 0.162 _refine.overall_SU_ML 0.104 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 8.171 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2361 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 87 _refine_hist.number_atoms_solvent 97 _refine_hist.number_atoms_total 2545 _refine_hist.d_res_high 2.20 _refine_hist.d_res_low 71.79 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.012 0.020 ? 2500 'X-RAY DIFFRACTION' ? r_bond_other_d 0.003 0.020 ? 2327 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.587 1.990 ? 3380 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.227 3.000 ? 5328 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.811 5.000 ? 296 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.313 24.019 ? 107 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.418 15.000 ? 393 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 11.719 15.000 ? 10 'X-RAY DIFFRACTION' ? r_chiral_restr 0.091 0.200 ? 368 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 2762 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.002 0.020 ? 582 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 3.555 4.273 ? 1199 'X-RAY DIFFRACTION' ? r_mcbond_other 3.557 4.269 ? 1198 'X-RAY DIFFRACTION' ? r_mcangle_it 4.762 7.157 ? 1490 'X-RAY DIFFRACTION' ? r_mcangle_other 4.760 7.163 ? 1491 'X-RAY DIFFRACTION' ? r_scbond_it 5.098 5.072 ? 1301 'X-RAY DIFFRACTION' ? r_scbond_other 5.094 5.072 ? 1301 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 7.298 8.273 ? 1891 'X-RAY DIFFRACTION' ? r_long_range_B_refined 8.157 38.214 ? 2671 'X-RAY DIFFRACTION' ? r_long_range_B_other 8.136 37.939 ? 2657 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.20 _refine_ls_shell.d_res_low 2.26 _refine_ls_shell.number_reflns_R_work 933 _refine_ls_shell.R_factor_R_work 0.3040 _refine_ls_shell.percent_reflns_obs 52.52 _refine_ls_shell.R_factor_R_free 0.3360 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 58 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 6JQR _struct.title 'Crystal structure of FLT3 in complex with gilteritinib' _struct.pdbx_descriptor 'Receptor-type tyrosine-protein kinase FLT3,Receptor-type tyrosine-protein kinase FLT3 (E.C.2.7.10.1)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 6JQR _struct_keywords.text 'protein kinase, ONCOPROTEIN, TRANSFERASE' _struct_keywords.pdbx_keywords TRANSFERASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 4 ? J N N 6 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 23 ? TYR A 27 ? ASP A 593 TYR A 597 5 ? 5 HELX_P HELX_P2 AA2 ASP A 30 ? GLU A 34 ? ASP A 600 GLU A 604 5 ? 5 HELX_P HELX_P3 AA3 PRO A 36 ? GLU A 38 ? PRO A 606 GLU A 608 5 ? 3 HELX_P HELX_P4 AA4 SER A 82 ? GLY A 99 ? SER A 652 GLY A 669 1 ? 18 HELX_P HELX_P5 AA5 ASP A 128 ? LYS A 136 ? ASP A 698 LYS A 706 1 ? 9 HELX_P HELX_P6 AA6 PHE A 164 ? LYS A 184 ? PHE A 785 LYS A 805 1 ? 21 HELX_P HELX_P7 AA7 ALA A 192 ? ARG A 194 ? ALA A 813 ARG A 815 5 ? 3 HELX_P HELX_P8 AA8 HIS A 200 ? LYS A 202 ? HIS A 821 LYS A 823 5 ? 3 HELX_P HELX_P9 AA9 PRO A 230 ? MET A 234 ? PRO A 851 MET A 855 5 ? 5 HELX_P HELX_P10 AB1 ALA A 235 ? GLY A 242 ? ALA A 856 GLY A 863 1 ? 8 HELX_P HELX_P11 AB2 THR A 245 ? SER A 262 ? THR A 866 SER A 883 1 ? 18 HELX_P HELX_P12 AB3 ASP A 274 ? ASN A 283 ? ASP A 895 ASN A 904 1 ? 10 HELX_P HELX_P13 AB4 THR A 294 ? TRP A 305 ? THR A 915 TRP A 926 1 ? 12 HELX_P HELX_P14 AB5 ASP A 308 ? ARG A 312 ? ASP A 929 ARG A 933 5 ? 5 HELX_P HELX_P15 AB6 SER A 314 ? ASP A 328 ? SER A 935 ASP A 949 1 ? 15 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 3 ? AA2 ? 5 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA3 1 2 ? parallel AA4 1 2 ? anti-parallel AA5 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 TYR A 19 ? TYR A 21 ? TYR A 589 TYR A 591 AA1 2 LEU A 6 ? VAL A 11 ? LEU A 576 VAL A 581 AA1 3 CYS A 186 ? HIS A 188 ? CYS A 807 HIS A 809 AA2 1 LEU A 40 ? SER A 48 ? LEU A 610 SER A 618 AA2 2 GLY A 52 ? TYR A 60 ? GLY A 622 TYR A 630 AA2 3 SER A 68 ? LEU A 76 ? SER A 638 LEU A 646 AA2 4 TYR A 118 ? GLU A 122 ? TYR A 688 GLU A 692 AA2 5 LEU A 107 ? CYS A 111 ? LEU A 677 CYS A 681 AA3 1 PHE A 140 ? SER A 141 ? PHE A 710 SER A 762 AA3 2 LEU A 162 ? THR A 163 ? LEU A 783 THR A 784 AA4 1 VAL A 196 ? VAL A 198 ? VAL A 817 VAL A 819 AA4 2 VAL A 204 ? ILE A 206 ? VAL A 825 ILE A 827 AA5 1 VAL A 222 ? ARG A 224 ? VAL A 843 ARG A 845 AA5 2 ALA A 227 ? LEU A 229 ? ALA A 848 LEU A 850 # 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 O PHE A 20 ? O PHE A 590 N GLN A 10 ? N GLN A 580 AA1 2 3 N GLN A 7 ? N GLN A 577 O VAL A 187 ? O VAL A 808 AA2 1 2 N LEU A 46 ? N LEU A 616 O VAL A 54 ? O VAL A 624 AA2 2 3 N MET A 55 ? N MET A 625 O VAL A 73 ? O VAL A 643 AA2 3 4 N ALA A 72 ? N ALA A 642 O PHE A 121 ? O PHE A 691 AA2 4 5 O ILE A 120 ? O ILE A 690 N LEU A 108 ? N LEU A 678 AA3 1 2 N SER A 141 ? N SER A 762 O LEU A 162 ? O LEU A 783 AA4 1 2 N LEU A 197 ? N LEU A 818 O LYS A 205 ? O LYS A 826 AA5 1 2 N VAL A 222 ? N VAL A 843 O LEU A 229 ? O LEU A 850 # 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 C6F 1001 ? 10 'binding site for residue C6F A 1001' AC2 Software A SO4 1002 ? 9 'binding site for residue SO4 A 1002' AC3 Software A SO4 1003 ? 4 'binding site for residue SO4 A 1003' AC4 Software A SO4 1004 ? 3 'binding site for residue SO4 A 1004' AC5 Software A GOL 1006 ? 5 'binding site for residue GOL A 1006' AC6 Software A CXS 1007 ? 9 'binding site for residue CXS A 1007' AC7 Software A GOL 1008 ? 8 'binding site for residue GOL A 1008' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 10 LEU A 46 ? LEU A 616 . ? 1_555 ? 2 AC1 10 ALA A 72 ? ALA A 642 . ? 1_555 ? 3 AC1 10 GLU A 122 ? GLU A 692 . ? 1_555 ? 4 AC1 10 TYR A 123 ? TYR A 693 . ? 1_555 ? 5 AC1 10 CYS A 124 ? CYS A 694 . ? 1_555 ? 6 AC1 10 CYS A 125 ? CYS A 695 . ? 1_555 ? 7 AC1 10 GLY A 127 ? GLY A 697 . ? 1_555 ? 8 AC1 10 ASP A 128 ? ASP A 698 . ? 1_555 ? 9 AC1 10 LEU A 197 ? LEU A 818 . ? 1_555 ? 10 AC1 10 PHE A 209 ? PHE A 830 . ? 1_555 ? 11 AC2 9 GLU A 34 ? GLU A 604 . ? 1_555 ? 12 AC2 9 PHE A 35 ? PHE A 605 . ? 1_555 ? 13 AC2 9 ARG A 37 ? ARG A 607 . ? 1_555 ? 14 AC2 9 CYS A 111 ? CYS A 681 . ? 1_555 ? 15 AC2 9 THR A 112 ? THR A 682 . ? 1_555 ? 16 AC2 9 LEU A 113 ? LEU A 683 . ? 1_555 ? 17 AC2 9 SER A 114 ? SER A 684 . ? 1_555 ? 18 AC2 9 VAL A 223 ? VAL A 844 . ? 3_454 ? 19 AC2 9 GLY A 225 ? GLY A 846 . ? 3_454 ? 20 AC3 4 GLN A 10 ? GLN A 580 . ? 5_444 ? 21 AC3 4 ARG A 134 ? ARG A 704 . ? 1_555 ? 22 AC3 4 ASN A 220 ? ASN A 841 . ? 1_555 ? 23 AC3 4 HOH J . ? HOH A 1139 . ? 1_555 ? 24 AC4 3 TYR A 126 ? TYR A 696 . ? 1_555 ? 25 AC4 3 HIS A 200 ? HIS A 821 . ? 1_555 ? 26 AC4 3 GLY A 201 ? GLY A 822 . ? 1_555 ? 27 AC5 5 LYS A 286 ? LYS A 907 . ? 1_555 ? 28 AC5 5 ALA A 306 ? ALA A 927 . ? 1_555 ? 29 AC5 5 PHE A 307 ? PHE A 928 . ? 1_555 ? 30 AC5 5 ASP A 308 ? ASP A 929 . ? 1_555 ? 31 AC5 5 LYS A 311 ? LYS A 932 . ? 1_555 ? 32 AC6 9 GLN A 10 ? GLN A 580 . ? 5_444 ? 33 AC6 9 PHE A 20 ? PHE A 590 . ? 5_444 ? 34 AC6 9 VAL A 22 ? VAL A 592 . ? 5_444 ? 35 AC6 9 TYR A 27 ? TYR A 597 . ? 5_444 ? 36 AC6 9 ARG A 134 ? ARG A 704 . ? 1_555 ? 37 AC6 9 ARG A 137 ? ARG A 707 . ? 1_555 ? 38 AC6 9 GLY A 264 ? GLY A 885 . ? 1_555 ? 39 AC6 9 VAL A 265 ? VAL A 886 . ? 1_555 ? 40 AC6 9 ASN A 266 ? ASN A 887 . ? 1_555 ? 41 AC7 8 PRO A 272 ? PRO A 893 . ? 7_555 ? 42 AC7 8 ASN A 276 ? ASN A 897 . ? 1_555 ? 43 AC7 8 HOH J . ? HOH A 1102 . ? 1_555 ? 44 AC7 8 HOH J . ? HOH A 1102 . ? 7_555 ? 45 AC7 8 HOH J . ? HOH A 1103 . ? 1_555 ? 46 AC7 8 HOH J . ? HOH A 1103 . ? 7_555 ? 47 AC7 8 HOH J . ? HOH A 1106 . ? 1_555 ? 48 AC7 8 HOH J . ? HOH A 1106 . ? 7_555 ? # _atom_sites.entry_id 6JQR _atom_sites.fract_transf_matrix[1][1] 0.012141 _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] 0.012141 _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] 0.006827 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ARG A 1 1 ? -35.299 6.935 -12.502 1.00 125.37 ? 571 ARG A N 1 ATOM 2 C CA . ARG A 1 1 ? -35.095 7.862 -13.673 1.00 117.25 ? 571 ARG A CA 1 ATOM 3 C C . ARG A 1 1 ? -34.056 7.319 -14.666 1.00 116.17 ? 571 ARG A C 1 ATOM 4 O O . ARG A 1 1 ? -32.971 6.909 -14.246 1.00 109.54 ? 571 ARG A O 1 ATOM 5 C CB . ARG A 1 1 ? -34.669 9.257 -13.197 1.00 113.08 ? 571 ARG A CB 1 ATOM 6 N N . TYR A 1 2 ? -34.389 7.322 -15.965 1.00 110.72 ? 572 TYR A N 1 ATOM 7 C CA . TYR A 1 2 ? -33.499 6.791 -17.016 1.00 102.69 ? 572 TYR A CA 1 ATOM 8 C C . TYR A 1 2 ? -32.314 7.731 -17.275 1.00 93.79 ? 572 TYR A C 1 ATOM 9 O O . TYR A 1 2 ? -32.467 8.959 -17.267 1.00 85.07 ? 572 TYR A O 1 ATOM 10 C CB . TYR A 1 2 ? -34.250 6.526 -18.347 1.00 107.80 ? 572 TYR A CB 1 ATOM 11 C CG . TYR A 1 2 ? -33.329 6.032 -19.458 1.00 107.32 ? 572 TYR A CG 1 ATOM 12 C CD1 . TYR A 1 2 ? -32.826 4.721 -19.444 1.00 114.04 ? 572 TYR A CD1 1 ATOM 13 C CD2 . TYR A 1 2 ? -32.895 6.894 -20.485 1.00 107.36 ? 572 TYR A CD2 1 ATOM 14 C CE1 . TYR A 1 2 ? -31.951 4.269 -20.434 1.00 110.75 ? 572 TYR A CE1 1 ATOM 15 C CE2 . TYR A 1 2 ? -32.016 6.455 -21.479 1.00 101.34 ? 572 TYR A CE2 1 ATOM 16 C CZ . TYR A 1 2 ? -31.548 5.140 -21.451 1.00 108.36 ? 572 TYR A CZ 1 ATOM 17 O OH . TYR A 1 2 ? -30.682 4.678 -22.407 1.00 94.78 ? 572 TYR A OH 1 ATOM 18 N N . GLU A 1 3 ? -31.145 7.132 -17.513 1.00 86.32 ? 573 GLU A N 1 ATOM 19 C CA . GLU A 1 3 ? -29.972 7.855 -17.990 1.00 85.97 ? 573 GLU A CA 1 ATOM 20 C C . GLU A 1 3 ? -29.085 6.936 -18.850 1.00 74.91 ? 573 GLU A C 1 ATOM 21 O O . GLU A 1 3 ? -28.860 5.779 -18.489 1.00 74.10 ? 573 GLU A O 1 ATOM 22 C CB . GLU A 1 3 ? -29.181 8.421 -16.799 1.00 90.39 ? 573 GLU A CB 1 ATOM 23 C CG . GLU A 1 3 ? -28.352 9.655 -17.150 1.00 94.53 ? 573 GLU A CG 1 ATOM 24 C CD . GLU A 1 3 ? -27.618 10.274 -15.964 1.00 98.67 ? 573 GLU A CD 1 ATOM 25 O OE1 . GLU A 1 3 ? -27.410 9.600 -14.930 1.00 95.72 ? 573 GLU A OE1 1 ATOM 26 O OE2 . GLU A 1 3 ? -27.224 11.454 -16.079 1.00 102.46 ? 573 GLU A OE2 1 ATOM 27 N N . SER A 1 4 ? -28.598 7.464 -19.977 1.00 69.69 ? 574 SER A N 1 ATOM 28 C CA . SER A 1 4 ? -27.520 6.840 -20.769 1.00 63.90 ? 574 SER A CA 1 ATOM 29 C C . SER A 1 4 ? -26.204 6.718 -19.943 1.00 59.22 ? 574 SER A C 1 ATOM 30 O O . SER A 1 4 ? -25.877 7.603 -19.146 1.00 57.50 ? 574 SER A O 1 ATOM 31 C CB . SER A 1 4 ? -27.272 7.652 -22.057 1.00 60.24 ? 574 SER A CB 1 ATOM 32 O OG . SER A 1 4 ? -27.012 9.009 -21.791 1.00 71.06 ? 574 SER A OG 1 ATOM 33 N N . GLN A 1 5 ? -25.495 5.606 -20.113 1.00 54.28 ? 575 GLN A N 1 ATOM 34 C CA . GLN A 1 5 ? -24.158 5.405 -19.523 1.00 60.19 ? 575 GLN A CA 1 ATOM 35 C C . GLN A 1 5 ? -22.988 6.025 -20.312 1.00 48.32 ? 575 GLN A C 1 ATOM 36 O O . GLN A 1 5 ? -21.919 6.243 -19.753 1.00 50.86 ? 575 GLN A O 1 ATOM 37 C CB . GLN A 1 5 ? -23.898 3.912 -19.293 1.00 66.91 ? 575 GLN A CB 1 ATOM 38 C CG . GLN A 1 5 ? -24.926 3.213 -18.400 1.00 79.07 ? 575 GLN A CG 1 ATOM 39 C CD . GLN A 1 5 ? -25.052 3.821 -16.994 1.00 90.33 ? 575 GLN A CD 1 ATOM 40 O OE1 . GLN A 1 5 ? -24.053 4.225 -16.375 1.00 86.28 ? 575 GLN A OE1 1 ATOM 41 N NE2 . GLN A 1 5 ? -26.287 3.883 -16.480 1.00 99.95 ? 575 GLN A NE2 1 ATOM 42 N N . LEU A 1 6 ? -23.179 6.279 -21.591 1.00 45.34 ? 576 LEU A N 1 ATOM 43 C CA . LEU A 1 6 ? -22.261 7.078 -22.382 1.00 46.91 ? 576 LEU A CA 1 ATOM 44 C C . LEU A 1 6 ? -22.656 8.521 -22.122 1.00 42.85 ? 576 LEU A C 1 ATOM 45 O O . LEU A 1 6 ? -23.830 8.867 -22.256 1.00 48.15 ? 576 LEU A O 1 ATOM 46 C CB . LEU A 1 6 ? -22.373 6.726 -23.865 1.00 52.75 ? 576 LEU A CB 1 ATOM 47 C CG . LEU A 1 6 ? -21.351 7.379 -24.791 1.00 59.06 ? 576 LEU A CG 1 ATOM 48 C CD1 . LEU A 1 6 ? -19.920 7.002 -24.418 1.00 61.02 ? 576 LEU A CD1 1 ATOM 49 C CD2 . LEU A 1 6 ? -21.634 6.934 -26.210 1.00 66.61 ? 576 LEU A CD2 1 ATOM 50 N N . GLN A 1 7 ? -21.694 9.322 -21.676 1.00 38.91 ? 577 GLN A N 1 ATOM 51 C CA . GLN A 1 7 ? -21.905 10.716 -21.287 1.00 41.37 ? 577 GLN A CA 1 ATOM 52 C C . GLN A 1 7 ? -20.800 11.561 -21.899 1.00 41.74 ? 577 GLN A C 1 ATOM 53 O O . GLN A 1 7 ? -19.628 11.162 -21.882 1.00 39.65 ? 577 GLN A O 1 ATOM 54 C CB . GLN A 1 7 ? -21.823 10.866 -19.756 1.00 44.64 ? 577 GLN A CB 1 ATOM 55 C CG . GLN A 1 7 ? -23.041 10.372 -18.986 1.00 57.60 ? 577 GLN A CG 1 ATOM 56 C CD . GLN A 1 7 ? -24.302 11.174 -19.291 1.00 64.17 ? 577 GLN A CD 1 ATOM 57 O OE1 . GLN A 1 7 ? -24.235 12.391 -19.415 1.00 63.23 ? 577 GLN A OE1 1 ATOM 58 N NE2 . GLN A 1 7 ? -25.449 10.494 -19.444 1.00 65.64 ? 577 GLN A NE2 1 ATOM 59 N N . MET A 1 8 ? -21.171 12.731 -22.411 1.00 40.68 ? 578 MET A N 1 ATOM 60 C CA . MET A 1 8 ? -20.184 13.766 -22.768 1.00 40.74 ? 578 MET A CA 1 ATOM 61 C C . MET A 1 8 ? -19.828 14.554 -21.525 1.00 37.04 ? 578 MET A C 1 ATOM 62 O O . MET A 1 8 ? -20.687 14.784 -20.671 1.00 36.90 ? 578 MET A O 1 ATOM 63 C CB . MET A 1 8 ? -20.725 14.687 -23.855 1.00 44.61 ? 578 MET A CB 1 ATOM 64 C CG . MET A 1 8 ? -19.651 15.535 -24.530 1.00 59.96 ? 578 MET A CG 1 ATOM 65 S SD . MET A 1 8 ? -20.160 16.321 -26.080 1.00 64.92 ? 578 MET A SD 1 ATOM 66 C CE . MET A 1 8 ? -20.549 14.900 -27.098 1.00 51.89 ? 578 MET A CE 1 ATOM 67 N N . VAL A 1 9 ? -18.547 14.922 -21.409 1.00 35.57 ? 579 VAL A N 1 ATOM 68 C CA . VAL A 1 9 ? -18.038 15.714 -20.300 1.00 39.79 ? 579 VAL A CA 1 ATOM 69 C C . VAL A 1 9 ? -17.288 16.938 -20.826 1.00 41.36 ? 579 VAL A C 1 ATOM 70 O O . VAL A 1 9 ? -16.772 16.932 -21.947 1.00 38.54 ? 579 VAL A O 1 ATOM 71 C CB . VAL A 1 9 ? -17.174 14.872 -19.320 1.00 39.23 ? 579 VAL A CB 1 ATOM 72 C CG1 . VAL A 1 9 ? -17.975 13.659 -18.855 1.00 42.41 ? 579 VAL A CG1 1 ATOM 73 C CG2 . VAL A 1 9 ? -15.843 14.431 -19.919 1.00 38.99 ? 579 VAL A CG2 1 ATOM 74 N N . GLN A 1 10 ? -17.237 17.975 -20.009 1.00 43.79 ? 580 GLN A N 1 ATOM 75 C CA . GLN A 1 10 ? -16.375 19.138 -20.267 1.00 46.36 ? 580 GLN A CA 1 ATOM 76 C C . GLN A 1 10 ? -15.449 19.297 -19.087 1.00 44.78 ? 580 GLN A C 1 ATOM 77 O O . GLN A 1 10 ? -15.894 19.414 -17.960 1.00 43.67 ? 580 GLN A O 1 ATOM 78 C CB . GLN A 1 10 ? -17.194 20.406 -20.487 1.00 51.33 ? 580 GLN A CB 1 ATOM 79 C CG . GLN A 1 10 ? -16.350 21.659 -20.757 1.00 55.52 ? 580 GLN A CG 1 ATOM 80 C CD . GLN A 1 10 ? -17.188 22.852 -21.207 1.00 56.82 ? 580 GLN A CD 1 ATOM 81 O OE1 . GLN A 1 10 ? -18.149 22.698 -21.949 1.00 53.83 ? 580 GLN A OE1 1 ATOM 82 N NE2 . GLN A 1 10 ? -16.825 24.050 -20.750 1.00 64.06 ? 580 GLN A NE2 1 ATOM 83 N N . VAL A 1 11 ? -14.158 19.314 -19.370 1.00 51.22 ? 581 VAL A N 1 ATOM 84 C CA . VAL A 1 11 ? -13.125 19.530 -18.364 1.00 60.71 ? 581 VAL A CA 1 ATOM 85 C C . VAL A 1 11 ? -13.112 21.028 -17.973 1.00 68.02 ? 581 VAL A C 1 ATOM 86 O O . VAL A 1 11 ? -13.261 21.890 -18.844 1.00 59.77 ? 581 VAL A O 1 ATOM 87 C CB . VAL A 1 11 ? -11.764 19.001 -18.896 1.00 70.13 ? 581 VAL A CB 1 ATOM 88 C CG1 . VAL A 1 11 ? -10.611 19.393 -17.999 1.00 76.12 ? 581 VAL A CG1 1 ATOM 89 C CG2 . VAL A 1 11 ? -11.825 17.473 -19.037 1.00 66.36 ? 581 VAL A CG2 1 ATOM 90 N N . THR A 1 12 ? -12.977 21.301 -16.666 1.00 69.39 ? 582 THR A N 1 ATOM 91 C CA . THR A 1 12 ? -12.984 22.664 -16.078 1.00 73.54 ? 582 THR A CA 1 ATOM 92 C C . THR A 1 12 ? -11.731 22.956 -15.222 1.00 81.10 ? 582 THR A C 1 ATOM 93 O O . THR A 1 12 ? -11.711 23.913 -14.434 1.00 81.05 ? 582 THR A O 1 ATOM 94 C CB . THR A 1 12 ? -14.245 22.882 -15.196 1.00 73.47 ? 582 THR A CB 1 ATOM 95 O OG1 . THR A 1 12 ? -14.288 21.908 -14.135 1.00 68.07 ? 582 THR A OG1 1 ATOM 96 C CG2 . THR A 1 12 ? -15.500 22.790 -16.028 1.00 72.25 ? 582 THR A CG2 1 ATOM 97 N N . GLY A 1 13 ? -10.678 22.161 -15.409 1.00 78.83 ? 583 GLY A N 1 ATOM 98 C CA . GLY A 1 13 ? -9.495 22.188 -14.547 1.00 72.90 ? 583 GLY A CA 1 ATOM 99 C C . GLY A 1 13 ? -8.687 20.914 -14.714 1.00 71.16 ? 583 GLY A C 1 ATOM 100 O O . GLY A 1 13 ? -9.117 19.997 -15.402 1.00 63.58 ? 583 GLY A O 1 ATOM 101 N N . SER A 1 14 ? -7.538 20.858 -14.048 1.00 70.09 ? 584 SER A N 1 ATOM 102 C CA . SER A 1 14 ? -6.545 19.790 -14.225 1.00 70.55 ? 584 SER A CA 1 ATOM 103 C C . SER A 1 14 ? -6.761 18.531 -13.348 1.00 66.94 ? 584 SER A C 1 ATOM 104 O O . SER A 1 14 ? -6.296 17.455 -13.728 1.00 65.45 ? 584 SER A O 1 ATOM 105 C CB . SER A 1 14 ? -5.128 20.369 -13.987 1.00 76.47 ? 584 SER A CB 1 ATOM 106 O OG . SER A 1 14 ? -4.908 20.726 -12.620 1.00 77.02 ? 584 SER A OG 1 ATOM 107 N N . SER A 1 15 ? -7.404 18.675 -12.177 1.00 64.14 ? 585 SER A N 1 ATOM 108 C CA . SER A 1 15 ? -7.737 17.530 -11.298 1.00 66.25 ? 585 SER A CA 1 ATOM 109 C C . SER A 1 15 ? -8.912 16.665 -11.846 1.00 63.10 ? 585 SER A C 1 ATOM 110 O O . SER A 1 15 ? -9.835 17.180 -12.496 1.00 55.03 ? 585 SER A O 1 ATOM 111 C CB . SER A 1 15 ? -8.058 17.988 -9.863 1.00 69.52 ? 585 SER A CB 1 ATOM 112 O OG . SER A 1 15 ? -6.895 18.413 -9.178 1.00 84.73 ? 585 SER A OG 1 ATOM 113 N N . ASP A 1 16 ? -8.871 15.366 -11.532 1.00 61.01 ? 586 ASP A N 1 ATOM 114 C CA . ASP A 1 16 ? -9.879 14.375 -11.985 1.00 54.85 ? 586 ASP A CA 1 ATOM 115 C C . ASP A 1 16 ? -11.330 14.768 -11.703 1.00 50.53 ? 586 ASP A C 1 ATOM 116 O O . ASP A 1 16 ? -12.184 14.495 -12.535 1.00 45.54 ? 586 ASP A O 1 ATOM 117 C CB . ASP A 1 16 ? -9.634 12.997 -11.346 1.00 57.26 ? 586 ASP A CB 1 ATOM 118 C CG . ASP A 1 16 ? -8.405 12.292 -11.891 1.00 63.22 ? 586 ASP A CG 1 ATOM 119 O OD1 . ASP A 1 16 ? -7.656 12.889 -12.683 1.00 63.30 ? 586 ASP A OD1 1 ATOM 120 O OD2 . ASP A 1 16 ? -8.184 11.126 -11.501 1.00 58.62 ? 586 ASP A OD2 1 ATOM 121 N N . ASN A 1 17 ? -11.596 15.406 -10.552 1.00 50.26 ? 587 ASN A N 1 ATOM 122 C CA . ASN A 1 17 ? -12.964 15.836 -10.209 1.00 52.29 ? 587 ASN A CA 1 ATOM 123 C C . ASN A 1 17 ? -13.447 17.130 -10.893 1.00 51.88 ? 587 ASN A C 1 ATOM 124 O O . ASN A 1 17 ? -14.611 17.485 -10.714 1.00 54.92 ? 587 ASN A O 1 ATOM 125 C CB . ASN A 1 17 ? -13.233 15.838 -8.687 1.00 55.34 ? 587 ASN A CB 1 ATOM 126 C CG . ASN A 1 17 ? -12.386 16.842 -7.907 1.00 61.55 ? 587 ASN A CG 1 ATOM 127 O OD1 . ASN A 1 17 ? -11.655 17.658 -8.464 1.00 61.83 ? 587 ASN A OD1 1 ATOM 128 N ND2 . ASN A 1 17 ? -12.477 16.763 -6.591 1.00 69.77 ? 587 ASN A ND2 1 ATOM 129 N N . GLU A 1 18 ? -12.594 17.792 -11.692 1.00 54.69 ? 588 GLU A N 1 ATOM 130 C CA . GLU A 1 18 ? -12.928 19.075 -12.345 1.00 57.06 ? 588 GLU A CA 1 ATOM 131 C C . GLU A 1 18 ? -13.455 18.820 -13.756 1.00 52.24 ? 588 GLU A C 1 ATOM 132 O O . GLU A 1 18 ? -12.722 18.855 -14.750 1.00 51.71 ? 588 GLU A O 1 ATOM 133 C CB . GLU A 1 18 ? -11.736 20.052 -12.317 1.00 62.51 ? 588 GLU A CB 1 ATOM 134 C CG . GLU A 1 18 ? -11.402 20.529 -10.902 1.00 69.97 ? 588 GLU A CG 1 ATOM 135 C CD . GLU A 1 18 ? -10.099 21.329 -10.797 1.00 80.03 ? 588 GLU A CD 1 ATOM 136 O OE1 . GLU A 1 18 ? -9.049 20.874 -11.304 1.00 83.65 ? 588 GLU A OE1 1 ATOM 137 O OE2 . GLU A 1 18 ? -10.115 22.414 -10.182 1.00 87.27 ? 588 GLU A OE2 1 ATOM 138 N N . TYR A 1 19 ? -14.747 18.513 -13.796 1.00 46.55 ? 589 TYR A N 1 ATOM 139 C CA . TYR A 1 19 ? -15.502 18.333 -15.018 1.00 43.10 ? 589 TYR A CA 1 ATOM 140 C C . TYR A 1 19 ? -16.973 18.390 -14.666 1.00 42.79 ? 589 TYR A C 1 ATOM 141 O O . TYR A 1 19 ? -17.334 18.261 -13.504 1.00 45.41 ? 589 TYR A O 1 ATOM 142 C CB . TYR A 1 19 ? -15.175 16.984 -15.711 1.00 43.01 ? 589 TYR A CB 1 ATOM 143 C CG . TYR A 1 19 ? -15.705 15.775 -14.964 1.00 42.81 ? 589 TYR A CG 1 ATOM 144 C CD1 . TYR A 1 19 ? -14.966 15.203 -13.920 1.00 44.97 ? 589 TYR A CD1 1 ATOM 145 C CD2 . TYR A 1 19 ? -16.970 15.235 -15.253 1.00 41.06 ? 589 TYR A CD2 1 ATOM 146 C CE1 . TYR A 1 19 ? -15.460 14.109 -13.194 1.00 43.74 ? 589 TYR A CE1 1 ATOM 147 C CE2 . TYR A 1 19 ? -17.472 14.148 -14.541 1.00 44.92 ? 589 TYR A CE2 1 ATOM 148 C CZ . TYR A 1 19 ? -16.718 13.590 -13.512 1.00 44.53 ? 589 TYR A CZ 1 ATOM 149 O OH . TYR A 1 19 ? -17.214 12.531 -12.830 1.00 49.25 ? 589 TYR A OH 1 ATOM 150 N N . PHE A 1 20 ? -17.815 18.555 -15.675 1.00 42.59 ? 590 PHE A N 1 ATOM 151 C CA . PHE A 1 20 ? -19.257 18.373 -15.520 1.00 41.66 ? 590 PHE A CA 1 ATOM 152 C C . PHE A 1 20 ? -19.766 17.626 -16.718 1.00 41.16 ? 590 PHE A C 1 ATOM 153 O O . PHE A 1 20 ? -19.063 17.527 -17.737 1.00 44.00 ? 590 PHE A O 1 ATOM 154 C CB . PHE A 1 20 ? -19.977 19.719 -15.318 1.00 48.38 ? 590 PHE A CB 1 ATOM 155 C CG . PHE A 1 20 ? -19.826 20.693 -16.467 1.00 45.85 ? 590 PHE A CG 1 ATOM 156 C CD1 . PHE A 1 20 ? -18.701 21.512 -16.569 1.00 47.15 ? 590 PHE A CD1 1 ATOM 157 C CD2 . PHE A 1 20 ? -20.814 20.802 -17.434 1.00 46.53 ? 590 PHE A CD2 1 ATOM 158 C CE1 . PHE A 1 20 ? -18.561 22.414 -17.621 1.00 46.12 ? 590 PHE A CE1 1 ATOM 159 C CE2 . PHE A 1 20 ? -20.681 21.709 -18.491 1.00 49.79 ? 590 PHE A CE2 1 ATOM 160 C CZ . PHE A 1 20 ? -19.547 22.509 -18.584 1.00 44.97 ? 590 PHE A CZ 1 ATOM 161 N N . TYR A 1 21 ? -20.980 17.103 -16.587 1.00 41.40 ? 591 TYR A N 1 ATOM 162 C CA . TYR A 1 21 ? -21.631 16.320 -17.619 1.00 42.73 ? 591 TYR A CA 1 ATOM 163 C C . TYR A 1 21 ? -22.426 17.274 -18.517 1.00 46.51 ? 591 TYR A C 1 ATOM 164 O O . TYR A 1 21 ? -23.148 18.136 -18.005 1.00 49.75 ? 591 TYR A O 1 ATOM 165 C CB . TYR A 1 21 ? -22.583 15.272 -16.998 1.00 45.07 ? 591 TYR A CB 1 ATOM 166 C CG . TYR A 1 21 ? -21.886 14.200 -16.194 1.00 46.77 ? 591 TYR A CG 1 ATOM 167 C CD1 . TYR A 1 21 ? -21.100 13.235 -16.828 1.00 46.67 ? 591 TYR A CD1 1 ATOM 168 C CD2 . TYR A 1 21 ? -22.000 14.141 -14.799 1.00 57.03 ? 591 TYR A CD2 1 ATOM 169 C CE1 . TYR A 1 21 ? -20.442 12.245 -16.106 1.00 48.30 ? 591 TYR A CE1 1 ATOM 170 C CE2 . TYR A 1 21 ? -21.346 13.145 -14.063 1.00 58.99 ? 591 TYR A CE2 1 ATOM 171 C CZ . TYR A 1 21 ? -20.584 12.187 -14.732 1.00 52.46 ? 591 TYR A CZ 1 ATOM 172 O OH . TYR A 1 21 ? -19.922 11.206 -14.051 1.00 54.43 ? 591 TYR A OH 1 ATOM 173 N N . VAL A 1 22 ? -22.294 17.107 -19.834 1.00 43.38 ? 592 VAL A N 1 ATOM 174 C CA . VAL A 1 22 ? -23.091 17.850 -20.833 1.00 47.15 ? 592 VAL A CA 1 ATOM 175 C C . VAL A 1 22 ? -24.494 17.237 -21.038 1.00 49.64 ? 592 VAL A C 1 ATOM 176 O O . VAL A 1 22 ? -24.628 16.120 -21.531 1.00 53.38 ? 592 VAL A O 1 ATOM 177 C CB . VAL A 1 22 ? -22.370 17.908 -22.190 1.00 48.38 ? 592 VAL A CB 1 ATOM 178 C CG1 . VAL A 1 22 ? -23.215 18.595 -23.275 1.00 46.44 ? 592 VAL A CG1 1 ATOM 179 C CG2 . VAL A 1 22 ? -21.002 18.575 -22.034 1.00 46.68 ? 592 VAL A CG2 1 ATOM 180 N N . ASP A 1 23 ? -25.517 18.003 -20.655 1.00 54.78 ? 593 ASP A N 1 ATOM 181 C CA . ASP A 1 23 ? -26.943 17.715 -20.891 1.00 53.88 ? 593 ASP A CA 1 ATOM 182 C C . ASP A 1 23 ? -27.380 18.375 -22.246 1.00 52.12 ? 593 ASP A C 1 ATOM 183 O O . ASP A 1 23 ? -27.325 19.607 -22.427 1.00 58.94 ? 593 ASP A O 1 ATOM 184 C CB . ASP A 1 23 ? -27.770 18.263 -19.702 1.00 66.53 ? 593 ASP A CB 1 ATOM 185 C CG . ASP A 1 23 ? -29.037 17.458 -19.418 1.00 75.21 ? 593 ASP A CG 1 ATOM 186 O OD1 . ASP A 1 23 ? -29.718 17.048 -20.371 1.00 87.50 ? 593 ASP A OD1 1 ATOM 187 O OD2 . ASP A 1 23 ? -29.355 17.243 -18.228 1.00 80.67 ? 593 ASP A OD2 1 ATOM 188 N N . PHE A 1 24 ? -27.810 17.538 -23.184 1.00 50.54 ? 594 PHE A N 1 ATOM 189 C CA . PHE A 1 24 ? -28.340 17.970 -24.486 1.00 47.10 ? 594 PHE A CA 1 ATOM 190 C C . PHE A 1 24 ? -29.831 18.335 -24.479 1.00 39.81 ? 594 PHE A C 1 ATOM 191 O O . PHE A 1 24 ? -30.383 18.617 -25.524 1.00 44.13 ? 594 PHE A O 1 ATOM 192 C CB . PHE A 1 24 ? -28.122 16.872 -25.505 1.00 54.78 ? 594 PHE A CB 1 ATOM 193 C CG . PHE A 1 24 ? -26.706 16.678 -25.884 1.00 54.31 ? 594 PHE A CG 1 ATOM 194 C CD1 . PHE A 1 24 ? -25.879 15.848 -25.119 1.00 53.09 ? 594 PHE A CD1 1 ATOM 195 C CD2 . PHE A 1 24 ? -26.206 17.265 -27.056 1.00 51.86 ? 594 PHE A CD2 1 ATOM 196 C CE1 . PHE A 1 24 ? -24.561 15.640 -25.503 1.00 56.39 ? 594 PHE A CE1 1 ATOM 197 C CE2 . PHE A 1 24 ? -24.896 17.050 -27.447 1.00 53.66 ? 594 PHE A CE2 1 ATOM 198 C CZ . PHE A 1 24 ? -24.071 16.245 -26.667 1.00 57.82 ? 594 PHE A CZ 1 ATOM 199 N N . ARG A 1 25 ? -30.462 18.346 -23.314 1.00 39.59 ? 595 ARG A N 1 ATOM 200 C CA . ARG A 1 25 ? -31.860 18.635 -23.165 1.00 45.99 ? 595 ARG A CA 1 ATOM 201 C C . ARG A 1 25 ? -32.306 19.970 -23.758 1.00 45.38 ? 595 ARG A C 1 ATOM 202 O O . ARG A 1 25 ? -33.410 20.041 -24.321 1.00 47.12 ? 595 ARG A O 1 ATOM 203 C CB . ARG A 1 25 ? -32.211 18.554 -21.686 1.00 49.79 ? 595 ARG A CB 1 ATOM 204 C CG . ARG A 1 25 ? -33.654 18.755 -21.313 1.00 60.90 ? 595 ARG A CG 1 ATOM 205 C CD . ARG A 1 25 ? -33.952 18.135 -19.945 1.00 77.01 ? 595 ARG A CD 1 ATOM 206 N NE . ARG A 1 25 ? -32.913 18.332 -18.916 1.00 83.59 ? 595 ARG A NE 1 ATOM 207 C CZ . ARG A 1 25 ? -32.970 17.843 -17.669 1.00 91.33 ? 595 ARG A CZ 1 ATOM 208 N NH1 . ARG A 1 25 ? -34.027 17.140 -17.229 1.00 87.41 ? 595 ARG A NH1 1 ATOM 209 N NH2 . ARG A 1 25 ? -31.957 18.081 -16.833 1.00 90.80 ? 595 ARG A NH2 1 ATOM 210 N N . GLU A 1 26 ? -31.450 20.994 -23.620 1.00 41.99 ? 596 GLU A N 1 ATOM 211 C CA . GLU A 1 26 ? -31.716 22.343 -24.144 1.00 41.89 ? 596 GLU A CA 1 ATOM 212 C C . GLU A 1 26 ? -31.306 22.537 -25.608 1.00 39.47 ? 596 GLU A C 1 ATOM 213 O O . GLU A 1 26 ? -31.609 23.559 -26.147 1.00 39.74 ? 596 GLU A O 1 ATOM 214 C CB . GLU A 1 26 ? -31.051 23.425 -23.290 1.00 41.84 ? 596 GLU A CB 1 ATOM 215 C CG . GLU A 1 26 ? -31.317 23.343 -21.794 1.00 43.73 ? 596 GLU A CG 1 ATOM 216 C CD . GLU A 1 26 ? -32.754 23.541 -21.399 1.00 46.45 ? 596 GLU A CD 1 ATOM 217 O OE1 . GLU A 1 26 ? -33.641 23.852 -22.235 1.00 49.77 ? 596 GLU A OE1 1 ATOM 218 O OE2 . GLU A 1 26 ? -32.999 23.401 -20.198 1.00 50.95 ? 596 GLU A OE2 1 ATOM 219 N N . TYR A 1 27 ? -30.615 21.575 -26.212 1.00 36.67 ? 597 TYR A N 1 ATOM 220 C CA . TYR A 1 27 ? -30.205 21.620 -27.620 1.00 40.57 ? 597 TYR A CA 1 ATOM 221 C C . TYR A 1 27 ? -31.334 21.085 -28.501 1.00 40.28 ? 597 TYR A C 1 ATOM 222 O O . TYR A 1 27 ? -32.223 20.375 -28.021 1.00 37.28 ? 597 TYR A O 1 ATOM 223 C CB . TYR A 1 27 ? -28.920 20.801 -27.846 1.00 38.23 ? 597 TYR A CB 1 ATOM 224 C CG . TYR A 1 27 ? -27.682 21.438 -27.246 1.00 37.12 ? 597 TYR A CG 1 ATOM 225 C CD1 . TYR A 1 27 ? -27.466 21.428 -25.867 1.00 38.60 ? 597 TYR A CD1 1 ATOM 226 C CD2 . TYR A 1 27 ? -26.707 22.048 -28.060 1.00 39.04 ? 597 TYR A CD2 1 ATOM 227 C CE1 . TYR A 1 27 ? -26.337 22.022 -25.297 1.00 40.85 ? 597 TYR A CE1 1 ATOM 228 C CE2 . TYR A 1 27 ? -25.557 22.648 -27.501 1.00 41.16 ? 597 TYR A CE2 1 ATOM 229 C CZ . TYR A 1 27 ? -25.378 22.623 -26.118 1.00 42.91 ? 597 TYR A CZ 1 ATOM 230 O OH . TYR A 1 27 ? -24.266 23.185 -25.530 1.00 46.66 ? 597 TYR A OH 1 ATOM 231 N N . GLU A 1 28 ? -31.314 21.469 -29.771 1.00 39.34 ? 598 GLU A N 1 ATOM 232 C CA . GLU A 1 28 ? -32.351 21.034 -30.721 1.00 41.42 ? 598 GLU A CA 1 ATOM 233 C C . GLU A 1 28 ? -31.901 19.813 -31.519 1.00 36.34 ? 598 GLU A C 1 ATOM 234 O O . GLU A 1 28 ? -30.754 19.711 -31.928 1.00 37.81 ? 598 GLU A O 1 ATOM 235 C CB . GLU A 1 28 ? -32.820 22.165 -31.646 1.00 38.66 ? 598 GLU A CB 1 ATOM 236 C CG . GLU A 1 28 ? -33.301 23.446 -30.936 1.00 43.96 ? 598 GLU A CG 1 ATOM 237 C CD . GLU A 1 28 ? -34.454 23.262 -29.951 1.00 44.94 ? 598 GLU A CD 1 ATOM 238 O OE1 . GLU A 1 28 ? -35.279 22.343 -30.151 1.00 46.12 ? 598 GLU A OE1 1 ATOM 239 O OE2 . GLU A 1 28 ? -34.528 24.034 -28.960 1.00 57.46 ? 598 GLU A OE2 1 ATOM 240 N N . TYR A 1 29 ? -32.847 18.905 -31.723 1.00 34.85 ? 599 TYR A N 1 ATOM 241 C CA . TYR A 1 29 ? -32.651 17.663 -32.466 1.00 36.10 ? 599 TYR A CA 1 ATOM 242 C C . TYR A 1 29 ? -32.679 17.957 -33.960 1.00 35.09 ? 599 TYR A C 1 ATOM 243 O O . TYR A 1 29 ? -33.605 18.619 -34.434 1.00 36.85 ? 599 TYR A O 1 ATOM 244 C CB . TYR A 1 29 ? -33.757 16.679 -32.102 1.00 38.58 ? 599 TYR A CB 1 ATOM 245 C CG . TYR A 1 29 ? -33.969 15.518 -33.041 1.00 38.87 ? 599 TYR A CG 1 ATOM 246 C CD1 . TYR A 1 29 ? -32.990 14.541 -33.214 1.00 38.48 ? 599 TYR A CD1 1 ATOM 247 C CD2 . TYR A 1 29 ? -35.183 15.372 -33.735 1.00 39.60 ? 599 TYR A CD2 1 ATOM 248 C CE1 . TYR A 1 29 ? -33.196 13.457 -34.074 1.00 37.75 ? 599 TYR A CE1 1 ATOM 249 C CE2 . TYR A 1 29 ? -35.402 14.294 -34.579 1.00 39.75 ? 599 TYR A CE2 1 ATOM 250 C CZ . TYR A 1 29 ? -34.408 13.334 -34.746 1.00 37.67 ? 599 TYR A CZ 1 ATOM 251 O OH . TYR A 1 29 ? -34.625 12.270 -35.575 1.00 37.86 ? 599 TYR A OH 1 ATOM 252 N N . ASP A 1 30 ? -31.673 17.449 -34.672 1.00 32.44 ? 600 ASP A N 1 ATOM 253 C CA . ASP A 1 30 ? -31.503 17.671 -36.086 1.00 33.96 ? 600 ASP A CA 1 ATOM 254 C C . ASP A 1 30 ? -32.417 16.680 -36.830 1.00 36.30 ? 600 ASP A C 1 ATOM 255 O O . ASP A 1 30 ? -32.177 15.460 -36.799 1.00 35.28 ? 600 ASP A O 1 ATOM 256 C CB . ASP A 1 30 ? -30.035 17.533 -36.488 1.00 31.15 ? 600 ASP A CB 1 ATOM 257 C CG . ASP A 1 30 ? -29.791 17.850 -37.946 1.00 34.39 ? 600 ASP A CG 1 ATOM 258 O OD1 . ASP A 1 30 ? -30.723 17.801 -38.788 1.00 36.66 ? 600 ASP A OD1 1 ATOM 259 O OD2 . ASP A 1 30 ? -28.651 18.169 -38.275 1.00 41.66 ? 600 ASP A OD2 1 ATOM 260 N N . LEU A 1 31 ? -33.413 17.232 -37.534 1.00 33.63 ? 601 LEU A N 1 ATOM 261 C CA . LEU A 1 31 ? -34.480 16.448 -38.189 1.00 34.12 ? 601 LEU A CA 1 ATOM 262 C C . LEU A 1 31 ? -34.054 15.618 -39.373 1.00 33.35 ? 601 LEU A C 1 ATOM 263 O O . LEU A 1 31 ? -34.832 14.753 -39.812 1.00 37.49 ? 601 LEU A O 1 ATOM 264 C CB . LEU A 1 31 ? -35.702 17.325 -38.565 1.00 34.14 ? 601 LEU A CB 1 ATOM 265 C CG . LEU A 1 31 ? -36.412 17.975 -37.380 1.00 38.84 ? 601 LEU A CG 1 ATOM 266 C CD1 . LEU A 1 31 ? -37.301 19.131 -37.818 1.00 45.01 ? 601 LEU A CD1 1 ATOM 267 C CD2 . LEU A 1 31 ? -37.223 16.965 -36.582 1.00 41.50 ? 601 LEU A CD2 1 ATOM 268 N N . LYS A 1 32 ? -32.841 15.818 -39.890 1.00 35.21 ? 602 LYS A N 1 ATOM 269 C CA . LYS A 1 32 ? -32.298 14.903 -40.924 1.00 37.75 ? 602 LYS A CA 1 ATOM 270 C C . LYS A 1 32 ? -32.145 13.434 -40.459 1.00 37.50 ? 602 LYS A C 1 ATOM 271 O O . LYS A 1 32 ? -32.008 12.542 -41.293 1.00 36.09 ? 602 LYS A O 1 ATOM 272 C CB . LYS A 1 32 ? -30.968 15.430 -41.506 1.00 39.80 ? 602 LYS A CB 1 ATOM 273 C CG . LYS A 1 32 ? -29.738 15.191 -40.631 1.00 48.63 ? 602 LYS A CG 1 ATOM 274 C CD . LYS A 1 32 ? -28.489 15.810 -41.232 1.00 53.13 ? 602 LYS A CD 1 ATOM 275 C CE . LYS A 1 32 ? -27.280 15.479 -40.377 1.00 56.94 ? 602 LYS A CE 1 ATOM 276 N NZ . LYS A 1 32 ? -26.074 16.170 -40.896 1.00 66.07 ? 602 LYS A NZ 1 ATOM 277 N N . TRP A 1 33 ? -32.092 13.199 -39.142 1.00 33.98 ? 603 TRP A N 1 ATOM 278 C CA . TRP A 1 33 ? -32.080 11.837 -38.590 1.00 38.83 ? 603 TRP A CA 1 ATOM 279 C C . TRP A 1 33 ? -33.453 11.139 -38.573 1.00 38.92 ? 603 TRP A C 1 ATOM 280 O O . TRP A 1 33 ? -33.505 9.925 -38.381 1.00 39.56 ? 603 TRP A O 1 ATOM 281 C CB . TRP A 1 33 ? -31.452 11.841 -37.187 1.00 36.48 ? 603 TRP A CB 1 ATOM 282 C CG . TRP A 1 33 ? -29.997 12.199 -37.218 1.00 37.45 ? 603 TRP A CG 1 ATOM 283 C CD1 . TRP A 1 33 ? -29.436 13.445 -37.060 1.00 35.05 ? 603 TRP A CD1 1 ATOM 284 C CD2 . TRP A 1 33 ? -28.905 11.289 -37.411 1.00 38.41 ? 603 TRP A CD2 1 ATOM 285 N NE1 . TRP A 1 33 ? -28.069 13.363 -37.169 1.00 36.39 ? 603 TRP A NE1 1 ATOM 286 C CE2 . TRP A 1 33 ? -27.711 12.053 -37.370 1.00 38.97 ? 603 TRP A CE2 1 ATOM 287 C CE3 . TRP A 1 33 ? -28.820 9.911 -37.617 1.00 37.72 ? 603 TRP A CE3 1 ATOM 288 C CZ2 . TRP A 1 33 ? -26.434 11.469 -37.517 1.00 39.96 ? 603 TRP A CZ2 1 ATOM 289 C CZ3 . TRP A 1 33 ? -27.556 9.330 -37.771 1.00 45.18 ? 603 TRP A CZ3 1 ATOM 290 C CH2 . TRP A 1 33 ? -26.372 10.117 -37.717 1.00 42.30 ? 603 TRP A CH2 1 ATOM 291 N N . GLU A 1 34 ? -34.544 11.885 -38.789 1.00 36.70 ? 604 GLU A N 1 ATOM 292 C CA . GLU A 1 34 ? -35.896 11.352 -38.665 1.00 37.60 ? 604 GLU A CA 1 ATOM 293 C C . GLU A 1 34 ? -36.214 10.354 -39.786 1.00 43.19 ? 604 GLU A C 1 ATOM 294 O O . GLU A 1 34 ? -36.008 10.660 -40.975 1.00 41.76 ? 604 GLU A O 1 ATOM 295 C CB . GLU A 1 34 ? -36.931 12.480 -38.651 1.00 41.30 ? 604 GLU A CB 1 ATOM 296 C CG . GLU A 1 34 ? -38.301 12.084 -38.114 1.00 44.41 ? 604 GLU A CG 1 ATOM 297 C CD . GLU A 1 34 ? -38.365 11.849 -36.610 1.00 44.67 ? 604 GLU A CD 1 ATOM 298 O OE1 . GLU A 1 34 ? -37.427 12.187 -35.861 1.00 42.21 ? 604 GLU A OE1 1 ATOM 299 O OE2 . GLU A 1 34 ? -39.391 11.296 -36.154 1.00 42.85 ? 604 GLU A OE2 1 ATOM 300 N N . PHE A 1 35 ? -36.734 9.190 -39.380 1.00 39.70 ? 605 PHE A N 1 ATOM 301 C CA . PHE A 1 35 ? -37.010 8.042 -40.238 1.00 44.76 ? 605 PHE A CA 1 ATOM 302 C C . PHE A 1 35 ? -38.489 7.655 -40.080 1.00 45.52 ? 605 PHE A C 1 ATOM 303 O O . PHE A 1 35 ? -39.023 7.786 -38.977 1.00 48.03 ? 605 PHE A O 1 ATOM 304 C CB . PHE A 1 35 ? -36.101 6.890 -39.806 1.00 44.35 ? 605 PHE A CB 1 ATOM 305 C CG . PHE A 1 35 ? -36.191 5.667 -40.677 1.00 45.06 ? 605 PHE A CG 1 ATOM 306 C CD1 . PHE A 1 35 ? -35.569 5.638 -41.928 1.00 47.44 ? 605 PHE A CD1 1 ATOM 307 C CD2 . PHE A 1 35 ? -36.866 4.517 -40.232 1.00 43.77 ? 605 PHE A CD2 1 ATOM 308 C CE1 . PHE A 1 35 ? -35.640 4.493 -42.728 1.00 51.25 ? 605 PHE A CE1 1 ATOM 309 C CE2 . PHE A 1 35 ? -36.936 3.375 -41.025 1.00 45.27 ? 605 PHE A CE2 1 ATOM 310 C CZ . PHE A 1 35 ? -36.326 3.364 -42.273 1.00 49.18 ? 605 PHE A CZ 1 ATOM 311 N N . PRO A 1 36 ? -39.160 7.192 -41.154 1.00 49.01 ? 606 PRO A N 1 ATOM 312 C CA . PRO A 1 36 ? -40.595 6.866 -40.990 1.00 51.28 ? 606 PRO A CA 1 ATOM 313 C C . PRO A 1 36 ? -40.828 5.573 -40.192 1.00 50.35 ? 606 PRO A C 1 ATOM 314 O O . PRO A 1 36 ? -40.258 4.555 -40.558 1.00 51.00 ? 606 PRO A O 1 ATOM 315 C CB . PRO A 1 36 ? -41.109 6.722 -42.443 1.00 53.88 ? 606 PRO A CB 1 ATOM 316 C CG . PRO A 1 36 ? -39.960 7.049 -43.342 1.00 53.89 ? 606 PRO A CG 1 ATOM 317 C CD . PRO A 1 36 ? -38.707 6.886 -42.527 1.00 52.52 ? 606 PRO A CD 1 ATOM 318 N N . ARG A 1 37 ? -41.619 5.652 -39.108 1.00 54.20 ? 607 ARG A N 1 ATOM 319 C CA . ARG A 1 37 ? -42.117 4.475 -38.290 1.00 60.03 ? 607 ARG A CA 1 ATOM 320 C C . ARG A 1 37 ? -42.480 3.250 -39.103 1.00 55.45 ? 607 ARG A C 1 ATOM 321 O O . ARG A 1 37 ? -42.050 2.145 -38.795 1.00 59.17 ? 607 ARG A O 1 ATOM 322 C CB . ARG A 1 37 ? -43.414 4.767 -37.483 1.00 66.47 ? 607 ARG A CB 1 ATOM 323 C CG . ARG A 1 37 ? -43.487 6.104 -36.832 1.00 71.49 ? 607 ARG A CG 1 ATOM 324 C CD . ARG A 1 37 ? -44.459 6.226 -35.677 1.00 71.08 ? 607 ARG A CD 1 ATOM 325 N NE . ARG A 1 37 ? -43.803 7.205 -34.820 1.00 71.08 ? 607 ARG A NE 1 ATOM 326 C CZ . ARG A 1 37 ? -43.014 6.948 -33.776 1.00 63.13 ? 607 ARG A CZ 1 ATOM 327 N NH1 . ARG A 1 37 ? -42.845 5.708 -33.290 1.00 58.95 ? 607 ARG A NH1 1 ATOM 328 N NH2 . ARG A 1 37 ? -42.427 7.980 -33.160 1.00 61.52 ? 607 ARG A NH2 1 ATOM 329 N N . GLU A 1 38 ? -43.296 3.474 -40.128 1.00 57.86 ? 608 GLU A N 1 ATOM 330 C CA . GLU A 1 38 ? -43.869 2.399 -40.953 1.00 63.66 ? 608 GLU A CA 1 ATOM 331 C C . GLU A 1 38 ? -42.846 1.642 -41.819 1.00 61.58 ? 608 GLU A C 1 ATOM 332 O O . GLU A 1 38 ? -43.151 0.564 -42.303 1.00 61.62 ? 608 GLU A O 1 ATOM 333 C CB . GLU A 1 38 ? -45.067 2.906 -41.786 1.00 69.86 ? 608 GLU A CB 1 ATOM 334 C CG . GLU A 1 38 ? -44.752 3.874 -42.924 1.00 77.67 ? 608 GLU A CG 1 ATOM 335 N N . ASN A 1 39 ? -41.645 2.205 -41.997 1.00 57.79 ? 609 ASN A N 1 ATOM 336 C CA . ASN A 1 39 ? -40.506 1.477 -42.581 1.00 58.91 ? 609 ASN A CA 1 ATOM 337 C C . ASN A 1 39 ? -39.759 0.539 -41.596 1.00 58.65 ? 609 ASN A C 1 ATOM 338 O O . ASN A 1 39 ? -38.752 -0.060 -41.980 1.00 55.26 ? 609 ASN A O 1 ATOM 339 C CB . ASN A 1 39 ? -39.524 2.472 -43.236 1.00 59.42 ? 609 ASN A CB 1 ATOM 340 C CG . ASN A 1 39 ? -40.083 3.115 -44.505 1.00 63.13 ? 609 ASN A CG 1 ATOM 341 O OD1 . ASN A 1 39 ? -41.294 3.148 -44.735 1.00 63.50 ? 609 ASN A OD1 1 ATOM 342 N ND2 . ASN A 1 39 ? -39.186 3.645 -45.331 1.00 66.47 ? 609 ASN A ND2 1 ATOM 343 N N . LEU A 1 40 ? -40.227 0.424 -40.347 1.00 58.96 ? 610 LEU A N 1 ATOM 344 C CA . LEU A 1 40 ? -39.770 -0.605 -39.402 1.00 59.67 ? 610 LEU A CA 1 ATOM 345 C C . LEU A 1 40 ? -40.759 -1.751 -39.324 1.00 60.65 ? 610 LEU A C 1 ATOM 346 O O . LEU A 1 40 ? -41.933 -1.520 -39.041 1.00 64.72 ? 610 LEU A O 1 ATOM 347 C CB . LEU A 1 40 ? -39.617 -0.017 -38.004 1.00 56.94 ? 610 LEU A CB 1 ATOM 348 C CG . LEU A 1 40 ? -38.623 1.128 -37.857 1.00 54.61 ? 610 LEU A CG 1 ATOM 349 C CD1 . LEU A 1 40 ? -38.678 1.639 -36.426 1.00 53.37 ? 610 LEU A CD1 1 ATOM 350 C CD2 . LEU A 1 40 ? -37.207 0.684 -38.211 1.00 51.42 ? 610 LEU A CD2 1 ATOM 351 N N . GLU A 1 41 ? -40.282 -2.970 -39.573 1.00 61.90 ? 611 GLU A N 1 ATOM 352 C CA . GLU A 1 41 ? -41.048 -4.203 -39.322 1.00 70.69 ? 611 GLU A CA 1 ATOM 353 C C . GLU A 1 41 ? -40.360 -4.859 -38.121 1.00 68.35 ? 611 GLU A C 1 ATOM 354 O O . GLU A 1 41 ? -39.239 -5.352 -38.241 1.00 61.39 ? 611 GLU A O 1 ATOM 355 C CB . GLU A 1 41 ? -41.056 -5.110 -40.558 1.00 73.83 ? 611 GLU A CB 1 ATOM 356 C CG . GLU A 1 41 ? -41.988 -6.316 -40.461 1.00 84.94 ? 611 GLU A CG 1 ATOM 357 N N . PHE A 1 42 ? -41.019 -4.801 -36.961 1.00 69.34 ? 612 PHE A N 1 ATOM 358 C CA . PHE A 1 42 ? -40.482 -5.350 -35.714 1.00 69.36 ? 612 PHE A CA 1 ATOM 359 C C . PHE A 1 42 ? -40.454 -6.887 -35.665 1.00 73.13 ? 612 PHE A C 1 ATOM 360 O O . PHE A 1 42 ? -41.461 -7.539 -35.922 1.00 72.01 ? 612 PHE A O 1 ATOM 361 C CB . PHE A 1 42 ? -41.244 -4.784 -34.503 1.00 70.29 ? 612 PHE A CB 1 ATOM 362 C CG . PHE A 1 42 ? -40.912 -3.353 -34.227 1.00 67.63 ? 612 PHE A CG 1 ATOM 363 C CD1 . PHE A 1 42 ? -39.661 -3.017 -33.690 1.00 62.39 ? 612 PHE A CD1 1 ATOM 364 C CD2 . PHE A 1 42 ? -41.811 -2.331 -34.534 1.00 67.54 ? 612 PHE A CD2 1 ATOM 365 C CE1 . PHE A 1 42 ? -39.315 -1.689 -33.458 1.00 61.88 ? 612 PHE A CE1 1 ATOM 366 C CE2 . PHE A 1 42 ? -41.474 -0.998 -34.295 1.00 66.71 ? 612 PHE A CE2 1 ATOM 367 C CZ . PHE A 1 42 ? -40.224 -0.676 -33.752 1.00 65.48 ? 612 PHE A CZ 1 ATOM 368 N N . GLY A 1 43 ? -39.276 -7.431 -35.350 1.00 70.76 ? 613 GLY A N 1 ATOM 369 C CA . GLY A 1 43 ? -39.077 -8.833 -35.032 1.00 75.26 ? 613 GLY A CA 1 ATOM 370 C C . GLY A 1 43 ? -39.050 -8.987 -33.518 1.00 75.44 ? 613 GLY A C 1 ATOM 371 O O . GLY A 1 43 ? -39.885 -8.377 -32.802 1.00 77.98 ? 613 GLY A O 1 ATOM 372 N N . LYS A 1 44 ? -38.081 -9.775 -33.034 1.00 73.85 ? 614 LYS A N 1 ATOM 373 C CA . LYS A 1 44 ? -38.026 -10.205 -31.627 1.00 78.14 ? 614 LYS A CA 1 ATOM 374 C C . LYS A 1 44 ? -37.353 -9.191 -30.697 1.00 70.67 ? 614 LYS A C 1 ATOM 375 O O . LYS A 1 44 ? -36.591 -8.310 -31.138 1.00 64.39 ? 614 LYS A O 1 ATOM 376 C CB . LYS A 1 44 ? -37.321 -11.566 -31.499 1.00 86.98 ? 614 LYS A CB 1 ATOM 377 C CG . LYS A 1 44 ? -38.092 -12.728 -32.110 1.00 98.06 ? 614 LYS A CG 1 ATOM 378 N N . VAL A 1 45 ? -37.640 -9.353 -29.404 1.00 69.67 ? 615 VAL A N 1 ATOM 379 C CA . VAL A 1 45 ? -37.041 -8.564 -28.331 1.00 68.75 ? 615 VAL A CA 1 ATOM 380 C C . VAL A 1 45 ? -35.634 -9.109 -28.126 1.00 69.67 ? 615 VAL A C 1 ATOM 381 O O . VAL A 1 45 ? -35.456 -10.324 -28.003 1.00 68.02 ? 615 VAL A O 1 ATOM 382 C CB . VAL A 1 45 ? -37.821 -8.660 -26.989 1.00 77.35 ? 615 VAL A CB 1 ATOM 383 C CG1 . VAL A 1 45 ? -37.194 -7.759 -25.917 1.00 77.05 ? 615 VAL A CG1 1 ATOM 384 C CG2 . VAL A 1 45 ? -39.290 -8.276 -27.169 1.00 82.72 ? 615 VAL A CG2 1 ATOM 385 N N . LEU A 1 46 ? -34.657 -8.197 -28.091 1.00 67.18 ? 616 LEU A N 1 ATOM 386 C CA . LEU A 1 46 ? -33.240 -8.507 -27.835 1.00 67.45 ? 616 LEU A CA 1 ATOM 387 C C . LEU A 1 46 ? -32.850 -8.349 -26.365 1.00 68.97 ? 616 LEU A C 1 ATOM 388 O O . LEU A 1 46 ? -32.001 -9.083 -25.875 1.00 68.65 ? 616 LEU A O 1 ATOM 389 C CB . LEU A 1 46 ? -32.339 -7.629 -28.718 1.00 60.49 ? 616 LEU A CB 1 ATOM 390 C CG . LEU A 1 46 ? -32.554 -7.836 -30.226 1.00 60.18 ? 616 LEU A CG 1 ATOM 391 C CD1 . LEU A 1 46 ? -31.806 -6.771 -30.991 1.00 53.85 ? 616 LEU A CD1 1 ATOM 392 C CD2 . LEU A 1 46 ? -32.150 -9.243 -30.700 1.00 63.06 ? 616 LEU A CD2 1 ATOM 393 N N . GLY A 1 47 ? -33.434 -7.368 -25.685 1.00 72.53 ? 617 GLY A N 1 ATOM 394 C CA . GLY A 1 47 ? -33.338 -7.263 -24.232 1.00 73.96 ? 617 GLY A CA 1 ATOM 395 C C . GLY A 1 47 ? -34.301 -6.249 -23.642 1.00 78.41 ? 617 GLY A C 1 ATOM 396 O O . GLY A 1 47 ? -34.759 -5.341 -24.342 1.00 74.54 ? 617 GLY A O 1 ATOM 397 N N . SER A 1 48 ? -34.592 -6.420 -22.351 1.00 88.62 ? 618 SER A N 1 ATOM 398 C CA . SER A 1 48 ? -35.442 -5.516 -21.558 1.00 91.27 ? 618 SER A CA 1 ATOM 399 C C . SER A 1 48 ? -34.731 -5.088 -20.271 1.00 90.02 ? 618 SER A C 1 ATOM 400 O O . SER A 1 48 ? -34.015 -5.878 -19.661 1.00 87.91 ? 618 SER A O 1 ATOM 401 C CB . SER A 1 48 ? -36.754 -6.205 -21.185 1.00 94.40 ? 618 SER A CB 1 ATOM 402 O OG . SER A 1 48 ? -37.474 -6.563 -22.344 1.00 93.32 ? 618 SER A OG 1 ATOM 403 N N . GLY A 1 49 ? -34.905 -3.820 -19.903 1.00 94.69 ? 619 GLY A N 1 ATOM 404 C CA . GLY A 1 49 ? -34.633 -3.318 -18.556 1.00 96.85 ? 619 GLY A CA 1 ATOM 405 C C . GLY A 1 49 ? -35.964 -2.993 -17.910 1.00 101.47 ? 619 GLY A C 1 ATOM 406 O O . GLY A 1 49 ? -37.017 -3.491 -18.342 1.00 98.11 ? 619 GLY A O 1 ATOM 407 N N . ALA A 1 50 ? -35.912 -2.160 -16.873 1.00 104.83 ? 620 ALA A N 1 ATOM 408 C CA . ALA A 1 50 ? -37.120 -1.640 -16.219 1.00 112.23 ? 620 ALA A CA 1 ATOM 409 C C . ALA A 1 50 ? -37.787 -0.579 -17.100 1.00 110.15 ? 620 ALA A C 1 ATOM 410 O O . ALA A 1 50 ? -38.966 -0.710 -17.452 1.00 108.86 ? 620 ALA A O 1 ATOM 411 C CB . ALA A 1 50 ? -36.783 -1.059 -14.855 1.00 114.74 ? 620 ALA A CB 1 ATOM 412 N N . PHE A 1 51 ? -37.009 0.443 -17.472 1.00 105.66 ? 621 PHE A N 1 ATOM 413 C CA . PHE A 1 51 ? -37.506 1.617 -18.214 1.00 98.92 ? 621 PHE A CA 1 ATOM 414 C C . PHE A 1 51 ? -37.627 1.476 -19.752 1.00 89.72 ? 621 PHE A C 1 ATOM 415 O O . PHE A 1 51 ? -38.078 2.418 -20.406 1.00 84.68 ? 621 PHE A O 1 ATOM 416 C CB . PHE A 1 51 ? -36.644 2.843 -17.865 1.00 96.03 ? 621 PHE A CB 1 ATOM 417 N N . GLY A 1 52 ? -37.255 0.330 -20.332 1.00 83.93 ? 622 GLY A N 1 ATOM 418 C CA . GLY A 1 52 ? -37.355 0.146 -21.787 1.00 76.14 ? 622 GLY A CA 1 ATOM 419 C C . GLY A 1 52 ? -36.892 -1.186 -22.355 1.00 75.62 ? 622 GLY A C 1 ATOM 420 O O . GLY A 1 52 ? -36.661 -2.141 -21.615 1.00 79.42 ? 622 GLY A O 1 ATOM 421 N N . LYS A 1 53 ? -36.766 -1.238 -23.682 1.00 70.70 ? 623 LYS A N 1 ATOM 422 C CA . LYS A 1 53 ? -36.359 -2.460 -24.401 1.00 65.45 ? 623 LYS A CA 1 ATOM 423 C C . LYS A 1 53 ? -35.654 -2.172 -25.724 1.00 60.87 ? 623 LYS A C 1 ATOM 424 O O . LYS A 1 53 ? -35.781 -1.080 -26.291 1.00 60.23 ? 623 LYS A O 1 ATOM 425 C CB . LYS A 1 53 ? -37.557 -3.405 -24.622 1.00 70.22 ? 623 LYS A CB 1 ATOM 426 C CG . LYS A 1 53 ? -38.828 -2.755 -25.154 1.00 73.42 ? 623 LYS A CG 1 ATOM 427 C CD . LYS A 1 53 ? -39.932 -3.776 -25.416 1.00 75.49 ? 623 LYS A CD 1 ATOM 428 N N . VAL A 1 54 ? -34.882 -3.159 -26.173 1.00 57.68 ? 624 VAL A N 1 ATOM 429 C CA . VAL A 1 54 ? -34.216 -3.144 -27.470 1.00 52.94 ? 624 VAL A CA 1 ATOM 430 C C . VAL A 1 54 ? -34.807 -4.291 -28.276 1.00 56.09 ? 624 VAL A C 1 ATOM 431 O O . VAL A 1 54 ? -34.781 -5.450 -27.829 1.00 56.25 ? 624 VAL A O 1 ATOM 432 C CB . VAL A 1 54 ? -32.698 -3.300 -27.360 1.00 50.70 ? 624 VAL A CB 1 ATOM 433 C CG1 . VAL A 1 54 ? -32.023 -3.054 -28.712 1.00 49.09 ? 624 VAL A CG1 1 ATOM 434 C CG2 . VAL A 1 54 ? -32.157 -2.304 -26.345 1.00 53.48 ? 624 VAL A CG2 1 ATOM 435 N N . MET A 1 55 ? -35.337 -3.943 -29.452 1.00 54.83 ? 625 MET A N 1 ATOM 436 C CA . MET A 1 55 ? -35.995 -4.866 -30.362 1.00 58.27 ? 625 MET A CA 1 ATOM 437 C C . MET A 1 55 ? -35.285 -4.906 -31.710 1.00 54.21 ? 625 MET A C 1 ATOM 438 O O . MET A 1 55 ? -34.862 -3.886 -32.236 1.00 55.38 ? 625 MET A O 1 ATOM 439 C CB . MET A 1 55 ? -37.462 -4.461 -30.543 1.00 64.19 ? 625 MET A CB 1 ATOM 440 C CG . MET A 1 55 ? -38.350 -4.960 -29.409 1.00 74.07 ? 625 MET A CG 1 ATOM 441 S SD . MET A 1 55 ? -40.083 -4.518 -29.557 1.00 86.40 ? 625 MET A SD 1 ATOM 442 C CE . MET A 1 55 ? -40.658 -5.825 -30.641 1.00 87.07 ? 625 MET A CE 1 ATOM 443 N N . ASN A 1 56 ? -35.157 -6.108 -32.254 1.00 55.72 ? 626 ASN A N 1 ATOM 444 C CA . ASN A 1 56 ? -34.754 -6.317 -33.631 1.00 57.40 ? 626 ASN A CA 1 ATOM 445 C C . ASN A 1 56 ? -35.859 -5.794 -34.562 1.00 59.44 ? 626 ASN A C 1 ATOM 446 O O . ASN A 1 56 ? -37.053 -5.845 -34.221 1.00 57.85 ? 626 ASN A O 1 ATOM 447 C CB . ASN A 1 56 ? -34.524 -7.822 -33.892 1.00 63.33 ? 626 ASN A CB 1 ATOM 448 C CG . ASN A 1 56 ? -34.173 -8.129 -35.339 1.00 65.45 ? 626 ASN A CG 1 ATOM 449 O OD1 . ASN A 1 56 ? -34.954 -8.759 -36.037 1.00 75.79 ? 626 ASN A OD1 1 ATOM 450 N ND2 . ASN A 1 56 ? -33.023 -7.641 -35.806 1.00 65.60 ? 626 ASN A ND2 1 ATOM 451 N N . ALA A 1 57 ? -35.447 -5.281 -35.717 1.00 54.38 ? 627 ALA A N 1 ATOM 452 C CA . ALA A 1 57 ? -36.380 -4.958 -36.797 1.00 57.64 ? 627 ALA A CA 1 ATOM 453 C C . ALA A 1 57 ? -35.696 -5.004 -38.148 1.00 54.33 ? 627 ALA A C 1 ATOM 454 O O . ALA A 1 57 ? -34.466 -4.928 -38.237 1.00 52.99 ? 627 ALA A O 1 ATOM 455 C CB . ALA A 1 57 ? -37.005 -3.588 -36.566 1.00 56.18 ? 627 ALA A CB 1 ATOM 456 N N . THR A 1 58 ? -36.510 -5.164 -39.187 1.00 59.21 ? 628 THR A N 1 ATOM 457 C CA . THR A 1 58 ? -36.087 -4.902 -40.564 1.00 63.27 ? 628 THR A CA 1 ATOM 458 C C . THR A 1 58 ? -36.407 -3.425 -40.863 1.00 57.18 ? 628 THR A C 1 ATOM 459 O O . THR A 1 58 ? -37.509 -2.951 -40.567 1.00 56.58 ? 628 THR A O 1 ATOM 460 C CB . THR A 1 58 ? -36.748 -5.890 -41.537 1.00 67.71 ? 628 THR A CB 1 ATOM 461 O OG1 . THR A 1 58 ? -36.306 -7.204 -41.189 1.00 68.72 ? 628 THR A OG1 1 ATOM 462 C CG2 . THR A 1 58 ? -36.337 -5.625 -42.988 1.00 73.09 ? 628 THR A CG2 1 ATOM 463 N N . ALA A 1 59 ? -35.419 -2.703 -41.393 1.00 55.67 ? 629 ALA A N 1 ATOM 464 C CA . ALA A 1 59 ? -35.565 -1.285 -41.753 1.00 55.41 ? 629 ALA A CA 1 ATOM 465 C C . ALA A 1 59 ? -35.493 -1.180 -43.280 1.00 58.59 ? 629 ALA A C 1 ATOM 466 O O . ALA A 1 59 ? -34.472 -1.552 -43.880 1.00 57.25 ? 629 ALA A O 1 ATOM 467 C CB . ALA A 1 59 ? -34.486 -0.434 -41.101 1.00 49.11 ? 629 ALA A CB 1 ATOM 468 N N . TYR A 1 60 ? -36.572 -0.670 -43.882 1.00 60.87 ? 630 TYR A N 1 ATOM 469 C CA . TYR A 1 60 ? -36.713 -0.534 -45.350 1.00 71.28 ? 630 TYR A CA 1 ATOM 470 C C . TYR A 1 60 ? -36.228 0.872 -45.747 1.00 66.45 ? 630 TYR A C 1 ATOM 471 O O . TYR A 1 60 ? -36.742 1.882 -45.264 1.00 61.13 ? 630 TYR A O 1 ATOM 472 C CB . TYR A 1 60 ? -38.168 -0.809 -45.796 1.00 73.60 ? 630 TYR A CB 1 ATOM 473 C CG . TYR A 1 60 ? -38.614 -2.254 -45.525 1.00 90.12 ? 630 TYR A CG 1 ATOM 474 C CD1 . TYR A 1 60 ? -38.937 -2.687 -44.220 1.00 89.20 ? 630 TYR A CD1 1 ATOM 475 C CD2 . TYR A 1 60 ? -38.712 -3.206 -46.569 1.00 103.55 ? 630 TYR A CD2 1 ATOM 476 C CE1 . TYR A 1 60 ? -39.330 -4.003 -43.959 1.00 95.60 ? 630 TYR A CE1 1 ATOM 477 C CE2 . TYR A 1 60 ? -39.103 -4.536 -46.312 1.00 102.21 ? 630 TYR A CE2 1 ATOM 478 C CZ . TYR A 1 60 ? -39.411 -4.931 -45.003 1.00 97.58 ? 630 TYR A CZ 1 ATOM 479 O OH . TYR A 1 60 ? -39.800 -6.222 -44.701 1.00 88.96 ? 630 TYR A OH 1 ATOM 480 N N . GLY A 1 61 ? -35.181 0.920 -46.564 1.00 69.88 ? 631 GLY A N 1 ATOM 481 C CA . GLY A 1 61 ? -34.652 2.175 -47.096 1.00 67.31 ? 631 GLY A CA 1 ATOM 482 C C . GLY A 1 61 ? -33.855 3.064 -46.168 1.00 64.09 ? 631 GLY A C 1 ATOM 483 O O . GLY A 1 61 ? -33.721 4.254 -46.447 1.00 74.29 ? 631 GLY A O 1 ATOM 484 N N . ILE A 1 62 ? -33.301 2.513 -45.088 1.00 60.42 ? 632 ILE A N 1 ATOM 485 C CA . ILE A 1 62 ? -32.470 3.299 -44.161 1.00 58.11 ? 632 ILE A CA 1 ATOM 486 C C . ILE A 1 62 ? -31.004 3.517 -44.600 1.00 63.13 ? 632 ILE A C 1 ATOM 487 O O . ILE A 1 62 ? -30.375 4.473 -44.132 1.00 63.60 ? 632 ILE A O 1 ATOM 488 C CB . ILE A 1 62 ? -32.556 2.749 -42.707 1.00 55.53 ? 632 ILE A CB 1 ATOM 489 C CG1 . ILE A 1 62 ? -32.180 3.830 -41.691 1.00 51.94 ? 632 ILE A CG1 1 ATOM 490 C CG2 . ILE A 1 62 ? -31.684 1.509 -42.500 1.00 55.74 ? 632 ILE A CG2 1 ATOM 491 C CD1 . ILE A 1 62 ? -32.699 3.557 -40.305 1.00 53.02 ? 632 ILE A CD1 1 ATOM 492 N N . SER A 1 63 ? -30.474 2.665 -45.485 1.00 74.50 ? 633 SER A N 1 ATOM 493 C CA . SER A 1 63 ? -29.051 2.686 -45.881 1.00 82.91 ? 633 SER A CA 1 ATOM 494 C C . SER A 1 63 ? -28.851 3.296 -47.265 1.00 75.71 ? 633 SER A C 1 ATOM 495 O O . SER A 1 63 ? -29.356 2.777 -48.251 1.00 81.54 ? 633 SER A O 1 ATOM 496 C CB . SER A 1 63 ? -28.499 1.263 -45.863 1.00 90.74 ? 633 SER A CB 1 ATOM 497 O OG . SER A 1 63 ? -29.316 0.400 -46.636 1.00 98.15 ? 633 SER A OG 1 ATOM 498 N N . VAL A 1 67 ? -33.361 -1.681 -51.006 1.00 103.81 ? 637 VAL A N 1 ATOM 499 C CA . VAL A 1 67 ? -32.369 -2.120 -50.011 1.00 108.56 ? 637 VAL A CA 1 ATOM 500 C C . VAL A 1 67 ? -33.004 -2.165 -48.607 1.00 108.45 ? 637 VAL A C 1 ATOM 501 O O . VAL A 1 67 ? -33.598 -1.170 -48.173 1.00 110.14 ? 637 VAL A O 1 ATOM 502 C CB . VAL A 1 67 ? -31.112 -1.193 -49.967 1.00 112.96 ? 637 VAL A CB 1 ATOM 503 C CG1 . VAL A 1 67 ? -29.953 -1.888 -49.254 1.00 111.28 ? 637 VAL A CG1 1 ATOM 504 C CG2 . VAL A 1 67 ? -30.666 -0.756 -51.363 1.00 112.44 ? 637 VAL A CG2 1 ATOM 505 N N . SER A 1 68 ? -32.879 -3.308 -47.920 1.00 97.07 ? 638 SER A N 1 ATOM 506 C CA . SER A 1 68 ? -33.359 -3.498 -46.535 1.00 85.39 ? 638 SER A CA 1 ATOM 507 C C . SER A 1 68 ? -32.289 -4.131 -45.668 1.00 85.33 ? 638 SER A C 1 ATOM 508 O O . SER A 1 68 ? -31.565 -5.013 -46.139 1.00 89.52 ? 638 SER A O 1 ATOM 509 C CB . SER A 1 68 ? -34.590 -4.390 -46.501 1.00 85.54 ? 638 SER A CB 1 ATOM 510 O OG . SER A 1 68 ? -35.707 -3.658 -46.931 1.00 95.95 ? 638 SER A OG 1 ATOM 511 N N . ILE A 1 69 ? -32.211 -3.692 -44.403 1.00 77.55 ? 639 ILE A N 1 ATOM 512 C CA . ILE A 1 69 ? -31.240 -4.215 -43.427 1.00 69.83 ? 639 ILE A CA 1 ATOM 513 C C . ILE A 1 69 ? -31.885 -4.512 -42.078 1.00 63.72 ? 639 ILE A C 1 ATOM 514 O O . ILE A 1 69 ? -32.963 -4.008 -41.754 1.00 67.05 ? 639 ILE A O 1 ATOM 515 C CB . ILE A 1 69 ? -30.038 -3.255 -43.214 1.00 70.59 ? 639 ILE A CB 1 ATOM 516 C CG1 . ILE A 1 69 ? -30.471 -1.881 -42.654 1.00 65.61 ? 639 ILE A CG1 1 ATOM 517 C CG2 . ILE A 1 69 ? -29.269 -3.083 -44.517 1.00 71.52 ? 639 ILE A CG2 1 ATOM 518 C CD1 . ILE A 1 69 ? -29.319 -1.064 -42.118 1.00 62.71 ? 639 ILE A CD1 1 ATOM 519 N N . GLN A 1 70 ? -31.179 -5.308 -41.291 1.00 63.15 ? 640 GLN A N 1 ATOM 520 C CA . GLN A 1 70 ? -31.496 -5.491 -39.877 1.00 57.87 ? 640 GLN A CA 1 ATOM 521 C C . GLN A 1 70 ? -31.022 -4.285 -39.084 1.00 48.10 ? 640 GLN A C 1 ATOM 522 O O . GLN A 1 70 ? -29.996 -3.679 -39.414 1.00 46.18 ? 640 GLN A O 1 ATOM 523 C CB . GLN A 1 70 ? -30.850 -6.769 -39.338 1.00 62.67 ? 640 GLN A CB 1 ATOM 524 C CG . GLN A 1 70 ? -31.407 -8.031 -39.969 1.00 67.28 ? 640 GLN A CG 1 ATOM 525 C CD . GLN A 1 70 ? -32.861 -8.244 -39.596 1.00 72.00 ? 640 GLN A CD 1 ATOM 526 O OE1 . GLN A 1 70 ? -33.160 -8.572 -38.452 1.00 81.33 ? 640 GLN A OE1 1 ATOM 527 N NE2 . GLN A 1 70 ? -33.773 -8.036 -40.547 1.00 81.53 ? 640 GLN A NE2 1 ATOM 528 N N . VAL A 1 71 ? -31.812 -3.914 -38.076 1.00 46.16 ? 641 VAL A N 1 ATOM 529 C CA . VAL A 1 71 ? -31.454 -2.874 -37.108 1.00 43.81 ? 641 VAL A CA 1 ATOM 530 C C . VAL A 1 71 ? -31.839 -3.307 -35.694 1.00 43.37 ? 641 VAL A C 1 ATOM 531 O O . VAL A 1 71 ? -32.624 -4.241 -35.516 1.00 42.80 ? 641 VAL A O 1 ATOM 532 C CB . VAL A 1 71 ? -32.106 -1.503 -37.439 1.00 42.93 ? 641 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 71 ? -31.573 -0.975 -38.758 1.00 45.60 ? 641 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 71 ? -33.627 -1.564 -37.459 1.00 45.97 ? 641 VAL A CG2 1 ATOM 535 N N . ALA A 1 72 ? -31.289 -2.596 -34.709 1.00 40.73 ? 642 ALA A N 1 ATOM 536 C CA . ALA A 1 72 ? -31.692 -2.717 -33.304 1.00 43.33 ? 642 ALA A CA 1 ATOM 537 C C . ALA A 1 72 ? -32.354 -1.410 -32.914 1.00 40.34 ? 642 ALA A C 1 ATOM 538 O O . ALA A 1 72 ? -31.775 -0.349 -33.128 1.00 42.56 ? 642 ALA A O 1 ATOM 539 C CB . ALA A 1 72 ? -30.494 -2.983 -32.436 1.00 43.71 ? 642 ALA A CB 1 ATOM 540 N N . VAL A 1 73 ? -33.560 -1.491 -32.356 1.00 41.56 ? 643 VAL A N 1 ATOM 541 C CA . VAL A 1 73 ? -34.369 -0.314 -32.056 1.00 43.08 ? 643 VAL A CA 1 ATOM 542 C C . VAL A 1 73 ? -34.544 -0.217 -30.549 1.00 48.35 ? 643 VAL A C 1 ATOM 543 O O . VAL A 1 73 ? -35.176 -1.086 -29.931 1.00 49.06 ? 643 VAL A O 1 ATOM 544 C CB . VAL A 1 73 ? -35.771 -0.361 -32.711 1.00 47.23 ? 643 VAL A CB 1 ATOM 545 C CG1 . VAL A 1 73 ? -36.512 0.964 -32.465 1.00 44.66 ? 643 VAL A CG1 1 ATOM 546 C CG2 . VAL A 1 73 ? -35.681 -0.645 -34.214 1.00 45.88 ? 643 VAL A CG2 1 ATOM 547 N N . LYS A 1 74 ? -34.035 0.871 -29.986 1.00 44.57 ? 644 LYS A N 1 ATOM 548 C CA . LYS A 1 74 ? -34.151 1.169 -28.567 1.00 45.88 ? 644 LYS A CA 1 ATOM 549 C C . LYS A 1 74 ? -35.419 2.015 -28.308 1.00 48.41 ? 644 LYS A C 1 ATOM 550 O O . LYS A 1 74 ? -35.696 2.963 -29.049 1.00 45.60 ? 644 LYS A O 1 ATOM 551 C CB . LYS A 1 74 ? -32.890 1.906 -28.145 1.00 43.95 ? 644 LYS A CB 1 ATOM 552 C CG . LYS A 1 74 ? -32.762 2.156 -26.661 1.00 53.78 ? 644 LYS A CG 1 ATOM 553 C CD . LYS A 1 74 ? -31.367 2.665 -26.334 1.00 54.59 ? 644 LYS A CD 1 ATOM 554 C CE . LYS A 1 74 ? -31.221 2.836 -24.840 1.00 68.73 ? 644 LYS A CE 1 ATOM 555 N NZ . LYS A 1 74 ? -29.792 3.052 -24.485 1.00 76.55 ? 644 LYS A NZ 1 ATOM 556 N N . MET A 1 75 ? -36.178 1.663 -27.269 1.00 52.33 ? 645 MET A N 1 ATOM 557 C CA . MET A 1 75 ? -37.469 2.316 -26.942 1.00 56.79 ? 645 MET A CA 1 ATOM 558 C C . MET A 1 75 ? -37.808 2.201 -25.465 1.00 61.68 ? 645 MET A C 1 ATOM 559 O O . MET A 1 75 ? -37.281 1.330 -24.766 1.00 62.35 ? 645 MET A O 1 ATOM 560 C CB . MET A 1 75 ? -38.619 1.714 -27.766 1.00 58.49 ? 645 MET A CB 1 ATOM 561 C CG . MET A 1 75 ? -38.998 0.274 -27.417 1.00 63.21 ? 645 MET A CG 1 ATOM 562 S SD . MET A 1 75 ? -40.136 -0.530 -28.564 1.00 70.13 ? 645 MET A SD 1 ATOM 563 C CE . MET A 1 75 ? -39.086 -0.793 -29.992 1.00 64.60 ? 645 MET A CE 1 ATOM 564 N N . LEU A 1 76 ? -38.708 3.069 -25.016 1.00 66.46 ? 646 LEU A N 1 ATOM 565 C CA . LEU A 1 76 ? -39.212 3.043 -23.644 1.00 73.17 ? 646 LEU A CA 1 ATOM 566 C C . LEU A 1 76 ? -40.407 2.103 -23.542 1.00 78.80 ? 646 LEU A C 1 ATOM 567 O O . LEU A 1 76 ? -41.099 1.862 -24.537 1.00 80.25 ? 646 LEU A O 1 ATOM 568 C CB . LEU A 1 76 ? -39.633 4.442 -23.191 1.00 75.38 ? 646 LEU A CB 1 ATOM 569 C CG . LEU A 1 76 ? -38.518 5.487 -23.108 1.00 75.26 ? 646 LEU A CG 1 ATOM 570 C CD1 . LEU A 1 76 ? -39.107 6.883 -22.993 1.00 77.07 ? 646 LEU A CD1 1 ATOM 571 C CD2 . LEU A 1 76 ? -37.545 5.229 -21.965 1.00 75.57 ? 646 LEU A CD2 1 ATOM 572 N N . LYS A 1 77 ? -40.648 1.605 -22.326 1.00 89.64 ? 647 LYS A N 1 ATOM 573 C CA . LYS A 1 77 ? -41.869 0.844 -21.996 1.00 92.84 ? 647 LYS A CA 1 ATOM 574 C C . LYS A 1 77 ? -43.056 1.803 -21.874 1.00 95.84 ? 647 LYS A C 1 ATOM 575 O O . LYS A 1 77 ? -42.864 2.999 -21.626 1.00 92.16 ? 647 LYS A O 1 ATOM 576 C CB . LYS A 1 77 ? -41.690 0.056 -20.695 1.00 94.15 ? 647 LYS A CB 1 ATOM 577 N N . GLU A 1 78 ? -44.268 1.269 -22.050 1.00 101.11 ? 648 GLU A N 1 ATOM 578 C CA . GLU A 1 78 ? -45.509 2.062 -22.005 1.00 103.19 ? 648 GLU A CA 1 ATOM 579 C C . GLU A 1 78 ? -45.828 2.524 -20.584 1.00 108.09 ? 648 GLU A C 1 ATOM 580 O O . GLU A 1 78 ? -45.383 3.591 -20.162 1.00 106.87 ? 648 GLU A O 1 ATOM 581 C CB . GLU A 1 78 ? -46.690 1.259 -22.564 1.00 108.03 ? 648 GLU A CB 1 ATOM 582 N N . ASP A 1 81 ? -42.804 7.813 -18.493 1.00 94.13 ? 651 ASP A N 1 ATOM 583 C CA . ASP A 1 81 ? -43.147 9.200 -18.151 1.00 104.86 ? 651 ASP A CA 1 ATOM 584 C C . ASP A 1 81 ? -42.456 10.220 -19.065 1.00 104.36 ? 651 ASP A C 1 ATOM 585 O O . ASP A 1 81 ? -41.592 9.854 -19.863 1.00 110.48 ? 651 ASP A O 1 ATOM 586 C CB . ASP A 1 81 ? -42.806 9.479 -16.680 1.00 109.56 ? 651 ASP A CB 1 ATOM 587 N N . SER A 1 82 ? -42.853 11.489 -18.947 1.00 107.24 ? 652 SER A N 1 ATOM 588 C CA . SER A 1 82 ? -42.282 12.590 -19.753 1.00 105.64 ? 652 SER A CA 1 ATOM 589 C C . SER A 1 82 ? -40.791 12.884 -19.476 1.00 104.47 ? 652 SER A C 1 ATOM 590 O O . SER A 1 82 ? -40.071 13.329 -20.380 1.00 96.58 ? 652 SER A O 1 ATOM 591 C CB . SER A 1 82 ? -43.111 13.870 -19.581 1.00 105.52 ? 652 SER A CB 1 ATOM 592 N N . SER A 1 83 ? -40.343 12.651 -18.238 1.00 103.22 ? 653 SER A N 1 ATOM 593 C CA . SER A 1 83 ? -38.908 12.699 -17.882 1.00 99.39 ? 653 SER A CA 1 ATOM 594 C C . SER A 1 83 ? -38.071 11.591 -18.554 1.00 94.55 ? 653 SER A C 1 ATOM 595 O O . SER A 1 83 ? -36.910 11.823 -18.927 1.00 85.81 ? 653 SER A O 1 ATOM 596 C CB . SER A 1 83 ? -38.727 12.628 -16.358 1.00 103.56 ? 653 SER A CB 1 ATOM 597 N N . GLU A 1 84 ? -38.663 10.401 -18.696 1.00 93.82 ? 654 GLU A N 1 ATOM 598 C CA . GLU A 1 84 ? -38.012 9.246 -19.352 1.00 92.24 ? 654 GLU A CA 1 ATOM 599 C C . GLU A 1 84 ? -37.837 9.522 -20.856 1.00 80.35 ? 654 GLU A C 1 ATOM 600 O O . GLU A 1 84 ? -36.791 9.240 -21.431 1.00 79.48 ? 654 GLU A O 1 ATOM 601 C CB . GLU A 1 84 ? -38.829 7.942 -19.183 1.00 102.98 ? 654 GLU A CB 1 ATOM 602 C CG . GLU A 1 84 ? -39.315 7.560 -17.778 1.00 115.46 ? 654 GLU A CG 1 ATOM 603 C CD . GLU A 1 84 ? -38.225 7.537 -16.723 1.00 122.08 ? 654 GLU A CD 1 ATOM 604 O OE1 . GLU A 1 84 ? -37.085 7.143 -17.038 1.00 130.74 ? 654 GLU A OE1 1 ATOM 605 O OE2 . GLU A 1 84 ? -38.518 7.893 -15.561 1.00 130.49 ? 654 GLU A OE2 1 ATOM 606 N N . ARG A 1 85 ? -38.908 10.038 -21.464 1.00 77.58 ? 655 ARG A N 1 ATOM 607 C CA . ARG A 1 85 ? -38.966 10.508 -22.864 1.00 70.75 ? 655 ARG A CA 1 ATOM 608 C C . ARG A 1 85 ? -37.844 11.515 -23.191 1.00 62.73 ? 655 ARG A C 1 ATOM 609 O O . ARG A 1 85 ? -37.101 11.340 -24.165 1.00 57.06 ? 655 ARG A O 1 ATOM 610 C CB . ARG A 1 85 ? -40.357 11.137 -23.118 1.00 75.14 ? 655 ARG A CB 1 ATOM 611 C CG . ARG A 1 85 ? -40.736 11.415 -24.556 1.00 77.10 ? 655 ARG A CG 1 ATOM 612 N N . GLU A 1 86 ? -37.708 12.527 -22.341 1.00 63.61 ? 656 GLU A N 1 ATOM 613 C CA . GLU A 1 86 ? -36.683 13.566 -22.496 1.00 66.65 ? 656 GLU A CA 1 ATOM 614 C C . GLU A 1 86 ? -35.250 13.029 -22.411 1.00 59.13 ? 656 GLU A C 1 ATOM 615 O O . GLU A 1 86 ? -34.387 13.448 -23.187 1.00 52.91 ? 656 GLU A O 1 ATOM 616 C CB . GLU A 1 86 ? -36.884 14.683 -21.460 1.00 76.60 ? 656 GLU A CB 1 ATOM 617 C CG . GLU A 1 86 ? -36.105 15.968 -21.714 1.00 84.04 ? 656 GLU A CG 1 ATOM 618 C CD . GLU A 1 86 ? -36.655 16.787 -22.876 1.00 88.98 ? 656 GLU A CD 1 ATOM 619 O OE1 . GLU A 1 86 ? -37.258 17.843 -22.604 1.00 93.86 ? 656 GLU A OE1 1 ATOM 620 O OE2 . GLU A 1 86 ? -36.486 16.391 -24.054 1.00 82.92 ? 656 GLU A OE2 1 ATOM 621 N N . ALA A 1 87 ? -35.009 12.108 -21.485 1.00 56.52 ? 657 ALA A N 1 ATOM 622 C CA . ALA A 1 87 ? -33.687 11.451 -21.361 1.00 60.41 ? 657 ALA A CA 1 ATOM 623 C C . ALA A 1 87 ? -33.307 10.651 -22.596 1.00 50.71 ? 657 ALA A C 1 ATOM 624 O O . ALA A 1 87 ? -32.139 10.642 -23.016 1.00 47.51 ? 657 ALA A O 1 ATOM 625 C CB . ALA A 1 87 ? -33.638 10.551 -20.123 1.00 66.63 ? 657 ALA A CB 1 ATOM 626 N N . LEU A 1 88 ? -34.294 9.998 -23.198 1.00 49.44 ? 658 LEU A N 1 ATOM 627 C CA . LEU A 1 88 ? -34.048 9.275 -24.450 1.00 46.63 ? 658 LEU A CA 1 ATOM 628 C C . LEU A 1 88 ? -33.746 10.219 -25.610 1.00 40.13 ? 658 LEU A C 1 ATOM 629 O O . LEU A 1 88 ? -32.911 9.897 -26.454 1.00 39.16 ? 658 LEU A O 1 ATOM 630 C CB . LEU A 1 88 ? -35.216 8.344 -24.785 1.00 46.42 ? 658 LEU A CB 1 ATOM 631 C CG . LEU A 1 88 ? -34.975 7.270 -25.833 1.00 49.24 ? 658 LEU A CG 1 ATOM 632 C CD1 . LEU A 1 88 ? -33.726 6.440 -25.591 1.00 49.03 ? 658 LEU A CD1 1 ATOM 633 C CD2 . LEU A 1 88 ? -36.177 6.346 -25.885 1.00 56.00 ? 658 LEU A CD2 1 ATOM 634 N N . MET A 1 89 ? -34.429 11.365 -25.649 1.00 40.28 ? 659 MET A N 1 ATOM 635 C CA . MET A 1 89 ? -34.135 12.423 -26.635 1.00 41.40 ? 659 MET A CA 1 ATOM 636 C C . MET A 1 89 ? -32.720 12.983 -26.456 1.00 39.89 ? 659 MET A C 1 ATOM 637 O O . MET A 1 89 ? -32.025 13.245 -27.435 1.00 36.36 ? 659 MET A O 1 ATOM 638 C CB . MET A 1 89 ? -35.155 13.585 -26.554 1.00 43.32 ? 659 MET A CB 1 ATOM 639 C CG . MET A 1 89 ? -36.494 13.306 -27.205 1.00 48.68 ? 659 MET A CG 1 ATOM 640 S SD . MET A 1 89 ? -36.405 12.872 -28.972 1.00 49.15 ? 659 MET A SD 1 ATOM 641 C CE . MET A 1 89 ? -35.557 14.324 -29.590 1.00 42.62 ? 659 MET A CE 1 ATOM 642 N N . SER A 1 90 ? -32.303 13.166 -25.207 1.00 38.99 ? 660 SER A N 1 ATOM 643 C CA . SER A 1 90 ? -30.941 13.636 -24.934 1.00 39.99 ? 660 SER A CA 1 ATOM 644 C C . SER A 1 90 ? -29.897 12.668 -25.455 1.00 43.19 ? 660 SER A C 1 ATOM 645 O O . SER A 1 90 ? -28.918 13.078 -26.093 1.00 37.74 ? 660 SER A O 1 ATOM 646 C CB . SER A 1 90 ? -30.752 13.894 -23.458 1.00 40.30 ? 660 SER A CB 1 ATOM 647 O OG . SER A 1 90 ? -31.544 15.038 -23.126 1.00 45.75 ? 660 SER A OG 1 ATOM 648 N N . GLU A 1 91 ? -30.132 11.381 -25.216 1.00 40.08 ? 661 GLU A N 1 ATOM 649 C CA . GLU A 1 91 ? -29.244 10.372 -25.721 1.00 38.41 ? 661 GLU A CA 1 ATOM 650 C C . GLU A 1 91 ? -29.204 10.408 -27.243 1.00 38.26 ? 661 GLU A C 1 ATOM 651 O O . GLU A 1 91 ? -28.139 10.273 -27.832 1.00 36.36 ? 661 GLU A O 1 ATOM 652 C CB . GLU A 1 91 ? -29.682 9.010 -25.218 1.00 40.73 ? 661 GLU A CB 1 ATOM 653 C CG . GLU A 1 91 ? -28.870 7.829 -25.728 1.00 42.73 ? 661 GLU A CG 1 ATOM 654 C CD . GLU A 1 91 ? -29.334 6.509 -25.105 1.00 49.53 ? 661 GLU A CD 1 ATOM 655 O OE1 . GLU A 1 91 ? -29.902 6.496 -23.989 1.00 59.33 ? 661 GLU A OE1 1 ATOM 656 O OE2 . GLU A 1 91 ? -29.126 5.468 -25.743 1.00 44.56 ? 661 GLU A OE2 1 ATOM 657 N N . LEU A 1 92 ? -30.368 10.546 -27.865 1.00 40.20 ? 662 LEU A N 1 ATOM 658 C CA . LEU A 1 92 ? -30.443 10.665 -29.313 1.00 36.60 ? 662 LEU A CA 1 ATOM 659 C C . LEU A 1 92 ? -29.605 11.842 -29.798 1.00 36.72 ? 662 LEU A C 1 ATOM 660 O O . LEU A 1 92 ? -28.769 11.672 -30.696 1.00 34.08 ? 662 LEU A O 1 ATOM 661 C CB . LEU A 1 92 ? -31.889 10.821 -29.784 1.00 34.98 ? 662 LEU A CB 1 ATOM 662 C CG . LEU A 1 92 ? -32.136 11.174 -31.240 1.00 33.86 ? 662 LEU A CG 1 ATOM 663 C CD1 . LEU A 1 92 ? -31.472 10.168 -32.158 1.00 37.17 ? 662 LEU A CD1 1 ATOM 664 C CD2 . LEU A 1 92 ? -33.632 11.221 -31.478 1.00 39.41 ? 662 LEU A CD2 1 ATOM 665 N N . LYS A 1 93 ? -29.838 13.012 -29.201 1.00 36.00 ? 663 LYS A N 1 ATOM 666 C CA . LYS A 1 93 ? -29.100 14.229 -29.572 1.00 38.78 ? 663 LYS A CA 1 ATOM 667 C C . LYS A 1 93 ? -27.591 13.988 -29.406 1.00 41.19 ? 663 LYS A C 1 ATOM 668 O O . LYS A 1 93 ? -26.827 14.303 -30.312 1.00 40.30 ? 663 LYS A O 1 ATOM 669 C CB . LYS A 1 93 ? -29.542 15.442 -28.767 1.00 36.64 ? 663 LYS A CB 1 ATOM 670 C CG . LYS A 1 93 ? -30.970 15.939 -29.034 1.00 40.37 ? 663 LYS A CG 1 ATOM 671 C CD . LYS A 1 93 ? -31.369 16.942 -27.950 1.00 41.58 ? 663 LYS A CD 1 ATOM 672 C CE . LYS A 1 93 ? -32.816 17.230 -27.902 1.00 41.89 ? 663 LYS A CE 1 ATOM 673 N NZ . LYS A 1 93 ? -33.152 18.040 -26.728 1.00 45.50 ? 663 LYS A NZ 1 ATOM 674 N N . MET A 1 94 ? -27.180 13.358 -28.306 1.00 40.40 ? 664 MET A N 1 ATOM 675 C CA . MET A 1 94 ? -25.762 13.038 -28.110 1.00 38.55 ? 664 MET A CA 1 ATOM 676 C C . MET A 1 94 ? -25.210 12.172 -29.261 1.00 38.44 ? 664 MET A C 1 ATOM 677 O O . MET A 1 94 ? -24.158 12.488 -29.818 1.00 39.28 ? 664 MET A O 1 ATOM 678 C CB . MET A 1 94 ? -25.524 12.386 -26.756 1.00 39.85 ? 664 MET A CB 1 ATOM 679 C CG . MET A 1 94 ? -24.076 11.944 -26.487 1.00 47.20 ? 664 MET A CG 1 ATOM 680 S SD . MET A 1 94 ? -23.924 10.954 -25.003 1.00 61.97 ? 664 MET A SD 1 ATOM 681 C CE . MET A 1 94 ? -24.745 9.423 -25.480 1.00 67.47 ? 664 MET A CE 1 ATOM 682 N N . MET A 1 95 ? -25.922 11.113 -29.614 1.00 34.86 ? 665 MET A N 1 ATOM 683 C CA . MET A 1 95 ? -25.458 10.187 -30.631 1.00 39.28 ? 665 MET A CA 1 ATOM 684 C C . MET A 1 95 ? -25.471 10.788 -32.058 1.00 43.32 ? 665 MET A C 1 ATOM 685 O O . MET A 1 95 ? -24.650 10.392 -32.878 1.00 44.60 ? 665 MET A O 1 ATOM 686 C CB . MET A 1 95 ? -26.263 8.880 -30.582 1.00 40.22 ? 665 MET A CB 1 ATOM 687 C CG . MET A 1 95 ? -26.131 8.094 -29.285 1.00 42.86 ? 665 MET A CG 1 ATOM 688 S SD . MET A 1 95 ? -24.455 7.605 -28.839 1.00 48.14 ? 665 MET A SD 1 ATOM 689 C CE . MET A 1 95 ? -24.089 6.391 -30.127 1.00 53.36 ? 665 MET A CE 1 ATOM 690 N N . THR A 1 96 ? -26.363 11.745 -32.335 1.00 38.38 ? 666 THR A N 1 ATOM 691 C CA . THR A 1 96 ? -26.330 12.481 -33.608 1.00 38.83 ? 666 THR A CA 1 ATOM 692 C C . THR A 1 96 ? -25.061 13.337 -33.753 1.00 43.52 ? 666 THR A C 1 ATOM 693 O O . THR A 1 96 ? -24.573 13.529 -34.865 1.00 51.07 ? 666 THR A O 1 ATOM 694 C CB . THR A 1 96 ? -27.560 13.396 -33.842 1.00 37.89 ? 666 THR A CB 1 ATOM 695 O OG1 . THR A 1 96 ? -27.654 14.406 -32.836 1.00 39.58 ? 666 THR A OG1 1 ATOM 696 C CG2 . THR A 1 96 ? -28.812 12.619 -33.909 1.00 37.55 ? 666 THR A CG2 1 ATOM 697 N N . GLN A 1 97 ? -24.563 13.851 -32.634 1.00 42.86 ? 667 GLN A N 1 ATOM 698 C CA . GLN A 1 97 ? -23.393 14.721 -32.612 1.00 45.14 ? 667 GLN A CA 1 ATOM 699 C C . GLN A 1 97 ? -22.056 14.005 -32.494 1.00 46.79 ? 667 GLN A C 1 ATOM 700 O O . GLN A 1 97 ? -21.034 14.580 -32.828 1.00 43.80 ? 667 GLN A O 1 ATOM 701 C CB . GLN A 1 97 ? -23.553 15.763 -31.497 1.00 48.88 ? 667 GLN A CB 1 ATOM 702 C CG . GLN A 1 97 ? -24.759 16.707 -31.687 1.00 63.98 ? 667 GLN A CG 1 ATOM 703 C CD . GLN A 1 97 ? -24.802 17.426 -33.052 1.00 75.09 ? 667 GLN A CD 1 ATOM 704 O OE1 . GLN A 1 97 ? -23.867 18.152 -33.404 1.00 78.82 ? 667 GLN A OE1 1 ATOM 705 N NE2 . GLN A 1 97 ? -25.886 17.224 -33.824 1.00 70.75 ? 667 GLN A NE2 1 ATOM 706 N N . LEU A 1 98 ? -22.060 12.752 -32.057 1.00 43.33 ? 668 LEU A N 1 ATOM 707 C CA . LEU A 1 98 ? -20.825 12.046 -31.767 1.00 44.61 ? 668 LEU A CA 1 ATOM 708 C C . LEU A 1 98 ? -19.995 11.716 -33.034 1.00 47.11 ? 668 LEU A C 1 ATOM 709 O O . LEU A 1 98 ? -18.758 11.768 -33.000 1.00 41.56 ? 668 LEU A O 1 ATOM 710 C CB . LEU A 1 98 ? -21.166 10.790 -30.962 1.00 43.16 ? 668 LEU A CB 1 ATOM 711 C CG . LEU A 1 98 ? -20.070 9.900 -30.428 1.00 45.67 ? 668 LEU A CG 1 ATOM 712 C CD1 . LEU A 1 98 ? -19.264 10.649 -29.363 1.00 47.47 ? 668 LEU A CD1 1 ATOM 713 C CD2 . LEU A 1 98 ? -20.692 8.624 -29.894 1.00 44.33 ? 668 LEU A CD2 1 ATOM 714 N N . GLY A 1 99 ? -20.686 11.443 -34.149 1.00 46.66 ? 669 GLY A N 1 ATOM 715 C CA . GLY A 1 99 ? -20.079 10.905 -35.353 1.00 45.15 ? 669 GLY A CA 1 ATOM 716 C C . GLY A 1 99 ? -20.026 9.390 -35.217 1.00 46.16 ? 669 GLY A C 1 ATOM 717 O O . GLY A 1 99 ? -20.298 8.833 -34.158 1.00 45.51 ? 669 GLY A O 1 ATOM 718 N N . SER A 1 100 ? -19.662 8.733 -36.307 1.00 41.39 ? 670 SER A N 1 ATOM 719 C CA . SER A 1 100 ? -19.677 7.299 -36.392 1.00 42.78 ? 670 SER A CA 1 ATOM 720 C C . SER A 1 100 ? -18.263 6.765 -36.280 1.00 39.75 ? 670 SER A C 1 ATOM 721 O O . SER A 1 100 ? -17.294 7.454 -36.576 1.00 44.19 ? 670 SER A O 1 ATOM 722 C CB . SER A 1 100 ? -20.352 6.853 -37.701 1.00 46.86 ? 670 SER A CB 1 ATOM 723 O OG . SER A 1 100 ? -19.538 7.221 -38.789 1.00 55.06 ? 670 SER A OG 1 ATOM 724 N N . HIS A 1 101 ? -18.158 5.515 -35.854 1.00 37.44 ? 671 HIS A N 1 ATOM 725 C CA . HIS A 1 101 ? -16.867 4.827 -35.786 1.00 35.76 ? 671 HIS A CA 1 ATOM 726 C C . HIS A 1 101 ? -17.124 3.330 -35.941 1.00 37.66 ? 671 HIS A C 1 ATOM 727 O O . HIS A 1 101 ? -18.195 2.830 -35.545 1.00 39.35 ? 671 HIS A O 1 ATOM 728 C CB . HIS A 1 101 ? -16.164 5.214 -34.455 1.00 33.78 ? 671 HIS A CB 1 ATOM 729 C CG . HIS A 1 101 ? -14.731 4.786 -34.378 1.00 34.11 ? 671 HIS A CG 1 ATOM 730 N ND1 . HIS A 1 101 ? -14.362 3.537 -33.941 1.00 33.79 ? 671 HIS A ND1 1 ATOM 731 C CD2 . HIS A 1 101 ? -13.579 5.423 -34.703 1.00 36.17 ? 671 HIS A CD2 1 ATOM 732 C CE1 . HIS A 1 101 ? -13.046 3.424 -33.969 1.00 35.70 ? 671 HIS A CE1 1 ATOM 733 N NE2 . HIS A 1 101 ? -12.548 4.559 -34.425 1.00 36.96 ? 671 HIS A NE2 1 ATOM 734 N N . GLU A 1 102 ? -16.177 2.621 -36.547 1.00 39.21 ? 672 GLU A N 1 ATOM 735 C CA . GLU A 1 102 ? -16.326 1.179 -36.815 1.00 46.41 ? 672 GLU A CA 1 ATOM 736 C C . GLU A 1 102 ? -16.583 0.332 -35.535 1.00 41.92 ? 672 GLU A C 1 ATOM 737 O O . GLU A 1 102 ? -17.305 -0.656 -35.574 1.00 44.50 ? 672 GLU A O 1 ATOM 738 C CB . GLU A 1 102 ? -15.094 0.610 -37.574 1.00 53.74 ? 672 GLU A CB 1 ATOM 739 C CG . GLU A 1 102 ? -15.429 -0.641 -38.397 1.00 65.11 ? 672 GLU A CG 1 ATOM 740 C CD . GLU A 1 102 ? -14.229 -1.510 -38.781 1.00 77.44 ? 672 GLU A CD 1 ATOM 741 O OE1 . GLU A 1 102 ? -13.068 -1.030 -38.783 1.00 83.40 ? 672 GLU A OE1 1 ATOM 742 O OE2 . GLU A 1 102 ? -14.459 -2.697 -39.109 1.00 71.78 ? 672 GLU A OE2 1 ATOM 743 N N . ASN A 1 103 ? -15.949 0.732 -34.441 1.00 41.76 ? 673 ASN A N 1 ATOM 744 C CA . ASN A 1 103 ? -16.042 0.093 -33.115 1.00 41.20 ? 673 ASN A CA 1 ATOM 745 C C . ASN A 1 103 ? -16.993 0.706 -32.070 1.00 40.07 ? 673 ASN A C 1 ATOM 746 O O . ASN A 1 103 ? -16.802 0.508 -30.838 1.00 36.83 ? 673 ASN A O 1 ATOM 747 C CB . ASN A 1 103 ? -14.629 -0.028 -32.563 1.00 38.68 ? 673 ASN A CB 1 ATOM 748 C CG . ASN A 1 103 ? -13.694 -0.753 -33.520 1.00 40.44 ? 673 ASN A CG 1 ATOM 749 O OD1 . ASN A 1 103 ? -12.643 -0.239 -33.875 1.00 45.08 ? 673 ASN A OD1 1 ATOM 750 N ND2 . ASN A 1 103 ? -14.051 -1.956 -33.898 1.00 42.06 ? 673 ASN A ND2 1 ATOM 751 N N . ILE A 1 104 ? -18.008 1.426 -32.564 1.00 38.40 ? 674 ILE A N 1 ATOM 752 C CA . ILE A 1 104 ? -19.148 1.905 -31.782 1.00 39.46 ? 674 ILE A CA 1 ATOM 753 C C . ILE A 1 104 ? -20.422 1.359 -32.449 1.00 37.74 ? 674 ILE A C 1 ATOM 754 O O . ILE A 1 104 ? -20.451 1.201 -33.656 1.00 34.50 ? 674 ILE A O 1 ATOM 755 C CB . ILE A 1 104 ? -19.182 3.442 -31.755 1.00 41.04 ? 674 ILE A CB 1 ATOM 756 C CG1 . ILE A 1 104 ? -17.874 4.016 -31.200 1.00 45.92 ? 674 ILE A CG1 1 ATOM 757 C CG2 . ILE A 1 104 ? -20.380 3.982 -30.982 1.00 47.32 ? 674 ILE A CG2 1 ATOM 758 C CD1 . ILE A 1 104 ? -17.583 3.751 -29.746 1.00 48.47 ? 674 ILE A CD1 1 ATOM 759 N N . VAL A 1 105 ? -21.462 1.079 -31.654 1.00 34.55 ? 675 VAL A N 1 ATOM 760 C CA . VAL A 1 105 ? -22.810 0.816 -32.164 1.00 32.96 ? 675 VAL A CA 1 ATOM 761 C C . VAL A 1 105 ? -23.364 2.177 -32.584 1.00 37.68 ? 675 VAL A C 1 ATOM 762 O O . VAL A 1 105 ? -23.717 3.002 -31.741 1.00 40.93 ? 675 VAL A O 1 ATOM 763 C CB . VAL A 1 105 ? -23.722 0.114 -31.116 1.00 41.14 ? 675 VAL A CB 1 ATOM 764 C CG1 . VAL A 1 105 ? -25.137 -0.122 -31.648 1.00 41.78 ? 675 VAL A CG1 1 ATOM 765 C CG2 . VAL A 1 105 ? -23.120 -1.231 -30.683 1.00 40.57 ? 675 VAL A CG2 1 ATOM 766 N N . ASN A 1 106 ? -23.423 2.406 -33.899 1.00 37.46 ? 676 ASN A N 1 ATOM 767 C CA . ASN A 1 106 ? -23.775 3.704 -34.457 1.00 37.38 ? 676 ASN A CA 1 ATOM 768 C C . ASN A 1 106 ? -25.272 3.873 -34.625 1.00 37.30 ? 676 ASN A C 1 ATOM 769 O O . ASN A 1 106 ? -25.997 2.921 -34.960 1.00 36.46 ? 676 ASN A O 1 ATOM 770 C CB . ASN A 1 106 ? -23.080 3.928 -35.815 1.00 38.04 ? 676 ASN A CB 1 ATOM 771 C CG . ASN A 1 106 ? -21.573 3.897 -35.687 1.00 39.21 ? 676 ASN A CG 1 ATOM 772 O OD1 . ASN A 1 106 ? -20.995 4.714 -34.950 1.00 38.28 ? 676 ASN A OD1 1 ATOM 773 N ND2 . ASN A 1 106 ? -20.912 2.958 -36.389 1.00 36.00 ? 676 ASN A ND2 1 ATOM 774 N N . LEU A 1 107 ? -25.700 5.118 -34.423 1.00 38.18 ? 677 LEU A N 1 ATOM 775 C CA . LEU A 1 107 ? -27.051 5.573 -34.713 1.00 39.01 ? 677 LEU A CA 1 ATOM 776 C C . LEU A 1 107 ? -27.255 5.667 -36.203 1.00 39.75 ? 677 LEU A C 1 ATOM 777 O O . LEU A 1 107 ? -26.392 6.214 -36.915 1.00 37.56 ? 677 LEU A O 1 ATOM 778 C CB . LEU A 1 107 ? -27.288 6.959 -34.115 1.00 41.55 ? 677 LEU A CB 1 ATOM 779 C CG . LEU A 1 107 ? -28.742 7.453 -34.143 1.00 41.27 ? 677 LEU A CG 1 ATOM 780 C CD1 . LEU A 1 107 ? -29.523 6.754 -33.041 1.00 39.15 ? 677 LEU A CD1 1 ATOM 781 C CD2 . LEU A 1 107 ? -28.800 8.965 -34.019 1.00 47.36 ? 677 LEU A CD2 1 ATOM 782 N N . LEU A 1 108 ? -28.383 5.110 -36.659 1.00 39.58 ? 678 LEU A N 1 ATOM 783 C CA . LEU A 1 108 ? -28.826 5.183 -38.056 1.00 41.72 ? 678 LEU A CA 1 ATOM 784 C C . LEU A 1 108 ? -29.996 6.137 -38.303 1.00 39.78 ? 678 LEU A C 1 ATOM 785 O O . LEU A 1 108 ? -30.128 6.649 -39.395 1.00 40.82 ? 678 LEU A O 1 ATOM 786 C CB . LEU A 1 108 ? -29.202 3.782 -38.556 1.00 41.11 ? 678 LEU A CB 1 ATOM 787 C CG . LEU A 1 108 ? -28.070 2.748 -38.542 1.00 43.33 ? 678 LEU A CG 1 ATOM 788 C CD1 . LEU A 1 108 ? -28.599 1.438 -39.100 1.00 42.94 ? 678 LEU A CD1 1 ATOM 789 C CD2 . LEU A 1 108 ? -26.829 3.198 -39.319 1.00 43.96 ? 678 LEU A CD2 1 ATOM 790 N N . GLY A 1 109 ? -30.854 6.336 -37.309 1.00 40.76 ? 679 GLY A N 1 ATOM 791 C CA . GLY A 1 109 ? -31.999 7.243 -37.434 1.00 38.39 ? 679 GLY A CA 1 ATOM 792 C C . GLY A 1 109 ? -32.894 7.155 -36.218 1.00 36.03 ? 679 GLY A C 1 ATOM 793 O O . GLY A 1 109 ? -32.602 6.428 -35.268 1.00 34.56 ? 679 GLY A O 1 ATOM 794 N N . ALA A 1 110 ? -34.008 7.863 -36.269 1.00 37.64 ? 680 ALA A N 1 ATOM 795 C CA . ALA A 1 110 ? -34.935 7.901 -35.146 1.00 38.02 ? 680 ALA A CA 1 ATOM 796 C C . ALA A 1 110 ? -36.337 8.252 -35.585 1.00 38.54 ? 680 ALA A C 1 ATOM 797 O O . ALA A 1 110 ? -36.529 8.864 -36.630 1.00 38.92 ? 680 ALA A O 1 ATOM 798 C CB . ALA A 1 110 ? -34.449 8.913 -34.115 1.00 39.89 ? 680 ALA A CB 1 ATOM 799 N N . CYS A 1 111 ? -37.305 7.861 -34.761 1.00 39.36 ? 681 CYS A N 1 ATOM 800 C CA . CYS A 1 111 ? -38.729 8.148 -34.970 1.00 44.55 ? 681 CYS A CA 1 ATOM 801 C C . CYS A 1 111 ? -39.152 8.849 -33.692 1.00 45.06 ? 681 CYS A C 1 ATOM 802 O O . CYS A 1 111 ? -39.093 8.254 -32.635 1.00 45.96 ? 681 CYS A O 1 ATOM 803 C CB . CYS A 1 111 ? -39.524 6.854 -35.200 1.00 45.62 ? 681 CYS A CB 1 ATOM 804 S SG . CYS A 1 111 ? -38.774 5.750 -36.421 1.00 48.30 ? 681 CYS A SG 1 ATOM 805 N N . THR A 1 112 ? -39.498 10.129 -33.795 1.00 45.32 ? 682 THR A N 1 ATOM 806 C CA . THR A 1 112 ? -39.714 11.005 -32.642 1.00 44.99 ? 682 THR A CA 1 ATOM 807 C C . THR A 1 112 ? -41.004 11.824 -32.662 1.00 49.67 ? 682 THR A C 1 ATOM 808 O O . THR A 1 112 ? -41.314 12.448 -31.638 1.00 51.73 ? 682 THR A O 1 ATOM 809 C CB . THR A 1 112 ? -38.538 12.000 -32.473 1.00 46.37 ? 682 THR A CB 1 ATOM 810 O OG1 . THR A 1 112 ? -38.522 12.954 -33.557 1.00 45.94 ? 682 THR A OG1 1 ATOM 811 C CG2 . THR A 1 112 ? -37.188 11.262 -32.372 1.00 42.60 ? 682 THR A CG2 1 ATOM 812 N N . LEU A 1 113 ? -41.747 11.833 -33.782 1.00 51.16 ? 683 LEU A N 1 ATOM 813 C CA . LEU A 1 113 ? -42.786 12.832 -34.025 1.00 59.57 ? 683 LEU A CA 1 ATOM 814 C C . LEU A 1 113 ? -44.213 12.313 -33.900 1.00 63.70 ? 683 LEU A C 1 ATOM 815 O O . LEU A 1 113 ? -45.043 12.996 -33.300 1.00 70.67 ? 683 LEU A O 1 ATOM 816 C CB . LEU A 1 113 ? -42.568 13.509 -35.394 1.00 59.27 ? 683 LEU A CB 1 ATOM 817 C CG . LEU A 1 113 ? -41.296 14.372 -35.545 1.00 59.52 ? 683 LEU A CG 1 ATOM 818 C CD1 . LEU A 1 113 ? -41.246 14.986 -36.931 1.00 58.08 ? 683 LEU A CD1 1 ATOM 819 C CD2 . LEU A 1 113 ? -41.146 15.487 -34.507 1.00 61.05 ? 683 LEU A CD2 1 ATOM 820 N N . SER A 1 114 ? -44.504 11.143 -34.468 1.00 63.00 ? 684 SER A N 1 ATOM 821 C CA . SER A 1 114 ? -45.895 10.666 -34.625 1.00 68.78 ? 684 SER A CA 1 ATOM 822 C C . SER A 1 114 ? -46.231 9.437 -33.767 1.00 72.39 ? 684 SER A C 1 ATOM 823 O O . SER A 1 114 ? -47.145 8.674 -34.101 1.00 77.97 ? 684 SER A O 1 ATOM 824 C CB . SER A 1 114 ? -46.164 10.380 -36.113 1.00 67.83 ? 684 SER A CB 1 ATOM 825 O OG . SER A 1 114 ? -45.516 9.198 -36.557 1.00 67.02 ? 684 SER A OG 1 ATOM 826 N N . GLY A 1 115 ? -45.521 9.272 -32.651 1.00 72.38 ? 685 GLY A N 1 ATOM 827 C CA . GLY A 1 115 ? -45.622 8.065 -31.822 1.00 68.33 ? 685 GLY A CA 1 ATOM 828 C C . GLY A 1 115 ? -44.507 7.972 -30.785 1.00 66.05 ? 685 GLY A C 1 ATOM 829 O O . GLY A 1 115 ? -43.774 8.951 -30.586 1.00 58.96 ? 685 GLY A O 1 ATOM 830 N N . PRO A 1 116 ? -44.358 6.793 -30.129 1.00 66.90 ? 686 PRO A N 1 ATOM 831 C CA . PRO A 1 116 ? -43.273 6.634 -29.150 1.00 65.15 ? 686 PRO A CA 1 ATOM 832 C C . PRO A 1 116 ? -41.870 6.781 -29.760 1.00 60.14 ? 686 PRO A C 1 ATOM 833 O O . PRO A 1 116 ? -41.675 6.522 -30.947 1.00 59.61 ? 686 PRO A O 1 ATOM 834 C CB . PRO A 1 116 ? -43.502 5.225 -28.566 1.00 67.30 ? 686 PRO A CB 1 ATOM 835 C CG . PRO A 1 116 ? -44.498 4.563 -29.454 1.00 71.91 ? 686 PRO A CG 1 ATOM 836 C CD . PRO A 1 116 ? -45.291 5.647 -30.111 1.00 69.36 ? 686 PRO A CD 1 ATOM 837 N N . ILE A 1 117 ? -40.919 7.218 -28.943 1.00 53.80 ? 687 ILE A N 1 ATOM 838 C CA . ILE A 1 117 ? -39.564 7.485 -29.405 1.00 51.40 ? 687 ILE A CA 1 ATOM 839 C C . ILE A 1 117 ? -38.865 6.166 -29.721 1.00 51.44 ? 687 ILE A C 1 ATOM 840 O O . ILE A 1 117 ? -38.822 5.281 -28.865 1.00 54.08 ? 687 ILE A O 1 ATOM 841 C CB . ILE A 1 117 ? -38.763 8.331 -28.395 1.00 50.08 ? 687 ILE A CB 1 ATOM 842 C CG1 . ILE A 1 117 ? -39.408 9.716 -28.312 1.00 53.50 ? 687 ILE A CG1 1 ATOM 843 C CG2 . ILE A 1 117 ? -37.289 8.484 -28.821 1.00 48.62 ? 687 ILE A CG2 1 ATOM 844 C CD1 . ILE A 1 117 ? -38.902 10.556 -27.178 1.00 63.16 ? 687 ILE A CD1 1 ATOM 845 N N . TYR A 1 118 ? -38.332 6.060 -30.945 1.00 45.65 ? 688 TYR A N 1 ATOM 846 C CA . TYR A 1 118 ? -37.488 4.941 -31.368 1.00 44.53 ? 688 TYR A CA 1 ATOM 847 C C . TYR A 1 118 ? -36.129 5.475 -31.760 1.00 40.43 ? 688 TYR A C 1 ATOM 848 O O . TYR A 1 118 ? -36.058 6.411 -32.544 1.00 44.25 ? 688 TYR A O 1 ATOM 849 C CB . TYR A 1 118 ? -38.102 4.204 -32.563 1.00 47.31 ? 688 TYR A CB 1 ATOM 850 C CG . TYR A 1 118 ? -39.471 3.537 -32.364 1.00 50.84 ? 688 TYR A CG 1 ATOM 851 C CD1 . TYR A 1 118 ? -39.925 3.108 -31.106 1.00 55.24 ? 688 TYR A CD1 1 ATOM 852 C CD2 . TYR A 1 118 ? -40.315 3.309 -33.471 1.00 56.49 ? 688 TYR A CD2 1 ATOM 853 C CE1 . TYR A 1 118 ? -41.183 2.502 -30.951 1.00 60.14 ? 688 TYR A CE1 1 ATOM 854 C CE2 . TYR A 1 118 ? -41.570 2.698 -33.326 1.00 61.99 ? 688 TYR A CE2 1 ATOM 855 C CZ . TYR A 1 118 ? -42.007 2.293 -32.061 1.00 61.30 ? 688 TYR A CZ 1 ATOM 856 O OH . TYR A 1 118 ? -43.245 1.677 -31.895 1.00 63.22 ? 688 TYR A OH 1 ATOM 857 N N . LEU A 1 119 ? -35.062 4.903 -31.199 1.00 37.76 ? 689 LEU A N 1 ATOM 858 C CA . LEU A 1 119 ? -33.688 5.149 -31.649 1.00 35.92 ? 689 LEU A CA 1 ATOM 859 C C . LEU A 1 119 ? -33.241 3.912 -32.404 1.00 36.67 ? 689 LEU A C 1 ATOM 860 O O . LEU A 1 119 ? -33.264 2.824 -31.849 1.00 39.46 ? 689 LEU A O 1 ATOM 861 C CB . LEU A 1 119 ? -32.735 5.416 -30.478 1.00 39.52 ? 689 LEU A CB 1 ATOM 862 C CG . LEU A 1 119 ? -32.708 6.834 -29.914 1.00 40.40 ? 689 LEU A CG 1 ATOM 863 C CD1 . LEU A 1 119 ? -34.071 7.255 -29.412 1.00 40.76 ? 689 LEU A CD1 1 ATOM 864 C CD2 . LEU A 1 119 ? -31.679 6.900 -28.788 1.00 39.94 ? 689 LEU A CD2 1 ATOM 865 N N . ILE A 1 120 ? -32.797 4.093 -33.645 1.00 37.77 ? 690 ILE A N 1 ATOM 866 C CA . ILE A 1 120 ? -32.507 2.991 -34.556 1.00 38.58 ? 690 ILE A CA 1 ATOM 867 C C . ILE A 1 120 ? -30.988 2.925 -34.645 1.00 35.48 ? 690 ILE A C 1 ATOM 868 O O . ILE A 1 120 ? -30.348 3.889 -35.080 1.00 38.18 ? 690 ILE A O 1 ATOM 869 C CB . ILE A 1 120 ? -33.130 3.219 -35.958 1.00 38.58 ? 690 ILE A CB 1 ATOM 870 C CG1 . ILE A 1 120 ? -34.656 3.427 -35.852 1.00 39.75 ? 690 ILE A CG1 1 ATOM 871 C CG2 . ILE A 1 120 ? -32.831 2.030 -36.874 1.00 37.82 ? 690 ILE A CG2 1 ATOM 872 C CD1 . ILE A 1 120 ? -35.277 4.117 -37.050 1.00 40.88 ? 690 ILE A CD1 1 ATOM 873 N N . PHE A 1 121 ? -30.441 1.778 -34.247 1.00 36.43 ? 691 PHE A N 1 ATOM 874 C CA . PHE A 1 121 ? -29.014 1.483 -34.269 1.00 38.34 ? 691 PHE A CA 1 ATOM 875 C C . PHE A 1 121 ? -28.675 0.333 -35.223 1.00 39.33 ? 691 PHE A C 1 ATOM 876 O O . PHE A 1 121 ? -29.539 -0.495 -35.566 1.00 41.14 ? 691 PHE A O 1 ATOM 877 C CB . PHE A 1 121 ? -28.553 1.058 -32.870 1.00 37.61 ? 691 PHE A CB 1 ATOM 878 C CG . PHE A 1 121 ? -28.623 2.143 -31.847 1.00 39.10 ? 691 PHE A CG 1 ATOM 879 C CD1 . PHE A 1 121 ? -27.562 3.064 -31.705 1.00 42.85 ? 691 PHE A CD1 1 ATOM 880 C CD2 . PHE A 1 121 ? -29.715 2.240 -30.990 1.00 37.21 ? 691 PHE A CD2 1 ATOM 881 C CE1 . PHE A 1 121 ? -27.617 4.065 -30.736 1.00 39.99 ? 691 PHE A CE1 1 ATOM 882 C CE2 . PHE A 1 121 ? -29.769 3.239 -30.009 1.00 42.22 ? 691 PHE A CE2 1 ATOM 883 C CZ . PHE A 1 121 ? -28.724 4.153 -29.886 1.00 38.51 ? 691 PHE A CZ 1 ATOM 884 N N . GLU A 1 122 ? -27.388 0.254 -35.564 1.00 40.22 ? 692 GLU A N 1 ATOM 885 C CA . GLU A 1 122 ? -26.804 -0.900 -36.254 1.00 44.29 ? 692 GLU A CA 1 ATOM 886 C C . GLU A 1 122 ? -27.067 -2.171 -35.459 1.00 43.41 ? 692 GLU A C 1 ATOM 887 O O . GLU A 1 122 ? -26.984 -2.150 -34.223 1.00 43.72 ? 692 GLU A O 1 ATOM 888 C CB . GLU A 1 122 ? -25.288 -0.778 -36.354 1.00 50.21 ? 692 GLU A CB 1 ATOM 889 C CG . GLU A 1 122 ? -24.759 0.325 -37.244 1.00 56.00 ? 692 GLU A CG 1 ATOM 890 C CD . GLU A 1 122 ? -23.253 0.498 -37.125 1.00 55.67 ? 692 GLU A CD 1 ATOM 891 O OE1 . GLU A 1 122 ? -22.705 0.424 -35.993 1.00 44.53 ? 692 GLU A OE1 1 ATOM 892 O OE2 . GLU A 1 122 ? -22.604 0.760 -38.161 1.00 62.48 ? 692 GLU A OE2 1 ATOM 893 N N . TYR A 1 123 ? -27.370 -3.246 -36.181 1.00 39.72 ? 693 TYR A N 1 ATOM 894 C CA . TYR A 1 123 ? -27.614 -4.556 -35.615 1.00 42.68 ? 693 TYR A CA 1 ATOM 895 C C . TYR A 1 123 ? -26.285 -5.295 -35.594 1.00 43.40 ? 693 TYR A C 1 ATOM 896 O O . TYR A 1 123 ? -25.526 -5.252 -36.569 1.00 44.14 ? 693 TYR A O 1 ATOM 897 C CB . TYR A 1 123 ? -28.621 -5.326 -36.475 1.00 46.24 ? 693 TYR A CB 1 ATOM 898 C CG . TYR A 1 123 ? -29.012 -6.695 -35.945 1.00 46.52 ? 693 TYR A CG 1 ATOM 899 C CD1 . TYR A 1 123 ? -29.684 -6.829 -34.721 1.00 48.17 ? 693 TYR A CD1 1 ATOM 900 C CD2 . TYR A 1 123 ? -28.755 -7.854 -36.679 1.00 50.07 ? 693 TYR A CD2 1 ATOM 901 C CE1 . TYR A 1 123 ? -30.056 -8.082 -34.231 1.00 53.86 ? 693 TYR A CE1 1 ATOM 902 C CE2 . TYR A 1 123 ? -29.136 -9.122 -36.208 1.00 56.24 ? 693 TYR A CE2 1 ATOM 903 C CZ . TYR A 1 123 ? -29.783 -9.235 -34.979 1.00 57.12 ? 693 TYR A CZ 1 ATOM 904 O OH . TYR A 1 123 ? -30.158 -10.472 -34.495 1.00 62.52 ? 693 TYR A OH 1 ATOM 905 N N . CYS A 1 124 ? -26.020 -5.969 -34.481 1.00 45.13 ? 694 CYS A N 1 ATOM 906 C CA . CYS A 1 124 ? -24.811 -6.742 -34.268 1.00 43.09 ? 694 CYS A CA 1 ATOM 907 C C . CYS A 1 124 ? -25.251 -8.196 -34.051 1.00 44.93 ? 694 CYS A C 1 ATOM 908 O O . CYS A 1 124 ? -25.640 -8.580 -32.934 1.00 41.56 ? 694 CYS A O 1 ATOM 909 C CB . CYS A 1 124 ? -24.068 -6.176 -33.078 1.00 43.82 ? 694 CYS A CB 1 ATOM 910 S SG . CYS A 1 124 ? -23.448 -4.506 -33.357 1.00 44.92 ? 694 CYS A SG 1 ATOM 911 N N . CYS A 1 125 ? -25.181 -8.985 -35.126 1.00 43.39 ? 695 CYS A N 1 ATOM 912 C CA . CYS A 1 125 ? -25.875 -10.271 -35.223 1.00 51.60 ? 695 CYS A CA 1 ATOM 913 C C . CYS A 1 125 ? -25.452 -11.339 -34.226 1.00 46.74 ? 695 CYS A C 1 ATOM 914 O O . CYS A 1 125 ? -26.255 -12.205 -33.937 1.00 54.28 ? 695 CYS A O 1 ATOM 915 C CB . CYS A 1 125 ? -25.801 -10.854 -36.673 1.00 56.76 ? 695 CYS A CB 1 ATOM 916 S SG . CYS A 1 125 ? -24.113 -11.140 -37.301 1.00 62.42 ? 695 CYS A SG 1 ATOM 917 N N . TYR A 1 126 ? -24.236 -11.274 -33.690 1.00 48.64 ? 696 TYR A N 1 ATOM 918 C CA . TYR A 1 126 ? -23.764 -12.264 -32.679 1.00 47.78 ? 696 TYR A CA 1 ATOM 919 C C . TYR A 1 126 ? -23.960 -11.883 -31.205 1.00 50.90 ? 696 TYR A C 1 ATOM 920 O O . TYR A 1 126 ? -23.518 -12.629 -30.321 1.00 49.66 ? 696 TYR A O 1 ATOM 921 C CB . TYR A 1 126 ? -22.306 -12.640 -32.971 1.00 49.92 ? 696 TYR A CB 1 ATOM 922 C CG . TYR A 1 126 ? -22.152 -13.255 -34.343 1.00 57.29 ? 696 TYR A CG 1 ATOM 923 C CD1 . TYR A 1 126 ? -22.787 -14.470 -34.658 1.00 59.92 ? 696 TYR A CD1 1 ATOM 924 C CD2 . TYR A 1 126 ? -21.424 -12.605 -35.354 1.00 55.71 ? 696 TYR A CD2 1 ATOM 925 C CE1 . TYR A 1 126 ? -22.688 -15.031 -35.933 1.00 61.20 ? 696 TYR A CE1 1 ATOM 926 C CE2 . TYR A 1 126 ? -21.310 -13.164 -36.624 1.00 56.76 ? 696 TYR A CE2 1 ATOM 927 C CZ . TYR A 1 126 ? -21.937 -14.374 -36.901 1.00 60.07 ? 696 TYR A CZ 1 ATOM 928 O OH . TYR A 1 126 ? -21.829 -14.922 -38.135 1.00 62.32 ? 696 TYR A OH 1 ATOM 929 N N . GLY A 1 127 ? -24.629 -10.754 -30.921 1.00 47.20 ? 697 GLY A N 1 ATOM 930 C CA . GLY A 1 127 ? -24.963 -10.383 -29.523 1.00 40.77 ? 697 GLY A CA 1 ATOM 931 C C . GLY A 1 127 ? -23.765 -9.892 -28.745 1.00 39.25 ? 697 GLY A C 1 ATOM 932 O O . GLY A 1 127 ? -22.767 -9.459 -29.337 1.00 39.81 ? 697 GLY A O 1 ATOM 933 N N . ASP A 1 128 ? -23.853 -9.960 -27.417 1.00 35.83 ? 698 ASP A N 1 ATOM 934 C CA . ASP A 1 128 ? -22.823 -9.381 -26.563 1.00 36.59 ? 698 ASP A CA 1 ATOM 935 C C . ASP A 1 128 ? -21.566 -10.261 -26.528 1.00 37.61 ? 698 ASP A C 1 ATOM 936 O O . ASP A 1 128 ? -21.641 -11.499 -26.648 1.00 36.69 ? 698 ASP A O 1 ATOM 937 C CB . ASP A 1 128 ? -23.337 -9.100 -25.139 1.00 38.05 ? 698 ASP A CB 1 ATOM 938 C CG . ASP A 1 128 ? -23.601 -10.368 -24.340 1.00 37.64 ? 698 ASP A CG 1 ATOM 939 O OD1 . ASP A 1 128 ? -24.637 -11.004 -24.552 1.00 44.00 ? 698 ASP A OD1 1 ATOM 940 O OD2 . ASP A 1 128 ? -22.749 -10.743 -23.520 1.00 42.04 ? 698 ASP A OD2 1 ATOM 941 N N . LEU A 1 129 ? -20.437 -9.595 -26.339 1.00 33.15 ? 699 LEU A N 1 ATOM 942 C CA . LEU A 1 129 ? -19.132 -10.237 -26.329 1.00 38.88 ? 699 LEU A CA 1 ATOM 943 C C . LEU A 1 129 ? -18.947 -11.243 -25.175 1.00 38.35 ? 699 LEU A C 1 ATOM 944 O O . LEU A 1 129 ? -18.255 -12.249 -25.359 1.00 37.77 ? 699 LEU A O 1 ATOM 945 C CB . LEU A 1 129 ? -18.016 -9.169 -26.311 1.00 32.83 ? 699 LEU A CB 1 ATOM 946 C CG . LEU A 1 129 ? -16.557 -9.619 -26.199 1.00 32.90 ? 699 LEU A CG 1 ATOM 947 C CD1 . LEU A 1 129 ? -16.103 -10.425 -27.396 1.00 38.19 ? 699 LEU A CD1 1 ATOM 948 C CD2 . LEU A 1 129 ? -15.641 -8.429 -25.993 1.00 37.32 ? 699 LEU A CD2 1 ATOM 949 N N . LEU A 1 130 ? -19.535 -10.974 -24.005 1.00 38.65 ? 700 LEU A N 1 ATOM 950 C CA . LEU A 1 130 ? -19.426 -11.902 -22.862 1.00 39.84 ? 700 LEU A CA 1 ATOM 951 C C . LEU A 1 130 ? -20.021 -13.266 -23.148 1.00 38.09 ? 700 LEU A C 1 ATOM 952 O O . LEU A 1 130 ? -19.334 -14.278 -22.964 1.00 38.13 ? 700 LEU A O 1 ATOM 953 C CB . LEU A 1 130 ? -20.071 -11.339 -21.589 1.00 37.47 ? 700 LEU A CB 1 ATOM 954 C CG . LEU A 1 130 ? -19.901 -12.154 -20.307 1.00 38.21 ? 700 LEU A CG 1 ATOM 955 C CD1 . LEU A 1 130 ? -18.433 -12.279 -19.958 1.00 39.33 ? 700 LEU A CD1 1 ATOM 956 C CD2 . LEU A 1 130 ? -20.668 -11.508 -19.171 1.00 37.04 ? 700 LEU A CD2 1 ATOM 957 N N . ASN A 1 131 ? -21.286 -13.280 -23.584 1.00 39.81 ? 701 ASN A N 1 ATOM 958 C CA . ASN A 1 131 ? -21.966 -14.517 -24.058 1.00 44.64 ? 701 ASN A CA 1 ATOM 959 C C . ASN A 1 131 ? -21.267 -15.166 -25.253 1.00 43.32 ? 701 ASN A C 1 ATOM 960 O O . ASN A 1 131 ? -21.269 -16.393 -25.384 1.00 45.01 ? 701 ASN A O 1 ATOM 961 C CB . ASN A 1 131 ? -23.454 -14.276 -24.400 1.00 49.81 ? 701 ASN A CB 1 ATOM 962 C CG . ASN A 1 131 ? -24.345 -14.218 -23.155 1.00 62.31 ? 701 ASN A CG 1 ATOM 963 O OD1 . ASN A 1 131 ? -24.348 -15.147 -22.339 1.00 56.35 ? 701 ASN A OD1 1 ATOM 964 N ND2 . ASN A 1 131 ? -25.128 -13.145 -23.019 1.00 57.35 ? 701 ASN A ND2 1 ATOM 965 N N . TYR A 1 132 ? -20.686 -14.343 -26.121 1.00 42.35 ? 702 TYR A N 1 ATOM 966 C CA . TYR A 1 132 ? -19.940 -14.844 -27.283 1.00 45.84 ? 702 TYR A CA 1 ATOM 967 C C . TYR A 1 132 ? -18.711 -15.625 -26.813 1.00 44.46 ? 702 TYR A C 1 ATOM 968 O O . TYR A 1 132 ? -18.522 -16.765 -27.206 1.00 48.95 ? 702 TYR A O 1 ATOM 969 C CB . TYR A 1 132 ? -19.534 -13.686 -28.201 1.00 42.21 ? 702 TYR A CB 1 ATOM 970 C CG . TYR A 1 132 ? -18.774 -14.084 -29.444 1.00 45.34 ? 702 TYR A CG 1 ATOM 971 C CD1 . TYR A 1 132 ? -19.444 -14.393 -30.633 1.00 48.14 ? 702 TYR A CD1 1 ATOM 972 C CD2 . TYR A 1 132 ? -17.373 -14.125 -29.440 1.00 47.04 ? 702 TYR A CD2 1 ATOM 973 C CE1 . TYR A 1 132 ? -18.738 -14.739 -31.783 1.00 50.85 ? 702 TYR A CE1 1 ATOM 974 C CE2 . TYR A 1 132 ? -16.659 -14.491 -30.574 1.00 47.55 ? 702 TYR A CE2 1 ATOM 975 C CZ . TYR A 1 132 ? -17.339 -14.787 -31.742 1.00 50.14 ? 702 TYR A CZ 1 ATOM 976 O OH . TYR A 1 132 ? -16.614 -15.119 -32.851 1.00 56.34 ? 702 TYR A OH 1 ATOM 977 N N . LEU A 1 133 ? -17.901 -14.993 -25.973 1.00 43.53 ? 703 LEU A N 1 ATOM 978 C CA . LEU A 1 133 ? -16.720 -15.633 -25.382 1.00 44.73 ? 703 LEU A CA 1 ATOM 979 C C . LEU A 1 133 ? -17.092 -16.929 -24.665 1.00 43.29 ? 703 LEU A C 1 ATOM 980 O O . LEU A 1 133 ? -16.455 -17.963 -24.879 1.00 47.49 ? 703 LEU A O 1 ATOM 981 C CB . LEU A 1 133 ? -16.009 -14.674 -24.429 1.00 43.26 ? 703 LEU A CB 1 ATOM 982 C CG . LEU A 1 133 ? -15.295 -13.461 -25.051 1.00 44.31 ? 703 LEU A CG 1 ATOM 983 C CD1 . LEU A 1 133 ? -14.955 -12.465 -23.965 1.00 41.32 ? 703 LEU A CD1 1 ATOM 984 C CD2 . LEU A 1 133 ? -14.046 -13.829 -25.816 1.00 48.56 ? 703 LEU A CD2 1 ATOM 985 N N . ARG A 1 134 ? -18.167 -16.884 -23.880 1.00 46.05 ? 704 ARG A N 1 ATOM 986 C CA . ARG A 1 134 ? -18.633 -18.054 -23.116 1.00 44.22 ? 704 ARG A CA 1 ATOM 987 C C . ARG A 1 134 ? -19.085 -19.210 -23.981 1.00 49.08 ? 704 ARG A C 1 ATOM 988 O O . ARG A 1 134 ? -18.830 -20.352 -23.627 1.00 46.48 ? 704 ARG A O 1 ATOM 989 C CB . ARG A 1 134 ? -19.745 -17.669 -22.149 1.00 45.70 ? 704 ARG A CB 1 ATOM 990 C CG . ARG A 1 134 ? -19.208 -16.858 -20.995 1.00 43.79 ? 704 ARG A CG 1 ATOM 991 C CD . ARG A 1 134 ? -20.294 -16.169 -20.215 1.00 43.85 ? 704 ARG A CD 1 ATOM 992 N NE . ARG A 1 134 ? -19.729 -15.639 -18.993 1.00 41.75 ? 704 ARG A NE 1 ATOM 993 C CZ . ARG A 1 134 ? -20.410 -15.135 -17.965 1.00 40.82 ? 704 ARG A CZ 1 ATOM 994 N NH1 . ARG A 1 134 ? -21.748 -15.054 -17.971 1.00 38.28 ? 704 ARG A NH1 1 ATOM 995 N NH2 . ARG A 1 134 ? -19.718 -14.716 -16.902 1.00 38.73 ? 704 ARG A NH2 1 ATOM 996 N N . SER A 1 135 ? -19.728 -18.908 -25.110 1.00 46.98 ? 705 SER A N 1 ATOM 997 C CA . SER A 1 135 ? -20.164 -19.942 -26.049 1.00 51.73 ? 705 SER A CA 1 ATOM 998 C C . SER A 1 135 ? -19.014 -20.581 -26.842 1.00 53.95 ? 705 SER A C 1 ATOM 999 O O . SER A 1 135 ? -19.236 -21.602 -27.490 1.00 59.11 ? 705 SER A O 1 ATOM 1000 C CB . SER A 1 135 ? -21.179 -19.370 -27.040 1.00 51.24 ? 705 SER A CB 1 ATOM 1001 O OG . SER A 1 135 ? -20.533 -18.456 -27.909 1.00 55.89 ? 705 SER A OG 1 ATOM 1002 N N . LYS A 1 136 ? -17.836 -19.947 -26.848 1.00 56.48 ? 706 LYS A N 1 ATOM 1003 C CA . LYS A 1 136 ? -16.649 -20.421 -27.572 1.00 61.19 ? 706 LYS A CA 1 ATOM 1004 C C . LYS A 1 136 ? -15.622 -21.138 -26.696 1.00 59.64 ? 706 LYS A C 1 ATOM 1005 O O . LYS A 1 136 ? -14.533 -21.429 -27.183 1.00 64.75 ? 706 LYS A O 1 ATOM 1006 C CB . LYS A 1 136 ? -15.960 -19.231 -28.274 1.00 58.82 ? 706 LYS A CB 1 ATOM 1007 C CG . LYS A 1 136 ? -16.826 -18.492 -29.279 1.00 62.51 ? 706 LYS A CG 1 ATOM 1008 C CD . LYS A 1 136 ? -17.088 -19.274 -30.540 1.00 66.10 ? 706 LYS A CD 1 ATOM 1009 C CE . LYS A 1 136 ? -17.978 -18.484 -31.497 1.00 65.84 ? 706 LYS A CE 1 ATOM 1010 N NZ . LYS A 1 136 ? -18.872 -19.393 -32.265 1.00 73.96 ? 706 LYS A NZ 1 ATOM 1011 N N . ARG A 1 137 ? -15.955 -21.438 -25.435 1.00 61.38 ? 707 ARG A N 1 ATOM 1012 C CA . ARG A 1 137 ? -15.002 -22.063 -24.485 1.00 65.17 ? 707 ARG A CA 1 ATOM 1013 C C . ARG A 1 137 ? -14.537 -23.465 -24.841 1.00 64.39 ? 707 ARG A C 1 ATOM 1014 O O . ARG A 1 137 ? -13.374 -23.804 -24.597 1.00 65.35 ? 707 ARG A O 1 ATOM 1015 C CB . ARG A 1 137 ? -15.587 -22.132 -23.068 1.00 63.31 ? 707 ARG A CB 1 ATOM 1016 C CG . ARG A 1 137 ? -15.610 -20.807 -22.374 1.00 58.22 ? 707 ARG A CG 1 ATOM 1017 C CD . ARG A 1 137 ? -16.073 -20.955 -20.945 1.00 51.86 ? 707 ARG A CD 1 ATOM 1018 N NE . ARG A 1 137 ? -16.029 -19.661 -20.277 1.00 47.51 ? 707 ARG A NE 1 ATOM 1019 C CZ . ARG A 1 137 ? -16.467 -19.410 -19.042 1.00 46.00 ? 707 ARG A CZ 1 ATOM 1020 N NH1 . ARG A 1 137 ? -17.000 -20.361 -18.272 1.00 46.78 ? 707 ARG A NH1 1 ATOM 1021 N NH2 . ARG A 1 137 ? -16.371 -18.183 -18.570 1.00 44.88 ? 707 ARG A NH2 1 ATOM 1022 N N . GLU A 1 138 ? -15.462 -24.292 -25.319 1.00 71.43 ? 708 GLU A N 1 ATOM 1023 C CA . GLU A 1 138 ? -15.112 -25.627 -25.839 1.00 81.66 ? 708 GLU A CA 1 ATOM 1024 C C . GLU A 1 138 ? -14.415 -25.524 -27.202 1.00 82.89 ? 708 GLU A C 1 ATOM 1025 O O . GLU A 1 138 ? -13.557 -26.340 -27.500 1.00 88.51 ? 708 GLU A O 1 ATOM 1026 C CB . GLU A 1 138 ? -16.340 -26.547 -25.937 1.00 92.58 ? 708 GLU A CB 1 ATOM 1027 C CG . GLU A 1 138 ? -16.836 -27.077 -24.601 1.00 96.39 ? 708 GLU A CG 1 ATOM 1028 N N . LYS A 1 139 ? -14.769 -24.508 -27.998 1.00 84.44 ? 709 LYS A N 1 ATOM 1029 C CA . LYS A 1 139 ? -14.271 -24.322 -29.371 1.00 84.12 ? 709 LYS A CA 1 ATOM 1030 C C . LYS A 1 139 ? -13.083 -23.332 -29.500 1.00 80.80 ? 709 LYS A C 1 ATOM 1031 O O . LYS A 1 139 ? -12.950 -22.666 -30.539 1.00 87.27 ? 709 LYS A O 1 ATOM 1032 C CB . LYS A 1 139 ? -15.458 -23.870 -30.259 1.00 90.00 ? 709 LYS A CB 1 ATOM 1033 C CG . LYS A 1 139 ? -16.666 -24.803 -30.224 1.00 96.24 ? 709 LYS A CG 1 ATOM 1034 N N . PHE A 1 140 ? -12.233 -23.225 -28.465 1.00 71.47 ? 710 PHE A N 1 ATOM 1035 C CA . PHE A 1 140 ? -11.031 -22.375 -28.506 1.00 66.21 ? 710 PHE A CA 1 ATOM 1036 C C . PHE A 1 140 ? -9.822 -23.216 -28.909 1.00 75.81 ? 710 PHE A C 1 ATOM 1037 O O . PHE A 1 140 ? -9.610 -24.283 -28.342 1.00 80.53 ? 710 PHE A O 1 ATOM 1038 C CB . PHE A 1 140 ? -10.769 -21.697 -27.157 1.00 66.43 ? 710 PHE A CB 1 ATOM 1039 C CG . PHE A 1 140 ? -9.672 -20.665 -27.207 1.00 64.79 ? 710 PHE A CG 1 ATOM 1040 C CD1 . PHE A 1 140 ? -9.955 -19.343 -27.533 1.00 62.82 ? 710 PHE A CD1 1 ATOM 1041 C CD2 . PHE A 1 140 ? -8.338 -21.023 -26.969 1.00 70.08 ? 710 PHE A CD2 1 ATOM 1042 C CE1 . PHE A 1 140 ? -8.937 -18.392 -27.601 1.00 63.00 ? 710 PHE A CE1 1 ATOM 1043 C CE2 . PHE A 1 140 ? -7.317 -20.075 -27.039 1.00 67.06 ? 710 PHE A CE2 1 ATOM 1044 C CZ . PHE A 1 140 ? -7.616 -18.759 -27.346 1.00 60.47 ? 710 PHE A CZ 1 ATOM 1045 N N . SER A 1 141 ? -9.027 -22.715 -29.860 1.00 83.51 ? 762 SER A N 1 ATOM 1046 C CA . SER A 1 141 ? -7.810 -23.387 -30.359 1.00 91.09 ? 762 SER A CA 1 ATOM 1047 C C . SER A 1 141 ? -6.552 -22.721 -29.804 1.00 94.83 ? 762 SER A C 1 ATOM 1048 O O . SER A 1 141 ? -6.282 -21.552 -30.099 1.00 97.70 ? 762 SER A O 1 ATOM 1049 C CB . SER A 1 141 ? -7.785 -23.350 -31.892 1.00 94.92 ? 762 SER A CB 1 ATOM 1050 O OG . SER A 1 141 ? -6.638 -24.013 -32.415 1.00 103.60 ? 762 SER A OG 1 ATOM 1051 N N . ASN A 1 160 ? -16.567 -20.496 -36.773 1.00 96.84 ? 781 ASN A N 1 ATOM 1052 C CA . ASN A 1 160 ? -16.809 -21.373 -35.624 1.00 103.01 ? 781 ASN A CA 1 ATOM 1053 C C . ASN A 1 160 ? -15.736 -21.279 -34.513 1.00 104.56 ? 781 ASN A C 1 ATOM 1054 O O . ASN A 1 160 ? -16.076 -21.040 -33.346 1.00 105.58 ? 781 ASN A O 1 ATOM 1055 C CB . ASN A 1 160 ? -16.939 -22.823 -36.094 1.00 101.60 ? 781 ASN A CB 1 ATOM 1056 N N . VAL A 1 161 ? -14.462 -21.450 -34.889 1.00 92.24 ? 782 VAL A N 1 ATOM 1057 C CA . VAL A 1 161 ? -13.329 -21.558 -33.936 1.00 85.27 ? 782 VAL A CA 1 ATOM 1058 C C . VAL A 1 161 ? -12.806 -20.165 -33.494 1.00 72.96 ? 782 VAL A C 1 ATOM 1059 O O . VAL A 1 161 ? -12.648 -19.261 -34.310 1.00 74.37 ? 782 VAL A O 1 ATOM 1060 C CB . VAL A 1 161 ? -12.174 -22.428 -34.526 1.00 93.63 ? 782 VAL A CB 1 ATOM 1061 C CG1 . VAL A 1 161 ? -11.031 -22.627 -33.527 1.00 90.24 ? 782 VAL A CG1 1 ATOM 1062 C CG2 . VAL A 1 161 ? -12.695 -23.801 -34.965 1.00 97.15 ? 782 VAL A CG2 1 ATOM 1063 N N . LEU A 1 162 ? -12.536 -20.023 -32.196 1.00 66.94 ? 783 LEU A N 1 ATOM 1064 C CA . LEU A 1 162 ? -11.911 -18.827 -31.621 1.00 61.62 ? 783 LEU A CA 1 ATOM 1065 C C . LEU A 1 162 ? -10.426 -19.084 -31.350 1.00 59.03 ? 783 LEU A C 1 ATOM 1066 O O . LEU A 1 162 ? -10.065 -20.162 -30.894 1.00 63.39 ? 783 LEU A O 1 ATOM 1067 C CB . LEU A 1 162 ? -12.642 -18.423 -30.332 1.00 59.10 ? 783 LEU A CB 1 ATOM 1068 C CG . LEU A 1 162 ? -12.420 -17.000 -29.818 1.00 57.92 ? 783 LEU A CG 1 ATOM 1069 C CD1 . LEU A 1 162 ? -13.049 -15.971 -30.737 1.00 63.60 ? 783 LEU A CD1 1 ATOM 1070 C CD2 . LEU A 1 162 ? -13.010 -16.857 -28.430 1.00 62.73 ? 783 LEU A CD2 1 ATOM 1071 N N . THR A 1 163 ? -9.582 -18.087 -31.625 1.00 58.07 ? 784 THR A N 1 ATOM 1072 C CA . THR A 1 163 ? -8.127 -18.163 -31.418 1.00 57.92 ? 784 THR A CA 1 ATOM 1073 C C . THR A 1 163 ? -7.630 -17.058 -30.508 1.00 54.45 ? 784 THR A C 1 ATOM 1074 O O . THR A 1 163 ? -8.347 -16.085 -30.262 1.00 49.63 ? 784 THR A O 1 ATOM 1075 C CB . THR A 1 163 ? -7.379 -18.001 -32.748 1.00 63.99 ? 784 THR A CB 1 ATOM 1076 O OG1 . THR A 1 163 ? -7.707 -16.735 -33.330 1.00 66.65 ? 784 THR A OG1 1 ATOM 1077 C CG2 . THR A 1 163 ? -7.756 -19.093 -33.708 1.00 64.54 ? 784 THR A CG2 1 ATOM 1078 N N . PHE A 1 164 ? -6.390 -17.208 -30.034 1.00 55.32 ? 785 PHE A N 1 ATOM 1079 C CA . PHE A 1 164 ? -5.665 -16.142 -29.312 1.00 57.65 ? 785 PHE A CA 1 ATOM 1080 C C . PHE A 1 164 ? -5.602 -14.804 -30.089 1.00 55.51 ? 785 PHE A C 1 ATOM 1081 O O . PHE A 1 164 ? -5.741 -13.732 -29.502 1.00 51.45 ? 785 PHE A O 1 ATOM 1082 C CB . PHE A 1 164 ? -4.240 -16.605 -28.931 1.00 59.33 ? 785 PHE A CB 1 ATOM 1083 C CG . PHE A 1 164 ? -3.407 -15.526 -28.280 1.00 56.28 ? 785 PHE A CG 1 ATOM 1084 C CD1 . PHE A 1 164 ? -3.673 -15.113 -26.975 1.00 54.86 ? 785 PHE A CD1 1 ATOM 1085 C CD2 . PHE A 1 164 ? -2.381 -14.890 -28.986 1.00 60.70 ? 785 PHE A CD2 1 ATOM 1086 C CE1 . PHE A 1 164 ? -2.913 -14.100 -26.378 1.00 57.26 ? 785 PHE A CE1 1 ATOM 1087 C CE2 . PHE A 1 164 ? -1.624 -13.877 -28.401 1.00 59.51 ? 785 PHE A CE2 1 ATOM 1088 C CZ . PHE A 1 164 ? -1.890 -13.477 -27.101 1.00 58.00 ? 785 PHE A CZ 1 ATOM 1089 N N . GLU A 1 165 ? -5.418 -14.895 -31.398 1.00 57.19 ? 786 GLU A N 1 ATOM 1090 C CA . GLU A 1 165 ? -5.334 -13.727 -32.267 1.00 60.45 ? 786 GLU A CA 1 ATOM 1091 C C . GLU A 1 165 ? -6.679 -12.957 -32.289 1.00 54.10 ? 786 GLU A C 1 ATOM 1092 O O . GLU A 1 165 ? -6.692 -11.722 -32.186 1.00 48.97 ? 786 GLU A O 1 ATOM 1093 C CB . GLU A 1 165 ? -4.877 -14.133 -33.687 1.00 67.38 ? 786 GLU A CB 1 ATOM 1094 C CG . GLU A 1 165 ? -3.392 -14.535 -33.796 1.00 83.01 ? 786 GLU A CG 1 ATOM 1095 C CD . GLU A 1 165 ? -3.008 -15.922 -33.220 1.00 89.25 ? 786 GLU A CD 1 ATOM 1096 O OE1 . GLU A 1 165 ? -3.868 -16.826 -33.077 1.00 79.70 ? 786 GLU A OE1 1 ATOM 1097 O OE2 . GLU A 1 165 ? -1.815 -16.118 -32.903 1.00 99.06 ? 786 GLU A OE2 1 ATOM 1098 N N . ASP A 1 166 ? -7.791 -13.694 -32.367 1.00 49.31 ? 787 ASP A N 1 ATOM 1099 C CA . ASP A 1 166 ? -9.143 -13.110 -32.253 1.00 49.12 ? 787 ASP A CA 1 ATOM 1100 C C . ASP A 1 166 ? -9.360 -12.343 -30.935 1.00 46.20 ? 787 ASP A C 1 ATOM 1101 O O . ASP A 1 166 ? -9.949 -11.261 -30.935 1.00 43.80 ? 787 ASP A O 1 ATOM 1102 C CB . ASP A 1 166 ? -10.237 -14.193 -32.404 1.00 51.76 ? 787 ASP A CB 1 ATOM 1103 C CG . ASP A 1 166 ? -10.265 -14.843 -33.789 1.00 57.24 ? 787 ASP A CG 1 ATOM 1104 O OD1 . ASP A 1 166 ? -9.836 -14.215 -34.777 1.00 64.14 ? 787 ASP A OD1 1 ATOM 1105 O OD2 . ASP A 1 166 ? -10.723 -16.004 -33.889 1.00 63.11 ? 787 ASP A OD2 1 ATOM 1106 N N . LEU A 1 167 ? -8.865 -12.897 -29.826 1.00 43.41 ? 788 LEU A N 1 ATOM 1107 C CA . LEU A 1 167 ? -8.956 -12.241 -28.516 1.00 43.69 ? 788 LEU A CA 1 ATOM 1108 C C . LEU A 1 167 ? -8.175 -10.923 -28.497 1.00 42.18 ? 788 LEU A C 1 ATOM 1109 O O . LEU A 1 167 ? -8.654 -9.899 -28.005 1.00 43.42 ? 788 LEU A O 1 ATOM 1110 C CB . LEU A 1 167 ? -8.461 -13.173 -27.388 1.00 43.44 ? 788 LEU A CB 1 ATOM 1111 C CG . LEU A 1 167 ? -9.182 -14.513 -27.143 1.00 44.85 ? 788 LEU A CG 1 ATOM 1112 C CD1 . LEU A 1 167 ? -8.613 -15.184 -25.904 1.00 44.53 ? 788 LEU A CD1 1 ATOM 1113 C CD2 . LEU A 1 167 ? -10.689 -14.362 -26.982 1.00 44.65 ? 788 LEU A CD2 1 ATOM 1114 N N . LEU A 1 168 ? -6.973 -10.978 -29.041 1.00 44.08 ? 789 LEU A N 1 ATOM 1115 C CA . LEU A 1 168 ? -6.115 -9.798 -29.230 1.00 46.78 ? 789 LEU A CA 1 ATOM 1116 C C . LEU A 1 168 ? -6.788 -8.750 -30.131 1.00 46.28 ? 789 LEU A C 1 ATOM 1117 O O . LEU A 1 168 ? -6.756 -7.552 -29.829 1.00 45.00 ? 789 LEU A O 1 ATOM 1118 C CB . LEU A 1 168 ? -4.764 -10.243 -29.816 1.00 55.23 ? 789 LEU A CB 1 ATOM 1119 C CG . LEU A 1 168 ? -3.437 -9.595 -29.447 1.00 62.30 ? 789 LEU A CG 1 ATOM 1120 C CD1 . LEU A 1 168 ? -3.310 -9.324 -27.959 1.00 58.91 ? 789 LEU A CD1 1 ATOM 1121 C CD2 . LEU A 1 168 ? -2.315 -10.519 -29.919 1.00 64.79 ? 789 LEU A CD2 1 ATOM 1122 N N . CYS A 1 169 ? -7.426 -9.215 -31.207 1.00 45.92 ? 790 CYS A N 1 ATOM 1123 C CA . CYS A 1 169 ? -8.167 -8.334 -32.101 1.00 47.58 ? 790 CYS A CA 1 ATOM 1124 C C . CYS A 1 169 ? -9.353 -7.638 -31.404 1.00 46.39 ? 790 CYS A C 1 ATOM 1125 O O . CYS A 1 169 ? -9.567 -6.428 -31.587 1.00 41.50 ? 790 CYS A O 1 ATOM 1126 C CB . CYS A 1 169 ? -8.653 -9.092 -33.331 1.00 52.75 ? 790 CYS A CB 1 ATOM 1127 S SG . CYS A 1 169 ? -9.277 -7.987 -34.595 1.00 64.87 ? 790 CYS A SG 1 ATOM 1128 N N . PHE A 1 170 ? -10.101 -8.398 -30.609 1.00 43.73 ? 791 PHE A N 1 ATOM 1129 C CA . PHE A 1 170 ? -11.207 -7.845 -29.821 1.00 42.80 ? 791 PHE A CA 1 ATOM 1130 C C . PHE A 1 170 ? -10.724 -6.770 -28.859 1.00 43.59 ? 791 PHE A C 1 ATOM 1131 O O . PHE A 1 170 ? -11.332 -5.695 -28.778 1.00 42.88 ? 791 PHE A O 1 ATOM 1132 C CB . PHE A 1 170 ? -11.946 -8.924 -29.016 1.00 39.50 ? 791 PHE A CB 1 ATOM 1133 C CG . PHE A 1 170 ? -12.684 -9.965 -29.841 1.00 40.21 ? 791 PHE A CG 1 ATOM 1134 C CD1 . PHE A 1 170 ? -13.193 -9.711 -31.127 1.00 43.02 ? 791 PHE A CD1 1 ATOM 1135 C CD2 . PHE A 1 170 ? -12.934 -11.215 -29.270 1.00 44.89 ? 791 PHE A CD2 1 ATOM 1136 C CE1 . PHE A 1 170 ? -13.898 -10.692 -31.827 1.00 47.63 ? 791 PHE A CE1 1 ATOM 1137 C CE2 . PHE A 1 170 ? -13.635 -12.198 -29.966 1.00 49.52 ? 791 PHE A CE2 1 ATOM 1138 C CZ . PHE A 1 170 ? -14.120 -11.935 -31.253 1.00 51.79 ? 791 PHE A CZ 1 ATOM 1139 N N . ALA A 1 171 ? -9.625 -7.049 -28.162 1.00 39.53 ? 792 ALA A N 1 ATOM 1140 C CA . ALA A 1 171 ? -9.015 -6.072 -27.261 1.00 38.06 ? 792 ALA A CA 1 ATOM 1141 C C . ALA A 1 171 ? -8.617 -4.786 -27.989 1.00 36.86 ? 792 ALA A C 1 ATOM 1142 O O . ALA A 1 171 ? -8.937 -3.696 -27.536 1.00 36.51 ? 792 ALA A O 1 ATOM 1143 C CB . ALA A 1 171 ? -7.803 -6.674 -26.559 1.00 40.40 ? 792 ALA A CB 1 ATOM 1144 N N . TYR A 1 172 ? -7.934 -4.941 -29.115 1.00 39.07 ? 793 TYR A N 1 ATOM 1145 C CA . TYR A 1 172 ? -7.541 -3.820 -29.977 1.00 40.69 ? 793 TYR A CA 1 ATOM 1146 C C . TYR A 1 172 ? -8.732 -2.975 -30.411 1.00 38.36 ? 793 TYR A C 1 ATOM 1147 O O . TYR A 1 172 ? -8.679 -1.754 -30.319 1.00 37.28 ? 793 TYR A O 1 ATOM 1148 C CB . TYR A 1 172 ? -6.761 -4.314 -31.196 1.00 43.97 ? 793 TYR A CB 1 ATOM 1149 C CG . TYR A 1 172 ? -6.370 -3.234 -32.184 1.00 47.77 ? 793 TYR A CG 1 ATOM 1150 C CD1 . TYR A 1 172 ? -5.322 -2.345 -31.903 1.00 52.37 ? 793 TYR A CD1 1 ATOM 1151 C CD2 . TYR A 1 172 ? -7.051 -3.091 -33.407 1.00 54.59 ? 793 TYR A CD2 1 ATOM 1152 C CE1 . TYR A 1 172 ? -4.952 -1.347 -32.816 1.00 53.65 ? 793 TYR A CE1 1 ATOM 1153 C CE2 . TYR A 1 172 ? -6.691 -2.102 -34.326 1.00 61.15 ? 793 TYR A CE2 1 ATOM 1154 C CZ . TYR A 1 172 ? -5.642 -1.233 -34.026 1.00 60.06 ? 793 TYR A CZ 1 ATOM 1155 O OH . TYR A 1 172 ? -5.292 -0.260 -34.923 1.00 61.21 ? 793 TYR A OH 1 ATOM 1156 N N . GLN A 1 173 ? -9.803 -3.633 -30.836 1.00 39.14 ? 794 GLN A N 1 ATOM 1157 C CA . GLN A 1 173 ? -10.993 -2.929 -31.322 1.00 39.81 ? 794 GLN A CA 1 ATOM 1158 C C . GLN A 1 173 ? -11.716 -2.121 -30.251 1.00 37.32 ? 794 GLN A C 1 ATOM 1159 O O . GLN A 1 173 ? -12.148 -0.982 -30.496 1.00 37.74 ? 794 GLN A O 1 ATOM 1160 C CB . GLN A 1 173 ? -11.948 -3.893 -31.997 1.00 42.20 ? 794 GLN A CB 1 ATOM 1161 C CG . GLN A 1 173 ? -11.478 -4.365 -33.351 1.00 41.46 ? 794 GLN A CG 1 ATOM 1162 C CD . GLN A 1 173 ? -12.503 -5.291 -33.928 1.00 42.51 ? 794 GLN A CD 1 ATOM 1163 O OE1 . GLN A 1 173 ? -13.554 -4.832 -34.359 1.00 41.82 ? 794 GLN A OE1 1 ATOM 1164 N NE2 . GLN A 1 173 ? -12.261 -6.598 -33.864 1.00 46.61 ? 794 GLN A NE2 1 ATOM 1165 N N . VAL A 1 174 ? -11.821 -2.690 -29.063 1.00 34.06 ? 795 VAL A N 1 ATOM 1166 C CA . VAL A 1 174 ? -12.439 -1.988 -27.945 1.00 31.89 ? 795 VAL A CA 1 ATOM 1167 C C . VAL A 1 174 ? -11.611 -0.774 -27.575 1.00 34.50 ? 795 VAL A C 1 ATOM 1168 O O . VAL A 1 174 ? -12.191 0.296 -27.343 1.00 35.56 ? 795 VAL A O 1 ATOM 1169 C CB . VAL A 1 174 ? -12.692 -2.909 -26.729 1.00 32.65 ? 795 VAL A CB 1 ATOM 1170 C CG1 . VAL A 1 174 ? -13.257 -2.127 -25.547 1.00 32.92 ? 795 VAL A CG1 1 ATOM 1171 C CG2 . VAL A 1 174 ? -13.689 -4.000 -27.103 1.00 37.33 ? 795 VAL A CG2 1 ATOM 1172 N N . ALA A 1 175 ? -10.282 -0.927 -27.532 1.00 34.14 ? 796 ALA A N 1 ATOM 1173 C CA . ALA A 1 175 ? -9.388 0.205 -27.277 1.00 36.17 ? 796 ALA A CA 1 ATOM 1174 C C . ALA A 1 175 ? -9.525 1.331 -28.316 1.00 37.57 ? 796 ALA A C 1 ATOM 1175 O O . ALA A 1 175 ? -9.466 2.507 -27.943 1.00 35.89 ? 796 ALA A O 1 ATOM 1176 C CB . ALA A 1 175 ? -7.940 -0.239 -27.219 1.00 37.71 ? 796 ALA A CB 1 ATOM 1177 N N . LYS A 1 176 ? -9.657 0.952 -29.593 1.00 37.74 ? 797 LYS A N 1 ATOM 1178 C CA . LYS A 1 176 ? -9.917 1.902 -30.704 1.00 43.96 ? 797 LYS A CA 1 ATOM 1179 C C . LYS A 1 176 ? -11.234 2.652 -30.496 1.00 39.17 ? 797 LYS A C 1 ATOM 1180 O O . LYS A 1 176 ? -11.291 3.872 -30.674 1.00 41.58 ? 797 LYS A O 1 ATOM 1181 C CB . LYS A 1 176 ? -9.927 1.212 -32.096 1.00 47.47 ? 797 LYS A CB 1 ATOM 1182 C CG . LYS A 1 176 ? -8.634 1.334 -32.871 1.00 59.28 ? 797 LYS A CG 1 ATOM 1183 C CD . LYS A 1 176 ? -8.741 0.644 -34.225 1.00 70.79 ? 797 LYS A CD 1 ATOM 1184 N N . GLY A 1 177 ? -12.275 1.907 -30.131 1.00 36.51 ? 798 GLY A N 1 ATOM 1185 C CA . GLY A 1 177 ? -13.575 2.484 -29.790 1.00 38.81 ? 798 GLY A CA 1 ATOM 1186 C C . GLY A 1 177 ? -13.469 3.498 -28.672 1.00 36.47 ? 798 GLY A C 1 ATOM 1187 O O . GLY A 1 177 ? -13.995 4.606 -28.785 1.00 34.75 ? 798 GLY A O 1 ATOM 1188 N N . MET A 1 178 ? -12.722 3.144 -27.630 1.00 33.78 ? 799 MET A N 1 ATOM 1189 C CA . MET A 1 178 ? -12.509 4.041 -26.498 1.00 34.17 ? 799 MET A CA 1 ATOM 1190 C C . MET A 1 178 ? -11.647 5.230 -26.814 1.00 37.24 ? 799 MET A C 1 ATOM 1191 O O . MET A 1 178 ? -11.883 6.318 -26.267 1.00 37.55 ? 799 MET A O 1 ATOM 1192 C CB . MET A 1 178 ? -11.944 3.280 -25.287 1.00 31.74 ? 799 MET A CB 1 ATOM 1193 C CG . MET A 1 178 ? -12.937 2.308 -24.664 1.00 34.08 ? 799 MET A CG 1 ATOM 1194 S SD . MET A 1 178 ? -14.504 3.053 -24.165 1.00 33.66 ? 799 MET A SD 1 ATOM 1195 C CE . MET A 1 178 ? -13.971 4.340 -23.076 1.00 35.11 ? 799 MET A CE 1 ATOM 1196 N N . GLU A 1 179 ? -10.661 5.035 -27.682 1.00 37.25 ? 800 GLU A N 1 ATOM 1197 C CA . GLU A 1 179 ? -9.840 6.143 -28.168 1.00 40.25 ? 800 GLU A CA 1 ATOM 1198 C C . GLU A 1 179 ? -10.712 7.186 -28.899 1.00 40.49 ? 800 GLU A C 1 ATOM 1199 O O . GLU A 1 179 ? -10.522 8.395 -28.710 1.00 41.27 ? 800 GLU A O 1 ATOM 1200 C CB . GLU A 1 179 ? -8.729 5.633 -29.098 1.00 42.81 ? 800 GLU A CB 1 ATOM 1201 C CG . GLU A 1 179 ? -7.633 6.653 -29.365 1.00 49.62 ? 800 GLU A CG 1 ATOM 1202 C CD . GLU A 1 179 ? -6.631 6.240 -30.444 1.00 54.07 ? 800 GLU A CD 1 ATOM 1203 O OE1 . GLU A 1 179 ? -6.674 5.099 -30.916 1.00 55.02 ? 800 GLU A OE1 1 ATOM 1204 O OE2 . GLU A 1 179 ? -5.787 7.085 -30.821 1.00 62.19 ? 800 GLU A OE2 1 ATOM 1205 N N . PHE A 1 180 ? -11.666 6.704 -29.710 1.00 38.52 ? 801 PHE A N 1 ATOM 1206 C CA . PHE A 1 180 ? -12.659 7.577 -30.378 1.00 39.68 ? 801 PHE A CA 1 ATOM 1207 C C . PHE A 1 180 ? -13.484 8.370 -29.345 1.00 37.67 ? 801 PHE A C 1 ATOM 1208 O O . PHE A 1 180 ? -13.600 9.587 -29.442 1.00 39.47 ? 801 PHE A O 1 ATOM 1209 C CB . PHE A 1 180 ? -13.553 6.750 -31.327 1.00 37.84 ? 801 PHE A CB 1 ATOM 1210 C CG . PHE A 1 180 ? -14.675 7.535 -31.950 1.00 40.00 ? 801 PHE A CG 1 ATOM 1211 C CD1 . PHE A 1 180 ? -14.431 8.381 -33.038 1.00 42.25 ? 801 PHE A CD1 1 ATOM 1212 C CD2 . PHE A 1 180 ? -15.981 7.415 -31.471 1.00 39.31 ? 801 PHE A CD2 1 ATOM 1213 C CE1 . PHE A 1 180 ? -15.463 9.109 -33.624 1.00 46.15 ? 801 PHE A CE1 1 ATOM 1214 C CE2 . PHE A 1 180 ? -17.016 8.144 -32.057 1.00 40.44 ? 801 PHE A CE2 1 ATOM 1215 C CZ . PHE A 1 180 ? -16.760 8.982 -33.136 1.00 41.77 ? 801 PHE A CZ 1 ATOM 1216 N N . LEU A 1 181 ? -13.999 7.680 -28.335 1.00 34.83 ? 802 LEU A N 1 ATOM 1217 C CA . LEU A 1 181 ? -14.748 8.342 -27.257 1.00 34.64 ? 802 LEU A CA 1 ATOM 1218 C C . LEU A 1 181 ? -13.915 9.370 -26.479 1.00 35.36 ? 802 LEU A C 1 ATOM 1219 O O . LEU A 1 181 ? -14.416 10.460 -26.211 1.00 34.94 ? 802 LEU A O 1 ATOM 1220 C CB . LEU A 1 181 ? -15.387 7.301 -26.310 1.00 33.92 ? 802 LEU A CB 1 ATOM 1221 C CG . LEU A 1 181 ? -16.476 6.415 -26.938 1.00 35.20 ? 802 LEU A CG 1 ATOM 1222 C CD1 . LEU A 1 181 ? -16.964 5.464 -25.872 1.00 39.30 ? 802 LEU A CD1 1 ATOM 1223 C CD2 . LEU A 1 181 ? -17.651 7.206 -27.487 1.00 36.57 ? 802 LEU A CD2 1 ATOM 1224 N N . GLU A 1 182 ? -12.659 9.036 -26.157 1.00 37.32 ? 803 GLU A N 1 ATOM 1225 C CA . GLU A 1 182 ? -11.705 10.000 -25.585 1.00 38.36 ? 803 GLU A CA 1 ATOM 1226 C C . GLU A 1 182 ? -11.560 11.267 -26.452 1.00 42.19 ? 803 GLU A C 1 ATOM 1227 O O . GLU A 1 182 ? -11.613 12.399 -25.936 1.00 42.82 ? 803 GLU A O 1 ATOM 1228 C CB . GLU A 1 182 ? -10.316 9.368 -25.320 1.00 41.87 ? 803 GLU A CB 1 ATOM 1229 C CG . GLU A 1 182 ? -9.277 10.395 -24.803 1.00 46.05 ? 803 GLU A CG 1 ATOM 1230 C CD . GLU A 1 182 ? -8.014 9.845 -24.140 1.00 50.25 ? 803 GLU A CD 1 ATOM 1231 O OE1 . GLU A 1 182 ? -7.757 8.620 -24.110 1.00 65.27 ? 803 GLU A OE1 1 ATOM 1232 O OE2 . GLU A 1 182 ? -7.262 10.687 -23.609 1.00 64.18 ? 803 GLU A OE2 1 ATOM 1233 N N . PHE A 1 183 ? -11.384 11.059 -27.751 1.00 39.99 ? 804 PHE A N 1 ATOM 1234 C CA . PHE A 1 183 ? -11.263 12.147 -28.727 1.00 46.63 ? 804 PHE A CA 1 ATOM 1235 C C . PHE A 1 183 ? -12.548 12.990 -28.787 1.00 46.68 ? 804 PHE A C 1 ATOM 1236 O O . PHE A 1 183 ? -12.470 14.188 -28.976 1.00 47.80 ? 804 PHE A O 1 ATOM 1237 C CB . PHE A 1 183 ? -10.881 11.554 -30.113 1.00 48.93 ? 804 PHE A CB 1 ATOM 1238 C CG . PHE A 1 183 ? -10.775 12.565 -31.240 1.00 55.69 ? 804 PHE A CG 1 ATOM 1239 C CD1 . PHE A 1 183 ? -9.635 13.364 -31.385 1.00 60.44 ? 804 PHE A CD1 1 ATOM 1240 C CD2 . PHE A 1 183 ? -11.797 12.675 -32.209 1.00 60.94 ? 804 PHE A CD2 1 ATOM 1241 C CE1 . PHE A 1 183 ? -9.530 14.283 -32.449 1.00 62.99 ? 804 PHE A CE1 1 ATOM 1242 C CE2 . PHE A 1 183 ? -11.694 13.588 -33.271 1.00 67.83 ? 804 PHE A CE2 1 ATOM 1243 C CZ . PHE A 1 183 ? -10.559 14.395 -33.390 1.00 61.75 ? 804 PHE A CZ 1 ATOM 1244 N N . LYS A 1 184 ? -13.715 12.365 -28.597 1.00 43.82 ? 805 LYS A N 1 ATOM 1245 C CA . LYS A 1 184 ? -15.001 13.093 -28.545 1.00 44.32 ? 805 LYS A CA 1 ATOM 1246 C C . LYS A 1 184 ? -15.389 13.672 -27.179 1.00 42.70 ? 805 LYS A C 1 ATOM 1247 O O . LYS A 1 184 ? -16.482 14.196 -27.042 1.00 48.57 ? 805 LYS A O 1 ATOM 1248 C CB . LYS A 1 184 ? -16.123 12.198 -29.109 1.00 44.22 ? 805 LYS A CB 1 ATOM 1249 C CG . LYS A 1 184 ? -15.945 11.862 -30.595 1.00 45.99 ? 805 LYS A CG 1 ATOM 1250 C CD . LYS A 1 184 ? -16.090 13.083 -31.512 1.00 51.37 ? 805 LYS A CD 1 ATOM 1251 C CE . LYS A 1 184 ? -15.638 12.761 -32.928 1.00 53.35 ? 805 LYS A CE 1 ATOM 1252 N NZ . LYS A 1 184 ? -16.441 13.517 -33.900 1.00 59.67 ? 805 LYS A NZ 1 ATOM 1253 N N . SER A 1 185 ? -14.491 13.613 -26.199 1.00 37.89 ? 806 SER A N 1 ATOM 1254 C CA . SER A 1 185 ? -14.718 14.100 -24.856 1.00 41.37 ? 806 SER A CA 1 ATOM 1255 C C . SER A 1 185 ? -15.885 13.350 -24.143 1.00 40.17 ? 806 SER A C 1 ATOM 1256 O O . SER A 1 185 ? -16.721 13.956 -23.476 1.00 44.86 ? 806 SER A O 1 ATOM 1257 C CB . SER A 1 185 ? -14.903 15.644 -24.854 1.00 42.75 ? 806 SER A CB 1 ATOM 1258 O OG . SER A 1 185 ? -14.717 16.073 -23.537 1.00 46.86 ? 806 SER A OG 1 ATOM 1259 N N . CYS A 1 186 ? -15.927 12.036 -24.314 1.00 37.87 ? 807 CYS A N 1 ATOM 1260 C CA . CYS A 1 186 ? -16.954 11.186 -23.713 1.00 39.64 ? 807 CYS A CA 1 ATOM 1261 C C . CYS A 1 186 ? -16.345 10.255 -22.704 1.00 39.57 ? 807 CYS A C 1 ATOM 1262 O O . CYS A 1 186 ? -15.145 10.001 -22.753 1.00 42.65 ? 807 CYS A O 1 ATOM 1263 C CB . CYS A 1 186 ? -17.676 10.370 -24.776 1.00 39.52 ? 807 CYS A CB 1 ATOM 1264 S SG . CYS A 1 186 ? -18.677 11.415 -25.819 1.00 48.82 ? 807 CYS A SG 1 ATOM 1265 N N . VAL A 1 187 ? -17.182 9.782 -21.775 1.00 35.73 ? 808 VAL A N 1 ATOM 1266 C CA . VAL A 1 187 ? -16.847 8.684 -20.866 1.00 36.12 ? 808 VAL A CA 1 ATOM 1267 C C . VAL A 1 187 ? -17.966 7.634 -20.974 1.00 39.74 ? 808 VAL A C 1 ATOM 1268 O O . VAL A 1 187 ? -19.140 7.980 -21.133 1.00 42.83 ? 808 VAL A O 1 ATOM 1269 C CB . VAL A 1 187 ? -16.663 9.144 -19.397 1.00 41.19 ? 808 VAL A CB 1 ATOM 1270 C CG1 . VAL A 1 187 ? -15.489 10.118 -19.281 1.00 47.25 ? 808 VAL A CG1 1 ATOM 1271 C CG2 . VAL A 1 187 ? -17.926 9.779 -18.817 1.00 42.93 ? 808 VAL A CG2 1 ATOM 1272 N N . HIS A 1 188 ? -17.586 6.371 -20.889 1.00 35.45 ? 809 HIS A N 1 ATOM 1273 C CA . HIS A 1 188 ? -18.507 5.255 -20.769 1.00 36.03 ? 809 HIS A CA 1 ATOM 1274 C C . HIS A 1 188 ? -18.533 4.940 -19.273 1.00 38.85 ? 809 HIS A C 1 ATOM 1275 O O . HIS A 1 188 ? -17.543 4.555 -18.680 1.00 36.39 ? 809 HIS A O 1 ATOM 1276 C CB . HIS A 1 188 ? -17.990 4.070 -21.591 1.00 38.85 ? 809 HIS A CB 1 ATOM 1277 C CG . HIS A 1 188 ? -19.061 3.143 -22.071 1.00 46.30 ? 809 HIS A CG 1 ATOM 1278 N ND1 . HIS A 1 188 ? -19.883 2.442 -21.220 1.00 39.97 ? 809 HIS A ND1 1 ATOM 1279 C CD2 . HIS A 1 188 ? -19.435 2.790 -23.319 1.00 50.55 ? 809 HIS A CD2 1 ATOM 1280 C CE1 . HIS A 1 188 ? -20.726 1.711 -21.915 1.00 46.98 ? 809 HIS A CE1 1 ATOM 1281 N NE2 . HIS A 1 188 ? -20.472 1.898 -23.195 1.00 50.40 ? 809 HIS A NE2 1 ATOM 1282 N N . ARG A 1 189 ? -19.668 5.067 -18.638 1.00 37.61 ? 810 ARG A N 1 ATOM 1283 C CA . ARG A 1 189 ? -19.735 4.750 -17.196 1.00 40.09 ? 810 ARG A CA 1 ATOM 1284 C C . ARG A 1 189 ? -19.978 3.254 -16.837 1.00 35.79 ? 810 ARG A C 1 ATOM 1285 O O . ARG A 1 189 ? -20.132 2.913 -15.683 1.00 36.91 ? 810 ARG A O 1 ATOM 1286 C CB . ARG A 1 189 ? -20.745 5.688 -16.566 1.00 40.22 ? 810 ARG A CB 1 ATOM 1287 C CG . ARG A 1 189 ? -20.313 7.133 -16.809 1.00 47.83 ? 810 ARG A CG 1 ATOM 1288 C CD . ARG A 1 189 ? -20.924 8.053 -15.824 1.00 50.29 ? 810 ARG A CD 1 ATOM 1289 N NE . ARG A 1 189 ? -22.352 8.155 -16.029 1.00 53.87 ? 810 ARG A NE 1 ATOM 1290 C CZ . ARG A 1 189 ? -23.171 8.844 -15.247 1.00 65.95 ? 810 ARG A CZ 1 ATOM 1291 N NH1 . ARG A 1 189 ? -22.715 9.484 -14.159 1.00 72.68 ? 810 ARG A NH1 1 ATOM 1292 N NH2 . ARG A 1 189 ? -24.471 8.890 -15.553 1.00 83.32 ? 810 ARG A NH2 1 ATOM 1293 N N . ASP A 1 190 ? -19.869 2.372 -17.826 1.00 33.49 ? 811 ASP A N 1 ATOM 1294 C CA . ASP A 1 190 ? -20.216 0.955 -17.726 1.00 30.31 ? 811 ASP A CA 1 ATOM 1295 C C . ASP A 1 190 ? -19.513 0.121 -18.791 1.00 29.05 ? 811 ASP A C 1 ATOM 1296 O O . ASP A 1 190 ? -20.135 -0.649 -19.504 1.00 32.10 ? 811 ASP A O 1 ATOM 1297 C CB . ASP A 1 190 ? -21.740 0.775 -17.777 1.00 30.56 ? 811 ASP A CB 1 ATOM 1298 C CG . ASP A 1 190 ? -22.190 -0.582 -17.230 1.00 33.95 ? 811 ASP A CG 1 ATOM 1299 O OD1 . ASP A 1 190 ? -21.394 -1.344 -16.626 1.00 30.77 ? 811 ASP A OD1 1 ATOM 1300 O OD2 . ASP A 1 190 ? -23.358 -0.894 -17.436 1.00 33.22 ? 811 ASP A OD2 1 ATOM 1301 N N . LEU A 1 191 ? -18.201 0.309 -18.931 1.00 30.27 ? 812 LEU A N 1 ATOM 1302 C CA . LEU A 1 191 ? -17.440 -0.429 -19.908 1.00 30.22 ? 812 LEU A CA 1 ATOM 1303 C C . LEU A 1 191 ? -17.212 -1.828 -19.303 1.00 30.90 ? 812 LEU A C 1 ATOM 1304 O O . LEU A 1 191 ? -16.707 -1.959 -18.194 1.00 33.01 ? 812 LEU A O 1 ATOM 1305 C CB . LEU A 1 191 ? -16.121 0.241 -20.236 1.00 31.93 ? 812 LEU A CB 1 ATOM 1306 C CG . LEU A 1 191 ? -15.242 -0.462 -21.283 1.00 35.76 ? 812 LEU A CG 1 ATOM 1307 C CD1 . LEU A 1 191 ? -15.919 -0.581 -22.640 1.00 35.14 ? 812 LEU A CD1 1 ATOM 1308 C CD2 . LEU A 1 191 ? -13.927 0.275 -21.418 1.00 38.03 ? 812 LEU A CD2 1 ATOM 1309 N N . ALA A 1 192 ? -17.638 -2.839 -20.037 1.00 32.35 ? 813 ALA A N 1 ATOM 1310 C CA . ALA A 1 192 ? -17.577 -4.259 -19.642 1.00 32.93 ? 813 ALA A CA 1 ATOM 1311 C C . ALA A 1 192 ? -17.897 -5.101 -20.865 1.00 32.45 ? 813 ALA A C 1 ATOM 1312 O O . ALA A 1 192 ? -18.489 -4.578 -21.818 1.00 34.07 ? 813 ALA A O 1 ATOM 1313 C CB . ALA A 1 192 ? -18.587 -4.547 -18.545 1.00 31.20 ? 813 ALA A CB 1 ATOM 1314 N N . ALA A 1 193 ? -17.539 -6.390 -20.849 1.00 29.76 ? 814 ALA A N 1 ATOM 1315 C CA . ALA A 1 193 ? -17.778 -7.271 -22.003 1.00 29.74 ? 814 ALA A CA 1 ATOM 1316 C C . ALA A 1 193 ? -19.248 -7.446 -22.352 1.00 31.26 ? 814 ALA A C 1 ATOM 1317 O O . ALA A 1 193 ? -19.586 -7.617 -23.534 1.00 36.53 ? 814 ALA A O 1 ATOM 1318 C CB . ALA A 1 193 ? -17.106 -8.621 -21.834 1.00 32.25 ? 814 ALA A CB 1 ATOM 1319 N N . ARG A 1 194 ? -20.118 -7.404 -21.341 1.00 30.53 ? 815 ARG A N 1 ATOM 1320 C CA . ARG A 1 194 ? -21.588 -7.354 -21.556 1.00 32.61 ? 815 ARG A CA 1 ATOM 1321 C C . ARG A 1 194 ? -22.116 -6.163 -22.412 1.00 36.50 ? 815 ARG A C 1 ATOM 1322 O O . ARG A 1 194 ? -23.200 -6.267 -22.966 1.00 32.29 ? 815 ARG A O 1 ATOM 1323 C CB . ARG A 1 194 ? -22.344 -7.411 -20.229 1.00 33.49 ? 815 ARG A CB 1 ATOM 1324 C CG . ARG A 1 194 ? -22.115 -6.211 -19.307 1.00 32.07 ? 815 ARG A CG 1 ATOM 1325 C CD . ARG A 1 194 ? -22.970 -6.265 -18.028 1.00 34.66 ? 815 ARG A CD 1 ATOM 1326 N NE . ARG A 1 194 ? -22.498 -5.159 -17.190 1.00 33.20 ? 815 ARG A NE 1 ATOM 1327 C CZ . ARG A 1 194 ? -21.425 -5.172 -16.410 1.00 31.63 ? 815 ARG A CZ 1 ATOM 1328 N NH1 . ARG A 1 194 ? -20.712 -6.281 -16.229 1.00 34.35 ? 815 ARG A NH1 1 ATOM 1329 N NH2 . ARG A 1 194 ? -21.059 -4.056 -15.781 1.00 30.04 ? 815 ARG A NH2 1 ATOM 1330 N N . ASN A 1 195 ? -21.367 -5.054 -22.473 1.00 31.93 ? 816 ASN A N 1 ATOM 1331 C CA . ASN A 1 195 ? -21.704 -3.866 -23.264 1.00 37.91 ? 816 ASN A CA 1 ATOM 1332 C C . ASN A 1 195 ? -20.860 -3.692 -24.545 1.00 39.49 ? 816 ASN A C 1 ATOM 1333 O O . ASN A 1 195 ? -20.765 -2.584 -25.074 1.00 40.71 ? 816 ASN A O 1 ATOM 1334 C CB . ASN A 1 195 ? -21.592 -2.625 -22.347 1.00 36.41 ? 816 ASN A CB 1 ATOM 1335 C CG . ASN A 1 195 ? -22.682 -2.590 -21.295 1.00 37.66 ? 816 ASN A CG 1 ATOM 1336 O OD1 . ASN A 1 195 ? -23.806 -3.022 -21.533 1.00 46.21 ? 816 ASN A OD1 1 ATOM 1337 N ND2 . ASN A 1 195 ? -22.359 -2.078 -20.124 1.00 40.06 ? 816 ASN A ND2 1 ATOM 1338 N N . VAL A 1 196 ? -20.241 -4.779 -25.020 1.00 31.60 ? 817 VAL A N 1 ATOM 1339 C CA . VAL A 1 196 ? -19.567 -4.825 -26.309 1.00 31.74 ? 817 VAL A CA 1 ATOM 1340 C C . VAL A 1 196 ? -20.341 -5.873 -27.119 1.00 36.73 ? 817 VAL A C 1 ATOM 1341 O O . VAL A 1 196 ? -20.681 -6.916 -26.595 1.00 35.71 ? 817 VAL A O 1 ATOM 1342 C CB . VAL A 1 196 ? -18.079 -5.156 -26.155 1.00 33.00 ? 817 VAL A CB 1 ATOM 1343 C CG1 . VAL A 1 196 ? -17.384 -5.244 -27.503 1.00 37.50 ? 817 VAL A CG1 1 ATOM 1344 C CG2 . VAL A 1 196 ? -17.397 -4.083 -25.324 1.00 35.58 ? 817 VAL A CG2 1 ATOM 1345 N N . LEU A 1 197 ? -20.661 -5.554 -28.369 1.00 35.31 ? 818 LEU A N 1 ATOM 1346 C CA . LEU A 1 197 ? -21.398 -6.445 -29.243 1.00 37.79 ? 818 LEU A CA 1 ATOM 1347 C C . LEU A 1 197 ? -20.504 -6.940 -30.367 1.00 40.35 ? 818 LEU A C 1 ATOM 1348 O O . LEU A 1 197 ? -19.500 -6.322 -30.673 1.00 40.69 ? 818 LEU A O 1 ATOM 1349 C CB . LEU A 1 197 ? -22.608 -5.725 -29.816 1.00 39.85 ? 818 LEU A CB 1 ATOM 1350 C CG . LEU A 1 197 ? -23.530 -5.058 -28.801 1.00 42.03 ? 818 LEU A CG 1 ATOM 1351 C CD1 . LEU A 1 197 ? -24.703 -4.486 -29.562 1.00 43.58 ? 818 LEU A CD1 1 ATOM 1352 C CD2 . LEU A 1 197 ? -24.027 -6.026 -27.722 1.00 49.24 ? 818 LEU A CD2 1 ATOM 1353 N N . VAL A 1 198 ? -20.910 -8.049 -30.976 1.00 42.63 ? 819 VAL A N 1 ATOM 1354 C CA . VAL A 1 198 ? -20.130 -8.766 -31.990 1.00 40.99 ? 819 VAL A CA 1 ATOM 1355 C C . VAL A 1 198 ? -21.012 -8.853 -33.227 1.00 41.27 ? 819 VAL A C 1 ATOM 1356 O O . VAL A 1 198 ? -22.200 -9.207 -33.136 1.00 41.07 ? 819 VAL A O 1 ATOM 1357 C CB . VAL A 1 198 ? -19.736 -10.195 -31.522 1.00 45.24 ? 819 VAL A CB 1 ATOM 1358 C CG1 . VAL A 1 198 ? -18.782 -10.862 -32.519 1.00 48.93 ? 819 VAL A CG1 1 ATOM 1359 C CG2 . VAL A 1 198 ? -19.110 -10.164 -30.133 1.00 42.82 ? 819 VAL A CG2 1 ATOM 1360 N N . THR A 1 199 ? -20.419 -8.499 -34.360 1.00 40.46 ? 820 THR A N 1 ATOM 1361 C CA . THR A 1 199 ? -21.070 -8.549 -35.668 1.00 51.12 ? 820 THR A CA 1 ATOM 1362 C C . THR A 1 199 ? -20.162 -9.327 -36.653 1.00 51.63 ? 820 THR A C 1 ATOM 1363 O O . THR A 1 199 ? -19.198 -9.971 -36.224 1.00 46.72 ? 820 THR A O 1 ATOM 1364 C CB . THR A 1 199 ? -21.453 -7.131 -36.173 1.00 47.29 ? 820 THR A CB 1 ATOM 1365 O OG1 . THR A 1 199 ? -22.220 -7.263 -37.381 1.00 55.41 ? 820 THR A OG1 1 ATOM 1366 C CG2 . THR A 1 199 ? -20.225 -6.255 -36.436 1.00 48.69 ? 820 THR A CG2 1 ATOM 1367 N N . HIS A 1 200 ? -20.473 -9.240 -37.950 1.00 55.36 ? 821 HIS A N 1 ATOM 1368 C CA . HIS A 1 200 ? -19.763 -9.972 -39.025 1.00 59.76 ? 821 HIS A CA 1 ATOM 1369 C C . HIS A 1 200 ? -18.283 -9.610 -39.072 1.00 59.56 ? 821 HIS A C 1 ATOM 1370 O O . HIS A 1 200 ? -17.925 -8.463 -38.806 1.00 55.91 ? 821 HIS A O 1 ATOM 1371 C CB . HIS A 1 200 ? -20.353 -9.636 -40.411 1.00 61.91 ? 821 HIS A CB 1 ATOM 1372 C CG . HIS A 1 200 ? -21.804 -9.989 -40.570 1.00 66.59 ? 821 HIS A CG 1 ATOM 1373 N ND1 . HIS A 1 200 ? -22.256 -11.294 -40.683 1.00 67.81 ? 821 HIS A ND1 1 ATOM 1374 C CD2 . HIS A 1 200 ? -22.906 -9.202 -40.641 1.00 63.06 ? 821 HIS A CD2 1 ATOM 1375 C CE1 . HIS A 1 200 ? -23.573 -11.290 -40.814 1.00 68.32 ? 821 HIS A CE1 1 ATOM 1376 N NE2 . HIS A 1 200 ? -23.991 -10.035 -40.795 1.00 68.85 ? 821 HIS A NE2 1 ATOM 1377 N N . GLY A 1 201 ? -17.447 -10.587 -39.427 1.00 58.71 ? 822 GLY A N 1 ATOM 1378 C CA . GLY A 1 201 ? -16.003 -10.379 -39.612 1.00 59.81 ? 822 GLY A CA 1 ATOM 1379 C C . GLY A 1 201 ? -15.215 -10.220 -38.325 1.00 60.10 ? 822 GLY A C 1 ATOM 1380 O O . GLY A 1 201 ? -14.139 -9.626 -38.330 1.00 69.48 ? 822 GLY A O 1 ATOM 1381 N N . LYS A 1 202 ? -15.748 -10.770 -37.233 1.00 56.71 ? 823 LYS A N 1 ATOM 1382 C CA . LYS A 1 202 ? -15.263 -10.567 -35.875 1.00 55.13 ? 823 LYS A CA 1 ATOM 1383 C C . LYS A 1 202 ? -15.032 -9.099 -35.485 1.00 52.14 ? 823 LYS A C 1 ATOM 1384 O O . LYS A 1 202 ? -14.130 -8.763 -34.690 1.00 51.93 ? 823 LYS A O 1 ATOM 1385 C CB . LYS A 1 202 ? -14.057 -11.493 -35.624 1.00 65.95 ? 823 LYS A CB 1 ATOM 1386 C CG . LYS A 1 202 ? -14.483 -12.964 -35.577 1.00 70.00 ? 823 LYS A CG 1 ATOM 1387 C CD . LYS A 1 202 ? -13.354 -13.935 -35.267 1.00 73.41 ? 823 LYS A CD 1 ATOM 1388 C CE . LYS A 1 202 ? -13.753 -15.388 -35.550 1.00 73.61 ? 823 LYS A CE 1 ATOM 1389 N N . VAL A 1 203 ? -15.901 -8.227 -36.006 1.00 49.20 ? 824 VAL A N 1 ATOM 1390 C CA . VAL A 1 203 ? -15.889 -6.814 -35.645 1.00 46.86 ? 824 VAL A CA 1 ATOM 1391 C C . VAL A 1 203 ? -16.634 -6.691 -34.308 1.00 39.15 ? 824 VAL A C 1 ATOM 1392 O O . VAL A 1 203 ? -17.691 -7.278 -34.127 1.00 41.11 ? 824 VAL A O 1 ATOM 1393 C CB . VAL A 1 203 ? -16.509 -5.931 -36.747 1.00 47.83 ? 824 VAL A CB 1 ATOM 1394 C CG1 . VAL A 1 203 ? -16.735 -4.491 -36.273 1.00 46.70 ? 824 VAL A CG1 1 ATOM 1395 C CG2 . VAL A 1 203 ? -15.589 -5.932 -37.963 1.00 50.08 ? 824 VAL A CG2 1 ATOM 1396 N N . VAL A 1 204 ? -16.085 -5.923 -33.388 1.00 39.55 ? 825 VAL A N 1 ATOM 1397 C CA . VAL A 1 204 ? -16.799 -5.606 -32.138 1.00 40.05 ? 825 VAL A CA 1 ATOM 1398 C C . VAL A 1 204 ? -17.061 -4.110 -31.995 1.00 37.70 ? 825 VAL A C 1 ATOM 1399 O O . VAL A 1 204 ? -16.319 -3.288 -32.518 1.00 37.27 ? 825 VAL A O 1 ATOM 1400 C CB . VAL A 1 204 ? -16.125 -6.165 -30.886 1.00 36.43 ? 825 VAL A CB 1 ATOM 1401 C CG1 . VAL A 1 204 ? -16.044 -7.688 -30.989 1.00 41.64 ? 825 VAL A CG1 1 ATOM 1402 C CG2 . VAL A 1 204 ? -14.758 -5.541 -30.644 1.00 36.61 ? 825 VAL A CG2 1 ATOM 1403 N N . LYS A 1 205 ? -18.111 -3.800 -31.252 1.00 35.24 ? 826 LYS A N 1 ATOM 1404 C CA . LYS A 1 205 ? -18.671 -2.465 -31.156 1.00 35.08 ? 826 LYS A CA 1 ATOM 1405 C C . LYS A 1 205 ? -19.141 -2.192 -29.736 1.00 32.30 ? 826 LYS A C 1 ATOM 1406 O O . LYS A 1 205 ? -19.946 -2.950 -29.199 1.00 38.37 ? 826 LYS A O 1 ATOM 1407 C CB . LYS A 1 205 ? -19.857 -2.352 -32.097 1.00 34.89 ? 826 LYS A CB 1 ATOM 1408 C CG . LYS A 1 205 ? -19.472 -2.187 -33.548 1.00 38.52 ? 826 LYS A CG 1 ATOM 1409 C CD . LYS A 1 205 ? -20.691 -2.193 -34.444 1.00 39.35 ? 826 LYS A CD 1 ATOM 1410 C CE . LYS A 1 205 ? -20.315 -1.968 -35.907 1.00 43.18 ? 826 LYS A CE 1 ATOM 1411 N NZ . LYS A 1 205 ? -19.982 -0.534 -36.139 1.00 45.78 ? 826 LYS A NZ 1 ATOM 1412 N N . ILE A 1 206 ? -18.722 -1.062 -29.196 1.00 32.28 ? 827 ILE A N 1 ATOM 1413 C CA . ILE A 1 206 ? -19.086 -0.630 -27.851 1.00 31.54 ? 827 ILE A CA 1 ATOM 1414 C C . ILE A 1 206 ? -20.494 -0.070 -27.902 1.00 35.09 ? 827 ILE A C 1 ATOM 1415 O O . ILE A 1 206 ? -20.792 0.767 -28.758 1.00 32.34 ? 827 ILE A O 1 ATOM 1416 C CB . ILE A 1 206 ? -18.125 0.443 -27.318 1.00 34.03 ? 827 ILE A CB 1 ATOM 1417 C CG1 . ILE A 1 206 ? -16.693 -0.131 -27.326 1.00 32.43 ? 827 ILE A CG1 1 ATOM 1418 C CG2 . ILE A 1 206 ? -18.560 0.892 -25.908 1.00 35.40 ? 827 ILE A CG2 1 ATOM 1419 C CD1 . ILE A 1 206 ? -15.603 0.842 -27.010 1.00 35.62 ? 827 ILE A CD1 1 ATOM 1420 N N . CYS A 1 207 ? -21.353 -0.536 -26.993 1.00 35.09 ? 828 CYS A N 1 ATOM 1421 C CA . CYS A 1 207 ? -22.735 -0.097 -26.953 1.00 39.58 ? 828 CYS A CA 1 ATOM 1422 C C . CYS A 1 207 ? -23.001 0.546 -25.617 1.00 41.77 ? 828 CYS A C 1 ATOM 1423 O O . CYS A 1 207 ? -22.265 0.325 -24.647 1.00 41.11 ? 828 CYS A O 1 ATOM 1424 C CB . CYS A 1 207 ? -23.710 -1.259 -27.222 1.00 42.76 ? 828 CYS A CB 1 ATOM 1425 S SG . CYS A 1 207 ? -24.002 -2.410 -25.884 1.00 62.97 ? 828 CYS A SG 1 ATOM 1426 N N . ASP A 1 208 ? -24.035 1.384 -25.608 1.00 61.33 ? 829 ASP A N 1 ATOM 1427 C CA . ASP A 1 208 ? -24.650 1.875 -24.394 1.00 75.70 ? 829 ASP A CA 1 ATOM 1428 C C . ASP A 1 208 ? -25.964 1.109 -24.233 1.00 77.84 ? 829 ASP A C 1 ATOM 1429 O O . ASP A 1 208 ? -26.877 1.275 -25.077 1.00 61.58 ? 829 ASP A O 1 ATOM 1430 C CB . ASP A 1 208 ? -24.909 3.372 -24.518 1.00 76.97 ? 829 ASP A CB 1 ATOM 1431 C CG . ASP A 1 208 ? -25.460 3.989 -23.244 1.00 89.20 ? 829 ASP A CG 1 ATOM 1432 O OD1 . ASP A 1 208 ? -25.608 3.313 -22.192 1.00 95.40 ? 829 ASP A OD1 1 ATOM 1433 O OD2 . ASP A 1 208 ? -25.726 5.205 -23.290 1.00 77.14 ? 829 ASP A OD2 1 ATOM 1434 N N . PHE A 1 209 ? -26.032 0.315 -23.151 1.00 50.87 ? 830 PHE A N 1 ATOM 1435 C CA . PHE A 1 209 ? -27.208 -0.456 -22.679 1.00 76.64 ? 830 PHE A CA 1 ATOM 1436 C C . PHE A 1 209 ? -27.418 -1.716 -23.511 1.00 78.64 ? 830 PHE A C 1 ATOM 1437 O O . PHE A 1 209 ? -28.226 -2.576 -23.147 1.00 92.82 ? 830 PHE A O 1 ATOM 1438 C CB . PHE A 1 209 ? -28.520 0.379 -22.601 1.00 104.58 ? 830 PHE A CB 1 ATOM 1439 C CG . PHE A 1 209 ? -28.929 0.780 -21.210 1.00 125.76 ? 830 PHE A CG 1 ATOM 1440 C CD1 . PHE A 1 209 ? -29.740 -0.058 -20.431 1.00 137.86 ? 830 PHE A CD1 1 ATOM 1441 C CD2 . PHE A 1 209 ? -28.545 2.021 -20.681 1.00 146.25 ? 830 PHE A CD2 1 ATOM 1442 C CE1 . PHE A 1 209 ? -30.140 0.323 -19.144 1.00 138.02 ? 830 PHE A CE1 1 ATOM 1443 C CE2 . PHE A 1 209 ? -28.939 2.403 -19.396 1.00 150.42 ? 830 PHE A CE2 1 ATOM 1444 C CZ . PHE A 1 209 ? -29.737 1.555 -18.625 1.00 142.63 ? 830 PHE A CZ 1 ATOM 1445 N N . MET A 1 216 ? -31.711 -5.256 -11.185 1.00 107.30 ? 837 MET A N 1 ATOM 1446 C CA . MET A 1 216 ? -32.301 -6.028 -10.096 1.00 113.49 ? 837 MET A CA 1 ATOM 1447 C C . MET A 1 216 ? -31.930 -7.520 -10.169 1.00 117.06 ? 837 MET A C 1 ATOM 1448 O O . MET A 1 216 ? -31.332 -8.054 -9.232 1.00 117.23 ? 837 MET A O 1 ATOM 1449 C CB . MET A 1 216 ? -33.827 -5.853 -10.088 1.00 119.90 ? 837 MET A CB 1 ATOM 1450 C CG . MET A 1 216 ? -34.315 -4.420 -9.891 1.00 115.20 ? 837 MET A CG 1 ATOM 1451 N N . SER A 1 217 ? -32.277 -8.173 -11.283 1.00 121.62 ? 838 SER A N 1 ATOM 1452 C CA . SER A 1 217 ? -31.953 -9.606 -11.518 1.00 123.60 ? 838 SER A CA 1 ATOM 1453 C C . SER A 1 217 ? -30.445 -9.933 -11.707 1.00 123.26 ? 838 SER A C 1 ATOM 1454 O O . SER A 1 217 ? -30.027 -11.072 -11.460 1.00 110.33 ? 838 SER A O 1 ATOM 1455 C CB . SER A 1 217 ? -32.737 -10.136 -12.727 1.00 119.01 ? 838 SER A CB 1 ATOM 1456 N N . ASP A 1 218 ? -29.658 -8.940 -12.146 1.00 103.83 ? 839 ASP A N 1 ATOM 1457 C CA . ASP A 1 218 ? -28.219 -9.075 -12.440 1.00 80.56 ? 839 ASP A CA 1 ATOM 1458 C C . ASP A 1 218 ? -27.361 -8.828 -11.177 1.00 72.37 ? 839 ASP A C 1 ATOM 1459 O O . ASP A 1 218 ? -27.370 -7.721 -10.620 1.00 60.51 ? 839 ASP A O 1 ATOM 1460 C CB . ASP A 1 218 ? -27.848 -8.069 -13.551 1.00 76.17 ? 839 ASP A CB 1 ATOM 1461 C CG . ASP A 1 218 ? -26.511 -8.361 -14.214 1.00 71.25 ? 839 ASP A CG 1 ATOM 1462 O OD1 . ASP A 1 218 ? -25.521 -8.653 -13.517 1.00 57.54 ? 839 ASP A OD1 1 ATOM 1463 O OD2 . ASP A 1 218 ? -26.436 -8.266 -15.456 1.00 77.24 ? 839 ASP A OD2 1 ATOM 1464 N N . SER A 1 219 ? -26.589 -9.837 -10.763 1.00 55.32 ? 840 SER A N 1 ATOM 1465 C CA . SER A 1 219 ? -25.660 -9.694 -9.624 1.00 61.85 ? 840 SER A CA 1 ATOM 1466 C C . SER A 1 219 ? -24.388 -8.854 -9.893 1.00 50.65 ? 840 SER A C 1 ATOM 1467 O O . SER A 1 219 ? -23.638 -8.574 -8.963 1.00 50.42 ? 840 SER A O 1 ATOM 1468 C CB . SER A 1 219 ? -25.253 -11.070 -9.089 1.00 66.69 ? 840 SER A CB 1 ATOM 1469 O OG . SER A 1 219 ? -24.517 -11.799 -10.055 1.00 80.70 ? 840 SER A OG 1 ATOM 1470 N N . ASN A 1 220 ? -24.124 -8.465 -11.139 1.00 47.85 ? 841 ASN A N 1 ATOM 1471 C CA . ASN A 1 220 ? -23.004 -7.530 -11.431 1.00 42.67 ? 841 ASN A CA 1 ATOM 1472 C C . ASN A 1 220 ? -23.245 -6.050 -11.121 1.00 39.17 ? 841 ASN A C 1 ATOM 1473 O O . ASN A 1 220 ? -22.271 -5.299 -11.071 1.00 38.93 ? 841 ASN A O 1 ATOM 1474 C CB . ASN A 1 220 ? -22.504 -7.720 -12.848 1.00 46.08 ? 841 ASN A CB 1 ATOM 1475 C CG . ASN A 1 220 ? -21.981 -9.129 -13.074 1.00 49.36 ? 841 ASN A CG 1 ATOM 1476 O OD1 . ASN A 1 220 ? -21.121 -9.604 -12.320 1.00 46.51 ? 841 ASN A OD1 1 ATOM 1477 N ND2 . ASN A 1 220 ? -22.502 -9.808 -14.090 1.00 51.10 ? 841 ASN A ND2 1 ATOM 1478 N N . TYR A 1 221 ? -24.503 -5.657 -10.890 1.00 39.67 ? 842 TYR A N 1 ATOM 1479 C CA . TYR A 1 221 ? -24.870 -4.308 -10.474 1.00 40.21 ? 842 TYR A CA 1 ATOM 1480 C C . TYR A 1 221 ? -25.355 -4.321 -9.044 1.00 41.50 ? 842 TYR A C 1 ATOM 1481 O O . TYR A 1 221 ? -26.247 -5.080 -8.719 1.00 47.09 ? 842 TYR A O 1 ATOM 1482 C CB . TYR A 1 221 ? -25.973 -3.750 -11.374 1.00 40.88 ? 842 TYR A CB 1 ATOM 1483 C CG . TYR A 1 221 ? -25.536 -3.563 -12.807 1.00 42.15 ? 842 TYR A CG 1 ATOM 1484 C CD1 . TYR A 1 221 ? -24.954 -2.352 -13.234 1.00 42.45 ? 842 TYR A CD1 1 ATOM 1485 C CD2 . TYR A 1 221 ? -25.686 -4.591 -13.747 1.00 41.80 ? 842 TYR A CD2 1 ATOM 1486 C CE1 . TYR A 1 221 ? -24.551 -2.172 -14.555 1.00 39.81 ? 842 TYR A CE1 1 ATOM 1487 C CE2 . TYR A 1 221 ? -25.281 -4.428 -15.072 1.00 45.71 ? 842 TYR A CE2 1 ATOM 1488 C CZ . TYR A 1 221 ? -24.705 -3.214 -15.475 1.00 44.23 ? 842 TYR A CZ 1 ATOM 1489 O OH . TYR A 1 221 ? -24.306 -3.054 -16.784 1.00 38.60 ? 842 TYR A OH 1 ATOM 1490 N N . VAL A 1 222 ? -24.777 -3.466 -8.206 1.00 39.59 ? 843 VAL A N 1 ATOM 1491 C CA . VAL A 1 222 ? -25.188 -3.282 -6.826 1.00 43.67 ? 843 VAL A CA 1 ATOM 1492 C C . VAL A 1 222 ? -26.125 -2.100 -6.759 1.00 43.52 ? 843 VAL A C 1 ATOM 1493 O O . VAL A 1 222 ? -25.780 -1.010 -7.229 1.00 41.13 ? 843 VAL A O 1 ATOM 1494 C CB . VAL A 1 222 ? -23.983 -2.939 -5.912 1.00 48.11 ? 843 VAL A CB 1 ATOM 1495 C CG1 . VAL A 1 222 ? -24.420 -2.608 -4.475 1.00 55.24 ? 843 VAL A CG1 1 ATOM 1496 C CG2 . VAL A 1 222 ? -23.003 -4.078 -5.915 1.00 48.35 ? 843 VAL A CG2 1 ATOM 1497 N N . VAL A 1 223 ? -27.253 -2.302 -6.096 1.00 45.31 ? 844 VAL A N 1 ATOM 1498 C CA . VAL A 1 223 ? -28.223 -1.244 -5.820 1.00 53.77 ? 844 VAL A CA 1 ATOM 1499 C C . VAL A 1 223 ? -27.705 -0.382 -4.664 1.00 57.45 ? 844 VAL A C 1 ATOM 1500 O O . VAL A 1 223 ? -27.264 -0.928 -3.648 1.00 54.35 ? 844 VAL A O 1 ATOM 1501 C CB . VAL A 1 223 ? -29.593 -1.853 -5.444 1.00 53.24 ? 844 VAL A CB 1 ATOM 1502 C CG1 . VAL A 1 223 ? -30.581 -0.795 -4.961 1.00 56.67 ? 844 VAL A CG1 1 ATOM 1503 C CG2 . VAL A 1 223 ? -30.148 -2.614 -6.643 1.00 55.53 ? 844 VAL A CG2 1 ATOM 1504 N N . ARG A 1 224 ? -27.799 0.944 -4.829 1.00 62.67 ? 845 ARG A N 1 ATOM 1505 C CA . ARG A 1 224 ? -27.398 1.941 -3.813 1.00 68.38 ? 845 ARG A CA 1 ATOM 1506 C C . ARG A 1 224 ? -28.186 3.252 -4.070 1.00 68.68 ? 845 ARG A C 1 ATOM 1507 O O . ARG A 1 224 ? -27.750 4.116 -4.843 1.00 70.88 ? 845 ARG A O 1 ATOM 1508 C CB . ARG A 1 224 ? -25.867 2.144 -3.857 1.00 74.80 ? 845 ARG A CB 1 ATOM 1509 C CG . ARG A 1 224 ? -25.226 2.794 -2.629 1.00 92.63 ? 845 ARG A CG 1 ATOM 1510 C CD . ARG A 1 224 ? -23.684 2.681 -2.655 1.00 111.69 ? 845 ARG A CD 1 ATOM 1511 N NE . ARG A 1 224 ? -23.051 2.356 -1.351 1.00 107.73 ? 845 ARG A NE 1 ATOM 1512 C CZ . ARG A 1 224 ? -22.487 1.186 -0.982 1.00 94.15 ? 845 ARG A CZ 1 ATOM 1513 N NH1 . ARG A 1 224 ? -22.443 0.110 -1.781 1.00 89.75 ? 845 ARG A NH1 1 ATOM 1514 N NH2 . ARG A 1 224 ? -21.949 1.082 0.237 1.00 92.25 ? 845 ARG A NH2 1 ATOM 1515 N N . GLY A 1 225 ? -29.364 3.355 -3.443 1.00 68.60 ? 846 GLY A N 1 ATOM 1516 C CA . GLY A 1 225 ? -30.345 4.428 -3.697 1.00 72.57 ? 846 GLY A CA 1 ATOM 1517 C C . GLY A 1 225 ? -30.795 4.472 -5.159 1.00 79.06 ? 846 GLY A C 1 ATOM 1518 O O . GLY A 1 225 ? -31.341 3.485 -5.679 1.00 70.45 ? 846 GLY A O 1 ATOM 1519 N N . ASN A 1 226 ? -30.525 5.604 -5.820 1.00 77.91 ? 847 ASN A N 1 ATOM 1520 C CA . ASN A 1 226 ? -30.804 5.785 -7.246 1.00 77.90 ? 847 ASN A CA 1 ATOM 1521 C C . ASN A 1 226 ? -29.844 5.017 -8.156 1.00 68.96 ? 847 ASN A C 1 ATOM 1522 O O . ASN A 1 226 ? -30.198 4.737 -9.308 1.00 69.51 ? 847 ASN A O 1 ATOM 1523 C CB . ASN A 1 226 ? -30.787 7.277 -7.624 1.00 87.67 ? 847 ASN A CB 1 ATOM 1524 N N . ALA A 1 227 ? -28.655 4.663 -7.654 1.00 57.94 ? 848 ALA A N 1 ATOM 1525 C CA . ALA A 1 227 ? -27.588 4.098 -8.487 1.00 54.21 ? 848 ALA A CA 1 ATOM 1526 C C . ALA A 1 227 ? -27.654 2.556 -8.609 1.00 50.09 ? 848 ALA A C 1 ATOM 1527 O O . ALA A 1 227 ? -28.172 1.870 -7.732 1.00 50.21 ? 848 ALA A O 1 ATOM 1528 C CB . ALA A 1 227 ? -26.235 4.538 -7.943 1.00 52.34 ? 848 ALA A CB 1 ATOM 1529 N N . ARG A 1 228 ? -27.131 2.056 -9.722 1.00 49.33 ? 849 ARG A N 1 ATOM 1530 C CA . ARG A 1 228 ? -26.989 0.635 -10.025 1.00 47.49 ? 849 ARG A CA 1 ATOM 1531 C C . ARG A 1 228 ? -25.550 0.526 -10.475 1.00 43.31 ? 849 ARG A C 1 ATOM 1532 O O . ARG A 1 228 ? -25.231 0.890 -11.592 1.00 50.13 ? 849 ARG A O 1 ATOM 1533 C CB . ARG A 1 228 ? -27.949 0.185 -11.136 1.00 56.63 ? 849 ARG A CB 1 ATOM 1534 C CG . ARG A 1 228 ? -29.413 0.542 -10.924 1.00 56.95 ? 849 ARG A CG 1 ATOM 1535 C CD . ARG A 1 228 ? -30.105 -0.355 -9.917 1.00 59.39 ? 849 ARG A CD 1 ATOM 1536 N NE . ARG A 1 228 ? -31.518 0.039 -9.770 1.00 57.88 ? 849 ARG A NE 1 ATOM 1537 C CZ . ARG A 1 228 ? -32.000 0.979 -8.952 1.00 58.63 ? 849 ARG A CZ 1 ATOM 1538 N NH1 . ARG A 1 228 ? -31.204 1.682 -8.125 1.00 61.77 ? 849 ARG A NH1 1 ATOM 1539 N NH2 . ARG A 1 228 ? -33.318 1.209 -8.936 1.00 59.12 ? 849 ARG A NH2 1 ATOM 1540 N N . LEU A 1 229 ? -24.672 0.062 -9.584 1.00 39.65 ? 850 LEU A N 1 ATOM 1541 C CA . LEU A 1 229 ? -23.229 0.225 -9.737 1.00 40.27 ? 850 LEU A CA 1 ATOM 1542 C C . LEU A 1 229 ? -22.548 -1.075 -10.189 1.00 40.85 ? 850 LEU A C 1 ATOM 1543 O O . LEU A 1 229 ? -22.645 -2.082 -9.486 1.00 35.99 ? 850 LEU A O 1 ATOM 1544 C CB . LEU A 1 229 ? -22.619 0.678 -8.413 1.00 41.91 ? 850 LEU A CB 1 ATOM 1545 C CG . LEU A 1 229 ? -23.146 1.967 -7.771 1.00 51.92 ? 850 LEU A CG 1 ATOM 1546 C CD1 . LEU A 1 229 ? -22.628 2.099 -6.340 1.00 53.05 ? 850 LEU A CD1 1 ATOM 1547 C CD2 . LEU A 1 229 ? -22.781 3.192 -8.593 1.00 48.83 ? 850 LEU A CD2 1 ATOM 1548 N N . PRO A 1 230 ? -21.819 -1.052 -11.329 1.00 38.97 ? 851 PRO A N 1 ATOM 1549 C CA . PRO A 1 230 ? -21.045 -2.215 -11.777 1.00 34.22 ? 851 PRO A CA 1 ATOM 1550 C C . PRO A 1 230 ? -19.721 -2.331 -10.995 1.00 32.11 ? 851 PRO A C 1 ATOM 1551 O O . PRO A 1 230 ? -18.639 -2.057 -11.518 1.00 30.19 ? 851 PRO A O 1 ATOM 1552 C CB . PRO A 1 230 ? -20.861 -1.924 -13.266 1.00 35.85 ? 851 PRO A CB 1 ATOM 1553 C CG . PRO A 1 230 ? -20.736 -0.442 -13.315 1.00 37.72 ? 851 PRO A CG 1 ATOM 1554 C CD . PRO A 1 230 ? -21.679 0.075 -12.276 1.00 36.15 ? 851 PRO A CD 1 ATOM 1555 N N . VAL A 1 231 ? -19.833 -2.691 -9.714 1.00 33.60 ? 852 VAL A N 1 ATOM 1556 C CA . VAL A 1 231 ? -18.750 -2.504 -8.716 1.00 33.94 ? 852 VAL A CA 1 ATOM 1557 C C . VAL A 1 231 ? -17.413 -3.118 -9.133 1.00 29.76 ? 852 VAL A C 1 ATOM 1558 O O . VAL A 1 231 ? -16.361 -2.474 -9.030 1.00 28.70 ? 852 VAL A O 1 ATOM 1559 C CB . VAL A 1 231 ? -19.208 -2.982 -7.290 1.00 36.96 ? 852 VAL A CB 1 ATOM 1560 C CG1 . VAL A 1 231 ? -18.049 -3.267 -6.349 1.00 35.81 ? 852 VAL A CG1 1 ATOM 1561 C CG2 . VAL A 1 231 ? -20.106 -1.918 -6.659 1.00 38.63 ? 852 VAL A CG2 1 ATOM 1562 N N . LYS A 1 232 ? -17.454 -4.350 -9.614 1.00 28.06 ? 853 LYS A N 1 ATOM 1563 C CA . LYS A 1 232 ? -16.213 -5.041 -9.980 1.00 27.93 ? 853 LYS A CA 1 ATOM 1564 C C . LYS A 1 232 ? -15.502 -4.461 -11.218 1.00 30.05 ? 853 LYS A C 1 ATOM 1565 O O . LYS A 1 232 ? -14.353 -4.829 -11.464 1.00 31.63 ? 853 LYS A O 1 ATOM 1566 C CB . LYS A 1 232 ? -16.467 -6.547 -10.151 1.00 32.21 ? 853 LYS A CB 1 ATOM 1567 C CG . LYS A 1 232 ? -16.795 -7.268 -8.845 1.00 31.12 ? 853 LYS A CG 1 ATOM 1568 C CD . LYS A 1 232 ? -16.797 -8.782 -9.057 1.00 29.70 ? 853 LYS A CD 1 ATOM 1569 C CE . LYS A 1 232 ? -16.899 -9.574 -7.771 1.00 33.52 ? 853 LYS A CE 1 ATOM 1570 N NZ . LYS A 1 232 ? -16.757 -11.049 -8.026 1.00 30.79 ? 853 LYS A NZ 1 ATOM 1571 N N . TRP A 1 233 ? -16.167 -3.562 -11.966 1.00 28.27 ? 854 TRP A N 1 ATOM 1572 C CA . TRP A 1 233 ? -15.577 -2.861 -13.115 1.00 29.95 ? 854 TRP A CA 1 ATOM 1573 C C . TRP A 1 233 ? -15.113 -1.463 -12.805 1.00 30.91 ? 854 TRP A C 1 ATOM 1574 O O . TRP A 1 233 ? -14.468 -0.846 -13.650 1.00 30.99 ? 854 TRP A O 1 ATOM 1575 C CB . TRP A 1 233 ? -16.582 -2.853 -14.307 1.00 29.13 ? 854 TRP A CB 1 ATOM 1576 C CG . TRP A 1 233 ? -16.676 -4.208 -14.970 1.00 29.87 ? 854 TRP A CG 1 ATOM 1577 C CD1 . TRP A 1 233 ? -16.046 -4.598 -16.115 1.00 29.30 ? 854 TRP A CD1 1 ATOM 1578 C CD2 . TRP A 1 233 ? -17.436 -5.365 -14.521 1.00 31.02 ? 854 TRP A CD2 1 ATOM 1579 N NE1 . TRP A 1 233 ? -16.380 -5.886 -16.427 1.00 28.16 ? 854 TRP A NE1 1 ATOM 1580 C CE2 . TRP A 1 233 ? -17.215 -6.397 -15.466 1.00 28.07 ? 854 TRP A CE2 1 ATOM 1581 C CE3 . TRP A 1 233 ? -18.289 -5.613 -13.438 1.00 28.26 ? 854 TRP A CE3 1 ATOM 1582 C CZ2 . TRP A 1 233 ? -17.769 -7.683 -15.328 1.00 29.43 ? 854 TRP A CZ2 1 ATOM 1583 C CZ3 . TRP A 1 233 ? -18.867 -6.905 -13.303 1.00 32.40 ? 854 TRP A CZ3 1 ATOM 1584 C CH2 . TRP A 1 233 ? -18.581 -7.924 -14.236 1.00 30.15 ? 854 TRP A CH2 1 ATOM 1585 N N . MET A 1 234 ? -15.375 -0.966 -11.592 1.00 30.77 ? 855 MET A N 1 ATOM 1586 C CA . MET A 1 234 ? -15.249 0.459 -11.316 1.00 31.86 ? 855 MET A CA 1 ATOM 1587 C C . MET A 1 234 ? -13.871 0.780 -10.746 1.00 33.01 ? 855 MET A C 1 ATOM 1588 O O . MET A 1 234 ? -13.382 0.102 -9.842 1.00 33.18 ? 855 MET A O 1 ATOM 1589 C CB . MET A 1 234 ? -16.321 0.918 -10.330 1.00 31.53 ? 855 MET A CB 1 ATOM 1590 C CG . MET A 1 234 ? -17.685 1.050 -10.964 1.00 31.89 ? 855 MET A CG 1 ATOM 1591 S SD . MET A 1 234 ? -19.022 1.177 -9.758 1.00 36.50 ? 855 MET A SD 1 ATOM 1592 C CE . MET A 1 234 ? -18.781 2.843 -9.165 1.00 37.38 ? 855 MET A CE 1 ATOM 1593 N N . ALA A 1 235 ? -13.284 1.860 -11.241 1.00 29.72 ? 856 ALA A N 1 ATOM 1594 C CA . ALA A 1 235 ? -12.060 2.395 -10.692 1.00 30.79 ? 856 ALA A CA 1 ATOM 1595 C C . ALA A 1 235 ? -12.301 2.866 -9.255 1.00 34.06 ? 856 ALA A C 1 ATOM 1596 O O . ALA A 1 235 ? -13.416 3.288 -8.938 1.00 34.64 ? 856 ALA A O 1 ATOM 1597 C CB . ALA A 1 235 ? -11.566 3.562 -11.517 1.00 32.73 ? 856 ALA A CB 1 ATOM 1598 N N . PRO A 1 236 ? -11.252 2.867 -8.413 1.00 34.84 ? 857 PRO A N 1 ATOM 1599 C CA . PRO A 1 236 ? -11.377 3.360 -7.031 1.00 33.96 ? 857 PRO A CA 1 ATOM 1600 C C . PRO A 1 236 ? -12.029 4.720 -6.894 1.00 35.30 ? 857 PRO A C 1 ATOM 1601 O O . PRO A 1 236 ? -12.908 4.892 -6.052 1.00 35.36 ? 857 PRO A O 1 ATOM 1602 C CB . PRO A 1 236 ? -9.928 3.412 -6.552 1.00 37.65 ? 857 PRO A CB 1 ATOM 1603 C CG . PRO A 1 236 ? -9.202 2.430 -7.400 1.00 37.31 ? 857 PRO A CG 1 ATOM 1604 C CD . PRO A 1 236 ? -9.857 2.507 -8.733 1.00 39.59 ? 857 PRO A CD 1 ATOM 1605 N N . GLU A 1 237 ? -11.604 5.675 -7.725 1.00 33.36 ? 858 GLU A N 1 ATOM 1606 C CA . GLU A 1 237 ? -12.152 7.035 -7.680 1.00 36.27 ? 858 GLU A CA 1 ATOM 1607 C C . GLU A 1 237 ? -13.644 7.069 -8.040 1.00 35.69 ? 858 GLU A C 1 ATOM 1608 O O . GLU A 1 237 ? -14.352 7.978 -7.611 1.00 36.07 ? 858 GLU A O 1 ATOM 1609 C CB . GLU A 1 237 ? -11.318 8.050 -8.506 1.00 36.30 ? 858 GLU A CB 1 ATOM 1610 C CG . GLU A 1 237 ? -11.308 7.899 -10.024 1.00 36.45 ? 858 GLU A CG 1 ATOM 1611 C CD . GLU A 1 237 ? -10.338 6.857 -10.580 1.00 41.70 ? 858 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 237 ? -9.778 6.040 -9.805 1.00 35.50 ? 858 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 237 ? -10.157 6.825 -11.828 1.00 36.53 ? 858 GLU A OE2 1 ATOM 1614 N N . SER A 1 238 ? -14.105 6.086 -8.825 1.00 32.67 ? 859 SER A N 1 ATOM 1615 C CA . SER A 1 238 ? -15.538 5.904 -9.083 1.00 34.20 ? 859 SER A CA 1 ATOM 1616 C C . SER A 1 238 ? -16.248 5.304 -7.879 1.00 35.61 ? 859 SER A C 1 ATOM 1617 O O . SER A 1 238 ? -17.292 5.825 -7.460 1.00 35.53 ? 859 SER A O 1 ATOM 1618 C CB . SER A 1 238 ? -15.774 5.076 -10.335 1.00 30.71 ? 859 SER A CB 1 ATOM 1619 O OG . SER A 1 238 ? -14.948 5.528 -11.404 1.00 31.69 ? 859 SER A OG 1 ATOM 1620 N N . LEU A 1 239 ? -15.673 4.237 -7.322 1.00 36.66 ? 860 LEU A N 1 ATOM 1621 C CA . LEU A 1 239 ? -16.211 3.583 -6.117 1.00 40.12 ? 860 LEU A CA 1 ATOM 1622 C C . LEU A 1 239 ? -16.332 4.479 -4.930 1.00 36.79 ? 860 LEU A C 1 ATOM 1623 O O . LEU A 1 239 ? -17.372 4.480 -4.287 1.00 45.60 ? 860 LEU A O 1 ATOM 1624 C CB . LEU A 1 239 ? -15.344 2.404 -5.674 1.00 42.57 ? 860 LEU A CB 1 ATOM 1625 C CG . LEU A 1 239 ? -15.424 1.098 -6.435 1.00 43.43 ? 860 LEU A CG 1 ATOM 1626 C CD1 . LEU A 1 239 ? -14.395 0.148 -5.829 1.00 51.68 ? 860 LEU A CD1 1 ATOM 1627 C CD2 . LEU A 1 239 ? -16.820 0.492 -6.347 1.00 44.68 ? 860 LEU A CD2 1 ATOM 1628 N N . PHE A 1 240 ? -15.262 5.219 -4.648 1.00 39.48 ? 861 PHE A N 1 ATOM 1629 C CA . PHE A 1 240 ? -15.129 6.003 -3.418 1.00 42.93 ? 861 PHE A CA 1 ATOM 1630 C C . PHE A 1 240 ? -15.548 7.434 -3.532 1.00 45.04 ? 861 PHE A C 1 ATOM 1631 O O . PHE A 1 240 ? -15.954 7.995 -2.546 1.00 47.41 ? 861 PHE A O 1 ATOM 1632 C CB . PHE A 1 240 ? -13.701 5.897 -2.852 1.00 44.56 ? 861 PHE A CB 1 ATOM 1633 C CG . PHE A 1 240 ? -13.274 4.477 -2.630 1.00 46.97 ? 861 PHE A CG 1 ATOM 1634 C CD1 . PHE A 1 240 ? -14.026 3.635 -1.801 1.00 55.59 ? 861 PHE A CD1 1 ATOM 1635 C CD2 . PHE A 1 240 ? -12.167 3.945 -3.289 1.00 48.08 ? 861 PHE A CD2 1 ATOM 1636 C CE1 . PHE A 1 240 ? -13.664 2.296 -1.641 1.00 55.72 ? 861 PHE A CE1 1 ATOM 1637 C CE2 . PHE A 1 240 ? -11.808 2.611 -3.134 1.00 46.31 ? 861 PHE A CE2 1 ATOM 1638 C CZ . PHE A 1 240 ? -12.559 1.788 -2.316 1.00 48.26 ? 861 PHE A CZ 1 ATOM 1639 N N . GLU A 1 241 ? -15.407 8.046 -4.707 1.00 47.90 ? 862 GLU A N 1 ATOM 1640 C CA . GLU A 1 241 ? -15.716 9.476 -4.880 1.00 51.65 ? 862 GLU A CA 1 ATOM 1641 C C . GLU A 1 241 ? -16.783 9.770 -5.937 1.00 47.03 ? 862 GLU A C 1 ATOM 1642 O O . GLU A 1 241 ? -17.227 10.895 -6.017 1.00 51.77 ? 862 GLU A O 1 ATOM 1643 C CB . GLU A 1 241 ? -14.429 10.249 -5.177 1.00 57.12 ? 862 GLU A CB 1 ATOM 1644 C CG . GLU A 1 241 ? -13.328 10.156 -4.104 1.00 72.19 ? 862 GLU A CG 1 ATOM 1645 C CD . GLU A 1 241 ? -11.916 10.206 -4.695 1.00 86.93 ? 862 GLU A CD 1 ATOM 1646 O OE1 . GLU A 1 241 ? -11.206 9.175 -4.649 1.00 92.65 ? 862 GLU A OE1 1 ATOM 1647 O OE2 . GLU A 1 241 ? -11.517 11.263 -5.229 1.00 89.07 ? 862 GLU A OE2 1 ATOM 1648 N N . GLY A 1 242 ? -17.241 8.766 -6.688 1.00 46.12 ? 863 GLY A N 1 ATOM 1649 C CA . GLY A 1 242 ? -18.206 8.965 -7.768 1.00 47.34 ? 863 GLY A CA 1 ATOM 1650 C C . GLY A 1 242 ? -17.659 9.726 -8.975 1.00 45.19 ? 863 GLY A C 1 ATOM 1651 O O . GLY A 1 242 ? -18.420 10.329 -9.675 1.00 43.67 ? 863 GLY A O 1 ATOM 1652 N N . ILE A 1 243 ? -16.346 9.650 -9.206 1.00 48.22 ? 864 ILE A N 1 ATOM 1653 C CA . ILE A 1 243 ? -15.630 10.358 -10.264 1.00 47.57 ? 864 ILE A CA 1 ATOM 1654 C C . ILE A 1 243 ? -15.569 9.389 -11.458 1.00 41.47 ? 864 ILE A C 1 ATOM 1655 O O . ILE A 1 243 ? -15.209 8.225 -11.272 1.00 42.16 ? 864 ILE A O 1 ATOM 1656 C CB . ILE A 1 243 ? -14.212 10.789 -9.743 1.00 51.17 ? 864 ILE A CB 1 ATOM 1657 C CG1 . ILE A 1 243 ? -14.365 11.943 -8.749 1.00 58.85 ? 864 ILE A CG1 1 ATOM 1658 C CG2 . ILE A 1 243 ? -13.260 11.234 -10.849 1.00 52.21 ? 864 ILE A CG2 1 ATOM 1659 C CD1 . ILE A 1 243 ? -13.168 12.139 -7.834 1.00 67.28 ? 864 ILE A CD1 1 ATOM 1660 N N . TYR A 1 244 ? -15.937 9.869 -12.652 1.00 36.76 ? 865 TYR A N 1 ATOM 1661 C CA . TYR A 1 244 ? -15.824 9.124 -13.934 1.00 38.28 ? 865 TYR A CA 1 ATOM 1662 C C . TYR A 1 244 ? -15.087 9.969 -14.961 1.00 41.73 ? 865 TYR A C 1 ATOM 1663 O O . TYR A 1 244 ? -15.604 11.000 -15.409 1.00 41.41 ? 865 TYR A O 1 ATOM 1664 C CB . TYR A 1 244 ? -17.197 8.748 -14.502 1.00 42.32 ? 865 TYR A CB 1 ATOM 1665 C CG . TYR A 1 244 ? -17.985 7.843 -13.591 1.00 42.75 ? 865 TYR A CG 1 ATOM 1666 C CD1 . TYR A 1 244 ? -18.784 8.385 -12.571 1.00 44.21 ? 865 TYR A CD1 1 ATOM 1667 C CD2 . TYR A 1 244 ? -17.926 6.451 -13.721 1.00 43.12 ? 865 TYR A CD2 1 ATOM 1668 C CE1 . TYR A 1 244 ? -19.505 7.572 -11.714 1.00 46.46 ? 865 TYR A CE1 1 ATOM 1669 C CE2 . TYR A 1 244 ? -18.650 5.625 -12.863 1.00 42.67 ? 865 TYR A CE2 1 ATOM 1670 C CZ . TYR A 1 244 ? -19.435 6.192 -11.866 1.00 45.80 ? 865 TYR A CZ 1 ATOM 1671 O OH . TYR A 1 244 ? -20.155 5.407 -11.011 1.00 51.02 ? 865 TYR A OH 1 ATOM 1672 N N . THR A 1 245 ? -13.864 9.545 -15.280 1.00 37.53 ? 866 THR A N 1 ATOM 1673 C CA . THR A 1 245 ? -13.051 10.121 -16.336 1.00 37.14 ? 866 THR A CA 1 ATOM 1674 C C . THR A 1 245 ? -12.690 9.034 -17.328 1.00 34.60 ? 866 THR A C 1 ATOM 1675 O O . THR A 1 245 ? -12.922 7.843 -17.099 1.00 34.13 ? 866 THR A O 1 ATOM 1676 C CB . THR A 1 245 ? -11.732 10.714 -15.792 1.00 37.35 ? 866 THR A CB 1 ATOM 1677 O OG1 . THR A 1 245 ? -10.913 9.657 -15.275 1.00 38.57 ? 866 THR A OG1 1 ATOM 1678 C CG2 . THR A 1 245 ? -11.997 11.724 -14.715 1.00 40.41 ? 866 THR A CG2 1 ATOM 1679 N N . ILE A 1 246 ? -12.050 9.444 -18.416 1.00 34.47 ? 867 ILE A N 1 ATOM 1680 C CA . ILE A 1 246 ? -11.488 8.481 -19.364 1.00 34.96 ? 867 ILE A CA 1 ATOM 1681 C C . ILE A 1 246 ? -10.454 7.543 -18.710 1.00 32.13 ? 867 ILE A C 1 ATOM 1682 O O . ILE A 1 246 ? -10.337 6.389 -19.098 1.00 33.25 ? 867 ILE A O 1 ATOM 1683 C CB . ILE A 1 246 ? -11.005 9.183 -20.674 1.00 40.00 ? 867 ILE A CB 1 ATOM 1684 C CG1 . ILE A 1 246 ? -10.873 8.173 -21.821 1.00 41.99 ? 867 ILE A CG1 1 ATOM 1685 C CG2 . ILE A 1 246 ? -9.738 10.005 -20.477 1.00 42.76 ? 867 ILE A CG2 1 ATOM 1686 C CD1 . ILE A 1 246 ? -12.213 7.711 -22.376 1.00 38.42 ? 867 ILE A CD1 1 ATOM 1687 N N . LYS A 1 247 ? -9.759 8.024 -17.689 1.00 34.02 ? 868 LYS A N 1 ATOM 1688 C CA . LYS A 1 247 ? -8.812 7.207 -16.926 1.00 38.08 ? 868 LYS A CA 1 ATOM 1689 C C . LYS A 1 247 ? -9.519 6.167 -16.048 1.00 36.11 ? 868 LYS A C 1 ATOM 1690 O O . LYS A 1 247 ? -8.968 5.103 -15.843 1.00 34.78 ? 868 LYS A O 1 ATOM 1691 C CB . LYS A 1 247 ? -7.881 8.100 -16.101 1.00 41.11 ? 868 LYS A CB 1 ATOM 1692 C CG . LYS A 1 247 ? -7.033 9.018 -16.968 1.00 46.72 ? 868 LYS A CG 1 ATOM 1693 C CD . LYS A 1 247 ? -6.087 9.902 -16.151 1.00 65.79 ? 868 LYS A CD 1 ATOM 1694 C CE . LYS A 1 247 ? -6.714 11.176 -15.583 1.00 68.94 ? 868 LYS A CE 1 ATOM 1695 N NZ . LYS A 1 247 ? -5.937 11.663 -14.400 1.00 63.00 ? 868 LYS A NZ 1 ATOM 1696 N N . SER A 1 248 ? -10.718 6.471 -15.535 1.00 35.23 ? 869 SER A N 1 ATOM 1697 C CA . SER A 1 248 ? -11.613 5.454 -14.910 1.00 33.70 ? 869 SER A CA 1 ATOM 1698 C C . SER A 1 248 ? -11.971 4.374 -15.916 1.00 29.46 ? 869 SER A C 1 ATOM 1699 O O . SER A 1 248 ? -11.997 3.208 -15.580 1.00 31.83 ? 869 SER A O 1 ATOM 1700 C CB . SER A 1 248 ? -12.931 6.071 -14.379 1.00 33.82 ? 869 SER A CB 1 ATOM 1701 O OG . SER A 1 248 ? -12.676 7.258 -13.662 1.00 48.73 ? 869 SER A OG 1 ATOM 1702 N N . ASP A 1 249 ? -12.267 4.785 -17.144 1.00 31.65 ? 870 ASP A N 1 ATOM 1703 C CA . ASP A 1 249 ? -12.505 3.854 -18.239 1.00 29.12 ? 870 ASP A CA 1 ATOM 1704 C C . ASP A 1 249 ? -11.302 2.972 -18.565 1.00 29.05 ? 870 ASP A C 1 ATOM 1705 O O . ASP A 1 249 ? -11.493 1.836 -18.930 1.00 29.89 ? 870 ASP A O 1 ATOM 1706 C CB . ASP A 1 249 ? -12.972 4.588 -19.497 1.00 32.91 ? 870 ASP A CB 1 ATOM 1707 C CG . ASP A 1 249 ? -14.428 4.961 -19.449 1.00 37.66 ? 870 ASP A CG 1 ATOM 1708 O OD1 . ASP A 1 249 ? -15.209 4.177 -18.872 1.00 35.90 ? 870 ASP A OD1 1 ATOM 1709 O OD2 . ASP A 1 249 ? -14.805 6.009 -20.033 1.00 35.11 ? 870 ASP A OD2 1 ATOM 1710 N N . VAL A 1 250 ? -10.084 3.483 -18.440 1.00 30.28 ? 871 VAL A N 1 ATOM 1711 C CA . VAL A 1 250 ? -8.889 2.636 -18.617 1.00 32.11 ? 871 VAL A CA 1 ATOM 1712 C C . VAL A 1 250 ? -8.875 1.485 -17.606 1.00 32.72 ? 871 VAL A C 1 ATOM 1713 O O . VAL A 1 250 ? -8.579 0.357 -17.994 1.00 33.11 ? 871 VAL A O 1 ATOM 1714 C CB . VAL A 1 250 ? -7.576 3.459 -18.593 1.00 34.61 ? 871 VAL A CB 1 ATOM 1715 C CG1 . VAL A 1 250 ? -6.316 2.561 -18.509 1.00 34.40 ? 871 VAL A CG1 1 ATOM 1716 C CG2 . VAL A 1 250 ? -7.512 4.341 -19.848 1.00 37.73 ? 871 VAL A CG2 1 ATOM 1717 N N . TRP A 1 251 ? -9.203 1.777 -16.339 1.00 32.49 ? 872 TRP A N 1 ATOM 1718 C CA . TRP A 1 251 ? -9.342 0.732 -15.295 1.00 30.46 ? 872 TRP A CA 1 ATOM 1719 C C . TRP A 1 251 ? -10.350 -0.319 -15.715 1.00 29.51 ? 872 TRP A C 1 ATOM 1720 O O . TRP A 1 251 ? -10.035 -1.511 -15.747 1.00 28.79 ? 872 TRP A O 1 ATOM 1721 C CB . TRP A 1 251 ? -9.727 1.342 -13.925 1.00 32.19 ? 872 TRP A CB 1 ATOM 1722 C CG . TRP A 1 251 ? -9.916 0.353 -12.804 1.00 28.46 ? 872 TRP A CG 1 ATOM 1723 C CD1 . TRP A 1 251 ? -10.919 -0.565 -12.674 1.00 27.94 ? 872 TRP A CD1 1 ATOM 1724 C CD2 . TRP A 1 251 ? -9.084 0.196 -11.667 1.00 28.87 ? 872 TRP A CD2 1 ATOM 1725 N NE1 . TRP A 1 251 ? -10.755 -1.293 -11.540 1.00 30.81 ? 872 TRP A NE1 1 ATOM 1726 C CE2 . TRP A 1 251 ? -9.646 -0.833 -10.881 1.00 32.11 ? 872 TRP A CE2 1 ATOM 1727 C CE3 . TRP A 1 251 ? -7.929 0.836 -11.215 1.00 32.23 ? 872 TRP A CE3 1 ATOM 1728 C CZ2 . TRP A 1 251 ? -9.068 -1.258 -9.688 1.00 29.89 ? 872 TRP A CZ2 1 ATOM 1729 C CZ3 . TRP A 1 251 ? -7.342 0.404 -10.018 1.00 34.71 ? 872 TRP A CZ3 1 ATOM 1730 C CH2 . TRP A 1 251 ? -7.911 -0.627 -9.273 1.00 31.54 ? 872 TRP A CH2 1 ATOM 1731 N N . SER A 1 252 ? -11.549 0.127 -16.054 1.00 27.45 ? 873 SER A N 1 ATOM 1732 C CA . SER A 1 252 ? -12.609 -0.780 -16.529 1.00 29.12 ? 873 SER A CA 1 ATOM 1733 C C . SER A 1 252 ? -12.178 -1.562 -17.753 1.00 32.61 ? 873 SER A C 1 ATOM 1734 O O . SER A 1 252 ? -12.481 -2.750 -17.865 1.00 29.60 ? 873 SER A O 1 ATOM 1735 C CB . SER A 1 252 ? -13.873 -0.006 -16.883 1.00 30.32 ? 873 SER A CB 1 ATOM 1736 O OG . SER A 1 252 ? -14.342 0.723 -15.790 1.00 33.00 ? 873 SER A OG 1 ATOM 1737 N N . TYR A 1 253 ? -11.465 -0.897 -18.662 1.00 29.60 ? 874 TYR A N 1 ATOM 1738 C CA . TYR A 1 253 ? -10.907 -1.579 -19.818 1.00 30.01 ? 874 TYR A CA 1 ATOM 1739 C C . TYR A 1 253 ? -9.955 -2.725 -19.399 1.00 29.68 ? 874 TYR A C 1 ATOM 1740 O O . TYR A 1 253 ? -9.983 -3.792 -20.003 1.00 34.12 ? 874 TYR A O 1 ATOM 1741 C CB . TYR A 1 253 ? -10.226 -0.595 -20.763 1.00 31.87 ? 874 TYR A CB 1 ATOM 1742 C CG . TYR A 1 253 ? -9.558 -1.269 -21.924 1.00 31.64 ? 874 TYR A CG 1 ATOM 1743 C CD1 . TYR A 1 253 ? -10.300 -1.663 -23.019 1.00 33.40 ? 874 TYR A CD1 1 ATOM 1744 C CD2 . TYR A 1 253 ? -8.201 -1.566 -21.899 1.00 31.39 ? 874 TYR A CD2 1 ATOM 1745 C CE1 . TYR A 1 253 ? -9.707 -2.303 -24.097 1.00 35.31 ? 874 TYR A CE1 1 ATOM 1746 C CE2 . TYR A 1 253 ? -7.589 -2.204 -22.972 1.00 36.81 ? 874 TYR A CE2 1 ATOM 1747 C CZ . TYR A 1 253 ? -8.358 -2.573 -24.061 1.00 36.94 ? 874 TYR A CZ 1 ATOM 1748 O OH . TYR A 1 253 ? -7.801 -3.215 -25.109 1.00 38.25 ? 874 TYR A OH 1 ATOM 1749 N N . GLY A 1 254 ? -9.119 -2.490 -18.402 1.00 29.66 ? 875 GLY A N 1 ATOM 1750 C CA . GLY A 1 254 ? -8.285 -3.553 -17.808 1.00 33.35 ? 875 GLY A CA 1 ATOM 1751 C C . GLY A 1 254 ? -9.093 -4.749 -17.332 1.00 29.70 ? 875 GLY A C 1 ATOM 1752 O O . GLY A 1 254 ? -8.757 -5.888 -17.635 1.00 32.62 ? 875 GLY A O 1 ATOM 1753 N N . ILE A 1 255 ? -10.205 -4.478 -16.649 1.00 29.26 ? 876 ILE A N 1 ATOM 1754 C CA . ILE A 1 255 ? -11.126 -5.540 -16.205 1.00 29.93 ? 876 ILE A CA 1 ATOM 1755 C C . ILE A 1 255 ? -11.683 -6.288 -17.426 1.00 30.74 ? 876 ILE A C 1 ATOM 1756 O O . ILE A 1 255 ? -11.726 -7.516 -17.435 1.00 30.52 ? 876 ILE A O 1 ATOM 1757 C CB . ILE A 1 255 ? -12.282 -5.022 -15.320 1.00 27.22 ? 876 ILE A CB 1 ATOM 1758 C CG1 . ILE A 1 255 ? -11.774 -4.235 -14.076 1.00 32.90 ? 876 ILE A CG1 1 ATOM 1759 C CG2 . ILE A 1 255 ? -13.170 -6.166 -14.852 1.00 29.86 ? 876 ILE A CG2 1 ATOM 1760 C CD1 . ILE A 1 255 ? -10.953 -5.021 -13.062 1.00 31.19 ? 876 ILE A CD1 1 ATOM 1761 N N . LEU A 1 256 ? -12.082 -5.533 -18.443 1.00 33.26 ? 877 LEU A N 1 ATOM 1762 C CA . LEU A 1 256 ? -12.614 -6.102 -19.681 1.00 31.47 ? 877 LEU A CA 1 ATOM 1763 C C . LEU A 1 256 ? -11.565 -6.973 -20.379 1.00 31.63 ? 877 LEU A C 1 ATOM 1764 O O . LEU A 1 256 ? -11.918 -8.021 -20.905 1.00 31.94 ? 877 LEU A O 1 ATOM 1765 C CB . LEU A 1 256 ? -13.178 -4.989 -20.568 1.00 30.41 ? 877 LEU A CB 1 ATOM 1766 C CG . LEU A 1 256 ? -13.939 -5.298 -21.880 1.00 37.59 ? 877 LEU A CG 1 ATOM 1767 C CD1 . LEU A 1 256 ? -14.788 -4.101 -22.280 1.00 42.66 ? 877 LEU A CD1 1 ATOM 1768 C CD2 . LEU A 1 256 ? -13.027 -5.616 -23.026 1.00 41.52 ? 877 LEU A CD2 1 ATOM 1769 N N . LEU A 1 257 ? -10.293 -6.552 -20.362 1.00 30.45 ? 878 LEU A N 1 ATOM 1770 C CA . LEU A 1 257 ? -9.193 -7.394 -20.836 1.00 31.64 ? 878 LEU A CA 1 ATOM 1771 C C . LEU A 1 257 ? -9.120 -8.711 -20.105 1.00 34.74 ? 878 LEU A C 1 ATOM 1772 O O . LEU A 1 257 ? -8.921 -9.741 -20.734 1.00 34.10 ? 878 LEU A O 1 ATOM 1773 C CB . LEU A 1 257 ? -7.824 -6.712 -20.720 1.00 34.16 ? 878 LEU A CB 1 ATOM 1774 C CG . LEU A 1 257 ? -7.392 -5.698 -21.772 1.00 45.28 ? 878 LEU A CG 1 ATOM 1775 C CD1 . LEU A 1 257 ? -5.969 -5.256 -21.451 1.00 46.36 ? 878 LEU A CD1 1 ATOM 1776 C CD2 . LEU A 1 257 ? -7.446 -6.269 -23.174 1.00 47.81 ? 878 LEU A CD2 1 ATOM 1777 N N . TRP A 1 258 ? -9.274 -8.673 -18.779 1.00 35.23 ? 879 TRP A N 1 ATOM 1778 C CA . TRP A 1 258 ? -9.296 -9.907 -17.971 1.00 34.48 ? 879 TRP A CA 1 ATOM 1779 C C . TRP A 1 258 ? -10.477 -10.802 -18.384 1.00 32.52 ? 879 TRP A C 1 ATOM 1780 O O . TRP A 1 258 ? -10.307 -12.019 -18.513 1.00 33.82 ? 879 TRP A O 1 ATOM 1781 C CB . TRP A 1 258 ? -9.322 -9.595 -16.464 1.00 33.16 ? 879 TRP A CB 1 ATOM 1782 C CG . TRP A 1 258 ? -8.990 -10.759 -15.610 1.00 33.46 ? 879 TRP A CG 1 ATOM 1783 C CD1 . TRP A 1 258 ? -7.771 -11.083 -15.126 1.00 35.70 ? 879 TRP A CD1 1 ATOM 1784 C CD2 . TRP A 1 258 ? -9.889 -11.761 -15.157 1.00 31.99 ? 879 TRP A CD2 1 ATOM 1785 N NE1 . TRP A 1 258 ? -7.839 -12.235 -14.384 1.00 36.58 ? 879 TRP A NE1 1 ATOM 1786 C CE2 . TRP A 1 258 ? -9.134 -12.676 -14.381 1.00 34.80 ? 879 TRP A CE2 1 ATOM 1787 C CE3 . TRP A 1 258 ? -11.273 -11.958 -15.297 1.00 33.59 ? 879 TRP A CE3 1 ATOM 1788 C CZ2 . TRP A 1 258 ? -9.707 -13.799 -13.752 1.00 33.91 ? 879 TRP A CZ2 1 ATOM 1789 C CZ3 . TRP A 1 258 ? -11.854 -13.071 -14.687 1.00 32.77 ? 879 TRP A CZ3 1 ATOM 1790 C CH2 . TRP A 1 258 ? -11.062 -13.984 -13.912 1.00 37.92 ? 879 TRP A CH2 1 ATOM 1791 N N . GLU A 1 259 ? -11.643 -10.196 -18.626 1.00 30.66 ? 880 GLU A N 1 ATOM 1792 C CA . GLU A 1 259 ? -12.799 -10.936 -19.175 1.00 32.00 ? 880 GLU A CA 1 ATOM 1793 C C . GLU A 1 259 ? -12.488 -11.601 -20.527 1.00 33.37 ? 880 GLU A C 1 ATOM 1794 O O . GLU A 1 259 ? -12.804 -12.785 -20.724 1.00 34.21 ? 880 GLU A O 1 ATOM 1795 C CB . GLU A 1 259 ? -14.032 -10.047 -19.358 1.00 33.44 ? 880 GLU A CB 1 ATOM 1796 C CG . GLU A 1 259 ? -14.609 -9.413 -18.126 1.00 31.73 ? 880 GLU A CG 1 ATOM 1797 C CD . GLU A 1 259 ? -15.888 -8.666 -18.449 1.00 33.57 ? 880 GLU A CD 1 ATOM 1798 O OE1 . GLU A 1 259 ? -15.825 -7.450 -18.793 1.00 32.27 ? 880 GLU A OE1 1 ATOM 1799 O OE2 . GLU A 1 259 ? -16.962 -9.287 -18.388 1.00 32.32 ? 880 GLU A OE2 1 ATOM 1800 N N . ILE A 1 260 ? -11.835 -10.865 -21.432 1.00 35.84 ? 881 ILE A N 1 ATOM 1801 C CA . ILE A 1 260 ? -11.474 -11.421 -22.773 1.00 38.59 ? 881 ILE A CA 1 ATOM 1802 C C . ILE A 1 260 ? -10.542 -12.623 -22.627 1.00 39.51 ? 881 ILE A C 1 ATOM 1803 O O . ILE A 1 260 ? -10.822 -13.711 -23.149 1.00 40.51 ? 881 ILE A O 1 ATOM 1804 C CB . ILE A 1 260 ? -10.854 -10.351 -23.721 1.00 36.95 ? 881 ILE A CB 1 ATOM 1805 C CG1 . ILE A 1 260 ? -11.956 -9.362 -24.144 1.00 36.18 ? 881 ILE A CG1 1 ATOM 1806 C CG2 . ILE A 1 260 ? -10.227 -10.989 -24.972 1.00 40.08 ? 881 ILE A CG2 1 ATOM 1807 C CD1 . ILE A 1 260 ? -11.487 -8.128 -24.873 1.00 38.66 ? 881 ILE A CD1 1 ATOM 1808 N N . PHE A 1 261 ? -9.441 -12.404 -21.914 1.00 37.37 ? 882 PHE A N 1 ATOM 1809 C CA . PHE A 1 261 ? -8.394 -13.406 -21.783 1.00 39.93 ? 882 PHE A CA 1 ATOM 1810 C C . PHE A 1 261 ? -8.654 -14.493 -20.721 1.00 37.51 ? 882 PHE A C 1 ATOM 1811 O O . PHE A 1 261 ? -7.810 -15.346 -20.520 1.00 38.95 ? 882 PHE A O 1 ATOM 1812 C CB . PHE A 1 261 ? -7.032 -12.709 -21.665 1.00 38.47 ? 882 PHE A CB 1 ATOM 1813 C CG . PHE A 1 261 ? -6.645 -12.004 -22.930 1.00 36.44 ? 882 PHE A CG 1 ATOM 1814 C CD1 . PHE A 1 261 ? -6.096 -12.728 -23.994 1.00 39.10 ? 882 PHE A CD1 1 ATOM 1815 C CD2 . PHE A 1 261 ? -6.896 -10.642 -23.107 1.00 38.08 ? 882 PHE A CD2 1 ATOM 1816 C CE1 . PHE A 1 261 ? -5.776 -12.102 -25.191 1.00 44.00 ? 882 PHE A CE1 1 ATOM 1817 C CE2 . PHE A 1 261 ? -6.566 -10.002 -24.300 1.00 37.98 ? 882 PHE A CE2 1 ATOM 1818 C CZ . PHE A 1 261 ? -6.002 -10.736 -25.344 1.00 41.43 ? 882 PHE A CZ 1 ATOM 1819 N N . SER A 1 262 ? -9.815 -14.454 -20.067 1.00 37.66 ? 883 SER A N 1 ATOM 1820 C CA . SER A 1 262 ? -10.374 -15.596 -19.322 1.00 37.65 ? 883 SER A CA 1 ATOM 1821 C C . SER A 1 262 ? -11.510 -16.315 -20.051 1.00 39.10 ? 883 SER A C 1 ATOM 1822 O O . SER A 1 262 ? -12.000 -17.291 -19.527 1.00 39.22 ? 883 SER A O 1 ATOM 1823 C CB . SER A 1 262 ? -10.873 -15.128 -17.936 1.00 35.87 ? 883 SER A CB 1 ATOM 1824 O OG . SER A 1 262 ? -11.963 -14.211 -18.029 1.00 32.00 ? 883 SER A OG 1 ATOM 1825 N N . LEU A 1 263 ? -11.890 -15.880 -21.266 1.00 38.89 ? 884 LEU A N 1 ATOM 1826 C CA . LEU A 1 263 ? -13.118 -16.324 -21.943 1.00 38.35 ? 884 LEU A CA 1 ATOM 1827 C C . LEU A 1 263 ? -14.406 -16.111 -21.116 1.00 37.03 ? 884 LEU A C 1 ATOM 1828 O O . LEU A 1 263 ? -15.277 -16.969 -21.049 1.00 37.56 ? 884 LEU A O 1 ATOM 1829 C CB . LEU A 1 263 ? -13.000 -17.766 -22.497 1.00 40.76 ? 884 LEU A CB 1 ATOM 1830 C CG . LEU A 1 263 ? -11.821 -18.055 -23.441 1.00 46.94 ? 884 LEU A CG 1 ATOM 1831 C CD1 . LEU A 1 263 ? -11.917 -19.476 -23.959 1.00 49.29 ? 884 LEU A CD1 1 ATOM 1832 C CD2 . LEU A 1 263 ? -11.711 -17.111 -24.626 1.00 49.77 ? 884 LEU A CD2 1 ATOM 1833 N N . GLY A 1 264 ? -14.524 -14.918 -20.549 1.00 34.99 ? 885 GLY A N 1 ATOM 1834 C CA . GLY A 1 264 ? -15.752 -14.459 -19.923 1.00 38.50 ? 885 GLY A CA 1 ATOM 1835 C C . GLY A 1 264 ? -16.003 -14.870 -18.482 1.00 35.45 ? 885 GLY A C 1 ATOM 1836 O O . GLY A 1 264 ? -17.154 -15.038 -18.092 1.00 41.12 ? 885 GLY A O 1 ATOM 1837 N N . VAL A 1 265 ? -14.943 -15.032 -17.693 1.00 36.07 ? 886 VAL A N 1 ATOM 1838 C CA . VAL A 1 265 ? -15.079 -15.338 -16.269 1.00 35.26 ? 886 VAL A CA 1 ATOM 1839 C C . VAL A 1 265 ? -15.469 -14.033 -15.565 1.00 34.52 ? 886 VAL A C 1 ATOM 1840 O O . VAL A 1 265 ? -15.040 -12.936 -15.966 1.00 32.78 ? 886 VAL A O 1 ATOM 1841 C CB . VAL A 1 265 ? -13.795 -16.030 -15.690 1.00 37.13 ? 886 VAL A CB 1 ATOM 1842 C CG1 . VAL A 1 265 ? -13.873 -16.208 -14.172 1.00 35.24 ? 886 VAL A CG1 1 ATOM 1843 C CG2 . VAL A 1 265 ? -13.585 -17.410 -16.346 1.00 33.28 ? 886 VAL A CG2 1 ATOM 1844 N N . ASN A 1 266 ? -16.345 -14.151 -14.564 1.00 35.25 ? 887 ASN A N 1 ATOM 1845 C CA . ASN A 1 266 ? -16.687 -13.028 -13.675 1.00 32.02 ? 887 ASN A CA 1 ATOM 1846 C C . ASN A 1 266 ? -15.382 -12.503 -13.049 1.00 34.28 ? 887 ASN A C 1 ATOM 1847 O O . ASN A 1 266 ? -14.586 -13.295 -12.539 1.00 31.85 ? 887 ASN A O 1 ATOM 1848 C CB . ASN A 1 266 ? -17.660 -13.489 -12.563 1.00 37.93 ? 887 ASN A CB 1 ATOM 1849 C CG . ASN A 1 266 ? -18.243 -12.333 -11.727 1.00 45.20 ? 887 ASN A CG 1 ATOM 1850 O OD1 . ASN A 1 266 ? -18.211 -12.377 -10.495 1.00 47.79 ? 887 ASN A OD1 1 ATOM 1851 N ND2 . ASN A 1 266 ? -18.838 -11.331 -12.389 1.00 43.45 ? 887 ASN A ND2 1 ATOM 1852 N N . PRO A 1 267 ? -15.133 -11.180 -13.101 1.00 31.21 ? 888 PRO A N 1 ATOM 1853 C CA . PRO A 1 267 ? -13.946 -10.646 -12.424 1.00 29.74 ? 888 PRO A CA 1 ATOM 1854 C C . PRO A 1 267 ? -13.933 -10.939 -10.923 1.00 31.23 ? 888 PRO A C 1 ATOM 1855 O O . PRO A 1 267 ? -14.998 -11.100 -10.318 1.00 31.72 ? 888 PRO A O 1 ATOM 1856 C CB . PRO A 1 267 ? -14.058 -9.134 -12.655 1.00 30.16 ? 888 PRO A CB 1 ATOM 1857 C CG . PRO A 1 267 ? -14.901 -8.979 -13.829 1.00 33.00 ? 888 PRO A CG 1 ATOM 1858 C CD . PRO A 1 267 ? -15.860 -10.129 -13.829 1.00 35.14 ? 888 PRO A CD 1 ATOM 1859 N N . TYR A 1 268 ? -12.730 -11.024 -10.355 1.00 31.26 ? 889 TYR A N 1 ATOM 1860 C CA . TYR A 1 268 ? -12.521 -11.367 -8.953 1.00 30.46 ? 889 TYR A CA 1 ATOM 1861 C C . TYR A 1 268 ? -13.333 -12.611 -8.604 1.00 28.69 ? 889 TYR A C 1 ATOM 1862 O O . TYR A 1 268 ? -14.205 -12.557 -7.737 1.00 31.61 ? 889 TYR A O 1 ATOM 1863 C CB . TYR A 1 268 ? -12.857 -10.178 -8.044 1.00 29.67 ? 889 TYR A CB 1 ATOM 1864 C CG . TYR A 1 268 ? -12.155 -8.875 -8.450 1.00 31.25 ? 889 TYR A CG 1 ATOM 1865 C CD1 . TYR A 1 268 ? -10.859 -8.551 -7.987 1.00 34.58 ? 889 TYR A CD1 1 ATOM 1866 C CD2 . TYR A 1 268 ? -12.813 -7.938 -9.262 1.00 30.65 ? 889 TYR A CD2 1 ATOM 1867 C CE1 . TYR A 1 268 ? -10.241 -7.346 -8.351 1.00 35.64 ? 889 TYR A CE1 1 ATOM 1868 C CE2 . TYR A 1 268 ? -12.211 -6.734 -9.619 1.00 28.46 ? 889 TYR A CE2 1 ATOM 1869 C CZ . TYR A 1 268 ? -10.922 -6.444 -9.182 1.00 32.97 ? 889 TYR A CZ 1 ATOM 1870 O OH . TYR A 1 268 ? -10.364 -5.242 -9.546 1.00 32.24 ? 889 TYR A OH 1 ATOM 1871 N N . PRO A 1 269 ? -13.090 -13.722 -9.340 1.00 30.62 ? 890 PRO A N 1 ATOM 1872 C CA . PRO A 1 269 ? -13.973 -14.867 -9.258 1.00 31.89 ? 890 PRO A CA 1 ATOM 1873 C C . PRO A 1 269 ? -14.019 -15.471 -7.860 1.00 34.58 ? 890 PRO A C 1 ATOM 1874 O O . PRO A 1 269 ? -12.963 -15.710 -7.246 1.00 34.37 ? 890 PRO A O 1 ATOM 1875 C CB . PRO A 1 269 ? -13.368 -15.856 -10.269 1.00 35.18 ? 890 PRO A CB 1 ATOM 1876 C CG . PRO A 1 269 ? -11.942 -15.472 -10.350 1.00 35.18 ? 890 PRO A CG 1 ATOM 1877 C CD . PRO A 1 269 ? -11.953 -13.984 -10.240 1.00 31.89 ? 890 PRO A CD 1 ATOM 1878 N N . GLY A 1 270 ? -15.243 -15.665 -7.367 1.00 38.70 ? 891 GLY A N 1 ATOM 1879 C CA . GLY A 1 270 ? -15.513 -16.205 -6.040 1.00 34.89 ? 891 GLY A CA 1 ATOM 1880 C C . GLY A 1 270 ? -15.415 -15.204 -4.904 1.00 35.71 ? 891 GLY A C 1 ATOM 1881 O O . GLY A 1 270 ? -15.561 -15.605 -3.745 1.00 37.81 ? 891 GLY A O 1 ATOM 1882 N N . ILE A 1 271 ? -15.162 -13.924 -5.210 1.00 33.51 ? 892 ILE A N 1 ATOM 1883 C CA . ILE A 1 271 ? -15.077 -12.878 -4.198 1.00 35.75 ? 892 ILE A CA 1 ATOM 1884 C C . ILE A 1 271 ? -16.411 -12.142 -4.268 1.00 34.60 ? 892 ILE A C 1 ATOM 1885 O O . ILE A 1 271 ? -16.724 -11.597 -5.322 1.00 33.72 ? 892 ILE A O 1 ATOM 1886 C CB . ILE A 1 271 ? -13.901 -11.917 -4.456 1.00 34.13 ? 892 ILE A CB 1 ATOM 1887 C CG1 . ILE A 1 271 ? -12.572 -12.704 -4.344 1.00 39.56 ? 892 ILE A CG1 1 ATOM 1888 C CG2 . ILE A 1 271 ? -13.973 -10.743 -3.482 1.00 34.55 ? 892 ILE A CG2 1 ATOM 1889 C CD1 . ILE A 1 271 ? -11.306 -11.920 -4.592 1.00 38.48 ? 892 ILE A CD1 1 ATOM 1890 N N . PRO A 1 272 ? -17.194 -12.135 -3.167 1.00 35.94 ? 893 PRO A N 1 ATOM 1891 C CA . PRO A 1 272 ? -18.476 -11.411 -3.196 1.00 36.02 ? 893 PRO A CA 1 ATOM 1892 C C . PRO A 1 272 ? -18.302 -9.884 -3.190 1.00 36.05 ? 893 PRO A C 1 ATOM 1893 O O . PRO A 1 272 ? -17.215 -9.352 -2.877 1.00 35.08 ? 893 PRO A O 1 ATOM 1894 C CB . PRO A 1 272 ? -19.209 -11.915 -1.936 1.00 39.72 ? 893 PRO A CB 1 ATOM 1895 C CG . PRO A 1 272 ? -18.136 -12.399 -1.012 1.00 39.46 ? 893 PRO A CG 1 ATOM 1896 C CD . PRO A 1 272 ? -16.946 -12.776 -1.859 1.00 38.71 ? 893 PRO A CD 1 ATOM 1897 N N . VAL A 1 273 ? -19.364 -9.197 -3.592 1.00 35.58 ? 894 VAL A N 1 ATOM 1898 C CA . VAL A 1 273 ? -19.430 -7.742 -3.522 1.00 33.63 ? 894 VAL A CA 1 ATOM 1899 C C . VAL A 1 273 ? -20.012 -7.424 -2.164 1.00 32.02 ? 894 VAL A C 1 ATOM 1900 O O . VAL A 1 273 ? -21.195 -7.655 -1.907 1.00 35.44 ? 894 VAL A O 1 ATOM 1901 C CB . VAL A 1 273 ? -20.261 -7.131 -4.674 1.00 37.52 ? 894 VAL A CB 1 ATOM 1902 C CG1 . VAL A 1 273 ? -20.291 -5.617 -4.545 1.00 41.71 ? 894 VAL A CG1 1 ATOM 1903 C CG2 . VAL A 1 273 ? -19.654 -7.505 -6.014 1.00 35.56 ? 894 VAL A CG2 1 ATOM 1904 N N . ASP A 1 274 ? -19.150 -6.943 -1.273 1.00 35.08 ? 895 ASP A N 1 ATOM 1905 C CA . ASP A 1 274 ? -19.528 -6.581 0.103 1.00 34.73 ? 895 ASP A CA 1 ATOM 1906 C C . ASP A 1 274 ? -18.517 -5.551 0.606 1.00 35.02 ? 895 ASP A C 1 ATOM 1907 O O . ASP A 1 274 ? -17.681 -5.133 -0.155 1.00 36.52 ? 895 ASP A O 1 ATOM 1908 C CB . ASP A 1 274 ? -19.626 -7.836 1.013 1.00 38.81 ? 895 ASP A CB 1 ATOM 1909 C CG . ASP A 1 274 ? -18.314 -8.669 1.073 1.00 40.58 ? 895 ASP A CG 1 ATOM 1910 O OD1 . ASP A 1 274 ? -17.219 -8.132 0.772 1.00 36.02 ? 895 ASP A OD1 1 ATOM 1911 O OD2 . ASP A 1 274 ? -18.398 -9.872 1.442 1.00 40.90 ? 895 ASP A OD2 1 ATOM 1912 N N . ALA A 1 275 ? -18.595 -5.134 1.858 1.00 35.34 ? 896 ALA A N 1 ATOM 1913 C CA . ALA A 1 275 ? -17.630 -4.163 2.382 1.00 37.65 ? 896 ALA A CA 1 ATOM 1914 C C . ALA A 1 275 ? -16.142 -4.628 2.300 1.00 41.16 ? 896 ALA A C 1 ATOM 1915 O O . ALA A 1 275 ? -15.259 -3.801 2.109 1.00 38.54 ? 896 ALA A O 1 ATOM 1916 C CB . ALA A 1 275 ? -17.996 -3.789 3.794 1.00 37.63 ? 896 ALA A CB 1 ATOM 1917 N N . ASN A 1 276 ? -15.886 -5.935 2.400 1.00 39.21 ? 897 ASN A N 1 ATOM 1918 C CA . ASN A 1 276 ? -14.531 -6.467 2.177 1.00 38.42 ? 897 ASN A CA 1 ATOM 1919 C C . ASN A 1 276 ? -13.999 -6.243 0.774 1.00 35.49 ? 897 ASN A C 1 ATOM 1920 O O . ASN A 1 276 ? -12.804 -6.028 0.627 1.00 33.06 ? 897 ASN A O 1 ATOM 1921 C CB . ASN A 1 276 ? -14.402 -7.954 2.550 1.00 35.96 ? 897 ASN A CB 1 ATOM 1922 C CG . ASN A 1 276 ? -14.505 -8.197 4.041 1.00 35.32 ? 897 ASN A CG 1 ATOM 1923 O OD1 . ASN A 1 276 ? -14.219 -7.319 4.861 1.00 40.83 ? 897 ASN A OD1 1 ATOM 1924 N ND2 . ASN A 1 276 ? -14.919 -9.396 4.407 1.00 36.52 ? 897 ASN A ND2 1 ATOM 1925 N N . PHE A 1 277 ? -14.872 -6.281 -0.232 1.00 32.61 ? 898 PHE A N 1 ATOM 1926 C CA . PHE A 1 277 ? -14.488 -5.990 -1.578 1.00 32.28 ? 898 PHE A CA 1 ATOM 1927 C C . PHE A 1 277 ? -13.961 -4.555 -1.746 1.00 35.89 ? 898 PHE A C 1 ATOM 1928 O O . PHE A 1 277 ? -12.941 -4.343 -2.393 1.00 32.85 ? 898 PHE A O 1 ATOM 1929 C CB . PHE A 1 277 ? -15.621 -6.221 -2.571 1.00 34.83 ? 898 PHE A CB 1 ATOM 1930 C CG . PHE A 1 277 ? -15.178 -6.027 -3.973 1.00 31.64 ? 898 PHE A CG 1 ATOM 1931 C CD1 . PHE A 1 277 ? -14.422 -7.006 -4.600 1.00 34.94 ? 898 PHE A CD1 1 ATOM 1932 C CD2 . PHE A 1 277 ? -15.382 -4.798 -4.627 1.00 33.77 ? 898 PHE A CD2 1 ATOM 1933 C CE1 . PHE A 1 277 ? -13.932 -6.801 -5.887 1.00 33.30 ? 898 PHE A CE1 1 ATOM 1934 C CE2 . PHE A 1 277 ? -14.889 -4.594 -5.904 1.00 31.14 ? 898 PHE A CE2 1 ATOM 1935 C CZ . PHE A 1 277 ? -14.157 -5.595 -6.529 1.00 34.65 ? 898 PHE A CZ 1 ATOM 1936 N N . TYR A 1 278 ? -14.694 -3.604 -1.186 1.00 35.04 ? 899 TYR A N 1 ATOM 1937 C CA . TYR A 1 278 ? -14.301 -2.206 -1.137 1.00 37.27 ? 899 TYR A CA 1 ATOM 1938 C C . TYR A 1 278 ? -12.916 -2.038 -0.477 1.00 38.82 ? 899 TYR A C 1 ATOM 1939 O O . TYR A 1 278 ? -12.066 -1.333 -1.030 1.00 35.04 ? 899 TYR A O 1 ATOM 1940 C CB . TYR A 1 278 ? -15.393 -1.352 -0.440 1.00 41.61 ? 899 TYR A CB 1 ATOM 1941 C CG . TYR A 1 278 ? -16.609 -1.011 -1.350 1.00 51.46 ? 899 TYR A CG 1 ATOM 1942 C CD1 . TYR A 1 278 ? -17.618 -1.952 -1.629 1.00 49.73 ? 899 TYR A CD1 1 ATOM 1943 C CD2 . TYR A 1 278 ? -16.764 0.272 -1.903 1.00 56.48 ? 899 TYR A CD2 1 ATOM 1944 C CE1 . TYR A 1 278 ? -18.720 -1.639 -2.438 1.00 52.77 ? 899 TYR A CE1 1 ATOM 1945 C CE2 . TYR A 1 278 ? -17.863 0.598 -2.703 1.00 61.99 ? 899 TYR A CE2 1 ATOM 1946 C CZ . TYR A 1 278 ? -18.838 -0.364 -2.971 1.00 61.59 ? 899 TYR A CZ 1 ATOM 1947 O OH . TYR A 1 278 ? -19.924 -0.040 -3.747 1.00 59.96 ? 899 TYR A OH 1 ATOM 1948 N N . LYS A 1 279 ? -12.681 -2.716 0.654 1.00 35.17 ? 900 LYS A N 1 ATOM 1949 C CA . LYS A 1 279 ? -11.370 -2.713 1.294 1.00 39.14 ? 900 LYS A CA 1 ATOM 1950 C C . LYS A 1 279 ? -10.272 -3.335 0.437 1.00 34.29 ? 900 LYS A C 1 ATOM 1951 O O . LYS A 1 279 ? -9.192 -2.778 0.422 1.00 39.70 ? 900 LYS A O 1 ATOM 1952 C CB . LYS A 1 279 ? -11.356 -3.401 2.671 1.00 42.34 ? 900 LYS A CB 1 ATOM 1953 C CG . LYS A 1 279 ? -12.181 -2.700 3.732 1.00 50.99 ? 900 LYS A CG 1 ATOM 1954 C CD . LYS A 1 279 ? -11.633 -2.870 5.155 1.00 54.45 ? 900 LYS A CD 1 ATOM 1955 C CE . LYS A 1 279 ? -11.545 -4.310 5.593 1.00 50.65 ? 900 LYS A CE 1 ATOM 1956 N NZ . LYS A 1 279 ? -11.660 -4.399 7.076 1.00 50.49 ? 900 LYS A NZ 1 ATOM 1957 N N . LEU A 1 280 ? -10.553 -4.444 -0.261 1.00 33.13 ? 901 LEU A N 1 ATOM 1958 C CA . LEU A 1 280 ? -9.573 -5.117 -1.130 1.00 37.43 ? 901 LEU A CA 1 ATOM 1959 C C . LEU A 1 280 ? -9.060 -4.118 -2.161 1.00 34.69 ? 901 LEU A C 1 ATOM 1960 O O . LEU A 1 280 ? -7.864 -3.957 -2.307 1.00 34.98 ? 901 LEU A O 1 ATOM 1961 C CB . LEU A 1 280 ? -10.133 -6.327 -1.912 1.00 42.03 ? 901 LEU A CB 1 ATOM 1962 C CG . LEU A 1 280 ? -10.763 -7.556 -1.269 1.00 55.47 ? 901 LEU A CG 1 ATOM 1963 C CD1 . LEU A 1 280 ? -10.681 -8.775 -2.178 1.00 62.64 ? 901 LEU A CD1 1 ATOM 1964 C CD2 . LEU A 1 280 ? -10.109 -7.820 0.069 1.00 72.24 ? 901 LEU A CD2 1 ATOM 1965 N N . ILE A 1 281 ? -9.996 -3.446 -2.829 1.00 33.59 ? 902 ILE A N 1 ATOM 1966 C CA . ILE A 1 281 ? -9.674 -2.503 -3.904 1.00 36.48 ? 902 ILE A CA 1 ATOM 1967 C C . ILE A 1 281 ? -8.904 -1.330 -3.358 1.00 32.29 ? 902 ILE A C 1 ATOM 1968 O O . ILE A 1 281 ? -7.896 -0.957 -3.939 1.00 32.33 ? 902 ILE A O 1 ATOM 1969 C CB . ILE A 1 281 ? -10.938 -2.022 -4.653 1.00 34.16 ? 902 ILE A CB 1 ATOM 1970 C CG1 . ILE A 1 281 ? -11.602 -3.195 -5.387 1.00 32.34 ? 902 ILE A CG1 1 ATOM 1971 C CG2 . ILE A 1 281 ? -10.622 -0.909 -5.646 1.00 38.52 ? 902 ILE A CG2 1 ATOM 1972 C CD1 . ILE A 1 281 ? -10.745 -3.927 -6.425 1.00 35.30 ? 902 ILE A CD1 1 ATOM 1973 N N . GLN A 1 282 ? -9.364 -0.776 -2.239 1.00 34.43 ? 903 GLN A N 1 ATOM 1974 C CA . GLN A 1 282 ? -8.660 0.326 -1.559 1.00 38.25 ? 903 GLN A CA 1 ATOM 1975 C C . GLN A 1 282 ? -7.198 0.007 -1.220 1.00 39.55 ? 903 GLN A C 1 ATOM 1976 O O . GLN A 1 282 ? -6.360 0.903 -1.232 1.00 40.57 ? 903 GLN A O 1 ATOM 1977 C CB . GLN A 1 282 ? -9.394 0.685 -0.255 1.00 45.30 ? 903 GLN A CB 1 ATOM 1978 C CG . GLN A 1 282 ? -8.884 1.913 0.475 1.00 55.55 ? 903 GLN A CG 1 ATOM 1979 C CD . GLN A 1 282 ? -10.031 2.799 0.970 1.00 82.57 ? 903 GLN A CD 1 ATOM 1980 O OE1 . GLN A 1 282 ? -10.606 2.549 2.043 1.00 76.79 ? 903 GLN A OE1 1 ATOM 1981 N NE2 . GLN A 1 282 ? -10.393 3.822 0.170 1.00 68.39 ? 903 GLN A NE2 1 ATOM 1982 N N . ASN A 1 283 ? -6.920 -1.254 -0.869 1.00 36.19 ? 904 ASN A N 1 ATOM 1983 C CA . ASN A 1 283 ? -5.568 -1.666 -0.468 1.00 42.85 ? 904 ASN A CA 1 ATOM 1984 C C . ASN A 1 283 ? -4.648 -2.034 -1.648 1.00 39.93 ? 904 ASN A C 1 ATOM 1985 O O . ASN A 1 283 ? -3.494 -2.320 -1.420 1.00 43.92 ? 904 ASN A O 1 ATOM 1986 C CB . ASN A 1 283 ? -5.647 -2.822 0.554 1.00 41.69 ? 904 ASN A CB 1 ATOM 1987 C CG . ASN A 1 283 ? -6.085 -2.355 1.940 1.00 49.37 ? 904 ASN A CG 1 ATOM 1988 O OD1 . ASN A 1 283 ? -5.586 -1.361 2.447 1.00 53.80 ? 904 ASN A OD1 1 ATOM 1989 N ND2 . ASN A 1 283 ? -6.993 -3.093 2.571 1.00 54.36 ? 904 ASN A ND2 1 ATOM 1990 N N . GLY A 1 284 ? -5.159 -2.043 -2.881 1.00 37.72 ? 905 GLY A N 1 ATOM 1991 C CA . GLY A 1 284 ? -4.358 -2.316 -4.083 1.00 36.04 ? 905 GLY A CA 1 ATOM 1992 C C . GLY A 1 284 ? -4.440 -3.740 -4.592 1.00 35.90 ? 905 GLY A C 1 ATOM 1993 O O . GLY A 1 284 ? -3.585 -4.162 -5.356 1.00 41.95 ? 905 GLY A O 1 ATOM 1994 N N . PHE A 1 285 ? -5.481 -4.476 -4.204 1.00 37.87 ? 906 PHE A N 1 ATOM 1995 C CA . PHE A 1 285 ? -5.722 -5.833 -4.709 1.00 39.60 ? 906 PHE A CA 1 ATOM 1996 C C . PHE A 1 285 ? -5.950 -5.768 -6.226 1.00 36.65 ? 906 PHE A C 1 ATOM 1997 O O . PHE A 1 285 ? -6.722 -4.938 -6.694 1.00 40.21 ? 906 PHE A O 1 ATOM 1998 C CB . PHE A 1 285 ? -6.937 -6.472 -4.009 1.00 41.01 ? 906 PHE A CB 1 ATOM 1999 C CG . PHE A 1 285 ? -7.102 -7.957 -4.262 1.00 39.51 ? 906 PHE A CG 1 ATOM 2000 C CD1 . PHE A 1 285 ? -7.724 -8.419 -5.427 1.00 41.88 ? 906 PHE A CD1 1 ATOM 2001 C CD2 . PHE A 1 285 ? -6.678 -8.888 -3.331 1.00 40.11 ? 906 PHE A CD2 1 ATOM 2002 C CE1 . PHE A 1 285 ? -7.905 -9.777 -5.647 1.00 46.47 ? 906 PHE A CE1 1 ATOM 2003 C CE2 . PHE A 1 285 ? -6.852 -10.256 -3.555 1.00 40.09 ? 906 PHE A CE2 1 ATOM 2004 C CZ . PHE A 1 285 ? -7.473 -10.694 -4.700 1.00 43.01 ? 906 PHE A CZ 1 ATOM 2005 N N . LYS A 1 286 ? -5.214 -6.606 -6.957 1.00 37.88 ? 907 LYS A N 1 ATOM 2006 C CA . LYS A 1 286 ? -5.352 -6.795 -8.393 1.00 39.19 ? 907 LYS A CA 1 ATOM 2007 C C . LYS A 1 286 ? -5.510 -8.287 -8.691 1.00 37.94 ? 907 LYS A C 1 ATOM 2008 O O . LYS A 1 286 ? -4.893 -9.132 -8.029 1.00 39.64 ? 907 LYS A O 1 ATOM 2009 C CB . LYS A 1 286 ? -4.108 -6.293 -9.088 1.00 42.99 ? 907 LYS A CB 1 ATOM 2010 C CG . LYS A 1 286 ? -3.946 -4.782 -9.090 1.00 42.03 ? 907 LYS A CG 1 ATOM 2011 C CD . LYS A 1 286 ? -2.531 -4.453 -9.545 1.00 49.46 ? 907 LYS A CD 1 ATOM 2012 C CE . LYS A 1 286 ? -2.166 -2.986 -9.379 1.00 60.91 ? 907 LYS A CE 1 ATOM 2013 N NZ . LYS A 1 286 ? -1.195 -2.535 -10.435 1.00 68.53 ? 907 LYS A NZ 1 ATOM 2014 N N . MET A 1 287 ? -6.319 -8.602 -9.693 1.00 35.38 ? 908 MET A N 1 ATOM 2015 C CA . MET A 1 287 ? -6.435 -9.981 -10.205 1.00 34.52 ? 908 MET A CA 1 ATOM 2016 C C . MET A 1 287 ? -5.127 -10.553 -10.740 1.00 38.61 ? 908 MET A C 1 ATOM 2017 O O . MET A 1 287 ? -4.231 -9.804 -11.133 1.00 37.96 ? 908 MET A O 1 ATOM 2018 C CB . MET A 1 287 ? -7.479 -10.062 -11.324 1.00 31.89 ? 908 MET A CB 1 ATOM 2019 C CG . MET A 1 287 ? -8.891 -9.947 -10.831 1.00 31.81 ? 908 MET A CG 1 ATOM 2020 S SD . MET A 1 287 ? -10.100 -10.261 -12.115 1.00 35.32 ? 908 MET A SD 1 ATOM 2021 C CE . MET A 1 287 ? -10.194 -8.644 -12.896 1.00 33.87 ? 908 MET A CE 1 ATOM 2022 N N . ASP A 1 288 ? -5.064 -11.888 -10.767 1.00 36.67 ? 909 ASP A N 1 ATOM 2023 C CA . ASP A 1 288 ? -3.961 -12.642 -11.354 1.00 40.40 ? 909 ASP A CA 1 ATOM 2024 C C . ASP A 1 288 ? -4.094 -12.693 -12.868 1.00 38.40 ? 909 ASP A C 1 ATOM 2025 O O . ASP A 1 288 ? -5.133 -12.339 -13.438 1.00 38.75 ? 909 ASP A O 1 ATOM 2026 C CB . ASP A 1 288 ? -3.956 -14.091 -10.832 1.00 45.44 ? 909 ASP A CB 1 ATOM 2027 C CG . ASP A 1 288 ? -3.783 -14.173 -9.311 1.00 63.96 ? 909 ASP A CG 1 ATOM 2028 O OD1 . ASP A 1 288 ? -2.920 -13.429 -8.764 1.00 52.74 ? 909 ASP A OD1 1 ATOM 2029 O OD2 . ASP A 1 288 ? -4.534 -14.949 -8.655 1.00 61.85 ? 909 ASP A OD2 1 ATOM 2030 N N . GLN A 1 289 ? -3.034 -13.181 -13.498 1.00 41.05 ? 910 GLN A N 1 ATOM 2031 C CA . GLN A 1 289 ? -2.985 -13.408 -14.934 1.00 44.13 ? 910 GLN A CA 1 ATOM 2032 C C . GLN A 1 289 ? -3.979 -14.503 -15.323 1.00 42.57 ? 910 GLN A C 1 ATOM 2033 O O . GLN A 1 289 ? -3.841 -15.614 -14.851 1.00 43.80 ? 910 GLN A O 1 ATOM 2034 C CB . GLN A 1 289 ? -1.577 -13.834 -15.350 1.00 47.20 ? 910 GLN A CB 1 ATOM 2035 C CG . GLN A 1 289 ? -1.396 -14.070 -16.843 1.00 47.94 ? 910 GLN A CG 1 ATOM 2036 C CD . GLN A 1 289 ? 0.035 -14.377 -17.243 1.00 50.67 ? 910 GLN A CD 1 ATOM 2037 O OE1 . GLN A 1 289 ? 0.983 -14.028 -16.550 1.00 56.68 ? 910 GLN A OE1 1 ATOM 2038 N NE2 . GLN A 1 289 ? 0.192 -15.020 -18.390 1.00 53.50 ? 910 GLN A NE2 1 ATOM 2039 N N . PRO A 1 290 ? -4.955 -14.194 -16.196 1.00 39.24 ? 911 PRO A N 1 ATOM 2040 C CA . PRO A 1 290 ? -5.870 -15.237 -16.654 1.00 40.66 ? 911 PRO A CA 1 ATOM 2041 C C . PRO A 1 290 ? -5.205 -16.169 -17.646 1.00 42.61 ? 911 PRO A C 1 ATOM 2042 O O . PRO A 1 290 ? -4.152 -15.839 -18.195 1.00 42.31 ? 911 PRO A O 1 ATOM 2043 C CB . PRO A 1 290 ? -7.010 -14.450 -17.295 1.00 41.77 ? 911 PRO A CB 1 ATOM 2044 C CG . PRO A 1 290 ? -6.378 -13.192 -17.769 1.00 42.84 ? 911 PRO A CG 1 ATOM 2045 C CD . PRO A 1 290 ? -5.201 -12.912 -16.884 1.00 42.73 ? 911 PRO A CD 1 ATOM 2046 N N . PHE A 1 291 ? -5.829 -17.319 -17.877 1.00 45.91 ? 912 PHE A N 1 ATOM 2047 C CA . PHE A 1 291 ? -5.185 -18.432 -18.582 1.00 49.80 ? 912 PHE A CA 1 ATOM 2048 C C . PHE A 1 291 ? -4.764 -18.111 -20.023 1.00 51.61 ? 912 PHE A C 1 ATOM 2049 O O . PHE A 1 291 ? -3.687 -18.520 -20.442 1.00 52.47 ? 912 PHE A O 1 ATOM 2050 C CB . PHE A 1 291 ? -6.076 -19.685 -18.557 1.00 54.73 ? 912 PHE A CB 1 ATOM 2051 C CG . PHE A 1 291 ? -5.464 -20.861 -19.253 1.00 58.75 ? 912 PHE A CG 1 ATOM 2052 C CD1 . PHE A 1 291 ? -4.488 -21.639 -18.609 1.00 61.68 ? 912 PHE A CD1 1 ATOM 2053 C CD2 . PHE A 1 291 ? -5.803 -21.161 -20.586 1.00 60.55 ? 912 PHE A CD2 1 ATOM 2054 C CE1 . PHE A 1 291 ? -3.897 -22.727 -19.270 1.00 65.67 ? 912 PHE A CE1 1 ATOM 2055 C CE2 . PHE A 1 291 ? -5.210 -22.243 -21.254 1.00 64.45 ? 912 PHE A CE2 1 ATOM 2056 C CZ . PHE A 1 291 ? -4.254 -23.025 -20.596 1.00 66.54 ? 912 PHE A CZ 1 ATOM 2057 N N . TYR A 1 292 ? -5.611 -17.395 -20.765 1.00 48.51 ? 913 TYR A N 1 ATOM 2058 C CA . TYR A 1 292 ? -5.339 -17.087 -22.180 1.00 49.10 ? 913 TYR A CA 1 ATOM 2059 C C . TYR A 1 292 ? -4.473 -15.835 -22.411 1.00 47.66 ? 913 TYR A C 1 ATOM 2060 O O . TYR A 1 292 ? -4.100 -15.543 -23.556 1.00 47.60 ? 913 TYR A O 1 ATOM 2061 C CB . TYR A 1 292 ? -6.642 -17.040 -22.991 1.00 48.56 ? 913 TYR A CB 1 ATOM 2062 C CG . TYR A 1 292 ? -7.429 -18.327 -22.879 1.00 48.70 ? 913 TYR A CG 1 ATOM 2063 C CD1 . TYR A 1 292 ? -7.164 -19.407 -23.727 1.00 51.15 ? 913 TYR A CD1 1 ATOM 2064 C CD2 . TYR A 1 292 ? -8.412 -18.488 -21.894 1.00 52.03 ? 913 TYR A CD2 1 ATOM 2065 C CE1 . TYR A 1 292 ? -7.867 -20.601 -23.611 1.00 56.43 ? 913 TYR A CE1 1 ATOM 2066 C CE2 . TYR A 1 292 ? -9.121 -19.680 -21.767 1.00 53.03 ? 913 TYR A CE2 1 ATOM 2067 C CZ . TYR A 1 292 ? -8.858 -20.727 -22.632 1.00 54.94 ? 913 TYR A CZ 1 ATOM 2068 O OH . TYR A 1 292 ? -9.555 -21.904 -22.487 1.00 63.41 ? 913 TYR A OH 1 ATOM 2069 N N . ALA A 1 293 ? -4.140 -15.114 -21.342 1.00 48.51 ? 914 ALA A N 1 ATOM 2070 C CA . ALA A 1 293 ? -3.228 -13.974 -21.435 1.00 52.19 ? 914 ALA A CA 1 ATOM 2071 C C . ALA A 1 293 ? -1.785 -14.447 -21.479 1.00 55.61 ? 914 ALA A C 1 ATOM 2072 O O . ALA A 1 293 ? -1.412 -15.399 -20.790 1.00 55.61 ? 914 ALA A O 1 ATOM 2073 C CB . ALA A 1 293 ? -3.422 -13.023 -20.270 1.00 46.63 ? 914 ALA A CB 1 ATOM 2074 N N . THR A 1 294 ? -0.983 -13.766 -22.289 1.00 56.08 ? 915 THR A N 1 ATOM 2075 C CA . THR A 1 294 ? 0.476 -13.804 -22.171 1.00 57.39 ? 915 THR A CA 1 ATOM 2076 C C . THR A 1 294 ? 0.916 -12.895 -21.036 1.00 54.31 ? 915 THR A C 1 ATOM 2077 O O . THR A 1 294 ? 0.149 -12.037 -20.592 1.00 51.71 ? 915 THR A O 1 ATOM 2078 C CB . THR A 1 294 ? 1.158 -13.291 -23.451 1.00 61.29 ? 915 THR A CB 1 ATOM 2079 O OG1 . THR A 1 294 ? 0.709 -11.956 -23.729 1.00 58.23 ? 915 THR A OG1 1 ATOM 2080 C CG2 . THR A 1 294 ? 0.845 -14.207 -24.634 1.00 62.27 ? 915 THR A CG2 1 ATOM 2081 N N . GLU A 1 295 ? 2.177 -13.035 -20.638 1.00 56.53 ? 916 GLU A N 1 ATOM 2082 C CA . GLU A 1 295 ? 2.801 -12.146 -19.642 1.00 58.89 ? 916 GLU A CA 1 ATOM 2083 C C . GLU A 1 295 ? 2.741 -10.649 -20.037 1.00 57.37 ? 916 GLU A C 1 ATOM 2084 O O . GLU A 1 295 ? 2.482 -9.794 -19.186 1.00 52.92 ? 916 GLU A O 1 ATOM 2085 C CB . GLU A 1 295 ? 4.247 -12.576 -19.357 1.00 65.76 ? 916 GLU A CB 1 ATOM 2086 C CG . GLU A 1 295 ? 4.822 -12.032 -18.059 1.00 75.12 ? 916 GLU A CG 1 ATOM 2087 N N . GLU A 1 296 ? 2.911 -10.363 -21.329 1.00 59.62 ? 917 GLU A N 1 ATOM 2088 C CA . GLU A 1 296 ? 2.915 -8.990 -21.856 1.00 61.49 ? 917 GLU A CA 1 ATOM 2089 C C . GLU A 1 296 ? 1.535 -8.362 -21.778 1.00 54.42 ? 917 GLU A C 1 ATOM 2090 O O . GLU A 1 296 ? 1.405 -7.202 -21.406 1.00 55.62 ? 917 GLU A O 1 ATOM 2091 C CB . GLU A 1 296 ? 3.404 -8.931 -23.312 1.00 70.38 ? 917 GLU A CB 1 ATOM 2092 C CG . GLU A 1 296 ? 4.828 -9.436 -23.559 1.00 82.25 ? 917 GLU A CG 1 ATOM 2093 C CD . GLU A 1 296 ? 4.883 -10.880 -24.053 1.00 93.65 ? 917 GLU A CD 1 ATOM 2094 O OE1 . GLU A 1 296 ? 4.502 -11.788 -23.275 1.00 87.63 ? 917 GLU A OE1 1 ATOM 2095 O OE2 . GLU A 1 296 ? 5.309 -11.107 -25.209 1.00 102.66 ? 917 GLU A OE2 1 ATOM 2096 N N . ILE A 1 297 ? 0.508 -9.131 -22.130 1.00 51.85 ? 918 ILE A N 1 ATOM 2097 C CA . ILE A 1 297 ? -0.887 -8.695 -21.953 1.00 49.88 ? 918 ILE A CA 1 ATOM 2098 C C . ILE A 1 297 ? -1.194 -8.442 -20.468 1.00 46.82 ? 918 ILE A C 1 ATOM 2099 O O . ILE A 1 297 ? -1.869 -7.455 -20.139 1.00 44.63 ? 918 ILE A O 1 ATOM 2100 C CB . ILE A 1 297 ? -1.878 -9.682 -22.614 1.00 51.28 ? 918 ILE A CB 1 ATOM 2101 C CG1 . ILE A 1 297 ? -1.712 -9.606 -24.137 1.00 58.31 ? 918 ILE A CG1 1 ATOM 2102 C CG2 . ILE A 1 297 ? -3.330 -9.362 -22.264 1.00 49.89 ? 918 ILE A CG2 1 ATOM 2103 C CD1 . ILE A 1 297 ? -2.209 -10.823 -24.870 1.00 64.49 ? 918 ILE A CD1 1 ATOM 2104 N N . TYR A 1 298 ? -0.673 -9.296 -19.584 1.00 47.32 ? 919 TYR A N 1 ATOM 2105 C CA . TYR A 1 298 ? -0.891 -9.136 -18.147 1.00 48.14 ? 919 TYR A CA 1 ATOM 2106 C C . TYR A 1 298 ? -0.248 -7.870 -17.564 1.00 44.62 ? 919 TYR A C 1 ATOM 2107 O O . TYR A 1 298 ? -0.862 -7.211 -16.733 1.00 43.36 ? 919 TYR A O 1 ATOM 2108 C CB . TYR A 1 298 ? -0.438 -10.380 -17.355 1.00 52.38 ? 919 TYR A CB 1 ATOM 2109 C CG . TYR A 1 298 ? -0.757 -10.282 -15.884 1.00 47.26 ? 919 TYR A CG 1 ATOM 2110 C CD1 . TYR A 1 298 ? -2.066 -10.003 -15.461 1.00 45.45 ? 919 TYR A CD1 1 ATOM 2111 C CD2 . TYR A 1 298 ? 0.240 -10.408 -14.911 1.00 50.47 ? 919 TYR A CD2 1 ATOM 2112 C CE1 . TYR A 1 298 ? -2.386 -9.886 -14.125 1.00 45.68 ? 919 TYR A CE1 1 ATOM 2113 C CE2 . TYR A 1 298 ? -0.075 -10.300 -13.552 1.00 51.53 ? 919 TYR A CE2 1 ATOM 2114 C CZ . TYR A 1 298 ? -1.397 -10.040 -13.169 1.00 46.83 ? 919 TYR A CZ 1 ATOM 2115 O OH . TYR A 1 298 ? -1.761 -9.906 -11.844 1.00 46.61 ? 919 TYR A OH 1 ATOM 2116 N N . ILE A 1 299 ? 0.957 -7.531 -18.007 1.00 46.82 ? 920 ILE A N 1 ATOM 2117 C CA . ILE A 1 299 ? 1.601 -6.259 -17.619 1.00 52.62 ? 920 ILE A CA 1 ATOM 2118 C C . ILE A 1 299 ? 0.737 -5.048 -18.042 1.00 49.76 ? 920 ILE A C 1 ATOM 2119 O O . ILE A 1 299 ? 0.629 -4.088 -17.281 1.00 51.19 ? 920 ILE A O 1 ATOM 2120 C CB . ILE A 1 299 ? 3.053 -6.165 -18.160 1.00 57.09 ? 920 ILE A CB 1 ATOM 2121 C CG1 . ILE A 1 299 ? 3.944 -7.178 -17.420 1.00 55.98 ? 920 ILE A CG1 1 ATOM 2122 C CG2 . ILE A 1 299 ? 3.652 -4.754 -18.027 1.00 58.64 ? 920 ILE A CG2 1 ATOM 2123 C CD1 . ILE A 1 299 ? 5.240 -7.518 -18.145 1.00 64.14 ? 920 ILE A CD1 1 ATOM 2124 N N . ILE A 1 300 ? 0.119 -5.117 -19.222 1.00 45.92 ? 921 ILE A N 1 ATOM 2125 C CA . ILE A 1 300 ? -0.803 -4.073 -19.683 1.00 47.71 ? 921 ILE A CA 1 ATOM 2126 C C . ILE A 1 300 ? -2.037 -3.961 -18.760 1.00 50.04 ? 921 ILE A C 1 ATOM 2127 O O . ILE A 1 300 ? -2.399 -2.851 -18.360 1.00 45.67 ? 921 ILE A O 1 ATOM 2128 C CB . ILE A 1 300 ? -1.230 -4.287 -21.161 1.00 50.63 ? 921 ILE A CB 1 ATOM 2129 C CG1 . ILE A 1 300 ? -0.023 -4.116 -22.112 1.00 56.38 ? 921 ILE A CG1 1 ATOM 2130 C CG2 . ILE A 1 300 ? -2.337 -3.321 -21.571 1.00 48.26 ? 921 ILE A CG2 1 ATOM 2131 N N . MET A 1 301 ? -2.671 -5.099 -18.452 1.00 44.27 ? 922 MET A N 1 ATOM 2132 C CA . MET A 1 301 ? -3.791 -5.154 -17.496 1.00 45.60 ? 922 MET A CA 1 ATOM 2133 C C . MET A 1 301 ? -3.463 -4.489 -16.168 1.00 40.60 ? 922 MET A C 1 ATOM 2134 O O . MET A 1 301 ? -4.233 -3.668 -15.674 1.00 39.12 ? 922 MET A O 1 ATOM 2135 C CB . MET A 1 301 ? -4.188 -6.594 -17.153 1.00 45.94 ? 922 MET A CB 1 ATOM 2136 C CG . MET A 1 301 ? -5.071 -7.292 -18.125 1.00 50.61 ? 922 MET A CG 1 ATOM 2137 S SD . MET A 1 301 ? -5.385 -8.956 -17.475 1.00 45.85 ? 922 MET A SD 1 ATOM 2138 C CE . MET A 1 301 ? -5.499 -9.756 -19.061 1.00 43.69 ? 922 MET A CE 1 ATOM 2139 N N . GLN A 1 302 ? -2.333 -4.892 -15.594 1.00 38.91 ? 923 GLN A N 1 ATOM 2140 C CA . GLN A 1 302 ? -1.860 -4.351 -14.309 1.00 43.66 ? 923 GLN A CA 1 ATOM 2141 C C . GLN A 1 302 ? -1.673 -2.843 -14.295 1.00 44.16 ? 923 GLN A C 1 ATOM 2142 O O . GLN A 1 302 ? -2.000 -2.192 -13.275 1.00 42.47 ? 923 GLN A O 1 ATOM 2143 C CB . GLN A 1 302 ? -0.532 -5.002 -13.902 1.00 49.43 ? 923 GLN A CB 1 ATOM 2144 C CG . GLN A 1 302 ? -0.690 -6.425 -13.407 1.00 57.18 ? 923 GLN A CG 1 ATOM 2145 C CD . GLN A 1 302 ? 0.641 -6.990 -12.930 1.00 63.93 ? 923 GLN A CD 1 ATOM 2146 O OE1 . GLN A 1 302 ? 1.611 -7.027 -13.686 1.00 65.30 ? 923 GLN A OE1 1 ATOM 2147 N NE2 . GLN A 1 302 ? 0.697 -7.415 -11.681 1.00 59.64 ? 923 GLN A NE2 1 ATOM 2148 N N . SER A 1 303 ? -1.131 -2.311 -15.399 1.00 40.40 ? 924 SER A N 1 ATOM 2149 C CA . SER A 1 303 ? -0.932 -0.862 -15.579 1.00 44.10 ? 924 SER A CA 1 ATOM 2150 C C . SER A 1 303 ? -2.266 -0.124 -15.621 1.00 38.40 ? 924 SER A C 1 ATOM 2151 O O . SER A 1 303 ? -2.380 0.962 -15.073 1.00 40.88 ? 924 SER A O 1 ATOM 2152 C CB . SER A 1 303 ? -0.103 -0.545 -16.843 1.00 46.74 ? 924 SER A CB 1 ATOM 2153 O OG . SER A 1 303 ? -0.868 -0.784 -18.022 1.00 48.23 ? 924 SER A OG 1 ATOM 2154 N N . CYS A 1 304 ? -3.283 -0.733 -16.235 1.00 38.86 ? 925 CYS A N 1 ATOM 2155 C CA . CYS A 1 304 ? -4.645 -0.188 -16.183 1.00 35.14 ? 925 CYS A CA 1 ATOM 2156 C C . CYS A 1 304 ? -5.225 -0.093 -14.780 1.00 38.38 ? 925 CYS A C 1 ATOM 2157 O O . CYS A 1 304 ? -6.116 0.708 -14.567 1.00 34.08 ? 925 CYS A O 1 ATOM 2158 C CB . CYS A 1 304 ? -5.596 -1.009 -17.012 1.00 38.83 ? 925 CYS A CB 1 ATOM 2159 S SG . CYS A 1 304 ? -5.200 -1.049 -18.753 1.00 37.94 ? 925 CYS A SG 1 ATOM 2160 N N . TRP A 1 305 ? -4.731 -0.927 -13.853 1.00 38.19 ? 926 TRP A N 1 ATOM 2161 C CA . TRP A 1 305 ? -5.173 -0.969 -12.471 1.00 35.44 ? 926 TRP A CA 1 ATOM 2162 C C . TRP A 1 305 ? -4.271 -0.215 -11.509 1.00 37.24 ? 926 TRP A C 1 ATOM 2163 O O . TRP A 1 305 ? -4.376 -0.420 -10.314 1.00 35.98 ? 926 TRP A O 1 ATOM 2164 C CB . TRP A 1 305 ? -5.352 -2.429 -12.027 1.00 34.66 ? 926 TRP A CB 1 ATOM 2165 C CG . TRP A 1 305 ? -6.275 -3.226 -12.913 1.00 33.10 ? 926 TRP A CG 1 ATOM 2166 C CD1 . TRP A 1 305 ? -7.376 -2.771 -13.579 1.00 30.49 ? 926 TRP A CD1 1 ATOM 2167 C CD2 . TRP A 1 305 ? -6.181 -4.620 -13.205 1.00 31.61 ? 926 TRP A CD2 1 ATOM 2168 N NE1 . TRP A 1 305 ? -7.952 -3.786 -14.287 1.00 30.50 ? 926 TRP A NE1 1 ATOM 2169 C CE2 . TRP A 1 305 ? -7.244 -4.937 -14.072 1.00 30.15 ? 926 TRP A CE2 1 ATOM 2170 C CE3 . TRP A 1 305 ? -5.295 -5.631 -12.824 1.00 34.92 ? 926 TRP A CE3 1 ATOM 2171 C CZ2 . TRP A 1 305 ? -7.467 -6.230 -14.540 1.00 31.91 ? 926 TRP A CZ2 1 ATOM 2172 C CZ3 . TRP A 1 305 ? -5.502 -6.917 -13.309 1.00 32.99 ? 926 TRP A CZ3 1 ATOM 2173 C CH2 . TRP A 1 305 ? -6.582 -7.204 -14.149 1.00 36.54 ? 926 TRP A CH2 1 ATOM 2174 N N . ALA A 1 306 ? -3.426 0.697 -12.007 1.00 36.71 ? 927 ALA A N 1 ATOM 2175 C CA . ALA A 1 306 ? -2.691 1.607 -11.132 1.00 38.68 ? 927 ALA A CA 1 ATOM 2176 C C . ALA A 1 306 ? -3.719 2.396 -10.312 1.00 42.72 ? 927 ALA A C 1 ATOM 2177 O O . ALA A 1 306 ? -4.725 2.870 -10.868 1.00 38.76 ? 927 ALA A O 1 ATOM 2178 C CB . ALA A 1 306 ? -1.821 2.550 -11.935 1.00 45.71 ? 927 ALA A CB 1 ATOM 2179 N N . PHE A 1 307 ? -3.509 2.450 -8.996 1.00 40.71 ? 928 PHE A N 1 ATOM 2180 C CA . PHE A 1 307 ? -4.442 3.127 -8.092 1.00 41.84 ? 928 PHE A CA 1 ATOM 2181 C C . PHE A 1 307 ? -4.568 4.620 -8.445 1.00 40.99 ? 928 PHE A C 1 ATOM 2182 O O . PHE A 1 307 ? -5.680 5.157 -8.557 1.00 39.08 ? 928 PHE A O 1 ATOM 2183 C CB . PHE A 1 307 ? -4.020 2.942 -6.625 1.00 41.51 ? 928 PHE A CB 1 ATOM 2184 C CG . PHE A 1 307 ? -5.118 3.249 -5.662 1.00 43.78 ? 928 PHE A CG 1 ATOM 2185 C CD1 . PHE A 1 307 ? -6.053 2.257 -5.319 1.00 41.78 ? 928 PHE A CD1 1 ATOM 2186 C CD2 . PHE A 1 307 ? -5.284 4.542 -5.157 1.00 44.58 ? 928 PHE A CD2 1 ATOM 2187 C CE1 . PHE A 1 307 ? -7.111 2.543 -4.453 1.00 44.94 ? 928 PHE A CE1 1 ATOM 2188 C CE2 . PHE A 1 307 ? -6.343 4.837 -4.291 1.00 47.42 ? 928 PHE A CE2 1 ATOM 2189 C CZ . PHE A 1 307 ? -7.254 3.832 -3.932 1.00 44.54 ? 928 PHE A CZ 1 ATOM 2190 N N . ASP A 1 308 ? -3.408 5.245 -8.640 1.00 40.44 ? 929 ASP A N 1 ATOM 2191 C CA . ASP A 1 308 ? -3.282 6.613 -9.120 1.00 42.70 ? 929 ASP A CA 1 ATOM 2192 C C . ASP A 1 308 ? -3.626 6.629 -10.622 1.00 46.42 ? 929 ASP A C 1 ATOM 2193 O O . ASP A 1 308 ? -2.893 6.059 -11.433 1.00 43.58 ? 929 ASP A O 1 ATOM 2194 C CB . ASP A 1 308 ? -1.847 7.107 -8.853 1.00 47.17 ? 929 ASP A CB 1 ATOM 2195 C CG . ASP A 1 308 ? -1.633 8.600 -9.151 1.00 54.17 ? 929 ASP A CG 1 ATOM 2196 O OD1 . ASP A 1 308 ? -2.472 9.267 -9.778 1.00 56.89 ? 929 ASP A OD1 1 ATOM 2197 O OD2 . ASP A 1 308 ? -0.584 9.125 -8.737 1.00 62.28 ? 929 ASP A OD2 1 ATOM 2198 N N . SER A 1 309 ? -4.727 7.306 -10.971 1.00 42.67 ? 930 SER A N 1 ATOM 2199 C CA . SER A 1 309 ? -5.211 7.428 -12.357 1.00 42.22 ? 930 SER A CA 1 ATOM 2200 C C . SER A 1 309 ? -4.194 7.966 -13.361 1.00 44.38 ? 930 SER A C 1 ATOM 2201 O O . SER A 1 309 ? -4.256 7.608 -14.527 1.00 43.64 ? 930 SER A O 1 ATOM 2202 C CB . SER A 1 309 ? -6.456 8.318 -12.415 1.00 39.46 ? 930 SER A CB 1 ATOM 2203 O OG . SER A 1 309 ? -6.145 9.614 -11.922 1.00 43.67 ? 930 SER A OG 1 ATOM 2204 N N . ARG A 1 310 ? -3.292 8.823 -12.896 1.00 45.48 ? 931 ARG A N 1 ATOM 2205 C CA . ARG A 1 310 ? -2.240 9.401 -13.733 1.00 50.87 ? 931 ARG A CA 1 ATOM 2206 C C . ARG A 1 310 ? -1.171 8.400 -14.153 1.00 51.21 ? 931 ARG A C 1 ATOM 2207 O O . ARG A 1 310 ? -0.486 8.657 -15.122 1.00 50.44 ? 931 ARG A O 1 ATOM 2208 C CB . ARG A 1 310 ? -1.548 10.552 -13.012 1.00 56.38 ? 931 ARG A CB 1 ATOM 2209 C CG . ARG A 1 310 ? -2.457 11.724 -12.660 1.00 63.01 ? 931 ARG A CG 1 ATOM 2210 C CD . ARG A 1 310 ? -1.769 12.701 -11.709 1.00 70.07 ? 931 ARG A CD 1 ATOM 2211 N NE . ARG A 1 310 ? -1.372 12.078 -10.444 1.00 70.11 ? 931 ARG A NE 1 ATOM 2212 C CZ . ARG A 1 310 ? -0.815 12.711 -9.406 1.00 80.71 ? 931 ARG A CZ 1 ATOM 2213 N NH1 . ARG A 1 310 ? -0.585 14.033 -9.424 1.00 81.27 ? 931 ARG A NH1 1 ATOM 2214 N NH2 . ARG A 1 310 ? -0.493 12.005 -8.317 1.00 77.26 ? 931 ARG A NH2 1 ATOM 2215 N N . LYS A 1 311 ? -1.021 7.281 -13.435 1.00 49.75 ? 932 LYS A N 1 ATOM 2216 C CA . LYS A 1 311 ? -0.072 6.215 -13.830 1.00 52.42 ? 932 LYS A CA 1 ATOM 2217 C C . LYS A 1 311 ? -0.643 5.246 -14.845 1.00 47.48 ? 932 LYS A C 1 ATOM 2218 O O . LYS A 1 311 ? 0.110 4.460 -15.402 1.00 53.58 ? 932 LYS A O 1 ATOM 2219 C CB . LYS A 1 311 ? 0.443 5.444 -12.609 1.00 58.07 ? 932 LYS A CB 1 ATOM 2220 C CG . LYS A 1 311 ? 1.328 6.285 -11.701 1.00 67.77 ? 932 LYS A CG 1 ATOM 2221 C CD . LYS A 1 311 ? 1.682 5.522 -10.432 1.00 79.46 ? 932 LYS A CD 1 ATOM 2222 C CE . LYS A 1 311 ? 2.468 6.380 -9.450 1.00 89.45 ? 932 LYS A CE 1 ATOM 2223 N NZ . LYS A 1 311 ? 2.425 5.785 -8.085 1.00 92.54 ? 932 LYS A NZ 1 ATOM 2224 N N . ARG A 1 312 ? -1.955 5.291 -15.096 1.00 43.91 ? 933 ARG A N 1 ATOM 2225 C CA . ARG A 1 312 ? -2.588 4.386 -16.062 1.00 40.86 ? 933 ARG A CA 1 ATOM 2226 C C . ARG A 1 312 ? -2.249 4.824 -17.487 1.00 46.28 ? 933 ARG A C 1 ATOM 2227 O O . ARG A 1 312 ? -2.123 6.033 -17.746 1.00 46.71 ? 933 ARG A O 1 ATOM 2228 C CB . ARG A 1 312 ? -4.095 4.374 -15.890 1.00 38.48 ? 933 ARG A CB 1 ATOM 2229 C CG . ARG A 1 312 ? -4.524 3.855 -14.506 1.00 39.85 ? 933 ARG A CG 1 ATOM 2230 C CD . ARG A 1 312 ? -6.031 3.937 -14.301 1.00 36.50 ? 933 ARG A CD 1 ATOM 2231 N NE . ARG A 1 312 ? -6.336 3.992 -12.876 1.00 36.27 ? 933 ARG A NE 1 ATOM 2232 C CZ . ARG A 1 312 ? -7.399 4.564 -12.325 1.00 35.84 ? 933 ARG A CZ 1 ATOM 2233 N NH1 . ARG A 1 312 ? -8.354 5.138 -13.064 1.00 35.04 ? 933 ARG A NH1 1 ATOM 2234 N NH2 . ARG A 1 312 ? -7.485 4.606 -11.005 1.00 37.76 ? 933 ARG A NH2 1 ATOM 2235 N N . PRO A 1 313 ? -2.104 3.853 -18.412 1.00 45.03 ? 934 PRO A N 1 ATOM 2236 C CA . PRO A 1 313 ? -1.867 4.213 -19.814 1.00 45.08 ? 934 PRO A CA 1 ATOM 2237 C C . PRO A 1 313 ? -3.099 4.877 -20.428 1.00 44.77 ? 934 PRO A C 1 ATOM 2238 O O . PRO A 1 313 ? -4.218 4.710 -19.928 1.00 42.56 ? 934 PRO A O 1 ATOM 2239 C CB . PRO A 1 313 ? -1.584 2.852 -20.482 1.00 46.39 ? 934 PRO A CB 1 ATOM 2240 C CG . PRO A 1 313 ? -2.361 1.875 -19.649 1.00 47.89 ? 934 PRO A CG 1 ATOM 2241 C CD . PRO A 1 313 ? -2.232 2.385 -18.242 1.00 40.66 ? 934 PRO A CD 1 ATOM 2242 N N . SER A 1 314 ? -2.881 5.663 -21.475 1.00 46.61 ? 935 SER A N 1 ATOM 2243 C CA . SER A 1 314 ? -3.978 6.266 -22.236 1.00 45.00 ? 935 SER A CA 1 ATOM 2244 C C . SER A 1 314 ? -4.525 5.250 -23.250 1.00 42.82 ? 935 SER A C 1 ATOM 2245 O O . SER A 1 314 ? -3.912 4.216 -23.509 1.00 44.88 ? 935 SER A O 1 ATOM 2246 C CB . SER A 1 314 ? -3.470 7.506 -22.948 1.00 44.59 ? 935 SER A CB 1 ATOM 2247 O OG . SER A 1 314 ? -2.596 7.105 -23.972 1.00 48.42 ? 935 SER A OG 1 ATOM 2248 N N . PHE A 1 315 ? -5.666 5.565 -23.838 1.00 41.56 ? 936 PHE A N 1 ATOM 2249 C CA . PHE A 1 315 ? -6.225 4.723 -24.904 1.00 43.83 ? 936 PHE A CA 1 ATOM 2250 C C . PHE A 1 315 ? -5.399 4.686 -26.197 1.00 42.87 ? 936 PHE A C 1 ATOM 2251 O O . PHE A 1 315 ? -5.247 3.600 -26.773 1.00 44.47 ? 936 PHE A O 1 ATOM 2252 C CB . PHE A 1 315 ? -7.717 5.002 -25.143 1.00 40.54 ? 936 PHE A CB 1 ATOM 2253 C CG . PHE A 1 315 ? -8.604 4.363 -24.110 1.00 37.10 ? 936 PHE A CG 1 ATOM 2254 C CD1 . PHE A 1 315 ? -8.703 2.975 -24.036 1.00 33.53 ? 936 PHE A CD1 1 ATOM 2255 C CD2 . PHE A 1 315 ? -9.315 5.138 -23.183 1.00 37.16 ? 936 PHE A CD2 1 ATOM 2256 C CE1 . PHE A 1 315 ? -9.469 2.370 -23.066 1.00 31.19 ? 936 PHE A CE1 1 ATOM 2257 C CE2 . PHE A 1 315 ? -10.118 4.530 -22.229 1.00 33.54 ? 936 PHE A CE2 1 ATOM 2258 C CZ . PHE A 1 315 ? -10.203 3.144 -22.182 1.00 32.74 ? 936 PHE A CZ 1 ATOM 2259 N N . PRO A 1 316 ? -4.828 5.832 -26.621 1.00 42.89 ? 937 PRO A N 1 ATOM 2260 C CA . PRO A 1 316 ? -3.809 5.759 -27.705 1.00 48.74 ? 937 PRO A CA 1 ATOM 2261 C C . PRO A 1 316 ? -2.582 4.886 -27.362 1.00 52.65 ? 937 PRO A C 1 ATOM 2262 O O . PRO A 1 316 ? -2.135 4.149 -28.228 1.00 55.19 ? 937 PRO A O 1 ATOM 2263 C CB . PRO A 1 316 ? -3.414 7.237 -27.945 1.00 48.33 ? 937 PRO A CB 1 ATOM 2264 C CG . PRO A 1 316 ? -4.607 8.029 -27.487 1.00 47.43 ? 937 PRO A CG 1 ATOM 2265 C CD . PRO A 1 316 ? -5.210 7.233 -26.328 1.00 44.23 ? 937 PRO A CD 1 ATOM 2266 N N . ASN A 1 317 ? -2.089 4.929 -26.113 1.00 53.12 ? 938 ASN A N 1 ATOM 2267 C CA . ASN A 1 317 ? -1.049 3.962 -25.646 1.00 54.63 ? 938 ASN A CA 1 ATOM 2268 C C . ASN A 1 317 ? -1.520 2.518 -25.817 1.00 51.40 ? 938 ASN A C 1 ATOM 2269 O O . ASN A 1 317 ? -0.786 1.676 -26.336 1.00 57.37 ? 938 ASN A O 1 ATOM 2270 C CB . ASN A 1 317 ? -0.652 4.120 -24.143 1.00 54.20 ? 938 ASN A CB 1 ATOM 2271 C CG . ASN A 1 317 ? -0.010 5.469 -23.780 1.00 59.04 ? 938 ASN A CG 1 ATOM 2272 O OD1 . ASN A 1 317 ? -0.088 5.866 -22.612 1.00 60.32 ? 938 ASN A OD1 1 ATOM 2273 N ND2 . ASN A 1 317 ? 0.634 6.158 -24.722 1.00 57.28 ? 938 ASN A ND2 1 ATOM 2274 N N . LEU A 1 318 ? -2.749 2.249 -25.387 1.00 47.86 ? 939 LEU A N 1 ATOM 2275 C CA . LEU A 1 318 ? -3.281 0.885 -25.431 1.00 47.28 ? 939 LEU A CA 1 ATOM 2276 C C . LEU A 1 318 ? -3.438 0.355 -26.843 1.00 47.75 ? 939 LEU A C 1 ATOM 2277 O O . LEU A 1 318 ? -3.032 -0.780 -27.107 1.00 46.46 ? 939 LEU A O 1 ATOM 2278 C CB . LEU A 1 318 ? -4.593 0.779 -24.671 1.00 42.27 ? 939 LEU A CB 1 ATOM 2279 C CG . LEU A 1 318 ? -4.433 0.888 -23.158 1.00 41.07 ? 939 LEU A CG 1 ATOM 2280 C CD1 . LEU A 1 318 ? -5.779 1.189 -22.536 1.00 43.83 ? 939 LEU A CD1 1 ATOM 2281 C CD2 . LEU A 1 318 ? -3.865 -0.387 -22.548 1.00 41.96 ? 939 LEU A CD2 1 ATOM 2282 N N . THR A 1 319 ? -3.975 1.181 -27.746 1.00 50.18 ? 940 THR A N 1 ATOM 2283 C CA . THR A 1 319 ? -4.098 0.792 -29.154 1.00 53.77 ? 940 THR A CA 1 ATOM 2284 C C . THR A 1 319 ? -2.728 0.476 -29.769 1.00 55.27 ? 940 THR A C 1 ATOM 2285 O O . THR A 1 319 ? -2.616 -0.495 -30.523 1.00 56.92 ? 940 THR A O 1 ATOM 2286 C CB . THR A 1 319 ? -4.846 1.837 -30.002 1.00 58.26 ? 940 THR A CB 1 ATOM 2287 O OG1 . THR A 1 319 ? -4.213 3.106 -29.857 1.00 72.05 ? 940 THR A OG1 1 ATOM 2288 C CG2 . THR A 1 319 ? -6.304 1.945 -29.556 1.00 53.83 ? 940 THR A CG2 1 ATOM 2289 N N . SER A 1 320 ? -1.698 1.250 -29.405 1.00 57.34 ? 941 SER A N 1 ATOM 2290 C CA . SER A 1 320 ? -0.311 0.986 -29.859 1.00 70.52 ? 941 SER A CA 1 ATOM 2291 C C . SER A 1 320 ? 0.242 -0.353 -29.347 1.00 72.29 ? 941 SER A C 1 ATOM 2292 O O . SER A 1 320 ? 0.761 -1.146 -30.147 1.00 72.80 ? 941 SER A O 1 ATOM 2293 C CB . SER A 1 320 ? 0.645 2.117 -29.458 1.00 73.15 ? 941 SER A CB 1 ATOM 2294 O OG . SER A 1 320 ? 0.162 3.369 -29.900 1.00 76.80 ? 941 SER A OG 1 ATOM 2295 N N . PHE A 1 321 ? 0.119 -0.599 -28.035 1.00 62.40 ? 942 PHE A N 1 ATOM 2296 C CA . PHE A 1 321 ? 0.599 -1.856 -27.419 1.00 67.26 ? 942 PHE A CA 1 ATOM 2297 C C . PHE A 1 321 ? -0.102 -3.109 -27.990 1.00 67.65 ? 942 PHE A C 1 ATOM 2298 O O . PHE A 1 321 ? 0.568 -4.096 -28.314 1.00 66.49 ? 942 PHE A O 1 ATOM 2299 C CB . PHE A 1 321 ? 0.479 -1.819 -25.885 1.00 64.92 ? 942 PHE A CB 1 ATOM 2300 N N . LEU A 1 322 ? -1.425 -3.043 -28.155 1.00 59.97 ? 943 LEU A N 1 ATOM 2301 C CA . LEU A 1 322 ? -2.205 -4.179 -28.688 1.00 58.09 ? 943 LEU A CA 1 ATOM 2302 C C . LEU A 1 322 ? -2.026 -4.405 -30.166 1.00 62.10 ? 943 LEU A C 1 ATOM 2303 O O . LEU A 1 322 ? -1.961 -5.554 -30.603 1.00 60.28 ? 943 LEU A O 1 ATOM 2304 C CB . LEU A 1 322 ? -3.684 -4.026 -28.374 1.00 59.66 ? 943 LEU A CB 1 ATOM 2305 C CG . LEU A 1 322 ? -3.938 -4.178 -26.870 1.00 53.44 ? 943 LEU A CG 1 ATOM 2306 C CD1 . LEU A 1 322 ? -5.210 -3.488 -26.508 1.00 58.68 ? 943 LEU A CD1 1 ATOM 2307 C CD2 . LEU A 1 322 ? -3.998 -5.633 -26.446 1.00 58.04 ? 943 LEU A CD2 1 ATOM 2308 N N . GLY A 1 323 ? -1.953 -3.313 -30.926 1.00 59.25 ? 944 GLY A N 1 ATOM 2309 C CA . GLY A 1 323 ? -1.556 -3.350 -32.326 1.00 64.95 ? 944 GLY A CA 1 ATOM 2310 C C . GLY A 1 323 ? -0.203 -4.001 -32.567 1.00 71.79 ? 944 GLY A C 1 ATOM 2311 O O . GLY A 1 323 ? -0.054 -4.776 -33.516 1.00 76.92 ? 944 GLY A O 1 ATOM 2312 N N . CYS A 1 324 ? 0.768 -3.704 -31.701 1.00 72.33 ? 945 CYS A N 1 ATOM 2313 C CA . CYS A 1 324 ? 2.093 -4.348 -31.748 1.00 82.61 ? 945 CYS A CA 1 ATOM 2314 C C . CYS A 1 324 ? 2.056 -5.838 -31.370 1.00 80.97 ? 945 CYS A C 1 ATOM 2315 O O . CYS A 1 324 ? 2.669 -6.665 -32.059 1.00 78.48 ? 945 CYS A O 1 ATOM 2316 C CB . CYS A 1 324 ? 3.111 -3.578 -30.892 1.00 91.29 ? 945 CYS A CB 1 ATOM 2317 S SG . CYS A 1 324 ? 3.524 -1.964 -31.619 1.00 97.95 ? 945 CYS A SG 1 ATOM 2318 N N . GLN A 1 325 ? 1.328 -6.170 -30.301 1.00 74.05 ? 946 GLN A N 1 ATOM 2319 C CA . GLN A 1 325 ? 1.049 -7.574 -29.941 1.00 74.76 ? 946 GLN A CA 1 ATOM 2320 C C . GLN A 1 325 ? 0.350 -8.347 -31.073 1.00 71.60 ? 946 GLN A C 1 ATOM 2321 O O . GLN A 1 325 ? 0.747 -9.464 -31.395 1.00 73.17 ? 946 GLN A O 1 ATOM 2322 C CB . GLN A 1 325 ? 0.211 -7.665 -28.647 1.00 77.16 ? 946 GLN A CB 1 ATOM 2323 C CG . GLN A 1 325 ? 0.970 -7.328 -27.368 1.00 80.94 ? 946 GLN A CG 1 ATOM 2324 C CD . GLN A 1 325 ? 1.948 -8.423 -26.944 1.00 86.96 ? 946 GLN A CD 1 ATOM 2325 O OE1 . GLN A 1 325 ? 1.546 -9.568 -26.717 1.00 102.75 ? 946 GLN A OE1 1 ATOM 2326 N NE2 . GLN A 1 325 ? 3.231 -8.078 -26.819 1.00 80.65 ? 946 GLN A NE2 1 ATOM 2327 N N . LEU A 1 326 ? -0.673 -7.737 -31.665 1.00 72.75 ? 947 LEU A N 1 ATOM 2328 C CA . LEU A 1 326 ? -1.450 -8.335 -32.764 1.00 77.13 ? 947 LEU A CA 1 ATOM 2329 C C . LEU A 1 326 ? -0.611 -8.513 -34.017 1.00 85.49 ? 947 LEU A C 1 ATOM 2330 O O . LEU A 1 326 ? -0.648 -9.587 -34.632 1.00 93.25 ? 947 LEU A O 1 ATOM 2331 C CB . LEU A 1 326 ? -2.714 -7.498 -33.053 1.00 80.91 ? 947 LEU A CB 1 ATOM 2332 C CG . LEU A 1 326 ? -3.731 -7.924 -34.127 1.00 80.49 ? 947 LEU A CG 1 ATOM 2333 C CD1 . LEU A 1 326 ? -4.176 -9.374 -33.989 1.00 78.54 ? 947 LEU A CD1 1 ATOM 2334 C CD2 . LEU A 1 326 ? -4.941 -6.994 -34.081 1.00 77.56 ? 947 LEU A CD2 1 ATOM 2335 N N . ALA A 1 327 ? 0.179 -7.483 -34.352 1.00 94.61 ? 948 ALA A N 1 ATOM 2336 C CA . ALA A 1 327 ? 1.150 -7.523 -35.476 1.00 101.51 ? 948 ALA A CA 1 ATOM 2337 C C . ALA A 1 327 ? 2.175 -8.665 -35.402 1.00 102.75 ? 948 ALA A C 1 ATOM 2338 O O . ALA A 1 327 ? 2.758 -9.006 -36.427 1.00 116.28 ? 948 ALA A O 1 ATOM 2339 C CB . ALA A 1 327 ? 1.872 -6.184 -35.630 1.00 100.57 ? 948 ALA A CB 1 ATOM 2340 N N . ASP A 1 328 ? 2.396 -9.237 -34.212 1.00 102.39 ? 949 ASP A N 1 ATOM 2341 C CA . ASP A 1 328 ? 2.955 -10.596 -34.071 1.00 114.75 ? 949 ASP A CA 1 ATOM 2342 C C . ASP A 1 328 ? 1.859 -11.652 -34.321 1.00 119.11 ? 949 ASP A C 1 ATOM 2343 O O . ASP A 1 328 ? 1.328 -12.274 -33.385 1.00 103.84 ? 949 ASP A O 1 ATOM 2344 C CB . ASP A 1 328 ? 3.613 -10.808 -32.694 1.00 118.61 ? 949 ASP A CB 1 ATOM 2345 C CG . ASP A 1 328 ? 4.802 -9.888 -32.449 1.00 119.24 ? 949 ASP A CG 1 ATOM 2346 O OD1 . ASP A 1 328 ? 4.929 -8.841 -33.125 1.00 119.29 ? 949 ASP A OD1 1 ATOM 2347 O OD2 . ASP A 1 328 ? 5.611 -10.218 -31.555 1.00 109.84 ? 949 ASP A OD2 1 ATOM 2348 N N . ALA A 1 329 ? 1.531 -11.812 -35.605 1.00 126.73 ? 950 ALA A N 1 ATOM 2349 C CA . ALA A 1 329 ? 0.727 -12.904 -36.138 1.00 122.15 ? 950 ALA A CA 1 ATOM 2350 C C . ALA A 1 329 ? 1.687 -13.728 -37.024 1.00 122.60 ? 950 ALA A C 1 ATOM 2351 O O . ALA A 1 329 ? 1.427 -13.951 -38.205 1.00 102.30 ? 950 ALA A O 1 ATOM 2352 C CB . ALA A 1 329 ? -0.451 -12.345 -36.936 1.00 115.63 ? 950 ALA A CB 1 ATOM 2353 N N . GLU A 1 330 ? 2.795 -14.165 -36.407 1.00 127.63 ? 951 GLU A N 1 ATOM 2354 C CA . GLU A 1 330 ? 3.893 -14.909 -37.036 1.00 129.42 ? 951 GLU A CA 1 ATOM 2355 C C . GLU A 1 330 ? 4.548 -14.147 -38.186 1.00 134.04 ? 951 GLU A C 1 ATOM 2356 O O . GLU A 1 330 ? 4.869 -12.969 -38.036 1.00 131.44 ? 951 GLU A O 1 ATOM 2357 C CB . GLU A 1 330 ? 3.429 -16.302 -37.471 1.00 137.07 ? 951 GLU A CB 1 ATOM 2358 C CG . GLU A 1 330 ? 2.608 -17.022 -36.400 1.00 129.91 ? 951 GLU A CG 1 ATOM 2359 C CD . GLU A 1 330 ? 2.645 -18.539 -36.497 1.00 140.34 ? 951 GLU A CD 1 ATOM 2360 O OE1 . GLU A 1 330 ? 2.494 -19.190 -35.440 1.00 138.34 ? 951 GLU A OE1 1 ATOM 2361 O OE2 . GLU A 1 330 ? 2.822 -19.087 -37.610 1.00 146.19 ? 951 GLU A OE2 1 HETATM 2362 C C1 . C6F B 2 . ? -28.205 -1.584 -27.711 1.00 61.22 ? 1001 C6F A C1 1 HETATM 2363 C C2 . C6F B 2 . ? -28.087 -2.901 -26.918 1.00 61.39 ? 1001 C6F A C2 1 HETATM 2364 C C3 . C6F B 2 . ? -28.157 -4.152 -27.781 1.00 57.49 ? 1001 C6F A C3 1 HETATM 2365 C C5 . C6F B 2 . ? -27.981 -5.045 -29.968 1.00 55.41 ? 1001 C6F A C5 1 HETATM 2366 C C6 . C6F B 2 . ? -27.691 -4.664 -31.374 1.00 51.75 ? 1001 C6F A C6 1 HETATM 2367 N N10 . C6F B 2 . ? -28.282 -7.483 -30.381 1.00 56.35 ? 1001 C6F A N10 1 HETATM 2368 C C11 . C6F B 2 . ? -28.364 -8.895 -30.142 1.00 59.31 ? 1001 C6F A C11 1 HETATM 2369 C C12 . C6F B 2 . ? -28.178 -9.746 -31.259 1.00 59.60 ? 1001 C6F A C12 1 HETATM 2370 C C16 . C6F B 2 . ? -29.619 -13.936 -30.527 1.00 95.25 ? 1001 C6F A C16 1 HETATM 2371 C C17 . C6F B 2 . ? -28.980 -15.118 -31.291 1.00 110.12 ? 1001 C6F A C17 1 HETATM 2372 C C18 . C6F B 2 . ? -28.108 -15.943 -30.323 1.00 127.15 ? 1001 C6F A C18 1 HETATM 2373 C C19 . C6F B 2 . ? -26.958 -15.032 -29.845 1.00 110.42 ? 1001 C6F A C19 1 HETATM 2374 C C23 . C6F B 2 . ? -26.393 -18.528 -32.638 1.00 145.87 ? 1001 C6F A C23 1 HETATM 2375 C C27 . C6F B 2 . ? -27.350 -18.279 -29.908 1.00 133.41 ? 1001 C6F A C27 1 HETATM 2376 O O29 . C6F B 2 . ? -28.973 -11.464 -27.565 1.00 78.74 ? 1001 C6F A O29 1 HETATM 2377 C C30 . C6F B 2 . ? -30.314 -11.879 -27.299 1.00 82.68 ? 1001 C6F A C30 1 HETATM 2378 C C31 . C6F B 2 . ? -28.645 -9.529 -28.910 1.00 65.98 ? 1001 C6F A C31 1 HETATM 2379 C C33 . C6F B 2 . ? -28.417 -5.457 -27.275 1.00 63.54 ? 1001 C6F A C33 1 HETATM 2380 C C35 . C6F B 2 . ? -28.681 -7.046 -25.327 1.00 73.92 ? 1001 C6F A C35 1 HETATM 2381 C C36 . C6F B 2 . ? -29.231 -6.995 -23.898 1.00 83.88 ? 1001 C6F A C36 1 HETATM 2382 C C37 . C6F B 2 . ? -29.376 -8.440 -23.403 1.00 87.04 ? 1001 C6F A C37 1 HETATM 2383 C C39 . C6F B 2 . ? -27.249 -8.989 -24.547 1.00 76.77 ? 1001 C6F A C39 1 HETATM 2384 C C40 . C6F B 2 . ? -27.262 -7.622 -25.257 1.00 81.97 ? 1001 C6F A C40 1 HETATM 2385 N N4 . C6F B 2 . ? -27.949 -4.030 -29.085 1.00 55.35 ? 1001 C6F A N4 1 HETATM 2386 O O7 . C6F B 2 . ? -27.632 -5.511 -32.244 1.00 41.77 ? 1001 C6F A O7 1 HETATM 2387 N N8 . C6F B 2 . ? -27.437 -3.380 -31.714 1.00 45.53 ? 1001 C6F A N8 1 HETATM 2388 C C9 . C6F B 2 . ? -28.228 -6.382 -29.492 1.00 50.73 ? 1001 C6F A C9 1 HETATM 2389 C C13 . C6F B 2 . ? -28.253 -11.133 -31.156 1.00 64.26 ? 1001 C6F A C13 1 HETATM 2390 C C14 . C6F B 2 . ? -28.519 -11.742 -29.927 1.00 75.34 ? 1001 C6F A C14 1 HETATM 2391 N N15 . C6F B 2 . ? -28.569 -13.149 -29.837 1.00 85.46 ? 1001 C6F A N15 1 HETATM 2392 C C20 . C6F B 2 . ? -27.548 -13.867 -29.035 1.00 83.15 ? 1001 C6F A C20 1 HETATM 2393 N N21 . C6F B 2 . ? -27.641 -17.230 -30.922 1.00 138.39 ? 1001 C6F A N21 1 HETATM 2394 C C22 . C6F B 2 . ? -26.599 -17.151 -31.983 1.00 140.85 ? 1001 C6F A C22 1 HETATM 2395 N N24 . C6F B 2 . ? -26.034 -19.527 -31.607 1.00 140.07 ? 1001 C6F A N24 1 HETATM 2396 C C25 . C6F B 2 . ? -25.576 -20.820 -32.163 1.00 120.45 ? 1001 C6F A C25 1 HETATM 2397 C C26 . C6F B 2 . ? -27.079 -19.647 -30.565 1.00 132.35 ? 1001 C6F A C26 1 HETATM 2398 C C28 . C6F B 2 . ? -28.714 -10.925 -28.795 1.00 72.93 ? 1001 C6F A C28 1 HETATM 2399 N N32 . C6F B 2 . ? -28.449 -6.486 -28.164 1.00 59.65 ? 1001 C6F A N32 1 HETATM 2400 N N34 . C6F B 2 . ? -28.655 -5.694 -25.911 1.00 72.23 ? 1001 C6F A N34 1 HETATM 2401 O O38 . C6F B 2 . ? -28.091 -9.076 -23.385 1.00 72.69 ? 1001 C6F A O38 1 HETATM 2402 S S . SO4 C 3 . ? -42.134 9.664 -37.425 1.00 63.79 ? 1002 SO4 A S 1 HETATM 2403 O O1 . SO4 C 3 . ? -43.412 9.566 -38.171 1.00 72.03 ? 1002 SO4 A O1 1 HETATM 2404 O O2 . SO4 C 3 . ? -41.319 10.734 -38.051 1.00 62.33 ? 1002 SO4 A O2 1 HETATM 2405 O O3 . SO4 C 3 . ? -42.390 9.887 -35.972 1.00 56.43 ? 1002 SO4 A O3 1 HETATM 2406 O O4 . SO4 C 3 . ? -41.386 8.406 -37.582 1.00 52.59 ? 1002 SO4 A O4 1 HETATM 2407 S S . SO4 D 3 . ? -22.213 -13.760 -14.328 1.00 67.82 ? 1003 SO4 A S 1 HETATM 2408 O O1 . SO4 D 3 . ? -22.938 -14.667 -15.251 1.00 74.49 ? 1003 SO4 A O1 1 HETATM 2409 O O2 . SO4 D 3 . ? -20.886 -13.412 -14.871 1.00 67.15 ? 1003 SO4 A O2 1 HETATM 2410 O O3 . SO4 D 3 . ? -23.002 -12.528 -14.140 1.00 74.96 ? 1003 SO4 A O3 1 HETATM 2411 O O4 . SO4 D 3 . ? -22.022 -14.426 -13.018 1.00 99.27 ? 1003 SO4 A O4 1 HETATM 2412 S S . SO4 E 3 . ? -19.105 -13.831 -40.435 1.00 78.14 ? 1004 SO4 A S 1 HETATM 2413 O O1 . SO4 E 3 . ? -19.013 -12.956 -41.631 1.00 68.93 ? 1004 SO4 A O1 1 HETATM 2414 O O2 . SO4 E 3 . ? -18.893 -15.256 -40.799 1.00 78.30 ? 1004 SO4 A O2 1 HETATM 2415 O O3 . SO4 E 3 . ? -18.083 -13.418 -39.448 1.00 74.10 ? 1004 SO4 A O3 1 HETATM 2416 O O4 . SO4 E 3 . ? -20.449 -13.676 -39.854 1.00 58.13 ? 1004 SO4 A O4 1 HETATM 2417 C C1 . GOL F 4 . ? -28.329 9.430 -42.038 1.00 87.72 ? 1005 GOL A C1 1 HETATM 2418 O O1 . GOL F 4 . ? -29.706 9.641 -42.374 1.00 77.01 ? 1005 GOL A O1 1 HETATM 2419 C C2 . GOL F 4 . ? -27.533 10.730 -42.101 1.00 84.68 ? 1005 GOL A C2 1 HETATM 2420 O O2 . GOL F 4 . ? -28.210 11.748 -41.363 1.00 64.96 ? 1005 GOL A O2 1 HETATM 2421 C C3 . GOL F 4 . ? -26.128 10.511 -41.531 1.00 89.99 ? 1005 GOL A C3 1 HETATM 2422 O O3 . GOL F 4 . ? -25.404 11.740 -41.333 1.00 101.71 ? 1005 GOL A O3 1 HETATM 2423 C C1 . GOL G 4 . ? 0.019 3.069 -7.424 1.00 82.00 ? 1006 GOL A C1 1 HETATM 2424 O O1 . GOL G 4 . ? -0.798 3.866 -8.298 1.00 59.44 ? 1006 GOL A O1 1 HETATM 2425 C C2 . GOL G 4 . ? 0.107 1.615 -7.888 1.00 78.57 ? 1006 GOL A C2 1 HETATM 2426 O O2 . GOL G 4 . ? -1.209 1.064 -7.964 1.00 57.61 ? 1006 GOL A O2 1 HETATM 2427 C C3 . GOL G 4 . ? 0.805 1.475 -9.247 1.00 81.76 ? 1006 GOL A C3 1 HETATM 2428 O O3 . GOL G 4 . ? 0.566 0.172 -9.806 1.00 85.04 ? 1006 GOL A O3 1 HETATM 2429 S S . CXS H 5 . ? -18.009 -17.901 -14.720 1.00 48.63 ? 1007 CXS A S 1 HETATM 2430 O O1 . CXS H 5 . ? -17.392 -19.136 -14.287 1.00 63.85 ? 1007 CXS A O1 1 HETATM 2431 O O2 . CXS H 5 . ? -17.779 -17.762 -16.313 1.00 42.92 ? 1007 CXS A O2 1 HETATM 2432 O O3 . CXS H 5 . ? -17.415 -16.780 -14.043 1.00 58.44 ? 1007 CXS A O3 1 HETATM 2433 C C1 . CXS H 5 . ? -19.653 -17.918 -14.449 1.00 57.14 ? 1007 CXS A C1 1 HETATM 2434 C C2 . CXS H 5 . ? -20.064 -17.649 -12.992 1.00 60.75 ? 1007 CXS A C2 1 HETATM 2435 C C3 . CXS H 5 . ? -20.757 -18.817 -12.302 1.00 71.57 ? 1007 CXS A C3 1 HETATM 2436 N N . CXS H 5 . ? -19.815 -19.658 -11.595 1.00 85.19 ? 1007 CXS A N 1 HETATM 2437 C C4 . CXS H 5 . ? -20.049 -20.068 -10.223 1.00 84.20 ? 1007 CXS A C4 1 HETATM 2438 C C5 . CXS H 5 . ? -21.317 -20.919 -10.104 1.00 94.50 ? 1007 CXS A C5 1 HETATM 2439 C C6 . CXS H 5 . ? -21.577 -21.322 -8.652 1.00 104.33 ? 1007 CXS A C6 1 HETATM 2440 C C7 . CXS H 5 . ? -20.364 -21.980 -7.985 1.00 93.24 ? 1007 CXS A C7 1 HETATM 2441 C C8 . CXS H 5 . ? -19.052 -21.228 -8.221 1.00 89.68 ? 1007 CXS A C8 1 HETATM 2442 C C9 . CXS H 5 . ? -18.853 -20.862 -9.694 1.00 76.76 ? 1007 CXS A C9 1 HETATM 2443 C C1 . GOL I 4 . ? -12.514 -11.397 0.705 0.50 41.67 ? 1008 GOL A C1 1 HETATM 2444 O O1 . GOL I 4 . ? -13.812 -10.972 1.136 0.50 49.15 ? 1008 GOL A O1 1 HETATM 2445 C C2 . GOL I 4 . ? -12.669 -12.648 -0.147 0.50 38.17 ? 1008 GOL A C2 1 HETATM 2446 O O2 . GOL I 4 . ? -13.410 -13.646 0.555 0.50 41.82 ? 1008 GOL A O2 1 HETATM 2447 C C3 . GOL I 4 . ? -11.322 -13.242 -0.500 0.50 34.16 ? 1008 GOL A C3 1 HETATM 2448 O O3 . GOL I 4 . ? -11.552 -14.632 -0.732 0.50 31.21 ? 1008 GOL A O3 1 HETATM 2449 O O . HOH J 6 . ? -9.857 9.351 -12.998 1.00 36.65 ? 1101 HOH A O 1 HETATM 2450 O O . HOH J 6 . ? -15.727 -13.887 1.616 1.00 51.59 ? 1102 HOH A O 1 HETATM 2451 O O . HOH J 6 . ? -15.505 -9.404 -0.643 1.00 35.04 ? 1103 HOH A O 1 HETATM 2452 O O . HOH J 6 . ? -23.364 -13.138 -27.813 1.00 38.15 ? 1104 HOH A O 1 HETATM 2453 O O . HOH J 6 . ? -28.282 -6.603 -8.275 1.00 39.82 ? 1105 HOH A O 1 HETATM 2454 O O . HOH J 6 . ? -11.060 -16.366 -2.594 1.00 38.39 ? 1106 HOH A O 1 HETATM 2455 O O . HOH J 6 . ? -20.510 -11.246 2.140 1.00 38.85 ? 1107 HOH A O 1 HETATM 2456 O O . HOH J 6 . ? -8.716 9.971 -9.211 1.00 48.59 ? 1108 HOH A O 1 HETATM 2457 O O . HOH J 6 . ? -19.232 -8.001 -18.630 1.00 31.01 ? 1109 HOH A O 1 HETATM 2458 O O . HOH J 6 . ? -20.892 6.504 -8.737 1.00 56.81 ? 1110 HOH A O 1 HETATM 2459 O O . HOH J 6 . ? -30.551 19.346 -40.921 1.00 36.57 ? 1111 HOH A O 1 HETATM 2460 O O . HOH J 6 . ? -23.829 -15.168 -19.748 1.00 46.13 ? 1112 HOH A O 1 HETATM 2461 O O . HOH J 6 . ? -0.857 -2.421 -1.260 1.00 61.94 ? 1113 HOH A O 1 HETATM 2462 O O . HOH J 6 . ? -27.268 19.222 -40.268 1.00 52.58 ? 1114 HOH A O 1 HETATM 2463 O O . HOH J 6 . ? -13.236 -6.659 7.231 1.00 44.25 ? 1115 HOH A O 1 HETATM 2464 O O . HOH J 6 . ? -21.965 -11.788 -10.807 1.00 51.96 ? 1116 HOH A O 1 HETATM 2465 O O . HOH J 6 . ? -13.670 -2.204 -8.543 1.00 29.31 ? 1117 HOH A O 1 HETATM 2466 O O . HOH J 6 . ? -18.802 -1.650 -16.084 1.00 33.23 ? 1118 HOH A O 1 HETATM 2467 O O . HOH J 6 . ? -7.743 6.298 -7.306 1.00 61.98 ? 1119 HOH A O 1 HETATM 2468 O O . HOH J 6 . ? -19.944 -5.911 -9.903 1.00 30.51 ? 1120 HOH A O 1 HETATM 2469 O O . HOH J 6 . ? -17.334 -11.491 -16.913 1.00 34.36 ? 1121 HOH A O 1 HETATM 2470 O O . HOH J 6 . ? -11.866 -17.748 -5.874 1.00 38.11 ? 1122 HOH A O 1 HETATM 2471 O O . HOH J 6 . ? -12.218 -3.478 -10.381 1.00 27.64 ? 1123 HOH A O 1 HETATM 2472 O O . HOH J 6 . ? -15.184 3.512 -13.174 1.00 39.53 ? 1124 HOH A O 1 HETATM 2473 O O . HOH J 6 . ? -14.822 13.158 -16.820 1.00 46.21 ? 1125 HOH A O 1 HETATM 2474 O O . HOH J 6 . ? -21.662 18.605 -31.921 1.00 61.79 ? 1126 HOH A O 1 HETATM 2475 O O . HOH J 6 . ? -35.499 19.735 -30.829 1.00 43.84 ? 1127 HOH A O 1 HETATM 2476 O O . HOH J 6 . ? -3.631 8.244 -17.362 1.00 51.76 ? 1128 HOH A O 1 HETATM 2477 O O . HOH J 6 . ? -35.823 19.955 -33.650 1.00 38.47 ? 1129 HOH A O 1 HETATM 2478 O O . HOH J 6 . ? -29.489 16.385 -33.032 1.00 40.09 ? 1130 HOH A O 1 HETATM 2479 O O . HOH J 6 . ? -31.639 15.139 -20.305 1.00 53.97 ? 1131 HOH A O 1 HETATM 2480 O O . HOH J 6 . ? -4.759 -0.878 -7.667 1.00 39.63 ? 1132 HOH A O 1 HETATM 2481 O O . HOH J 6 . ? -35.588 23.881 -26.463 1.00 41.13 ? 1133 HOH A O 1 HETATM 2482 O O . HOH J 6 . ? -28.447 6.359 -41.512 1.00 55.07 ? 1134 HOH A O 1 HETATM 2483 O O . HOH J 6 . ? -7.275 0.139 -37.547 1.00 69.85 ? 1135 HOH A O 1 HETATM 2484 O O . HOH J 6 . ? -23.891 13.539 -22.056 1.00 50.92 ? 1136 HOH A O 1 HETATM 2485 O O . HOH J 6 . ? -8.189 9.720 -28.161 1.00 51.43 ? 1137 HOH A O 1 HETATM 2486 O O . HOH J 6 . ? -10.452 -14.601 -7.086 1.00 34.49 ? 1138 HOH A O 1 HETATM 2487 O O . HOH J 6 . ? -19.494 -11.078 -15.407 1.00 36.25 ? 1139 HOH A O 1 HETATM 2488 O O . HOH J 6 . ? -31.344 21.900 -18.542 1.00 54.73 ? 1140 HOH A O 1 HETATM 2489 O O . HOH J 6 . ? -9.806 5.311 -32.536 1.00 49.55 ? 1141 HOH A O 1 HETATM 2490 O O . HOH J 6 . ? -9.316 7.164 -5.038 1.00 56.21 ? 1142 HOH A O 1 HETATM 2491 O O . HOH J 6 . ? -6.853 -2.064 -6.278 1.00 31.89 ? 1143 HOH A O 1 HETATM 2492 O O . HOH J 6 . ? -0.687 -13.535 -12.014 1.00 46.43 ? 1144 HOH A O 1 HETATM 2493 O O . HOH J 6 . ? -33.648 16.204 -24.589 1.00 36.57 ? 1145 HOH A O 1 HETATM 2494 O O . HOH J 6 . ? -10.159 17.377 -15.358 1.00 58.65 ? 1146 HOH A O 1 HETATM 2495 O O . HOH J 6 . ? -16.577 2.036 -16.922 1.00 40.78 ? 1147 HOH A O 1 HETATM 2496 O O . HOH J 6 . ? -35.993 13.301 -41.990 1.00 36.54 ? 1148 HOH A O 1 HETATM 2497 O O . HOH J 6 . ? -13.380 12.039 -21.858 1.00 48.86 ? 1149 HOH A O 1 HETATM 2498 O O . HOH J 6 . ? -19.914 5.368 -6.462 1.00 53.22 ? 1150 HOH A O 1 HETATM 2499 O O . HOH J 6 . ? -19.837 -11.166 -8.485 1.00 43.56 ? 1151 HOH A O 1 HETATM 2500 O O . HOH J 6 . ? -23.914 7.611 -36.567 1.00 52.65 ? 1152 HOH A O 1 HETATM 2501 O O . HOH J 6 . ? -38.533 15.558 -32.338 1.00 46.15 ? 1153 HOH A O 1 HETATM 2502 O O . HOH J 6 . ? -27.225 -2.876 -39.427 1.00 51.57 ? 1154 HOH A O 1 HETATM 2503 O O . HOH J 6 . ? -34.501 21.506 -26.658 1.00 47.21 ? 1155 HOH A O 1 HETATM 2504 O O . HOH J 6 . ? -25.075 1.755 -14.341 1.00 60.98 ? 1156 HOH A O 1 HETATM 2505 O O . HOH J 6 . ? -25.966 15.354 -37.094 1.00 58.42 ? 1157 HOH A O 1 HETATM 2506 O O . HOH J 6 . ? -28.423 18.351 -30.867 1.00 49.93 ? 1158 HOH A O 1 HETATM 2507 O O . HOH J 6 . ? -24.308 -10.380 -21.101 1.00 55.22 ? 1159 HOH A O 1 HETATM 2508 O O . HOH J 6 . ? -21.003 -9.134 -16.707 1.00 31.57 ? 1160 HOH A O 1 HETATM 2509 O O . HOH J 6 . ? -26.720 11.778 -22.642 1.00 71.24 ? 1161 HOH A O 1 HETATM 2510 O O . HOH J 6 . ? 2.399 -3.112 -15.174 1.00 62.52 ? 1162 HOH A O 1 HETATM 2511 O O . HOH J 6 . ? -7.514 -13.431 -10.343 1.00 44.06 ? 1163 HOH A O 1 HETATM 2512 O O . HOH J 6 . ? -0.538 -11.752 -9.928 1.00 57.49 ? 1164 HOH A O 1 HETATM 2513 O O . HOH J 6 . ? -19.877 2.827 -4.345 1.00 51.24 ? 1165 HOH A O 1 HETATM 2514 O O . HOH J 6 . ? -12.964 0.821 2.231 1.00 62.06 ? 1166 HOH A O 1 HETATM 2515 O O . HOH J 6 . ? -31.800 12.713 -44.214 1.00 48.41 ? 1167 HOH A O 1 HETATM 2516 O O . HOH J 6 . ? -22.584 3.667 -13.878 1.00 75.19 ? 1168 HOH A O 1 HETATM 2517 O O . HOH J 6 . ? -7.895 -6.346 -10.791 1.00 35.78 ? 1169 HOH A O 1 HETATM 2518 O O . HOH J 6 . ? -12.480 12.360 -18.816 1.00 48.60 ? 1170 HOH A O 1 HETATM 2519 O O . HOH J 6 . ? -14.389 7.520 -37.270 1.00 62.19 ? 1171 HOH A O 1 HETATM 2520 O O . HOH J 6 . ? 0.728 6.935 -17.976 1.00 64.35 ? 1172 HOH A O 1 HETATM 2521 O O . HOH J 6 . ? -13.663 3.789 -37.820 1.00 55.34 ? 1173 HOH A O 1 HETATM 2522 O O . HOH J 6 . ? -2.605 -7.414 -5.580 1.00 42.93 ? 1174 HOH A O 1 HETATM 2523 O O . HOH J 6 . ? -36.241 22.297 -21.751 1.00 59.63 ? 1175 HOH A O 1 HETATM 2524 O O . HOH J 6 . ? -23.872 7.491 -33.710 1.00 49.88 ? 1176 HOH A O 1 HETATM 2525 O O . HOH J 6 . ? -36.163 17.967 -27.468 1.00 67.11 ? 1177 HOH A O 1 HETATM 2526 O O . HOH J 6 . ? -6.530 8.542 -8.761 1.00 47.28 ? 1178 HOH A O 1 HETATM 2527 O O . HOH J 6 . ? 3.798 -15.426 -21.814 1.00 67.72 ? 1179 HOH A O 1 HETATM 2528 O O . HOH J 6 . ? -1.884 -9.798 -8.630 1.00 59.29 ? 1180 HOH A O 1 HETATM 2529 O O . HOH J 6 . ? -6.444 14.243 -9.793 1.00 58.72 ? 1181 HOH A O 1 HETATM 2530 O O . HOH J 6 . ? -9.883 14.624 -7.957 1.00 64.71 ? 1182 HOH A O 1 HETATM 2531 O O . HOH J 6 . ? -3.506 1.730 -2.440 1.00 60.11 ? 1183 HOH A O 1 HETATM 2532 O O . HOH J 6 . ? -11.297 13.129 -22.814 1.00 54.72 ? 1184 HOH A O 1 HETATM 2533 O O . HOH J 6 . ? -24.851 2.719 -28.478 1.00 61.63 ? 1185 HOH A O 1 HETATM 2534 O O . HOH J 6 . ? -17.544 15.942 -10.540 1.00 56.31 ? 1186 HOH A O 1 HETATM 2535 O O . HOH J 6 . ? -7.677 24.018 -11.787 1.00 62.26 ? 1187 HOH A O 1 HETATM 2536 O O . HOH J 6 . ? -18.378 3.303 -39.003 1.00 59.72 ? 1188 HOH A O 1 HETATM 2537 O O . HOH J 6 . ? -27.148 -9.063 -40.081 1.00 66.60 ? 1189 HOH A O 1 HETATM 2538 O O . HOH J 6 . ? -23.581 -9.720 -17.314 1.00 56.88 ? 1190 HOH A O 1 HETATM 2539 O O . HOH J 6 . ? -17.569 0.611 -14.690 1.00 46.81 ? 1191 HOH A O 1 HETATM 2540 O O . HOH J 6 . ? -16.008 -16.048 0.047 0.50 55.36 ? 1192 HOH A O 1 HETATM 2541 O O . HOH J 6 . ? -23.350 6.060 -12.918 1.00 66.67 ? 1193 HOH A O 1 HETATM 2542 O O . HOH J 6 . ? -20.125 16.377 -11.216 1.00 64.83 ? 1194 HOH A O 1 HETATM 2543 O O . HOH J 6 . ? -9.226 -12.431 -8.224 1.00 39.36 ? 1195 HOH A O 1 HETATM 2544 O O . HOH J 6 . ? -25.663 -1.157 -40.428 1.00 55.42 ? 1196 HOH A O 1 HETATM 2545 O O . HOH J 6 . ? -37.268 20.605 -26.565 1.00 55.18 ? 1197 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 . ARG A 1 ? 1.3724 2.2053 1.1856 -0.3004 -0.0225 0.5546 571 ARG A N 2 C CA . ARG A 1 ? 1.3026 2.0399 1.1126 -0.2628 -0.0123 0.4765 571 ARG A CA 3 C C . ARG A 1 ? 1.3533 1.8977 1.1631 -0.2821 -0.0404 0.4468 571 ARG A C 4 O O . ARG A 1 ? 1.3012 1.7694 1.0914 -0.2804 -0.0530 0.4383 571 ARG A O 5 C CB . ARG A 1 ? 1.2507 2.0188 1.0269 -0.1839 0.0168 0.4049 571 ARG A CB 6 N N . TYR A 2 ? 1.3009 1.7758 1.1301 -0.2954 -0.0504 0.4300 572 TYR A N 7 C CA . TYR A 2 ? 1.2552 1.5640 1.0827 -0.3066 -0.0787 0.4010 572 TYR A CA 8 C C . TYR A 2 ? 1.1757 1.4098 0.9782 -0.2525 -0.0612 0.3258 572 TYR A C 9 O O . TYR A 2 ? 1.0518 1.3324 0.8479 -0.2102 -0.0330 0.2860 572 TYR A O 10 C CB . TYR A 2 ? 1.3251 1.5916 1.1791 -0.3326 -0.0963 0.4052 572 TYR A CB 11 C CG . TYR A 2 ? 1.3741 1.4831 1.2205 -0.3314 -0.1257 0.3687 572 TYR A CG 12 C CD1 . TYR A 2 ? 1.4909 1.5096 1.3327 -0.3643 -0.1733 0.3964 572 TYR A CD1 13 C CD2 . TYR A 2 ? 1.3947 1.4494 1.2351 -0.2921 -0.1091 0.3059 572 TYR A CD2 14 C CE1 . TYR A 2 ? 1.4982 1.3835 1.3265 -0.3509 -0.2027 0.3570 572 TYR A CE1 15 C CE2 . TYR A 2 ? 1.3620 1.2957 1.1929 -0.2837 -0.1339 0.2735 572 TYR A CE2 16 C CZ . TYR A 2 ? 1.4808 1.3328 1.3037 -0.3089 -0.1800 0.2959 572 TYR A CZ 17 O OH . TYR A 2 ? 1.3501 1.0930 1.1582 -0.2905 -0.2078 0.2597 572 TYR A OH 18 N N . GLU A 3 ? 1.1237 1.2433 0.9128 -0.2546 -0.0835 0.3093 573 GLU A N 19 C CA . GLU A 3 ? 1.1498 1.1938 0.9230 -0.2135 -0.0740 0.2471 573 GLU A CA 20 C C . GLU A 3 ? 1.0519 0.9740 0.8204 -0.2236 -0.1069 0.2358 573 GLU A C 21 O O . GLU A 3 ? 1.0569 0.9394 0.8192 -0.2504 -0.1385 0.2678 573 GLU A O 22 C CB . GLU A 3 ? 1.2032 1.2779 0.9531 -0.1818 -0.0577 0.2300 573 GLU A CB 23 C CG . GLU A 3 ? 1.2697 1.3108 1.0110 -0.1375 -0.0424 0.1703 573 GLU A CG 24 C CD . GLU A 3 ? 1.3210 1.3883 1.0398 -0.1051 -0.0331 0.1515 573 GLU A CD 25 O OE1 . GLU A 3 ? 1.2802 1.3712 0.9855 -0.1145 -0.0382 0.1792 573 GLU A OE1 26 O OE2 . GLU A 3 ? 1.3730 1.4325 1.0874 -0.0703 -0.0253 0.1093 573 GLU A OE2 27 N N . SER A 4 ? 1.0031 0.8718 0.7730 -0.1993 -0.1025 0.1913 574 SER A N 28 C CA . SER A 4 ? 0.9661 0.7375 0.7245 -0.1889 -0.1277 0.1671 574 SER A CA 29 C C . SER A 4 ? 0.9225 0.6689 0.6587 -0.1704 -0.1295 0.1545 574 SER A C 30 O O . SER A 4 ? 0.8871 0.6793 0.6185 -0.1520 -0.1037 0.1428 574 SER A O 31 C CB . SER A 4 ? 0.9233 0.6763 0.6894 -0.1626 -0.1147 0.1260 574 SER A CB 32 O OG . SER A 4 ? 1.0446 0.8420 0.8133 -0.1381 -0.0829 0.1021 574 SER A OG 33 N N . GLN A 5 ? 0.8898 0.5620 0.6107 -0.1731 -0.1649 0.1558 575 GLN A N 34 C CA . GLN A 5 ? 0.9823 0.6232 0.6814 -0.1518 -0.1705 0.1393 575 GLN A CA 35 C C . GLN A 5 ? 0.8395 0.4614 0.5348 -0.1126 -0.1596 0.0930 575 GLN A C 36 O O . GLN A 5 ? 0.8757 0.4973 0.5596 -0.0935 -0.1536 0.0787 575 GLN A O 37 C CB . GLN A 5 ? 1.0970 0.6671 0.7782 -0.1683 -0.2195 0.1612 575 GLN A CB 38 C CG . GLN A 5 ? 1.2405 0.8352 0.9285 -0.2152 -0.2370 0.2200 575 GLN A CG 39 C CD . GLN A 5 ? 1.3539 1.0366 1.0415 -0.2194 -0.2029 0.2416 575 GLN A CD 40 O OE1 . GLN A 5 ? 1.3071 0.9926 0.9785 -0.1921 -0.1874 0.2179 575 GLN A OE1 41 N NE2 . GLN A 5 ? 1.4434 1.2063 1.1482 -0.2509 -0.1931 0.2869 575 GLN A NE2 42 N N . LEU A 6 ? 0.8011 0.4145 0.5070 -0.1022 -0.1588 0.0742 576 LEU A N 43 C CA . LEU A 6 ? 0.8155 0.4408 0.5259 -0.0707 -0.1429 0.0409 576 LEU A CA 44 C C . LEU A 6 ? 0.7381 0.4216 0.4684 -0.0731 -0.1080 0.0390 576 LEU A C 45 O O . LEU A 6 ? 0.7925 0.5011 0.5357 -0.0887 -0.0981 0.0502 576 LEU A O 46 C CB . LEU A 6 ? 0.8973 0.4981 0.6089 -0.0567 -0.1588 0.0247 576 LEU A CB 47 C CG . LEU A 6 ? 0.9670 0.5942 0.6829 -0.0235 -0.1465 -0.0024 576 LEU A CG 48 C CD1 . LEU A 6 ? 0.9999 0.6207 0.6979 0.0021 -0.1567 -0.0152 576 LEU A CD1 49 C CD2 . LEU A 6 ? 1.0689 0.6803 0.7817 -0.0067 -0.1639 -0.0168 576 LEU A CD2 50 N N . GLN A 7 ? 0.6815 0.3840 0.4127 -0.0571 -0.0953 0.0257 577 GLN A N 51 C CA . GLN A 7 ? 0.6947 0.4375 0.4398 -0.0545 -0.0749 0.0199 577 GLN A CA 52 C C . GLN A 7 ? 0.6926 0.4424 0.4508 -0.0389 -0.0729 0.0038 577 GLN A C 53 O O . GLN A 7 ? 0.6715 0.4120 0.4231 -0.0274 -0.0813 -0.0009 577 GLN A O 54 C CB . GLN A 7 ? 0.7351 0.4944 0.4667 -0.0538 -0.0715 0.0261 577 GLN A CB 55 C CG . GLN A 7 ? 0.8928 0.6787 0.6170 -0.0708 -0.0686 0.0505 577 GLN A CG 56 C CD . GLN A 7 ? 0.9569 0.7862 0.6950 -0.0731 -0.0546 0.0510 577 GLN A CD 57 O OE1 . GLN A 7 ? 0.9379 0.7815 0.6832 -0.0557 -0.0473 0.0296 577 GLN A OE1 58 N NE2 . GLN A 7 ? 0.9677 0.8157 0.7105 -0.0954 -0.0560 0.0766 577 GLN A NE2 59 N N . MET A 8 ? 0.6656 0.4365 0.4434 -0.0394 -0.0648 -0.0012 578 MET A N 60 C CA . MET A 8 ? 0.6558 0.4404 0.4518 -0.0332 -0.0683 -0.0062 578 MET A CA 61 C C . MET A 8 ? 0.6104 0.3939 0.4029 -0.0292 -0.0746 -0.0113 578 MET A C 62 O O . MET A 8 ? 0.6117 0.3980 0.3923 -0.0264 -0.0718 -0.0156 578 MET A O 63 C CB . MET A 8 ? 0.6924 0.4920 0.5107 -0.0382 -0.0655 -0.0056 578 MET A CB 64 C CG . MET A 8 ? 0.8714 0.6928 0.7139 -0.0393 -0.0740 0.0015 578 MET A CG 65 S SD . MET A 8 ? 0.9177 0.7627 0.7861 -0.0472 -0.0723 0.0103 578 MET A SD 66 C CE . MET A 8 ? 0.7560 0.6063 0.6094 -0.0359 -0.0609 0.0058 578 MET A CE 67 N N . VAL A 9 ? 0.5876 0.3743 0.3896 -0.0260 -0.0853 -0.0105 579 VAL A N 68 C CA . VAL A 9 ? 0.6443 0.4230 0.4444 -0.0209 -0.0994 -0.0169 579 VAL A CA 69 C C . VAL A 9 ? 0.6519 0.4369 0.4826 -0.0292 -0.1193 -0.0101 579 VAL A C 70 O O . VAL A 9 ? 0.6003 0.4111 0.4530 -0.0385 -0.1176 0.0053 579 VAL A O 71 C CB . VAL A 9 ? 0.6462 0.4177 0.4267 -0.0131 -0.1009 -0.0179 579 VAL A CB 72 C CG1 . VAL A 9 ? 0.6980 0.4616 0.4517 -0.0123 -0.0884 -0.0155 579 VAL A CG1 73 C CG2 . VAL A 9 ? 0.6345 0.4206 0.4263 -0.0126 -0.1047 -0.0098 579 VAL A CG2 74 N N . GLN A 10 ? 0.6892 0.4540 0.5205 -0.0247 -0.1425 -0.0195 580 GLN A N 75 C CA . GLN A 10 ? 0.7135 0.4730 0.5750 -0.0378 -0.1748 -0.0078 580 GLN A CA 76 C C . GLN A 10 ? 0.7014 0.4443 0.5556 -0.0306 -0.1959 -0.0141 580 GLN A C 77 O O . GLN A 10 ? 0.7044 0.4236 0.5311 -0.0096 -0.2027 -0.0373 580 GLN A O 78 C CB . GLN A 10 ? 0.7823 0.5156 0.6526 -0.0385 -0.1997 -0.0152 580 GLN A CB 79 C CG . GLN A 10 ? 0.8296 0.5462 0.7339 -0.0587 -0.2457 0.0033 580 GLN A CG 80 C CD . GLN A 10 ? 0.8540 0.5376 0.7674 -0.0609 -0.2759 -0.0016 580 GLN A CD 81 O OE1 . GLN A 10 ? 0.8129 0.5090 0.7234 -0.0591 -0.2536 -0.0042 580 GLN A OE1 82 N NE2 . GLN A 10 ? 0.9584 0.5938 0.8817 -0.0636 -0.3328 -0.0039 580 GLN A NE2 83 N N . VAL A 11 ? 0.7673 0.5324 0.6465 -0.0460 -0.2068 0.0078 581 VAL A N 84 C CA . VAL A 11 ? 0.8917 0.6439 0.7709 -0.0435 -0.2312 0.0061 581 VAL A CA 85 C C . VAL A 11 ? 0.9944 0.7018 0.8884 -0.0493 -0.2833 0.0026 581 VAL A C 86 O O . VAL A 11 ? 0.8808 0.5860 0.8042 -0.0701 -0.3049 0.0210 581 VAL A O 87 C CB . VAL A 11 ? 0.9851 0.7907 0.8887 -0.0575 -0.2252 0.0340 581 VAL A CB 88 C CG1 . VAL A 11 ? 1.0603 0.8583 0.9738 -0.0615 -0.2561 0.0389 581 VAL A CG1 89 C CG2 . VAL A 11 ? 0.9388 0.7677 0.8150 -0.0395 -0.1857 0.0253 581 VAL A CG2 90 N N . THR A 12 ? 1.0323 0.7014 0.9028 -0.0282 -0.3073 -0.0222 582 THR A N 91 C CA . THR A 12 ? 1.1032 0.7144 0.9765 -0.0218 -0.3680 -0.0367 582 THR A CA 92 C C . THR A 12 ? 1.2024 0.7945 1.0847 -0.0257 -0.4065 -0.0330 582 THR A C 93 O O . THR A 12 ? 1.2242 0.7583 1.0971 -0.0099 -0.4615 -0.0546 582 THR A O 94 C CB . THR A 12 ? 1.1280 0.7090 0.9545 0.0227 -0.3703 -0.0819 582 THR A CB 95 O OG1 . THR A 12 ? 1.0651 0.6672 0.8540 0.0496 -0.3389 -0.1002 582 THR A OG1 96 C CG2 . THR A 12 ? 1.1082 0.7065 0.9306 0.0246 -0.3417 -0.0842 582 THR A CG2 97 N N . GLY A 13 ? 1.1518 0.7919 1.0516 -0.0437 -0.3831 -0.0072 583 GLY A N 98 C CA . GLY A 13 ? 1.0771 0.7108 0.9822 -0.0449 -0.4095 -0.0043 583 GLY A CA 99 C C . GLY A 13 ? 1.0335 0.7301 0.9399 -0.0486 -0.3646 0.0120 583 GLY A C 100 O O . GLY A 13 ? 0.9280 0.6624 0.8252 -0.0453 -0.3177 0.0154 583 GLY A O 101 N N . SER A 14 ? 1.0152 0.7178 0.9301 -0.0516 -0.3844 0.0186 584 SER A N 102 C CA . SER A 14 ? 0.9981 0.7638 0.9188 -0.0540 -0.3534 0.0357 584 SER A CA 103 C C . SER A 14 ? 0.9725 0.7289 0.8418 -0.0192 -0.3168 0.0050 584 SER A C 104 O O . SER A 14 ? 0.9403 0.7418 0.8048 -0.0143 -0.2856 0.0130 584 SER A O 105 C CB . SER A 14 ? 1.0527 0.8394 1.0134 -0.0779 -0.3957 0.0638 584 SER A CB 106 O OG . SER A 14 ? 1.0874 0.8129 1.0263 -0.0605 -0.4301 0.0367 584 SER A OG 107 N N . SER A 15 ? 0.9678 0.6707 0.7986 0.0067 -0.3257 -0.0281 585 SER A N 108 C CA . SER A 15 ? 1.0121 0.7104 0.7947 0.0353 -0.2940 -0.0498 585 SER A CA 109 C C . SER A 15 ? 0.9758 0.6853 0.7365 0.0404 -0.2517 -0.0519 585 SER A C 110 O O . SER A 15 ? 0.8722 0.5774 0.6412 0.0340 -0.2493 -0.0517 585 SER A O 111 C CB . SER A 15 ? 1.0788 0.7356 0.8271 0.0641 -0.3174 -0.0804 585 SER A CB 112 O OG . SER A 15 ? 1.2722 0.9155 1.0317 0.0639 -0.3536 -0.0812 585 SER A OG 113 N N . ASP A 16 ? 0.9557 0.6742 0.6881 0.0514 -0.2248 -0.0533 586 ASP A N 114 C CA . ASP A 16 ? 0.8830 0.6061 0.5950 0.0525 -0.1931 -0.0505 586 ASP A CA 115 C C . ASP A 16 ? 0.8369 0.5509 0.5322 0.0588 -0.1862 -0.0603 586 ASP A C 116 O O . ASP A 16 ? 0.7697 0.4918 0.4690 0.0495 -0.1686 -0.0530 586 ASP A O 117 C CB . ASP A 16 ? 0.9263 0.6441 0.6053 0.0637 -0.1802 -0.0503 586 ASP A CB 118 C CG . ASP A 16 ? 0.9930 0.7269 0.6820 0.0644 -0.1819 -0.0431 586 ASP A CG 119 O OD1 . ASP A 16 ? 0.9723 0.7366 0.6962 0.0556 -0.1904 -0.0345 586 ASP A OD1 120 O OD2 . ASP A 16 ? 0.9484 0.6695 0.6092 0.0752 -0.1778 -0.0443 586 ASP A OD2 121 N N . ASN A 17 ? 0.8436 0.5472 0.5190 0.0787 -0.2018 -0.0781 587 ASN A N 122 C CA . ASN A 17 ? 0.8727 0.5852 0.5288 0.0943 -0.1970 -0.0902 587 ASN A CA 123 C C . ASN A 17 ? 0.8644 0.5640 0.5429 0.0928 -0.2172 -0.1000 587 ASN A C 124 O O . ASN A 17 ? 0.9040 0.6166 0.5661 0.1097 -0.2134 -0.1123 587 ASN A O 125 C CB . ASN A 17 ? 0.9205 0.6450 0.5371 0.1266 -0.2025 -0.1068 587 ASN A CB 126 C CG . ASN A 17 ? 1.0090 0.7058 0.6239 0.1476 -0.2427 -0.1304 587 ASN A CG 127 O OD1 . ASN A 17 ? 1.0122 0.6782 0.6589 0.1339 -0.2717 -0.1314 587 ASN A OD1 128 N ND2 . ASN A 17 ? 1.1207 0.8317 0.6985 0.1801 -0.2481 -0.1463 587 ASN A ND2 129 N N . GLU A 18 ? 0.8934 0.5751 0.6094 0.0720 -0.2396 -0.0909 588 GLU A N 130 C CA . GLU A 18 ? 0.9223 0.5831 0.6626 0.0655 -0.2689 -0.0948 588 GLU A CA 131 C C . GLU A 18 ? 0.8468 0.5279 0.6101 0.0414 -0.2435 -0.0747 588 GLU A C 132 O O . GLU A 18 ? 0.8242 0.5184 0.6224 0.0149 -0.2452 -0.0507 588 GLU A O 133 C CB . GLU A 18 ? 0.9908 0.6227 0.7616 0.0520 -0.3177 -0.0887 588 GLU A CB 134 C CG . GLU A 18 ? 1.1048 0.7045 0.8492 0.0825 -0.3537 -0.1166 588 GLU A CG 135 C CD . GLU A 18 ? 1.2314 0.8010 1.0084 0.0640 -0.4061 -0.1056 588 GLU A CD 136 O OE1 . GLU A 18 ? 1.2568 0.8562 1.0652 0.0340 -0.3960 -0.0745 588 GLU A OE1 137 O OE2 . GLU A 18 ? 1.3423 0.8609 1.1127 0.0819 -0.4621 -0.1283 588 GLU A OE2 138 N N . TYR A 19 ? 0.7773 0.4717 0.5196 0.0531 -0.2193 -0.0833 589 TYR A N 139 C CA . TYR A 19 ? 0.7234 0.4329 0.4813 0.0363 -0.1977 -0.0704 589 TYR A CA 140 C C . TYR A 19 ? 0.7234 0.4464 0.4558 0.0566 -0.1851 -0.0860 589 TYR A C 141 O O . TYR A 19 ? 0.7628 0.4987 0.4639 0.0824 -0.1845 -0.1008 589 TYR A O 142 C CB . TYR A 19 ? 0.7133 0.4454 0.4754 0.0197 -0.1656 -0.0498 589 TYR A CB 143 C CG . TYR A 19 ? 0.7186 0.4606 0.4473 0.0294 -0.1420 -0.0506 589 TYR A CG 144 C CD1 . TYR A 19 ? 0.7540 0.4918 0.4628 0.0390 -0.1449 -0.0525 589 TYR A CD1 145 C CD2 . TYR A 19 ? 0.6949 0.4520 0.4131 0.0263 -0.1208 -0.0453 589 TYR A CD2 146 C CE1 . TYR A 19 ? 0.7449 0.4926 0.4243 0.0434 -0.1286 -0.0460 589 TYR A CE1 147 C CE2 . TYR A 19 ? 0.7482 0.5182 0.4405 0.0276 -0.1062 -0.0360 589 TYR A CE2 148 C CZ . TYR A 19 ? 0.7514 0.5163 0.4241 0.0353 -0.1108 -0.0349 589 TYR A CZ 149 O OH . TYR A 19 ? 0.8144 0.5930 0.4639 0.0317 -0.1009 -0.0187 589 TYR A OH 150 N N . PHE A 20 ? 0.7138 0.4448 0.4597 0.0461 -0.1742 -0.0804 590 PHE A N 151 C CA . PHE A 20 ? 0.6989 0.4592 0.4250 0.0603 -0.1551 -0.0877 590 PHE A CA 152 C C . PHE A 20 ? 0.6825 0.4564 0.4248 0.0351 -0.1279 -0.0672 590 PHE A C 153 O O . PHE A 20 ? 0.7144 0.4754 0.4818 0.0142 -0.1284 -0.0536 590 PHE A O 154 C CB . PHE A 20 ? 0.7894 0.5404 0.5086 0.0875 -0.1835 -0.1144 590 PHE A CB 155 C CG . PHE A 20 ? 0.7586 0.4741 0.5094 0.0704 -0.2078 -0.1113 590 PHE A CG 156 C CD1 . PHE A 20 ? 0.7821 0.4547 0.5545 0.0592 -0.2478 -0.1082 590 PHE A CD1 157 C CD2 . PHE A 20 ? 0.7594 0.4880 0.5204 0.0629 -0.1940 -0.1071 590 PHE A CD2 158 C CE1 . PHE A 20 ? 0.7671 0.4134 0.5719 0.0376 -0.2744 -0.0959 590 PHE A CE1 159 C CE2 . PHE A 20 ? 0.8011 0.4997 0.5910 0.0459 -0.2180 -0.1004 590 PHE A CE2 160 C CZ . PHE A 20 ? 0.7458 0.4047 0.5581 0.0317 -0.2587 -0.0923 590 PHE A CZ 161 N N . TYR A 21 ? 0.6791 0.4868 0.4071 0.0388 -0.1068 -0.0634 591 TYR A N 162 C CA . TYR A 21 ? 0.6885 0.5064 0.4284 0.0165 -0.0857 -0.0451 591 TYR A CA 163 C C . TYR A 21 ? 0.7309 0.5497 0.4866 0.0181 -0.0902 -0.0539 591 TYR A C 164 O O . TYR A 21 ? 0.7705 0.6048 0.5149 0.0419 -0.1002 -0.0723 591 TYR A O 165 C CB . TYR A 21 ? 0.7112 0.5686 0.4325 0.0128 -0.0668 -0.0286 591 TYR A CB 166 C CG . TYR A 21 ? 0.7399 0.5918 0.4454 0.0066 -0.0653 -0.0143 591 TYR A CG 167 C CD1 . TYR A 21 ? 0.7485 0.5641 0.4604 -0.0115 -0.0669 -0.0026 591 TYR A CD1 168 C CD2 . TYR A 21 ? 0.8666 0.7525 0.5477 0.0235 -0.0651 -0.0138 591 TYR A CD2 169 C CE1 . TYR A 21 ? 0.7791 0.5819 0.4742 -0.0148 -0.0711 0.0085 591 TYR A CE1 170 C CE2 . TYR A 21 ? 0.8989 0.7771 0.5652 0.0161 -0.0659 0.0019 591 TYR A CE2 171 C CZ . TYR A 21 ? 0.8294 0.6609 0.5030 -0.0046 -0.0701 0.0132 591 TYR A CZ 172 O OH . TYR A 21 ? 0.8650 0.6807 0.5222 -0.0096 -0.0764 0.0263 591 TYR A OH 173 N N . VAL A 22 ? 0.6880 0.4938 0.4665 -0.0020 -0.0851 -0.0428 592 VAL A N 174 C CA . VAL A 22 ? 0.7300 0.5373 0.5244 -0.0046 -0.0869 -0.0465 592 VAL A CA 175 C C . VAL A 22 ? 0.7529 0.5923 0.5410 -0.0077 -0.0661 -0.0405 592 VAL A C 176 O O . VAL A 22 ? 0.7988 0.6402 0.5894 -0.0253 -0.0525 -0.0237 592 VAL A O 177 C CB . VAL A 22 ? 0.7411 0.5347 0.5623 -0.0234 -0.0893 -0.0336 592 VAL A CB 178 C CG1 . VAL A 22 ? 0.7104 0.5068 0.5475 -0.0279 -0.0904 -0.0341 592 VAL A CG1 179 C CG2 . VAL A 22 ? 0.7206 0.4976 0.5553 -0.0264 -0.1124 -0.0304 592 VAL A CG2 180 N N . ASP A 23 ? 0.8124 0.6771 0.5919 0.0119 -0.0694 -0.0549 593 ASP A N 181 C CA . ASP A 23 ? 0.7866 0.6953 0.5651 0.0109 -0.0529 -0.0487 593 ASP A CA 182 C C . ASP A 23 ? 0.7634 0.6543 0.5625 0.0046 -0.0568 -0.0538 593 ASP A C 183 O O . ASP A 23 ? 0.8557 0.7257 0.6580 0.0205 -0.0781 -0.0727 593 ASP A O 184 C CB . ASP A 23 ? 0.9366 0.8995 0.6916 0.0451 -0.0556 -0.0644 593 ASP A CB 185 C CG . ASP A 23 ? 1.0227 1.0614 0.7736 0.0385 -0.0330 -0.0424 593 ASP A CG 186 O OD1 . ASP A 23 ? 1.1707 1.2143 0.9395 0.0157 -0.0227 -0.0270 593 ASP A OD1 187 O OD2 . ASP A 23 ? 1.0780 1.1780 0.8089 0.0557 -0.0277 -0.0374 593 ASP A OD2 188 N N . PHE A 24 ? 0.7379 0.6327 0.5497 -0.0183 -0.0417 -0.0362 594 PHE A N 189 C CA . PHE A 24 ? 0.6912 0.5777 0.5208 -0.0248 -0.0416 -0.0379 594 PHE A CA 190 C C . PHE A 24 ? 0.5854 0.5146 0.4128 -0.0137 -0.0355 -0.0441 594 PHE A C 191 O O . PHE A 24 ? 0.6370 0.5619 0.4779 -0.0191 -0.0345 -0.0451 594 PHE A O 192 C CB . PHE A 24 ? 0.7898 0.6614 0.6302 -0.0476 -0.0327 -0.0207 594 PHE A CB 193 C CG . PHE A 24 ? 0.7920 0.6344 0.6372 -0.0517 -0.0394 -0.0176 594 PHE A CG 194 C CD1 . PHE A 24 ? 0.7839 0.6170 0.6164 -0.0530 -0.0401 -0.0120 594 PHE A CD1 195 C CD2 . PHE A 24 ? 0.7579 0.5918 0.6207 -0.0541 -0.0451 -0.0166 594 PHE A CD2 196 C CE1 . PHE A 24 ? 0.8294 0.6473 0.6660 -0.0527 -0.0462 -0.0096 594 PHE A CE1 197 C CE2 . PHE A 24 ? 0.7799 0.6098 0.6490 -0.0560 -0.0498 -0.0089 594 PHE A CE2 198 C CZ . PHE A 24 ? 0.8395 0.6624 0.6951 -0.0535 -0.0501 -0.0073 594 PHE A CZ 199 N N . ARG A 25 ? 0.5717 0.5510 0.3816 0.0044 -0.0315 -0.0476 595 ARG A N 200 C CA . ARG A 25 ? 0.6330 0.6754 0.4390 0.0200 -0.0245 -0.0515 595 ARG A CA 201 C C . ARG A 25 ? 0.6298 0.6573 0.4373 0.0449 -0.0411 -0.0797 595 ARG A C 202 O O . ARG A 25 ? 0.6375 0.7001 0.4526 0.0456 -0.0331 -0.0784 595 ARG A O 203 C CB . ARG A 25 ? 0.6655 0.7777 0.4485 0.0445 -0.0204 -0.0520 595 ARG A CB 204 C CG . ARG A 25 ? 0.7760 0.9854 0.5525 0.0663 -0.0108 -0.0515 595 ARG A CG 205 C CD . ARG A 25 ? 0.9552 1.2558 0.7150 0.0749 0.0013 -0.0309 595 ARG A CD 206 N NE . ARG A 25 ? 1.0539 1.3313 0.7908 0.0964 -0.0097 -0.0462 595 ARG A NE 207 C CZ . ARG A 25 ? 1.1332 1.4847 0.8522 0.1069 -0.0013 -0.0297 595 ARG A CZ 208 N NH1 . ARG A 25 ? 1.0443 1.5096 0.7674 0.0959 0.0178 0.0082 595 ARG A NH1 209 N NH2 . ARG A 25 ? 1.1445 1.4629 0.8426 0.1277 -0.0140 -0.0478 595 ARG A NH2 210 N N . GLU A 26 ? 0.6068 0.5804 0.4081 0.0629 -0.0686 -0.1025 596 GLU A N 211 C CA . GLU A 26 ? 0.6166 0.5570 0.4182 0.0849 -0.0976 -0.1279 596 GLU A CA 212 C C . GLU A 26 ? 0.5939 0.4825 0.4231 0.0540 -0.1023 -0.1140 596 GLU A C 213 O O . GLU A 26 ? 0.6051 0.4673 0.4376 0.0656 -0.1265 -0.1280 596 GLU A O 214 C CB . GLU A 26 ? 0.6356 0.5360 0.4181 0.1181 -0.1380 -0.1565 596 GLU A CB 215 C CG . GLU A 26 ? 0.6524 0.6066 0.4024 0.1580 -0.1380 -0.1749 596 GLU A CG 216 C CD . GLU A 26 ? 0.6655 0.7037 0.3955 0.1981 -0.1301 -0.1925 596 GLU A CD 217 O OE1 . GLU A 26 ? 0.7006 0.7504 0.4400 0.1993 -0.1281 -0.1959 596 GLU A OE1 218 O OE2 . GLU A 26 ? 0.7099 0.8129 0.4132 0.2324 -0.1263 -0.2029 596 GLU A OE2 219 N N . TYR A 27 ? 0.5563 0.4345 0.4024 0.0194 -0.0829 -0.0875 597 TYR A N 220 C CA . TYR A 27 ? 0.6071 0.4575 0.4770 -0.0053 -0.0833 -0.0718 597 TYR A CA 221 C C . TYR A 27 ? 0.5914 0.4702 0.4687 -0.0133 -0.0624 -0.0659 597 TYR A C 222 O O . TYR A 27 ? 0.5423 0.4627 0.4114 -0.0108 -0.0448 -0.0643 597 TYR A O 223 C CB . TYR A 27 ? 0.5787 0.4162 0.4578 -0.0276 -0.0750 -0.0512 597 TYR A CB 224 C CG . TYR A 27 ? 0.5738 0.3826 0.4540 -0.0261 -0.0993 -0.0513 597 TYR A CG 225 C CD1 . TYR A 27 ? 0.5995 0.4075 0.4598 -0.0092 -0.1058 -0.0646 597 TYR A CD1 226 C CD2 . TYR A 27 ? 0.5969 0.3867 0.4998 -0.0430 -0.1179 -0.0340 597 TYR A CD2 227 C CE1 . TYR A 27 ? 0.6377 0.4152 0.4994 -0.0079 -0.1327 -0.0656 597 TYR A CE1 228 C CE2 . TYR A 27 ? 0.6297 0.3958 0.5386 -0.0472 -0.1455 -0.0282 597 TYR A CE2 229 C CZ . TYR A 27 ? 0.6627 0.4170 0.5505 -0.0292 -0.1538 -0.0464 597 TYR A CZ 230 O OH . TYR A 27 ? 0.7173 0.4447 0.6107 -0.0327 -0.1844 -0.0422 597 TYR A OH 231 N N . GLU A 28 ? 0.5796 0.4412 0.4738 -0.0241 -0.0672 -0.0595 598 GLU A N 232 C CA . GLU A 28 ? 0.5963 0.4792 0.4983 -0.0307 -0.0514 -0.0557 598 GLU A CA 233 C C . GLU A 28 ? 0.5295 0.4120 0.4392 -0.0505 -0.0359 -0.0378 598 GLU A C 234 O O . GLU A 28 ? 0.5511 0.4190 0.4665 -0.0572 -0.0398 -0.0280 598 GLU A O 235 C CB . GLU A 28 ? 0.5628 0.4316 0.4744 -0.0249 -0.0675 -0.0625 598 GLU A CB 236 C CG . GLU A 28 ? 0.6380 0.4954 0.5369 0.0030 -0.0948 -0.0870 598 GLU A CG 237 C CD . GLU A 28 ? 0.6404 0.5471 0.5202 0.0292 -0.0844 -0.1059 598 GLU A CD 238 O OE1 . GLU A 28 ? 0.6387 0.5908 0.5230 0.0194 -0.0578 -0.0956 598 GLU A OE1 239 O OE2 . GLU A 28 ? 0.8057 0.7115 0.6658 0.0611 -0.1065 -0.1295 598 GLU A OE2 240 N N . TYR A 29 ? 0.5041 0.4067 0.4133 -0.0570 -0.0229 -0.0340 599 TYR A N 241 C CA . TYR A 29 ? 0.5222 0.4157 0.4336 -0.0698 -0.0182 -0.0229 599 TYR A CA 242 C C . TYR A 29 ? 0.5076 0.3958 0.4298 -0.0681 -0.0203 -0.0238 599 TYR A C 243 O O . TYR A 29 ? 0.5241 0.4227 0.4534 -0.0652 -0.0200 -0.0293 599 TYR A O 244 C CB . TYR A 29 ? 0.5476 0.4606 0.4577 -0.0817 -0.0139 -0.0142 599 TYR A CB 245 C CG . TYR A 29 ? 0.5568 0.4505 0.4697 -0.0932 -0.0210 -0.0067 599 TYR A CG 246 C CD1 . TYR A 29 ? 0.5663 0.4268 0.4691 -0.0931 -0.0318 -0.0047 599 TYR A CD1 247 C CD2 . TYR A 29 ? 0.5580 0.4653 0.4815 -0.1005 -0.0223 -0.0042 599 TYR A CD2 248 C CE1 . TYR A 29 ? 0.5670 0.4007 0.4668 -0.0958 -0.0488 -0.0040 599 TYR A CE1 249 C CE2 . TYR A 29 ? 0.5684 0.4494 0.4927 -0.1089 -0.0375 0.0001 599 TYR A CE2 250 C CZ . TYR A 29 ? 0.5601 0.4005 0.4708 -0.1047 -0.0534 -0.0015 599 TYR A CZ 251 O OH . TYR A 29 ? 0.5756 0.3812 0.4818 -0.1055 -0.0782 -0.0031 599 TYR A OH 252 N N . ASP A 30 ? 0.4773 0.3570 0.3984 -0.0659 -0.0229 -0.0189 600 ASP A N 253 C CA . ASP A 30 ? 0.4906 0.3803 0.4192 -0.0597 -0.0244 -0.0169 600 ASP A CA 254 C C . ASP A 30 ? 0.5237 0.4074 0.4479 -0.0581 -0.0260 -0.0230 600 ASP A C 255 O O . ASP A 30 ? 0.5207 0.3871 0.4326 -0.0551 -0.0343 -0.0253 600 ASP A O 256 C CB . ASP A 30 ? 0.4507 0.3547 0.3783 -0.0516 -0.0271 -0.0082 600 ASP A CB 257 C CG . ASP A 30 ? 0.4782 0.4147 0.4139 -0.0423 -0.0275 -0.0007 600 ASP A CG 258 O OD1 . ASP A 30 ? 0.5063 0.4435 0.4430 -0.0386 -0.0265 -0.0070 600 ASP A OD1 259 O OD2 . ASP A 30 ? 0.5567 0.5272 0.4989 -0.0387 -0.0291 0.0148 600 ASP A OD2 260 N N . LEU A 31 ? 0.4837 0.3765 0.4174 -0.0589 -0.0239 -0.0261 601 LEU A N 261 C CA . LEU A 31 ? 0.4921 0.3788 0.4255 -0.0606 -0.0288 -0.0310 601 LEU A CA 262 C C . LEU A 31 ? 0.4881 0.3671 0.4119 -0.0442 -0.0400 -0.0374 601 LEU A C 263 O O . LEU A 31 ? 0.5479 0.4082 0.4683 -0.0452 -0.0536 -0.0431 601 LEU A O 264 C CB . LEU A 31 ? 0.4827 0.3857 0.4287 -0.0636 -0.0238 -0.0341 601 LEU A CB 265 C CG . LEU A 31 ? 0.5356 0.4546 0.4854 -0.0698 -0.0177 -0.0344 601 LEU A CG 266 C CD1 . LEU A 31 ? 0.6059 0.5403 0.5638 -0.0622 -0.0169 -0.0426 601 LEU A CD1 267 C CD2 . LEU A 31 ? 0.5652 0.4965 0.5152 -0.0849 -0.0181 -0.0259 601 LEU A CD2 268 N N . LYS A 32 ? 0.5072 0.4050 0.4257 -0.0270 -0.0386 -0.0360 602 LYS A N 269 C CA . LYS A 32 ? 0.5436 0.4459 0.4450 0.0011 -0.0519 -0.0470 602 LYS A CA 270 C C . LYS A 32 ? 0.5620 0.4199 0.4431 0.0077 -0.0746 -0.0586 602 LYS A C 271 O O . LYS A 32 ? 0.5547 0.4000 0.4168 0.0353 -0.0967 -0.0753 602 LYS A O 272 C CB . LYS A 32 ? 0.5516 0.5078 0.4527 0.0204 -0.0445 -0.0376 602 LYS A CB 273 C CG . LYS A 32 ? 0.6636 0.6254 0.5587 0.0224 -0.0440 -0.0320 602 LYS A CG 274 C CD . LYS A 32 ? 0.6945 0.7278 0.5965 0.0360 -0.0368 -0.0141 602 LYS A CD 275 C CE . LYS A 32 ? 0.7420 0.7835 0.6379 0.0397 -0.0380 -0.0098 602 LYS A CE 276 N NZ . LYS A 32 ? 0.8249 0.9506 0.7348 0.0461 -0.0316 0.0167 602 LYS A NZ 277 N N . TRP A 33 ? 0.5249 0.3591 0.4072 -0.0137 -0.0738 -0.0503 603 TRP A N 278 C CA . TRP A 33 ? 0.6082 0.3932 0.4741 -0.0160 -0.1007 -0.0543 603 TRP A CA 279 C C . TRP A 33 ? 0.6189 0.3687 0.4913 -0.0389 -0.1217 -0.0491 603 TRP A C 280 O O . TRP A 33 ? 0.6479 0.3479 0.5073 -0.0418 -0.1565 -0.0500 603 TRP A O 281 C CB . TRP A 33 ? 0.5800 0.3608 0.4451 -0.0311 -0.0926 -0.0427 603 TRP A CB 282 C CG . TRP A 33 ? 0.5856 0.3941 0.4431 -0.0087 -0.0829 -0.0466 603 TRP A CG 283 C CD1 . TRP A 33 ? 0.5360 0.3872 0.4086 -0.0125 -0.0593 -0.0365 603 TRP A CD1 284 C CD2 . TRP A 33 ? 0.6091 0.4077 0.4426 0.0213 -0.1019 -0.0597 603 TRP A CD2 285 N NE1 . TRP A 33 ? 0.5471 0.4242 0.4114 0.0082 -0.0598 -0.0370 603 TRP A NE1 286 C CE2 . TRP A 33 ? 0.5971 0.4479 0.4358 0.0326 -0.0830 -0.0533 603 TRP A CE2 287 C CE3 . TRP A 33 ? 0.6255 0.3749 0.4329 0.0414 -0.1389 -0.0764 603 TRP A CE3 288 C CZ2 . TRP A 33 ? 0.6097 0.4795 0.4289 0.0655 -0.0935 -0.0630 603 TRP A CZ2 289 C CZ3 . TRP A 33 ? 0.7257 0.4826 0.5084 0.0798 -0.1533 -0.0923 603 TRP A CZ3 290 C CH2 . TRP A 33 ? 0.6645 0.4892 0.4537 0.0925 -0.1270 -0.0853 603 TRP A CH2 291 N N . GLU A 34 ? 0.5448 0.3679 0.4817 -0.0395 -0.1684 0.0569 604 GLU A N 292 C CA . GLU A 34 ? 0.5434 0.3776 0.5078 -0.0396 -0.1778 0.0437 604 GLU A CA 293 C C . GLU A 34 ? 0.6266 0.4534 0.5610 -0.0410 -0.1930 0.0437 604 GLU A C 294 O O . GLU A 34 ? 0.6238 0.4384 0.5245 -0.0366 -0.2086 0.0558 604 GLU A O 295 C CB . GLU A 34 ? 0.5723 0.4120 0.5847 -0.0332 -0.1955 0.0423 604 GLU A CB 296 C CG . GLU A 34 ? 0.5877 0.4506 0.6493 -0.0326 -0.1974 0.0264 604 GLU A CG 297 C CD . GLU A 34 ? 0.5756 0.4615 0.6603 -0.0324 -0.1695 0.0129 604 GLU A CD 298 O OE1 . GLU A 34 ? 0.5518 0.4333 0.6187 -0.0296 -0.1538 0.0110 604 GLU A OE1 299 O OE2 . GLU A 34 ? 0.5316 0.4426 0.6540 -0.0347 -0.1634 0.0050 604 GLU A OE2 300 N N . PHE A 35 ? 0.5756 0.4096 0.5234 -0.0466 -0.1897 0.0308 605 PHE A N 301 C CA . PHE A 35 ? 0.6498 0.4738 0.5770 -0.0478 -0.2067 0.0236 605 PHE A CA 302 C C . PHE A 35 ? 0.6358 0.4728 0.6211 -0.0531 -0.2231 0.0144 605 PHE A C 303 O O . PHE A 35 ? 0.6441 0.5027 0.6782 -0.0582 -0.2065 0.0132 605 PHE A O 304 C CB . PHE A 35 ? 0.6556 0.4728 0.5568 -0.0518 -0.1891 0.0182 605 PHE A CB 305 C CG . PHE A 35 ? 0.6775 0.4791 0.5554 -0.0502 -0.2087 0.0060 605 PHE A CG 306 C CD1 . PHE A 35 ? 0.7314 0.5202 0.5509 -0.0381 -0.2206 0.0041 605 PHE A CD1 307 C CD2 . PHE A 35 ? 0.6493 0.4496 0.5642 -0.0598 -0.2154 -0.0035 605 PHE A CD2 308 C CE1 . PHE A 35 ? 0.7932 0.5664 0.5876 -0.0318 -0.2419 -0.0143 605 PHE A CE1 309 C CE2 . PHE A 35 ? 0.6799 0.4606 0.5796 -0.0571 -0.2396 -0.0190 605 PHE A CE2 310 C CZ . PHE A 35 ? 0.7550 0.5213 0.5923 -0.0412 -0.2543 -0.0280 605 PHE A CZ 311 N N . PRO A 36 ? 0.6840 0.5112 0.6668 -0.0507 -0.2556 0.0073 606 PRO A N 312 C CA . PRO A 36 ? 0.6839 0.5271 0.7374 -0.0572 -0.2735 -0.0007 606 PRO A CA 313 C C . PRO A 36 ? 0.6576 0.5081 0.7473 -0.0716 -0.2610 -0.0054 606 PRO A C 314 O O . PRO A 36 ? 0.6844 0.5131 0.7403 -0.0731 -0.2678 -0.0119 606 PRO A O 315 C CB . PRO A 36 ? 0.7294 0.5548 0.7631 -0.0488 -0.3182 -0.0088 606 PRO A CB 316 C CG . PRO A 36 ? 0.7661 0.5698 0.7119 -0.0365 -0.3185 -0.0022 606 PRO A CG 317 C CD . PRO A 36 ? 0.7573 0.5618 0.6764 -0.0407 -0.2786 0.0041 606 PRO A CD 318 N N . ARG A 37 ? 0.6734 0.5554 0.8304 -0.0806 -0.2419 -0.0006 607 ARG A N 319 C CA . ARG A 37 ? 0.7254 0.6216 0.9339 -0.0977 -0.2293 0.0035 607 ARG A CA 320 C C . ARG A 37 ? 0.6696 0.5437 0.8938 -0.1057 -0.2639 -0.0054 607 ARG A C 321 O O . ARG A 37 ? 0.7236 0.5821 0.9424 -0.1153 -0.2589 -0.0030 607 ARG A O 322 C CB . ARG A 37 ? 0.7620 0.7043 1.0591 -0.1048 -0.2159 0.0093 607 ARG A CB 323 C CG . ARG A 37 ? 0.8151 0.7840 1.1174 -0.0922 -0.1931 0.0094 607 ARG A CG 324 C CD . ARG A 37 ? 0.7680 0.7893 1.1434 -0.0963 -0.1634 0.0149 607 ARG A CD 325 N NE . ARG A 37 ? 0.7776 0.8076 1.1156 -0.0818 -0.1345 0.0122 607 ARG A NE 326 C CZ . ARG A 37 ? 0.6895 0.7216 0.9877 -0.0826 -0.1015 0.0193 607 ARG A CZ 327 N NH1 . ARG A 37 ? 0.6380 0.6689 0.9329 -0.0986 -0.0866 0.0347 607 ARG A NH1 328 N NH2 . ARG A 37 ? 0.6790 0.7139 0.9446 -0.0661 -0.0861 0.0107 607 ARG A NH2 329 N N . GLU A 38 ? 0.6936 0.5645 0.9402 -0.1004 -0.3032 -0.0170 608 GLU A N 330 C CA . GLU A 38 ? 0.7645 0.6156 1.0388 -0.1059 -0.3461 -0.0314 608 GLU A CA 331 C C . GLU A 38 ? 0.7796 0.5866 0.9737 -0.0957 -0.3660 -0.0472 608 GLU A C 332 O O . GLU A 38 ? 0.7800 0.5659 0.9956 -0.1000 -0.3992 -0.0623 608 GLU A O 333 C CB . GLU A 38 ? 0.8238 0.6849 1.1458 -0.1004 -0.3874 -0.0416 608 GLU A CB 334 C CG . GLU A 38 ? 0.9531 0.7952 1.2028 -0.0781 -0.4123 -0.0491 608 GLU A CG 335 N N . ASN A 39 ? 0.7638 0.5593 0.8725 -0.0816 -0.3461 -0.0448 609 ASN A N 336 C CA . ASN A 39 ? 0.8132 0.5770 0.8482 -0.0707 -0.3513 -0.0581 609 ASN A CA 337 C C . ASN A 39 ? 0.8106 0.5670 0.8508 -0.0814 -0.3242 -0.0522 609 ASN A C 338 O O . ASN A 39 ? 0.7939 0.5265 0.7792 -0.0708 -0.3259 -0.0644 609 ASN A O 339 C CB . ASN A 39 ? 0.8493 0.6098 0.7986 -0.0518 -0.3399 -0.0542 609 ASN A CB 340 C CG . ASN A 39 ? 0.9070 0.6625 0.8291 -0.0371 -0.3761 -0.0609 609 ASN A CG 341 O OD1 . ASN A 39 ? 0.8918 0.6526 0.8684 -0.0411 -0.4070 -0.0666 609 ASN A OD1 342 N ND2 . ASN A 39 ? 0.9797 0.7274 0.8184 -0.0198 -0.3720 -0.0576 609 ASN A ND2 343 N N . LEU A 40 ? 0.7864 0.5646 0.8893 -0.1002 -0.2989 -0.0331 610 LEU A N 344 C CA . LEU A 40 ? 0.7931 0.5623 0.9116 -0.1129 -0.2807 -0.0230 610 LEU A CA 345 C C . LEU A 40 ? 0.7814 0.5438 0.9791 -0.1313 -0.3060 -0.0225 610 LEU A C 346 O O . LEU A 40 ? 0.7994 0.5903 1.0695 -0.1442 -0.3073 -0.0121 610 LEU A O 347 C CB . LEU A 40 ? 0.7448 0.5441 0.8745 -0.1210 -0.2346 0.0019 610 LEU A CB 348 C CG . LEU A 40 ? 0.7341 0.5400 0.8007 -0.1060 -0.2097 0.0034 610 LEU A CG 349 C CD1 . LEU A 40 ? 0.7024 0.5378 0.7877 -0.1122 -0.1714 0.0223 610 LEU A CD1 350 C CD2 . LEU A 40 ? 0.7254 0.5026 0.7259 -0.0948 -0.2093 -0.0056 610 LEU A CD2 351 N N . GLU A 41 ? 0.8118 0.5375 1.0028 -0.1319 -0.3271 -0.0340 611 GLU A N 352 C CA . GLU A 41 ? 0.8998 0.6123 1.1739 -0.1530 -0.3504 -0.0284 611 GLU A CA 353 C C . GLU A 41 ? 0.8720 0.5780 1.1470 -0.1652 -0.3188 -0.0023 611 GLU A C 354 O O . GLU A 41 ? 0.8124 0.4869 1.0331 -0.1529 -0.3213 -0.0137 611 GLU A O 355 C CB . GLU A 41 ? 0.9558 0.6246 1.2248 -0.1420 -0.4071 -0.0649 611 GLU A CB 356 C CG . GLU A 41 ? 1.0685 0.7201 1.4387 -0.1647 -0.4427 -0.0624 611 GLU A CG 357 N N . PHE A 42 ? 0.8539 0.5935 1.1873 -0.1868 -0.2876 0.0332 612 PHE A N 358 C CA . PHE A 42 ? 0.8552 0.5934 1.1867 -0.1987 -0.2557 0.0647 612 PHE A CA 359 C C . PHE A 42 ? 0.9014 0.5978 1.2794 -0.2142 -0.2843 0.0722 612 PHE A C 360 O O . PHE A 42 ? 0.8600 0.5530 1.3229 -0.2327 -0.3120 0.0765 612 PHE A O 361 C CB . PHE A 42 ? 0.8351 0.6278 1.2078 -0.2140 -0.2110 0.1009 612 PHE A CB 362 C CG . PHE A 42 ? 0.8099 0.6348 1.1251 -0.1957 -0.1788 0.0949 612 PHE A CG 363 C CD1 . PHE A 42 ? 0.7732 0.5879 1.0095 -0.1816 -0.1557 0.0956 612 PHE A CD1 364 C CD2 . PHE A 42 ? 0.7866 0.6487 1.1308 -0.1914 -0.1765 0.0865 612 PHE A CD2 365 C CE1 . PHE A 42 ? 0.7739 0.6134 0.9640 -0.1650 -0.1319 0.0879 612 PHE A CE1 366 C CE2 . PHE A 42 ? 0.7844 0.6699 1.0803 -0.1736 -0.1520 0.0793 612 PHE A CE2 367 C CZ . PHE A 42 ? 0.7982 0.6716 1.0181 -0.1610 -0.1301 0.0800 612 PHE A CZ 368 N N . GLY A 43 ? 0.8995 0.5628 1.2264 -0.2059 -0.2805 0.0728 613 GLY A N 369 C CA . GLY A 43 ? 0.9573 0.5790 1.3233 -0.2196 -0.3018 0.0869 613 GLY A CA 370 C C . GLY A 43 ? 0.9488 0.5909 1.3267 -0.2383 -0.2598 0.1392 613 GLY A C 371 O O . GLY A 43 ? 0.9539 0.6470 1.3620 -0.2521 -0.2248 0.1684 613 GLY A O 372 N N . LYS A 44 ? 0.9502 0.5547 1.3009 -0.2357 -0.2631 0.1499 614 LYS A N 373 C CA . LYS A 44 ? 0.9985 0.6105 1.3600 -0.2538 -0.2329 0.2034 614 LYS A CA 374 C C . LYS A 44 ? 0.9191 0.5656 1.2005 -0.2396 -0.1856 0.2154 614 LYS A C 375 O O . LYS A 44 ? 0.8601 0.5115 1.0748 -0.2145 -0.1809 0.1810 614 LYS A O 376 C CB . LYS A 44 ? 1.1267 0.6773 1.5009 -0.2573 -0.2645 0.2120 614 LYS A CB 377 C CG . LYS A 44 ? 1.2473 0.7605 1.7181 -0.2772 -0.3124 0.2109 614 LYS A CG 378 N N . VAL A 45 ? 0.8956 0.5655 1.1862 -0.2558 -0.1521 0.2656 615 VAL A N 379 C CA . VAL A 45 ? 0.8990 0.5979 1.1152 -0.2426 -0.1111 0.2804 615 VAL A CA 380 C C . VAL A 45 ? 0.9455 0.5959 1.1055 -0.2278 -0.1280 0.2751 615 VAL A C 381 O O . VAL A 45 ? 0.9286 0.5360 1.1197 -0.2397 -0.1522 0.2957 615 VAL A O 382 C CB . VAL A 45 ? 0.9867 0.7281 1.2242 -0.2622 -0.0696 0.3377 615 VAL A CB 383 C CG1 . VAL A 45 ? 1.0020 0.7733 1.1522 -0.2423 -0.0315 0.3438 615 VAL A CG1 384 C CG2 . VAL A 45 ? 1.0122 0.8060 1.3250 -0.2788 -0.0529 0.3462 615 VAL A CG2 385 N N . LEU A 46 ? 0.9363 0.5940 1.0221 -0.2022 -0.1174 0.2478 616 LEU A N 386 C CA . LEU A 46 ? 0.9698 0.5916 1.0015 -0.1844 -0.1299 0.2396 616 LEU A CA 387 C C . LEU A 46 ? 1.0005 0.6365 0.9834 -0.1821 -0.1026 0.2754 616 LEU A C 388 O O . LEU A 46 ? 1.0156 0.6158 0.9770 -0.1777 -0.1172 0.2896 616 LEU A O 389 C CB . LEU A 46 ? 0.8958 0.5186 0.8838 -0.1584 -0.1370 0.1895 616 LEU A CB 390 C CG . LEU A 46 ? 0.8875 0.4931 0.9061 -0.1548 -0.1665 0.1519 616 LEU A CG 391 C CD1 . LEU A 46 ? 0.8179 0.4381 0.7900 -0.1315 -0.1624 0.1133 616 LEU A CD1 392 C CD2 . LEU A 46 ? 0.9324 0.4837 0.9800 -0.1550 -0.2057 0.1443 616 LEU A CD2 393 N N . GLY A 47 ? 1.0355 0.7228 0.9976 -0.1814 -0.0658 0.2861 617 GLY A N 394 C CA . GLY A 47 ? 1.0623 0.7698 0.9780 -0.1795 -0.0375 0.3231 617 GLY A CA 395 C C . GLY A 47 ? 1.0997 0.8705 1.0090 -0.1791 0.0038 0.3307 617 GLY A C 396 O O . GLY A 47 ? 1.0358 0.8328 0.9637 -0.1738 0.0084 0.2985 617 GLY A O 397 N N . SER A 48 ? 1.2301 1.0254 1.1114 -0.1827 0.0331 0.3738 618 SER A N 398 C CA . SER A 48 ? 1.2474 1.1082 1.1123 -0.1770 0.0772 0.3828 618 SER A CA 399 C C . SER A 48 ? 1.2592 1.1307 1.0303 -0.1538 0.0942 0.3905 618 SER A C 400 O O . SER A 48 ? 1.2566 1.0938 0.9898 -0.1540 0.0820 0.4185 618 SER A O 401 C CB . SER A 48 ? 1.2544 1.1492 1.1831 -0.2050 0.1041 0.4343 618 SER A CB 402 O OG . SER A 48 ? 1.2131 1.0996 1.2332 -0.2255 0.0842 0.4242 618 SER A OG 403 N N . GLY A 49 ? 1.3159 1.2312 1.0507 -0.1317 0.1168 0.3618 619 GLY A N 404 C CA . GLY A 49 ? 1.3625 1.3047 1.0128 -0.1083 0.1404 0.3694 619 GLY A CA 405 C C . GLY A 49 ? 1.3923 1.4053 1.0578 -0.1107 0.1896 0.3919 619 GLY A C 406 O O . GLY A 49 ? 1.3159 1.3507 1.0611 -0.1368 0.2040 0.4176 619 GLY A O 407 N N . ALA A 50 ? 1.4467 1.4976 1.0389 -0.0819 0.2140 0.3800 620 ALA A N 408 C CA . ALA A 50 ? 1.5125 1.6404 1.1115 -0.0748 0.2644 0.3903 620 ALA A CA 409 C C . ALA A 50 ? 1.4555 1.6116 1.1181 -0.0691 0.2650 0.3419 620 ALA A C 410 O O . ALA A 50 ? 1.3990 1.5966 1.1407 -0.0872 0.2883 0.3580 620 ALA A O 411 C CB . ALA A 50 ? 1.5704 1.7270 1.0621 -0.0395 0.2857 0.3845 620 ALA A CB 412 N N . PHE A 51 ? 1.4164 1.5477 1.0505 -0.0454 0.2362 0.2855 621 PHE A N 413 C CA . PHE A 51 ? 1.3080 1.4609 0.9899 -0.0344 0.2323 0.2377 621 PHE A CA 414 C C . PHE A 51 ? 1.1750 1.2955 0.9383 -0.0575 0.2017 0.2255 621 PHE A C 415 O O . PHE A 51 ? 1.0925 1.2287 0.8963 -0.0496 0.1964 0.1910 621 PHE A O 416 C CB . PHE A 51 ? 1.2963 1.4377 0.9149 0.0015 0.2142 0.1856 621 PHE A CB 417 N N . GLY A 52 ? 1.1093 1.1846 0.8951 -0.0832 0.1798 0.2518 622 GLY A N 418 C CA . GLY A 52 ? 0.9985 1.0432 0.8511 -0.1011 0.1493 0.2374 622 GLY A CA 419 C C . GLY A 52 ? 1.0027 0.9954 0.8751 -0.1248 0.1227 0.2617 622 GLY A C 420 O O . GLY A 52 ? 1.0622 1.0429 0.9123 -0.1340 0.1294 0.3001 622 GLY A O 421 N N . LYS A 53 ? 0.9372 0.8986 0.8505 -0.1327 0.0910 0.2386 623 LYS A N 422 C CA . LYS A 53 ? 0.8793 0.7899 0.8175 -0.1510 0.0605 0.2508 623 LYS A CA 423 C C . LYS A 53 ? 0.8334 0.7068 0.7726 -0.1436 0.0252 0.2110 623 LYS A C 424 O O . LYS A 53 ? 0.8195 0.7086 0.7604 -0.1318 0.0236 0.1804 623 LYS A O 425 C CB . LYS A 53 ? 0.9088 0.8317 0.9277 -0.1796 0.0643 0.2836 623 LYS A CB 426 C CG . LYS A 53 ? 0.9125 0.8804 0.9968 -0.1846 0.0745 0.2715 623 LYS A CG 427 C CD . LYS A 53 ? 0.9052 0.8818 1.0811 -0.2151 0.0718 0.3037 623 LYS A CD 428 N N . VAL A 54 ? 0.8102 0.6351 0.7464 -0.1491 -0.0022 0.2132 624 VAL A N 429 C CA . VAL A 54 ? 0.7609 0.5521 0.6985 -0.1423 -0.0338 0.1795 624 VAL A CA 430 C C . VAL A 54 ? 0.7895 0.5559 0.7858 -0.1611 -0.0579 0.1865 624 VAL A C 431 O O . VAL A 54 ? 0.7937 0.5364 0.8071 -0.1745 -0.0649 0.2145 624 VAL A O 432 C CB . VAL A 54 ? 0.7610 0.5183 0.6469 -0.1269 -0.0479 0.1676 624 VAL A CB 433 C CG1 . VAL A 54 ? 0.7481 0.4851 0.6322 -0.1162 -0.0714 0.1315 624 VAL A CG1 434 C CG2 . VAL A 54 ? 0.8064 0.5857 0.6401 -0.1101 -0.0283 0.1645 624 VAL A CG2 435 N N . MET A 55 ? 0.7622 0.5320 0.7892 -0.1612 -0.0738 0.1612 625 MET A N 436 C CA . MET A 55 ? 0.7937 0.5416 0.8787 -0.1756 -0.1032 0.1582 625 MET A CA 437 C C . MET A 55 ? 0.7605 0.4756 0.8236 -0.1601 -0.1355 0.1187 625 MET A C 438 O O . MET A 55 ? 0.7841 0.5108 0.8094 -0.1434 -0.1316 0.0950 625 MET A O 439 C CB . MET A 55 ? 0.8352 0.6222 0.9817 -0.1887 -0.0955 0.1642 625 MET A CB 440 C CG . MET A 55 ? 0.9349 0.7510 1.1285 -0.2103 -0.0691 0.2089 625 MET A CG 441 S SD . MET A 55 ? 1.0433 0.9150 1.3244 -0.2255 -0.0569 0.2171 625 MET A SD 442 C CE . MET A 55 ? 1.0378 0.8690 1.4016 -0.2468 -0.1071 0.2140 625 MET A CE 443 N N . ASN A 56 ? 0.7849 0.4594 0.8729 -0.1649 -0.1676 0.1128 626 ASN A N 444 C CA . ASN A 56 ? 0.8196 0.4665 0.8949 -0.1497 -0.2008 0.0733 626 ASN A CA 445 C C . ASN A 56 ? 0.8289 0.4946 0.9350 -0.1526 -0.2139 0.0575 626 ASN A C 446 O O . ASN A 56 ? 0.7816 0.4685 0.9479 -0.1723 -0.2102 0.0777 626 ASN A O 447 C CB . ASN A 56 ? 0.9011 0.4985 1.0065 -0.1537 -0.2362 0.0689 626 ASN A CB 448 C CG . ASN A 56 ? 0.9423 0.5124 1.0322 -0.1337 -0.2726 0.0225 626 ASN A CG 449 O OD1 . ASN A 56 ? 1.0640 0.6155 1.2000 -0.1402 -0.3065 0.0089 626 ASN A OD1 450 N ND2 . ASN A 56 ? 0.9651 0.5365 0.9910 -0.1084 -0.2653 -0.0023 626 ASN A ND2 451 N N . ALA A 57 ? 0.7799 0.4409 0.8455 -0.1325 -0.2285 0.0237 627 ALA A N 452 C CA . ALA A 57 ? 0.8118 0.4797 0.8985 -0.1310 -0.2525 0.0042 627 ALA A CA 453 C C . ALA A 57 ? 0.7948 0.4404 0.8292 -0.1063 -0.2784 -0.0339 627 ALA A C 454 O O . ALA A 57 ? 0.7986 0.4367 0.7780 -0.0892 -0.2671 -0.0437 627 ALA A O 455 C CB . ALA A 57 ? 0.7783 0.4899 0.8664 -0.1328 -0.2276 0.0150 627 ALA A CB 456 N N . THR A 58 ? 0.8528 0.4903 0.9067 -0.1036 -0.3137 -0.0554 628 THR A N 457 C CA . THR A 58 ? 0.9274 0.5554 0.9211 -0.0773 -0.3350 -0.0900 628 THR A CA 458 C C . THR A 58 ? 0.8475 0.5101 0.8150 -0.0730 -0.3177 -0.0816 628 THR A C 459 O O . THR A 58 ? 0.8163 0.4995 0.8338 -0.0881 -0.3177 -0.0669 628 THR A O 460 C CB . THR A 58 ? 0.9851 0.5813 1.0063 -0.0728 -0.3887 -0.1212 628 THR A CB 461 O OG1 . THR A 58 ? 1.0013 0.5616 1.0481 -0.0756 -0.4042 -0.1278 628 THR A OG1 462 C CG2 . THR A 58 ? 1.0806 0.6697 1.0268 -0.0413 -0.4106 -0.1583 628 THR A CG2 463 N N . ALA A 59 ? 0.8497 0.5201 0.7456 -0.0530 -0.3016 -0.0885 629 ALA A N 464 C CA . ALA A 59 ? 0.8467 0.5438 0.7147 -0.0477 -0.2878 -0.0782 629 ALA A CA 465 C C . ALA A 59 ? 0.9089 0.5969 0.7202 -0.0249 -0.3151 -0.1024 629 ALA A C 466 O O . ALA A 59 ? 0.9137 0.5925 0.6688 -0.0054 -0.3133 -0.1194 629 ALA A O 467 C CB . ALA A 59 ? 0.7713 0.4866 0.6078 -0.0453 -0.2468 -0.0598 629 ALA A CB 468 N N . TYR A 60 ? 0.9312 0.6247 0.7568 -0.0257 -0.3399 -0.1038 630 TYR A N 469 C CA . TYR A 60 ? 1.0850 0.7697 0.8537 -0.0034 -0.3721 -0.1251 630 TYR A CA 470 C C . TYR A 60 ? 1.0347 0.7412 0.7488 0.0059 -0.3480 -0.1035 630 TYR A C 471 O O . TYR A 60 ? 0.9505 0.6744 0.6977 -0.0063 -0.3363 -0.0798 630 TYR A O 472 C CB . TYR A 60 ? 1.1006 0.7760 0.9199 -0.0090 -0.4195 -0.1385 630 TYR A CB 473 C CG . TYR A 60 ? 1.2981 0.9481 1.1778 -0.0190 -0.4487 -0.1590 630 TYR A CG 474 C CD1 . TYR A 60 ? 1.2574 0.9134 1.2184 -0.0464 -0.4297 -0.1381 630 TYR A CD1 475 C CD2 . TYR A 60 ? 1.4865 1.1053 1.3426 -0.0005 -0.4973 -0.1987 630 TYR A CD2 476 C CE1 . TYR A 60 ? 1.3261 0.9570 1.3491 -0.0587 -0.4565 -0.1497 630 TYR A CE1 477 C CE2 . TYR A 60 ? 1.4572 1.0474 1.3788 -0.0109 -0.5288 -0.2172 630 TYR A CE2 478 C CZ . TYR A 60 ? 1.3677 0.9634 1.3764 -0.0420 -0.5079 -0.1894 630 TYR A CZ 479 O OH . TYR A 60 ? 1.2439 0.8108 1.3253 -0.0561 -0.5379 -0.1992 630 TYR A OH 480 N N . GLY A 61 ? 1.1041 0.8113 0.7396 0.0276 -0.3382 -0.1104 631 GLY A N 481 C CA . GLY A 61 ? 1.0828 0.8096 0.6650 0.0362 -0.3171 -0.0860 631 GLY A CA 482 C C . GLY A 61 ? 1.0297 0.7765 0.6290 0.0234 -0.2726 -0.0550 631 GLY A C 483 O O . GLY A 61 ? 1.1604 0.9206 0.7417 0.0237 -0.2611 -0.0292 631 GLY A O 484 N N . ILE A 62 ? 0.9718 0.7183 0.6056 0.0130 -0.2509 -0.0568 632 ILE A N 485 C CA . ILE A 62 ? 0.9318 0.6951 0.5813 0.0030 -0.2133 -0.0323 632 ILE A CA 486 C C . ILE A 62 ? 1.0068 0.7845 0.6073 0.0161 -0.1860 -0.0256 632 ILE A C 487 O O . ILE A 62 ? 1.0038 0.7970 0.6157 0.0088 -0.1609 -0.0015 632 ILE A O 488 C CB . ILE A 62 ? 0.8814 0.6406 0.5880 -0.0136 -0.2024 -0.0328 632 ILE A CB 489 C CG1 . ILE A 62 ? 0.8223 0.5978 0.5533 -0.0242 -0.1748 -0.0096 632 ILE A CG1 490 C CG2 . ILE A 62 ? 0.8917 0.6386 0.5877 -0.0072 -0.1981 -0.0503 632 ILE A CG2 491 C CD1 . ILE A 62 ? 0.8184 0.5945 0.6015 -0.0393 -0.1680 -0.0068 632 ILE A CD1 492 N N . SER A 63 ? 1.1681 0.9428 0.7199 0.0360 -0.1916 -0.0476 633 SER A N 493 C CA . SER A 63 ? 1.2808 1.0763 0.7930 0.0507 -0.1621 -0.0447 633 SER A CA 494 C C . SER A 63 ? 1.2063 1.0197 0.6508 0.0684 -0.1586 -0.0340 633 SER A C 495 O O . SER A 63 ? 1.2990 1.1026 0.6965 0.0864 -0.1842 -0.0561 633 SER A O 496 C CB . SER A 63 ? 1.3860 1.1703 0.8914 0.0653 -0.1672 -0.0793 633 SER A CB 497 O OG . SER A 63 ? 1.4950 1.2568 0.9775 0.0786 -0.2045 -0.1107 633 SER A OG 498 N N . VAL A 67 ? 1.6402 1.3125 0.9917 0.1480 -0.4094 -0.2402 637 VAL A N 499 C CA . VAL A 67 ? 1.6862 1.3638 1.0747 0.1384 -0.3723 -0.2352 637 VAL A CA 500 C C . VAL A 67 ? 1.6547 1.3211 1.1447 0.1008 -0.3702 -0.2135 637 VAL A C 501 O O . VAL A 67 ? 1.6617 1.3412 1.1818 0.0800 -0.3601 -0.1802 637 VAL A O 502 C CB . VAL A 67 ? 1.7425 1.4596 1.0897 0.1422 -0.3148 -0.2024 637 VAL A CB 503 C CG1 . VAL A 67 ? 1.7122 1.4335 1.0824 0.1442 -0.2864 -0.2115 637 VAL A CG1 504 C CG2 . VAL A 67 ? 1.7623 1.5023 1.0076 0.1740 -0.3082 -0.2055 637 VAL A CG2 505 N N . SER A 68 ? 1.5015 1.1445 1.0421 0.0942 -0.3799 -0.2319 638 SER A N 506 C CA . SER A 68 ? 1.3265 0.9615 0.9566 0.0606 -0.3731 -0.2089 638 SER A CA 507 C C . SER A 68 ? 1.3216 0.9522 0.9683 0.0586 -0.3475 -0.2071 638 SER A C 508 O O . SER A 68 ? 1.3887 1.0048 1.0078 0.0817 -0.3580 -0.2393 638 SER A O 509 C CB . SER A 68 ? 1.3172 0.9216 1.0114 0.0486 -0.4219 -0.2269 638 SER A CB 510 O OG . SER A 68 ? 1.4427 1.0561 1.1470 0.0421 -0.4418 -0.2186 638 SER A OG 511 N N . ILE A 69 ? 1.2042 0.8468 0.8955 0.0335 -0.3170 -0.1722 639 ILE A N 512 C CA . ILE A 69 ? 1.1018 0.7398 0.8118 0.0294 -0.2946 -0.1651 639 ILE A CA 513 C C . ILE A 69 ? 1.0039 0.6320 0.7851 -0.0006 -0.2925 -0.1396 639 ILE A C 514 O O . ILE A 69 ? 1.0310 0.6688 0.8478 -0.0197 -0.2946 -0.1210 639 ILE A O 515 C CB . ILE A 69 ? 1.1128 0.7832 0.7863 0.0359 -0.2504 -0.1463 639 ILE A CB 516 C CG1 . ILE A 69 ? 1.0368 0.7324 0.7238 0.0165 -0.2271 -0.1107 639 ILE A CG1 517 C CG2 . ILE A 69 ? 1.1424 0.8284 0.7467 0.0662 -0.2457 -0.1672 639 ILE A CG2 518 C CD1 . ILE A 69 ? 0.9958 0.7162 0.6706 0.0167 -0.1891 -0.0905 639 ILE A CD1 519 N N . GLN A 70 ? 0.9958 0.6079 0.7958 -0.0027 -0.2866 -0.1373 640 GLN A N 520 C CA . GLN A 70 ? 0.9128 0.5217 0.7644 -0.0287 -0.2741 -0.1054 640 GLN A CA 521 C C . GLN A 70 ? 0.7837 0.4257 0.6184 -0.0346 -0.2334 -0.0780 640 GLN A C 522 O O . GLN A 70 ? 0.7679 0.4263 0.5602 -0.0188 -0.2148 -0.0832 640 GLN A O 523 C CB . GLN A 70 ? 0.9776 0.5535 0.8502 -0.0268 -0.2863 -0.1106 640 GLN A CB 524 C CG . GLN A 70 ? 1.0384 0.5746 0.9433 -0.0236 -0.3326 -0.1374 640 GLN A CG 525 C CD . GLN A 70 ? 1.0782 0.6085 1.0489 -0.0523 -0.3493 -0.1171 640 GLN A CD 526 O OE1 . GLN A 70 ? 1.1823 0.7089 1.1989 -0.0760 -0.3389 -0.0830 640 GLN A OE1 527 N NE2 . GLN A 70 ? 1.1962 0.7291 1.1723 -0.0500 -0.3744 -0.1358 640 GLN A NE2 528 N N . VAL A 71 ? 0.7428 0.3969 0.6141 -0.0567 -0.2206 -0.0497 641 VAL A N 529 C CA . VAL A 71 ? 0.7074 0.3881 0.5691 -0.0620 -0.1868 -0.0265 641 VAL A CA 530 C C . VAL A 71 ? 0.6907 0.3697 0.5874 -0.0804 -0.1762 0.0001 641 VAL A C 531 O O . VAL A 71 ? 0.6750 0.3379 0.6133 -0.0941 -0.1923 0.0072 641 VAL A O 532 C CB . VAL A 71 ? 0.6881 0.3979 0.5453 -0.0637 -0.1766 -0.0209 641 VAL A CB 533 C CG1 . VAL A 71 ? 0.7353 0.4492 0.5481 -0.0452 -0.1821 -0.0385 641 VAL A CG1 534 C CG2 . VAL A 71 ? 0.7092 0.4243 0.6132 -0.0786 -0.1902 -0.0151 641 VAL A CG2 535 N N . ALA A 72 ? 0.6570 0.3535 0.5370 -0.0802 -0.1500 0.0156 642 ALA A N 536 C CA . ALA A 72 ? 0.6810 0.3857 0.5795 -0.0942 -0.1336 0.0430 642 ALA A CA 537 C C . ALA A 72 ? 0.6304 0.3710 0.5315 -0.0967 -0.1127 0.0503 642 ALA A C 538 O O . ALA A 72 ? 0.6630 0.4162 0.5380 -0.0853 -0.1045 0.0405 642 ALA A O 539 C CB . ALA A 72 ? 0.6986 0.3922 0.5701 -0.0870 -0.1257 0.0498 642 ALA A CB 540 N N . VAL A 73 ? 0.6273 0.3855 0.5663 -0.1113 -0.1047 0.0677 643 VAL A N 541 C CA . VAL A 73 ? 0.6301 0.4249 0.5818 -0.1114 -0.0872 0.0703 643 VAL A CA 542 C C . VAL A 73 ? 0.6904 0.5073 0.6393 -0.1149 -0.0597 0.0920 643 VAL A C 543 O O . VAL A 73 ? 0.6887 0.5096 0.6658 -0.1295 -0.0529 0.1155 643 VAL A O 544 C CB . VAL A 73 ? 0.6604 0.4689 0.6655 -0.1222 -0.0988 0.0694 643 VAL A CB 545 C CG1 . VAL A 73 ? 0.6102 0.4569 0.6299 -0.1175 -0.0827 0.0675 643 VAL A CG1 546 C CG2 . VAL A 73 ? 0.6527 0.4362 0.6543 -0.1171 -0.1312 0.0473 643 VAL A CG2 547 N N . LYS A 74 ? 0.6481 0.4805 0.5648 -0.1012 -0.0450 0.0846 644 LYS A N 548 C CA . LYS A 74 ? 0.6620 0.5184 0.5627 -0.0974 -0.0199 0.0979 644 LYS A CA 549 C C . LYS A 74 ? 0.6686 0.5680 0.6027 -0.0967 -0.0024 0.0968 644 LYS A C 550 O O . LYS A 74 ? 0.6255 0.5323 0.5750 -0.0901 -0.0110 0.0778 644 LYS A O 551 C CB . LYS A 74 ? 0.6565 0.5040 0.5092 -0.0800 -0.0205 0.0836 644 LYS A CB 552 C CG . LYS A 74 ? 0.7861 0.6510 0.6063 -0.0706 -0.0012 0.0918 644 LYS A CG 553 C CD . LYS A 74 ? 0.8160 0.6632 0.5951 -0.0548 -0.0119 0.0762 644 LYS A CD 554 C CE . LYS A 74 ? 1.0041 0.8651 0.7423 -0.0425 0.0017 0.0817 644 LYS A CE 555 N NZ . LYS A 74 ? 1.1224 0.9606 0.8256 -0.0290 -0.0157 0.0689 644 LYS A NZ 556 N N . MET A 75 ? 0.7042 0.6331 0.6509 -0.1026 0.0225 0.1188 645 MET A N 557 C CA . MET A 75 ? 0.7306 0.7090 0.7181 -0.1013 0.0438 0.1192 645 MET A CA 558 C C . MET A 75 ? 0.7864 0.8018 0.7554 -0.0971 0.0795 0.1400 645 MET A C 559 O O . MET A 75 ? 0.8111 0.8114 0.7464 -0.1026 0.0859 0.1641 645 MET A O 560 C CB . MET A 75 ? 0.7248 0.7122 0.7854 -0.1211 0.0346 0.1292 645 MET A CB 561 C CG . MET A 75 ? 0.7759 0.7594 0.8666 -0.1443 0.0401 0.1647 645 MET A CG 562 S SD . MET A 75 ? 0.8340 0.8137 1.0167 -0.1683 0.0143 0.1703 645 MET A SD 563 C CE . MET A 75 ? 0.7966 0.7124 0.9455 -0.1625 -0.0323 0.1410 645 MET A CE 564 N N . LEU A 76 ? 0.8233 0.8879 0.8139 -0.0857 0.1022 0.1309 646 LEU A N 565 C CA . LEU A 76 ? 0.8980 1.0104 0.8717 -0.0780 0.1421 0.1489 646 LEU A CA 566 C C . LEU A 76 ? 0.9353 1.0830 0.9756 -0.1024 0.1640 0.1867 646 LEU A C 567 O O . LEU A 76 ? 0.9306 1.0764 1.0421 -0.1192 0.1473 0.1865 646 LEU A O 568 C CB . LEU A 76 ? 0.9136 1.0672 0.8834 -0.0500 0.1572 0.1166 646 LEU A CB 569 C CG . LEU A 76 ? 0.9411 1.0645 0.8537 -0.0251 0.1361 0.0797 646 LEU A CG 570 C CD1 . LEU A 76 ? 0.9459 1.1026 0.8798 -0.0001 0.1404 0.0439 646 LEU A CD1 571 C CD2 . LEU A 76 ? 0.9763 1.0874 0.8077 -0.0124 0.1435 0.0859 646 LEU A CD2 572 N N . LYS A 77 ? 1.0691 1.2504 1.0863 -0.1034 0.2006 0.2198 647 LYS A N 573 C CA . LYS A 77 ? 1.0706 1.3007 1.1563 -0.1256 0.2319 0.2616 647 LYS A CA 574 C C . LYS A 77 ? 1.0674 1.3680 1.2062 -0.1119 0.2592 0.2436 647 LYS A C 575 O O . LYS A 77 ? 1.0286 1.3433 1.1296 -0.0808 0.2623 0.2040 647 LYS A O 576 C CB . LYS A 77 ? 1.0983 1.3445 1.1344 -0.1296 0.2656 0.3082 647 LYS A CB 577 N N . GLU A 78 ? 1.0881 1.4320 1.3215 -0.1347 0.2762 0.2715 648 GLU A N 578 C CA . GLU A 78 ? 1.0667 1.4834 1.3707 -0.1239 0.3017 0.2567 648 GLU A CA 579 C C . GLU A 78 ? 1.1192 1.6068 1.3809 -0.0990 0.3585 0.2638 648 GLU A C 580 O O . GLU A 78 ? 1.1243 1.6160 1.3205 -0.0633 0.3611 0.2233 648 GLU A O 581 C CB . GLU A 78 ? 1.0776 1.5229 1.5043 -0.1576 0.3023 0.2878 648 GLU A CB 582 N N . ASP A 81 ? 1.0682 1.5135 0.9950 0.0800 0.3222 0.0445 651 ASP A N 583 C CA . ASP A 81 ? 1.1925 1.6698 1.1221 0.1213 0.3238 -0.0101 651 ASP A CA 584 C C . ASP A 81 ? 1.2028 1.6174 1.1449 0.1295 0.2682 -0.0539 651 ASP A C 585 O O . ASP A 81 ? 1.3046 1.6545 1.2384 0.1059 0.2328 -0.0419 651 ASP A O 586 C CB . ASP A 81 ? 1.2746 1.7816 1.1067 0.1585 0.3510 -0.0256 651 ASP A CB 587 N N . SER A 82 ? 1.2243 1.6604 1.1898 0.1634 0.2616 -0.1028 652 SER A N 588 C CA . SER A 82 ? 1.2161 1.5962 1.2016 0.1728 0.2093 -0.1424 652 SER A CA 589 C C . SER A 82 ? 1.2481 1.5654 1.1558 0.1820 0.1759 -0.1598 652 SER A C 590 O O . SER A 82 ? 1.1618 1.4208 1.0868 0.1714 0.1327 -0.1687 652 SER A O 591 C CB . SER A 82 ? 1.1855 1.6040 1.2199 0.2096 0.2091 -0.1910 652 SER A CB 592 N N . SER A 83 ? 1.2550 1.5871 1.0798 0.2020 0.1955 -0.1635 653 SER A N 593 C CA . SER A 83 ? 1.2500 1.5258 1.0006 0.2077 0.1644 -0.1739 653 SER A CA 594 C C . SER A 83 ? 1.2088 1.4355 0.9481 0.1677 0.1504 -0.1291 653 SER A C 595 O O . SER A 83 ? 1.1225 1.2924 0.8454 0.1631 0.1117 -0.1389 653 SER A O 596 C CB . SER A 83 ? 1.3228 1.6302 0.9817 0.2409 0.1886 -0.1866 653 SER A CB 597 N N . GLU A 84 ? 1.1866 1.4371 0.9410 0.1399 0.1811 -0.0812 654 GLU A N 598 C CA . GLU A 84 ? 1.1822 1.3890 0.9334 0.1034 0.1686 -0.0400 654 GLU A CA 599 C C . GLU A 84 ? 1.0243 1.1900 0.8385 0.0828 0.1336 -0.0448 654 GLU A C 600 O O . GLU A 84 ? 1.0355 1.1499 0.8345 0.0688 0.1055 -0.0385 654 GLU A O 601 C CB . GLU A 84 ? 1.3011 1.5428 1.0689 0.0782 0.2065 0.0115 654 GLU A CB 602 C CG . GLU A 84 ? 1.4576 1.7553 1.1742 0.0939 0.2527 0.0300 654 GLU A CG 603 C CD . GLU A 84 ? 1.5833 1.8585 1.1966 0.1158 0.2452 0.0228 654 GLU A CD 604 O OE1 . GLU A 84 ? 1.7220 1.9374 1.3081 0.1036 0.2116 0.0290 654 GLU A OE1 605 O OE2 . GLU A 84 ? 1.6931 2.0133 1.2515 0.1470 0.2728 0.0104 654 GLU A OE2 606 N N . ARG A 85 ? 0.9566 1.1501 0.8409 0.0825 0.1376 -0.0543 655 ARG A N 607 C CA . ARG A 85 ? 0.8607 1.0235 0.8040 0.0692 0.1051 -0.0617 655 ARG A CA 608 C C . ARG A 85 ? 0.7816 0.8952 0.7065 0.0813 0.0664 -0.0905 655 ARG A C 609 O O . ARG A 85 ? 0.7231 0.7926 0.6523 0.0627 0.0408 -0.0793 655 ARG A O 610 C CB . ARG A 85 ? 0.8767 1.0856 0.8926 0.0782 0.1157 -0.0753 655 ARG A CB 611 C CG . ARG A 85 ? 0.8873 1.0743 0.9679 0.0624 0.0863 -0.0739 655 ARG A CG 612 N N . GLU A 86 ? 0.7961 0.9196 0.7013 0.1130 0.0631 -0.1269 656 GLU A N 613 C CA . GLU A 86 ? 0.8516 0.9310 0.7498 0.1258 0.0246 -0.1558 656 GLU A CA 614 C C . GLU A 86 ? 0.7873 0.8244 0.6349 0.1146 0.0088 -0.1433 656 GLU A C 615 O O . GLU A 86 ? 0.7166 0.7124 0.5812 0.1050 -0.0219 -0.1446 656 GLU A O 616 C CB . GLU A 86 ? 0.9745 1.0741 0.8619 0.1657 0.0220 -0.2025 656 GLU A CB 617 C CG . GLU A 86 ? 1.0764 1.1322 0.9845 0.1794 -0.0232 -0.2363 656 GLU A CG 618 C CD . GLU A 86 ? 1.1173 1.1604 1.1032 0.1724 -0.0449 -0.2385 656 GLU A CD 619 O OE1 . GLU A 86 ? 1.1631 1.2191 1.1841 0.1996 -0.0553 -0.2747 656 GLU A OE1 620 O OE2 . GLU A 86 ? 1.0403 1.0600 1.0502 0.1422 -0.0536 -0.2056 656 GLU A OE2 621 N N . ALA A 87 ? 0.7696 0.8192 0.5589 0.1159 0.0302 -0.1286 657 ALA A N 622 C CA . ALA A 87 ? 0.8465 0.8584 0.5904 0.1058 0.0151 -0.1145 657 ALA A CA 623 C C . ALA A 87 ? 0.7244 0.7079 0.4945 0.0732 0.0070 -0.0829 657 ALA A C 624 O O . ALA A 87 ? 0.6980 0.6447 0.4626 0.0660 -0.0170 -0.0820 657 ALA A O 625 C CB . ALA A 87 ? 0.9415 0.9731 0.6171 0.1139 0.0396 -0.0997 657 ALA A CB 626 N N . LEU A 88 ? 0.6911 0.6938 0.4935 0.0550 0.0258 -0.0592 658 LEU A N 627 C CA . LEU A 88 ? 0.6561 0.6325 0.4830 0.0281 0.0151 -0.0355 658 LEU A CA 628 C C . LEU A 88 ? 0.5690 0.5221 0.4335 0.0256 -0.0116 -0.0482 658 LEU A C 629 O O . LEU A 88 ? 0.5671 0.4905 0.4302 0.0121 -0.0267 -0.0373 658 LEU A O 630 C CB . LEU A 88 ? 0.6352 0.6362 0.4923 0.0101 0.0361 -0.0099 658 LEU A CB 631 C CG . LEU A 88 ? 0.6757 0.6496 0.5454 -0.0150 0.0257 0.0138 658 LEU A CG 632 C CD1 . LEU A 88 ? 0.6988 0.6405 0.5238 -0.0197 0.0180 0.0250 658 LEU A CD1 633 C CD2 . LEU A 88 ? 0.7411 0.7413 0.6453 -0.0312 0.0445 0.0373 658 LEU A CD2 634 N N . MET A 89 ? 0.5548 0.5227 0.4531 0.0396 -0.0168 -0.0696 659 MET A N 635 C CA . MET A 89 ? 0.5651 0.5088 0.4993 0.0392 -0.0445 -0.0790 659 MET A CA 636 C C . MET A 89 ? 0.5621 0.4743 0.4794 0.0446 -0.0664 -0.0896 659 MET A C 637 O O . MET A 89 ? 0.5203 0.4070 0.4544 0.0326 -0.0839 -0.0790 659 MET A O 638 C CB . MET A 89 ? 0.5681 0.5317 0.5460 0.0568 -0.0494 -0.1022 659 MET A CB 639 C CG . MET A 89 ? 0.6136 0.6027 0.6331 0.0483 -0.0394 -0.0909 659 MET A CG 640 S SD . MET A 89 ? 0.6230 0.5833 0.6613 0.0218 -0.0586 -0.0627 659 MET A SD 641 C CE . MET A 89 ? 0.5473 0.4710 0.6012 0.0287 -0.0921 -0.0718 659 MET A CE 642 N N . SER A 90 ? 0.5600 0.4766 0.4450 0.0632 -0.0656 -0.1099 660 SER A N 643 C CA . SER A 90 ? 0.5857 0.4734 0.4605 0.0685 -0.0902 -0.1220 660 SER A CA 644 C C . SER A 90 ? 0.6384 0.5068 0.4961 0.0488 -0.0908 -0.0964 660 SER A C 645 O O . SER A 90 ? 0.5691 0.4151 0.4499 0.0409 -0.1100 -0.0925 660 SER A O 646 C CB . SER A 90 ? 0.5997 0.4962 0.4352 0.0949 -0.0920 -0.1509 660 SER A CB 647 O OG . SER A 90 ? 0.6555 0.5655 0.5173 0.1171 -0.0986 -0.1824 660 SER A OG 648 N N . GLU A 91 ? 0.6068 0.4856 0.4303 0.0408 -0.0694 -0.0774 661 GLU A N 649 C CA . GLU A 91 ? 0.5961 0.4571 0.4063 0.0249 -0.0705 -0.0561 661 GLU A CA 650 C C . GLU A 91 ? 0.5859 0.4371 0.4305 0.0078 -0.0753 -0.0412 661 GLU A C 651 O O . GLU A 91 ? 0.5657 0.4009 0.4150 0.0006 -0.0847 -0.0338 661 GLU A O 652 C CB . GLU A 91 ? 0.6336 0.5047 0.4094 0.0192 -0.0495 -0.0373 661 GLU A CB 653 C CG . GLU A 91 ? 0.6692 0.5201 0.4343 0.0048 -0.0524 -0.0173 661 GLU A CG 654 C CD . GLU A 91 ? 0.7631 0.6192 0.4996 -0.0009 -0.0357 0.0036 661 GLU A CD 655 O OE1 . GLU A 91 ? 0.8897 0.7650 0.5997 0.0089 -0.0214 0.0042 661 GLU A OE1 656 O OE2 . GLU A 91 ? 0.7036 0.5448 0.4448 -0.0147 -0.0370 0.0203 661 GLU A OE2 657 N N . LEU A 92 ? 0.5989 0.4627 0.4658 0.0027 -0.0681 -0.0363 662 LEU A N 658 C CA . LEU A 92 ? 0.5480 0.4030 0.4394 -0.0100 -0.0753 -0.0232 662 LEU A CA 659 C C . LEU A 92 ? 0.5465 0.3866 0.4622 -0.0082 -0.0939 -0.0264 662 LEU A C 660 O O . LEU A 92 ? 0.5163 0.3456 0.4332 -0.0178 -0.0974 -0.0119 662 LEU A O 661 C CB . LEU A 92 ? 0.5138 0.3849 0.4303 -0.0121 -0.0712 -0.0214 662 LEU A CB 662 C CG . LEU A 92 ? 0.4954 0.3574 0.4336 -0.0206 -0.0840 -0.0102 662 LEU A CG 663 C CD1 . LEU A 92 ? 0.5496 0.3984 0.4642 -0.0323 -0.0834 0.0054 662 LEU A CD1 664 C CD2 . LEU A 92 ? 0.5504 0.4308 0.5164 -0.0205 -0.0827 -0.0117 662 LEU A CD2 665 N N . LYS A 93 ? 0.5295 0.3706 0.4676 0.0047 -0.1052 -0.0452 663 LYS A N 666 C CA . LYS A 93 ? 0.5585 0.3824 0.5323 0.0052 -0.1272 -0.0470 663 LYS A CA 667 C C . LYS A 93 ? 0.5950 0.4076 0.5626 0.0008 -0.1326 -0.0428 663 LYS A C 668 O O . LYS A 93 ? 0.5786 0.3830 0.5697 -0.0105 -0.1385 -0.0246 663 LYS A O 669 C CB . LYS A 93 ? 0.5229 0.3457 0.5234 0.0234 -0.1434 -0.0748 663 LYS A CB 670 C CG . LYS A 93 ? 0.5581 0.3933 0.5825 0.0300 -0.1427 -0.0807 663 LYS A CG 671 C CD . LYS A 93 ? 0.5661 0.4052 0.6085 0.0549 -0.1554 -0.1175 663 LYS A CD 672 C CE . LYS A 93 ? 0.5557 0.4175 0.6185 0.0668 -0.1486 -0.1297 663 LYS A CE 673 N NZ . LYS A 93 ? 0.5956 0.4671 0.6660 0.0960 -0.1562 -0.1708 663 LYS A NZ 674 N N . MET A 94 ? 0.5948 0.4099 0.5304 0.0095 -0.1290 -0.0562 664 MET A N 675 C CA . MET A 94 ? 0.5750 0.3810 0.5087 0.0068 -0.1368 -0.0538 664 MET A CA 676 C C . MET A 94 ? 0.5740 0.3817 0.5049 -0.0091 -0.1237 -0.0276 664 MET A C 677 O O . MET A 94 ? 0.5758 0.3809 0.5358 -0.0161 -0.1300 -0.0174 664 MET A O 678 C CB . MET A 94 ? 0.6051 0.4123 0.4966 0.0203 -0.1368 -0.0700 664 MET A CB 679 C CG . MET A 94 ? 0.7016 0.4995 0.5923 0.0195 -0.1483 -0.0688 664 MET A CG 680 S SD . MET A 94 ? 0.9098 0.7065 0.7383 0.0350 -0.1484 -0.0798 664 MET A SD 681 C CE . MET A 94 ? 0.9883 0.7929 0.7823 0.0224 -0.1180 -0.0528 664 MET A CE 682 N N . MET A 95 ? 0.5368 0.3508 0.4372 -0.0137 -0.1063 -0.0180 665 MET A N 683 C CA . MET A 95 ? 0.5956 0.4102 0.4867 -0.0235 -0.0963 -0.0008 665 MET A CA 684 C C . MET A 95 ? 0.6386 0.4561 0.5513 -0.0322 -0.0954 0.0160 665 MET A C 685 O O . MET A 95 ? 0.6536 0.4754 0.5655 -0.0366 -0.0888 0.0280 665 MET A O 686 C CB . MET A 95 ? 0.6181 0.4339 0.4762 -0.0255 -0.0841 0.0023 665 MET A CB 687 C CG . MET A 95 ? 0.6616 0.4741 0.4926 -0.0190 -0.0825 -0.0042 665 MET A CG 688 S SD . MET A 95 ? 0.7334 0.5360 0.5597 -0.0139 -0.0922 -0.0069 665 MET A SD 689 C CE . MET A 95 ? 0.8013 0.6009 0.6252 -0.0215 -0.0842 0.0052 665 MET A CE 690 N N . THR A 96 ? 0.5701 0.3870 0.5012 -0.0326 -0.1019 0.0172 666 THR A N 691 C CA . THR A 96 ? 0.5694 0.3861 0.5198 -0.0401 -0.1048 0.0376 666 THR A CA 692 C C . THR A 96 ? 0.6168 0.4323 0.6046 -0.0448 -0.1112 0.0490 666 THR A C 693 O O . THR A 96 ? 0.7079 0.5300 0.7025 -0.0527 -0.1045 0.0735 666 THR A O 694 C CB . THR A 96 ? 0.5527 0.3654 0.5214 -0.0384 -0.1159 0.0375 666 THR A CB 695 O OG1 . THR A 96 ? 0.5657 0.3719 0.5661 -0.0303 -0.1306 0.0197 666 THR A OG1 696 C CG2 . THR A 96 ? 0.5539 0.3729 0.4997 -0.0365 -0.1099 0.0310 666 THR A CG2 697 N N . GLN A 97 ? 0.6022 0.4112 0.6149 -0.0394 -0.1247 0.0317 667 GLN A N 698 C CA . GLN A 97 ? 0.6151 0.4216 0.6783 -0.0448 -0.1369 0.0396 667 GLN A CA 699 C C . GLN A 97 ? 0.6312 0.4491 0.6976 -0.0468 -0.1291 0.0421 667 GLN A C 700 O O . GLN A 97 ? 0.5751 0.3995 0.6896 -0.0552 -0.1327 0.0575 667 GLN A O 701 C CB . GLN A 97 ? 0.6570 0.4474 0.7529 -0.0354 -0.1636 0.0146 667 GLN A CB 702 C CG . GLN A 97 ? 0.8467 0.6265 0.9576 -0.0318 -0.1752 0.0118 667 GLN A CG 703 C CD . GLN A 97 ? 0.9783 0.7550 1.1196 -0.0462 -0.1759 0.0479 667 GLN A CD 704 O OE1 . GLN A 97 ? 1.0107 0.7831 1.2009 -0.0571 -0.1851 0.0679 667 GLN A OE1 705 N NE2 . GLN A 97 ? 0.9315 0.7111 1.0457 -0.0466 -0.1675 0.0588 667 GLN A NE2 706 N N . LEU A 98 ? 0.6010 0.4223 0.6233 -0.0397 -0.1190 0.0294 668 LEU A N 707 C CA . LEU A 98 ? 0.6124 0.4419 0.6407 -0.0378 -0.1168 0.0265 668 LEU A CA 708 C C . LEU A 98 ? 0.6322 0.4836 0.6742 -0.0455 -0.0968 0.0504 668 LEU A C 709 O O . LEU A 98 ? 0.5440 0.4092 0.6260 -0.0474 -0.0974 0.0547 668 LEU A O 710 C CB . LEU A 98 ? 0.6134 0.4361 0.5902 -0.0277 -0.1139 0.0096 668 LEU A CB 711 C CG . LEU A 98 ? 0.6453 0.4699 0.6200 -0.0216 -0.1173 0.0024 668 LEU A CG 712 C CD1 . LEU A 98 ? 0.6589 0.4772 0.6677 -0.0159 -0.1429 -0.0127 668 LEU A CD1 713 C CD2 . LEU A 98 ? 0.6499 0.4642 0.5704 -0.0150 -0.1122 -0.0046 668 LEU A CD2 714 N N . GLY A 99 ? 0.6348 0.4921 0.6461 -0.0486 -0.0802 0.0651 669 GLY A N 715 C CA . GLY A 99 ? 0.6108 0.4912 0.6134 -0.0497 -0.0580 0.0824 669 GLY A CA 716 C C . GLY A 99 ? 0.6377 0.5172 0.5990 -0.0388 -0.0512 0.0643 669 GLY A C 717 O O . GLY A 99 ? 0.6401 0.5022 0.5868 -0.0336 -0.0631 0.0452 669 GLY A O 718 N N . SER A 100 ? 0.5774 0.4758 0.5195 -0.0342 -0.0325 0.0711 670 SER A N 719 C CA . SER A 100 ? 0.6085 0.5027 0.5142 -0.0225 -0.0290 0.0530 670 SER A CA 720 C C . SER A 100 ? 0.5541 0.4686 0.4878 -0.0143 -0.0216 0.0473 670 SER A C 721 O O . SER A 100 ? 0.5866 0.5285 0.5638 -0.0182 -0.0109 0.0622 670 SER A O 722 C CB . SER A 100 ? 0.6738 0.5725 0.5342 -0.0175 -0.0185 0.0560 670 SER A CB 723 O OG . SER A 100 ? 0.7644 0.6960 0.6314 -0.0149 0.0026 0.0735 670 SER A OG 724 N N . HIS A 101 ? 0.5356 0.4367 0.4503 -0.0034 -0.0285 0.0270 671 HIS A N 725 C CA . HIS A 101 ? 0.4996 0.4185 0.4408 0.0084 -0.0242 0.0173 671 HIS A CA 726 C C . HIS A 101 ? 0.5416 0.4428 0.4464 0.0226 -0.0293 -0.0033 671 HIS A C 727 O O . HIS A 101 ? 0.5850 0.4536 0.4567 0.0193 -0.0431 -0.0090 671 HIS A O 728 C CB . HIS A 101 ? 0.4626 0.3746 0.4464 0.0051 -0.0430 0.0141 671 HIS A CB 729 C CG . HIS A 101 ? 0.4436 0.3798 0.4725 0.0156 -0.0412 0.0072 671 HIS A CG 730 N ND1 . HIS A 101 ? 0.4471 0.3697 0.4671 0.0303 -0.0528 -0.0115 671 HIS A ND1 731 C CD2 . HIS A 101 ? 0.4363 0.4111 0.5267 0.0136 -0.0297 0.0177 671 HIS A CD2 732 C CE1 . HIS A 101 ? 0.4439 0.3957 0.5170 0.0390 -0.0500 -0.0157 671 HIS A CE1 733 N NE2 . HIS A 101 ? 0.4331 0.4194 0.5517 0.0284 -0.0345 0.0022 671 HIS A NE2 734 N N . GLU A 102 ? 0.5499 0.4739 0.4658 0.0386 -0.0183 -0.0144 672 GLU A N 735 C CA . GLU A 102 ? 0.6565 0.5623 0.5447 0.0554 -0.0264 -0.0379 672 GLU A CA 736 C C . GLU A 102 ? 0.6143 0.4772 0.5011 0.0545 -0.0548 -0.0468 672 GLU A C 737 O O . GLU A 102 ? 0.6664 0.4986 0.5257 0.0582 -0.0680 -0.0575 672 GLU A O 738 C CB . GLU A 102 ? 0.7300 0.6723 0.6396 0.0774 -0.0101 -0.0527 672 GLU A CB 739 C CG . GLU A 102 ? 0.8910 0.8208 0.7619 0.0982 -0.0139 -0.0796 672 GLU A CG 740 C CD . GLU A 102 ? 1.0301 0.9857 0.9264 0.1256 -0.0069 -0.1042 672 GLU A CD 741 O OE1 . GLU A 102 ? 1.0750 1.0749 1.0187 0.1295 0.0120 -0.0971 672 GLU A OE1 742 O OE2 . GLU A 102 ? 0.9738 0.9057 0.8479 0.1443 -0.0218 -0.1325 672 GLU A OE2 743 N N . ASN A 103 ? 0.6021 0.4640 0.5205 0.0500 -0.0651 -0.0407 673 ASN A N 744 C CA . ASN A 103 ? 0.6087 0.4344 0.5224 0.0499 -0.0912 -0.0431 673 ASN A CA 745 C C . ASN A 103 ? 0.6093 0.4125 0.5005 0.0344 -0.1011 -0.0297 673 ASN A C 746 O O . ASN A 103 ? 0.5757 0.3592 0.4646 0.0356 -0.1201 -0.0279 673 ASN A O 747 C CB . ASN A 103 ? 0.5573 0.3963 0.5161 0.0612 -0.1011 -0.0500 673 ASN A CB 748 C CG . ASN A 103 ? 0.5624 0.4274 0.5469 0.0806 -0.0901 -0.0666 673 ASN A CG 749 O OD1 . ASN A 103 ? 0.5918 0.4984 0.6227 0.0857 -0.0763 -0.0668 673 ASN A OD1 750 N ND2 . ASN A 103 ? 0.5986 0.4405 0.5589 0.0924 -0.0974 -0.0813 673 ASN A ND2 751 N N . ILE A 104 ? 0.5929 0.4006 0.4657 0.0227 -0.0889 -0.0212 674 ILE A N 752 C CA . ILE A 104 ? 0.6195 0.4103 0.4693 0.0107 -0.0939 -0.0119 674 ILE A CA 753 C C . ILE A 104 ? 0.6110 0.3894 0.4334 0.0050 -0.0893 -0.0102 674 ILE A C 754 O O . ILE A 104 ? 0.5675 0.3564 0.3871 0.0087 -0.0807 -0.0155 674 ILE A O 755 C CB . ILE A 104 ? 0.6275 0.4369 0.4952 0.0027 -0.0879 -0.0051 674 ILE A CB 756 C CG1 . ILE A 104 ? 0.6717 0.4941 0.5790 0.0073 -0.0966 -0.0083 674 ILE A CG1 757 C CG2 . ILE A 104 ? 0.7183 0.5149 0.5646 -0.0051 -0.0918 -0.0007 674 ILE A CG2 758 C CD1 . ILE A 104 ? 0.7132 0.5159 0.6125 0.0134 -0.1189 -0.0145 674 ILE A CD1 759 N N . VAL A 105 ? 0.5834 0.3422 0.3870 -0.0029 -0.0954 -0.0029 675 VAL A N 760 C CA . VAL A 105 ? 0.5701 0.3216 0.3607 -0.0119 -0.0927 0.0009 675 VAL A CA 761 C C . VAL A 105 ? 0.6219 0.3935 0.4164 -0.0182 -0.0823 0.0049 675 VAL A C 762 O O . VAL A 105 ? 0.6609 0.4370 0.4574 -0.0223 -0.0811 0.0099 675 VAL A O 763 C CB . VAL A 105 ? 0.6840 0.4153 0.4637 -0.0200 -0.0988 0.0127 675 VAL A CB 764 C CG1 . VAL A 105 ? 0.6925 0.4211 0.4737 -0.0311 -0.0970 0.0172 675 VAL A CG1 765 C CG2 . VAL A 105 ? 0.6855 0.3913 0.4645 -0.0143 -0.1131 0.0134 675 VAL A CG2 766 N N . ASN A 106 ? 0.6156 0.3985 0.4093 -0.0166 -0.0767 0.0019 676 ASN A N 767 C CA . ASN A 106 ? 0.6069 0.4068 0.4064 -0.0215 -0.0694 0.0093 676 ASN A CA 768 C C . ASN A 106 ? 0.6097 0.4044 0.4031 -0.0295 -0.0730 0.0126 676 ASN A C 769 O O . ASN A 106 ? 0.6063 0.3887 0.3905 -0.0309 -0.0799 0.0080 676 ASN A O 770 C CB . ASN A 106 ? 0.6103 0.4283 0.4067 -0.0149 -0.0600 0.0100 676 ASN A CB 771 C CG . ASN A 106 ? 0.6137 0.4465 0.4295 -0.0073 -0.0531 0.0082 676 ASN A CG 772 O OD1 . ASN A 106 ? 0.5905 0.4302 0.4337 -0.0112 -0.0537 0.0143 676 ASN A OD1 773 N ND2 . ASN A 106 ? 0.5741 0.4129 0.3811 0.0054 -0.0487 -0.0030 676 ASN A ND2 774 N N . LEU A 107 ? 0.6135 0.4177 0.4197 -0.0341 -0.0711 0.0193 677 LEU A N 775 C CA . LEU A 107 ? 0.6222 0.4278 0.4321 -0.0398 -0.0747 0.0224 677 LEU A CA 776 C C . LEU A 107 ? 0.6346 0.4435 0.4323 -0.0381 -0.0777 0.0253 677 LEU A C 777 O O . LEU A 107 ? 0.6050 0.4237 0.3985 -0.0344 -0.0716 0.0324 677 LEU A O 778 C CB . LEU A 107 ? 0.6447 0.4584 0.4757 -0.0410 -0.0748 0.0255 677 LEU A CB 779 C CG . LEU A 107 ? 0.6355 0.4535 0.4792 -0.0443 -0.0790 0.0257 677 LEU A CG 780 C CD1 . LEU A 107 ? 0.6076 0.4274 0.4524 -0.0461 -0.0743 0.0213 677 LEU A CD1 781 C CD2 . LEU A 107 ? 0.7029 0.5260 0.5705 -0.0422 -0.0836 0.0273 677 LEU A CD2 782 N N . LEU A 108 ? 0.6363 0.4384 0.4290 -0.0406 -0.0875 0.0211 678 LEU A N 783 C CA . LEU A 108 ? 0.6694 0.4719 0.4440 -0.0368 -0.0967 0.0211 678 LEU A CA 784 C C . LEU A 108 ? 0.6380 0.4447 0.4287 -0.0413 -0.1064 0.0283 678 LEU A C 785 O O . LEU A 108 ? 0.6560 0.4648 0.4300 -0.0373 -0.1135 0.0350 678 LEU A O 786 C CB . LEU A 108 ? 0.6712 0.4594 0.4315 -0.0334 -0.1097 0.0060 678 LEU A CB 787 C CG . LEU A 108 ? 0.7068 0.4880 0.4516 -0.0246 -0.1052 -0.0051 678 LEU A CG 788 C CD1 . LEU A 108 ? 0.7109 0.4726 0.4480 -0.0202 -0.1252 -0.0233 678 LEU A CD1 789 C CD2 . LEU A 108 ? 0.7169 0.5149 0.4384 -0.0130 -0.0911 -0.0025 678 LEU A CD2 790 N N . GLY A 109 ? 0.6391 0.4486 0.4609 -0.0479 -0.1068 0.0271 679 GLY A N 791 C CA . GLY A 109 ? 0.5984 0.4150 0.4455 -0.0498 -0.1164 0.0306 679 GLY A CA 792 C C . GLY A 109 ? 0.5536 0.3805 0.4349 -0.0545 -0.1106 0.0259 679 GLY A C 793 O O . GLY A 109 ? 0.5355 0.3626 0.4149 -0.0572 -0.0989 0.0239 679 GLY A O 794 N N . ALA A 110 ? 0.5600 0.3977 0.4725 -0.0543 -0.1186 0.0254 680 ALA A N 795 C CA . ALA A 110 ? 0.5462 0.4034 0.4948 -0.0561 -0.1087 0.0209 680 ALA A CA 796 C C . ALA A 110 ? 0.5346 0.4054 0.5243 -0.0565 -0.1225 0.0187 680 ALA A C 797 O O . ALA A 110 ? 0.5427 0.4049 0.5312 -0.0528 -0.1422 0.0208 680 ALA A O 798 C CB . ALA A 110 ? 0.5663 0.4311 0.5182 -0.0481 -0.0967 0.0166 680 ALA A CB 799 N N . CYS A 111 ? 0.5247 0.4190 0.5519 -0.0606 -0.1114 0.0166 681 CYS A N 800 C CA . CYS A 111 ? 0.5647 0.4812 0.6468 -0.0609 -0.1213 0.0132 681 CYS A CA 801 C C . CYS A 111 ? 0.5514 0.4994 0.6615 -0.0524 -0.0985 0.0069 681 CYS A C 802 O O . CYS A 111 ? 0.5588 0.5227 0.6647 -0.0556 -0.0739 0.0106 681 CYS A O 803 C CB . CYS A 111 ? 0.5668 0.4886 0.6779 -0.0747 -0.1275 0.0175 681 CYS A CB 804 S SG . CYS A 111 ? 0.6295 0.5111 0.6947 -0.0801 -0.1513 0.0172 681 CYS A SG 805 N N . THR A 112 ? 0.5447 0.4995 0.6779 -0.0395 -0.1080 -0.0027 682 THR A N 806 C CA . THR A 112 ? 0.5257 0.5059 0.6778 -0.0244 -0.0906 -0.0166 682 THR A CA 807 C C . THR A 112 ? 0.5538 0.5632 0.7702 -0.0131 -0.0980 -0.0288 682 THR A C 808 O O . THR A 112 ? 0.5642 0.6016 0.7995 0.0027 -0.0808 -0.0449 682 THR A O 809 C CB . THR A 112 ? 0.5631 0.5174 0.6814 -0.0136 -0.0969 -0.0235 682 THR A CB 810 O OG1 . THR A 112 ? 0.5608 0.4927 0.6920 -0.0104 -0.1260 -0.0208 682 THR A OG1 811 C CG2 . THR A 112 ? 0.5423 0.4724 0.6041 -0.0224 -0.0892 -0.0136 682 THR A CG2 812 N N . LEU A 113 ? 0.5633 0.5679 0.8127 -0.0180 -0.1246 -0.0242 683 LEU A N 813 C CA . LEU A 113 ? 0.6438 0.6660 0.9538 -0.0044 -0.1421 -0.0362 683 LEU A CA 814 C C . LEU A 113 ? 0.6574 0.7244 1.0385 -0.0079 -0.1366 -0.0386 683 LEU A C 815 O O . LEU A 113 ? 0.7148 0.8194 1.1509 0.0076 -0.1276 -0.0542 683 LEU A O 816 C CB . LEU A 113 ? 0.6570 0.6396 0.9553 -0.0032 -0.1824 -0.0283 683 LEU A CB 817 C CG . LEU A 113 ? 0.6884 0.6334 0.9396 0.0018 -0.1896 -0.0232 683 LEU A CG 818 C CD1 . LEU A 113 ? 0.6838 0.5962 0.9267 0.0017 -0.2264 -0.0077 683 LEU A CD1 819 C CD2 . LEU A 113 ? 0.6978 0.6509 0.9707 0.0198 -0.1814 -0.0425 683 LEU A CD2 820 N N . SER A 114 ? 0.6476 0.7119 1.0342 -0.0269 -0.1435 -0.0251 684 SER A N 821 C CA . SER A 114 ? 0.6809 0.7832 1.1491 -0.0336 -0.1492 -0.0250 684 SER A CA 822 C C . SER A 114 ? 0.7071 0.8437 1.1996 -0.0505 -0.1149 -0.0124 684 SER A C 823 O O . SER A 114 ? 0.7506 0.9067 1.3053 -0.0648 -0.1247 -0.0053 684 SER A O 824 C CB . SER A 114 ? 0.6786 0.7487 1.1499 -0.0410 -0.1964 -0.0211 684 SER A CB 825 O OG . SER A 114 ? 0.6946 0.7343 1.1176 -0.0577 -0.2014 -0.0103 684 SER A OG 826 N N . GLY A 115 ? 0.7192 0.8636 1.1674 -0.0487 -0.0774 -0.0082 685 GLY A N 827 C CA . GLY A 115 ? 0.6578 0.8259 1.1125 -0.0660 -0.0447 0.0115 685 GLY A CA 828 C C . GLY A 115 ? 0.6575 0.8157 1.0364 -0.0609 -0.0144 0.0159 685 GLY A C 829 O O . GLY A 115 ? 0.5885 0.7299 0.9218 -0.0422 -0.0164 -0.0007 685 GLY A O 830 N N . PRO A 116 ? 0.6694 0.8350 1.0376 -0.0778 0.0097 0.0392 686 PRO A N 831 C CA . PRO A 116 ? 0.6766 0.8296 0.9691 -0.0723 0.0338 0.0448 686 PRO A CA 832 C C . PRO A 116 ? 0.6575 0.7496 0.8782 -0.0692 0.0080 0.0364 686 PRO A C 833 O O . PRO A 116 ? 0.6622 0.7193 0.8833 -0.0779 -0.0238 0.0354 686 PRO A O 834 C CB . PRO A 116 ? 0.6947 0.8615 1.0007 -0.0948 0.0562 0.0777 686 PRO A CB 835 C CG . PRO A 116 ? 0.7244 0.8971 1.1107 -0.1152 0.0353 0.0872 686 PRO A CG 836 C CD . PRO A 116 ? 0.6692 0.8613 1.1047 -0.1013 0.0172 0.0629 686 PRO A CD 837 N N . ILE A 117 ? 0.5997 0.6834 0.7611 -0.0551 0.0216 0.0293 687 ILE A N 838 C CA . ILE A 117 ? 0.6048 0.6396 0.7085 -0.0509 0.0009 0.0214 687 ILE A CA 839 C C . ILE A 117 ? 0.6257 0.6279 0.7010 -0.0687 -0.0055 0.0398 687 ILE A C 840 O O . ILE A 117 ? 0.6598 0.6710 0.7239 -0.0763 0.0147 0.0574 687 ILE A O 841 C CB . ILE A 117 ? 0.6028 0.6384 0.6614 -0.0305 0.0124 0.0059 687 ILE A CB 842 C CG1 . ILE A 117 ? 0.6272 0.6856 0.7198 -0.0103 0.0088 -0.0184 687 ILE A CG1 843 C CG2 . ILE A 117 ? 0.6164 0.6052 0.6258 -0.0296 -0.0076 0.0021 687 ILE A CG2 844 C CD1 . ILE A 117 ? 0.7579 0.8245 0.8172 0.0135 0.0193 -0.0398 687 ILE A CD1 845 N N . TYR A 118 ? 0.5685 0.5342 0.6318 -0.0732 -0.0337 0.0358 688 TYR A N 846 C CA . TYR A 118 ? 0.5763 0.5070 0.6085 -0.0838 -0.0442 0.0448 688 TYR A CA 847 C C . TYR A 118 ? 0.5504 0.4524 0.5334 -0.0736 -0.0543 0.0350 688 TYR A C 848 O O . TYR A 118 ? 0.6001 0.4967 0.5844 -0.0666 -0.0684 0.0255 688 TYR A O 849 C CB . TYR A 118 ? 0.6057 0.5230 0.6689 -0.0959 -0.0690 0.0461 688 TYR A CB 850 C CG . TYR A 118 ? 0.6195 0.5636 0.7488 -0.1104 -0.0654 0.0578 688 TYR A CG 851 C CD1 . TYR A 118 ? 0.6578 0.6326 0.8083 -0.1177 -0.0348 0.0765 688 TYR A CD1 852 C CD2 . TYR A 118 ? 0.6778 0.6178 0.8506 -0.1171 -0.0941 0.0517 688 TYR A CD2 853 C CE1 . TYR A 118 ? 0.6860 0.6909 0.9082 -0.1336 -0.0289 0.0920 688 TYR A CE1 854 C CE2 . TYR A 118 ? 0.7141 0.6802 0.9612 -0.1323 -0.0942 0.0626 688 TYR A CE2 855 C CZ . TYR A 118 ? 0.6839 0.6844 0.9607 -0.1420 -0.0597 0.0845 688 TYR A CZ 856 O OH . TYR A 118 ? 0.6696 0.7020 1.0304 -0.1596 -0.0561 0.1006 688 TYR A OH 857 N N . LEU A 119 ? 0.5350 0.4201 0.4796 -0.0732 -0.0476 0.0398 689 LEU A N 858 C CA . LEU A 119 ? 0.5325 0.3924 0.4399 -0.0663 -0.0573 0.0329 689 LEU A CA 859 C C . LEU A 119 ? 0.5542 0.3891 0.4501 -0.0735 -0.0696 0.0365 689 LEU A C 860 O O . LEU A 119 ? 0.5917 0.4196 0.4880 -0.0808 -0.0656 0.0463 689 LEU A O 861 C CB . LEU A 119 ? 0.5881 0.4475 0.4660 -0.0573 -0.0459 0.0312 689 LEU A CB 862 C CG . LEU A 119 ? 0.5935 0.4673 0.4742 -0.0439 -0.0427 0.0181 689 LEU A CG 863 C CD1 . LEU A 119 ? 0.5779 0.4828 0.4881 -0.0411 -0.0309 0.0154 689 LEU A CD1 864 C CD2 . LEU A 119 ? 0.6004 0.4687 0.4482 -0.0342 -0.0383 0.0136 689 LEU A CD2 865 N N . ILE A 120 ? 0.5767 0.3979 0.4605 -0.0697 -0.0845 0.0288 690 ILE A N 866 C CA . ILE A 120 ? 0.5979 0.3976 0.4704 -0.0714 -0.0994 0.0246 690 ILE A CA 867 C C . ILE A 120 ? 0.5738 0.3618 0.4125 -0.0622 -0.0959 0.0206 690 ILE A C 868 O O . ILE A 120 ? 0.6102 0.4044 0.4362 -0.0552 -0.0929 0.0190 690 ILE A O 869 C CB . ILE A 120 ? 0.5975 0.3950 0.4734 -0.0695 -0.1188 0.0169 690 ILE A CB 870 C CG1 . ILE A 120 ? 0.5918 0.4056 0.5128 -0.0777 -0.1245 0.0200 690 ILE A CG1 871 C CG2 . ILE A 120 ? 0.6011 0.3757 0.4602 -0.0666 -0.1369 0.0058 690 ILE A CG2 872 C CD1 . ILE A 120 ? 0.6044 0.4200 0.5288 -0.0728 -0.1445 0.0140 690 ILE A CD1 873 N N . PHE A 121 ? 0.5936 0.3653 0.4251 -0.0630 -0.0974 0.0208 691 PHE A N 874 C CA . PHE A 121 ? 0.6288 0.3904 0.4375 -0.0533 -0.0960 0.0152 691 PHE A CA 875 C C . PHE A 121 ? 0.6508 0.3930 0.4507 -0.0473 -0.1110 0.0021 691 PHE A C 876 O O . PHE A 121 ? 0.6734 0.4019 0.4878 -0.0531 -0.1262 -0.0013 691 PHE A O 877 C CB . PHE A 121 ? 0.6220 0.3780 0.4290 -0.0548 -0.0891 0.0244 691 PHE A CB 878 C CG . PHE A 121 ? 0.6352 0.4091 0.4412 -0.0542 -0.0763 0.0303 691 PHE A CG 879 C CD1 . PHE A 121 ? 0.6832 0.4637 0.4811 -0.0452 -0.0736 0.0244 691 PHE A CD1 880 C CD2 . PHE A 121 ? 0.6036 0.3898 0.4204 -0.0612 -0.0674 0.0404 691 PHE A CD2 881 C CE1 . PHE A 121 ? 0.6428 0.4356 0.4412 -0.0418 -0.0679 0.0240 691 PHE A CE1 882 C CE2 . PHE A 121 ? 0.6631 0.4669 0.4741 -0.0554 -0.0565 0.0397 691 PHE A CE2 883 C CZ . PHE A 121 ? 0.6195 0.4235 0.4200 -0.0449 -0.0595 0.0293 691 PHE A CZ 884 N N . GLU A 122 ? 0.6681 0.4099 0.4501 -0.0346 -0.1079 -0.0066 692 GLU A N 885 C CA . GLU A 122 ? 0.7284 0.4532 0.5013 -0.0230 -0.1203 -0.0238 692 GLU A CA 886 C C . GLU A 122 ? 0.7203 0.4172 0.5119 -0.0297 -0.1340 -0.0207 692 GLU A C 887 O O . GLU A 122 ? 0.7222 0.4175 0.5217 -0.0375 -0.1269 -0.0037 692 GLU A O 888 C CB . GLU A 122 ? 0.8033 0.5389 0.5657 -0.0086 -0.1098 -0.0304 692 GLU A CB 889 C CG . GLU A 122 ? 0.8718 0.6361 0.6199 -0.0015 -0.0944 -0.0294 692 GLU A CG 890 C CD . GLU A 122 ? 0.8597 0.6413 0.6141 0.0091 -0.0811 -0.0308 692 GLU A CD 891 O OE1 . GLU A 122 ? 0.7143 0.4907 0.4869 0.0062 -0.0818 -0.0258 692 GLU A OE1 892 O OE2 . GLU A 122 ? 0.9426 0.7466 0.6845 0.0208 -0.0694 -0.0355 692 GLU A OE2 893 N N . TYR A 123 ? 0.6793 0.3535 0.4764 -0.0254 -0.1555 -0.0368 693 TYR A N 894 C CA . TYR A 123 ? 0.7191 0.3608 0.5417 -0.0321 -0.1743 -0.0332 693 TYR A CA 895 C C . TYR A 123 ? 0.7356 0.3622 0.5510 -0.0144 -0.1807 -0.0477 693 TYR A C 896 O O . TYR A 123 ? 0.7485 0.3842 0.5444 0.0058 -0.1804 -0.0726 693 TYR A O 897 C CB . TYR A 123 ? 0.7646 0.3858 0.6066 -0.0354 -0.2015 -0.0477 693 TYR A CB 898 C CG . TYR A 123 ? 0.7673 0.3511 0.6492 -0.0464 -0.2253 -0.0404 693 TYR A CG 899 C CD1 . TYR A 123 ? 0.7785 0.3615 0.6901 -0.0697 -0.2166 -0.0044 693 TYR A CD1 900 C CD2 . TYR A 123 ? 0.8203 0.3699 0.7122 -0.0331 -0.2573 -0.0685 693 TYR A CD2 901 C CE1 . TYR A 123 ? 0.8483 0.3969 0.8014 -0.0829 -0.2377 0.0104 693 TYR A CE1 902 C CE2 . TYR A 123 ? 0.8963 0.4059 0.8345 -0.0450 -0.2841 -0.0595 693 TYR A CE2 903 C CZ . TYR A 123 ? 0.8969 0.4058 0.8676 -0.0719 -0.2737 -0.0163 693 TYR A CZ 904 O OH . TYR A 123 ? 0.9617 0.4315 0.9822 -0.0867 -0.2987 0.0008 693 TYR A OH 905 N N . CYS A 124 ? 0.7601 0.5017 0.4532 -0.0768 -0.2497 0.0186 694 CYS A N 906 C CA . CYS A 124 ? 0.7522 0.4676 0.4176 -0.0722 -0.2290 0.0065 694 CYS A CA 907 C C . CYS A 124 ? 0.7820 0.4804 0.4446 -0.0875 -0.2469 0.0029 694 CYS A C 908 O O . CYS A 124 ? 0.7137 0.4428 0.4225 -0.0958 -0.2453 0.0083 694 CYS A O 909 C CB . CYS A 124 ? 0.7379 0.4862 0.4406 -0.0622 -0.1990 0.0075 694 CYS A CB 910 S SG . CYS A 124 ? 0.7506 0.5076 0.4484 -0.0479 -0.1806 0.0119 694 CYS A SG 911 N N . CYS A 125 ? 0.7996 0.4455 0.4036 -0.0916 -0.2641 -0.0058 695 CYS A N 912 C CA . CYS A 125 ? 0.9168 0.5353 0.5084 -0.1107 -0.2927 -0.0074 695 CYS A CA 913 C C . CYS A 125 ? 0.8540 0.4656 0.4565 -0.1145 -0.2837 -0.0120 695 CYS A C 914 O O . CYS A 125 ? 0.9472 0.5536 0.5617 -0.1355 -0.3071 -0.0069 695 CYS A O 915 C CB . CYS A 125 ? 1.0309 0.5823 0.5436 -0.1117 -0.3141 -0.0183 695 CYS A CB 916 S SG . CYS A 125 ? 1.1437 0.6440 0.5841 -0.0851 -0.2841 -0.0378 695 CYS A SG 917 N N . TYR A 126 ? 0.8784 0.4913 0.4784 -0.0962 -0.2521 -0.0197 696 TYR A N 918 C CA . TYR A 126 ? 0.8666 0.4721 0.4766 -0.0972 -0.2434 -0.0234 696 TYR A CA 919 C C . TYR A 126 ? 0.8643 0.5273 0.5422 -0.1013 -0.2285 -0.0120 696 TYR A C 920 O O . TYR A 126 ? 0.8480 0.5056 0.5332 -0.1015 -0.2203 -0.0140 696 TYR A O 921 C CB . TYR A 126 ? 0.9211 0.4907 0.4848 -0.0737 -0.2212 -0.0392 696 TYR A CB 922 C CG . TYR A 126 ? 1.0606 0.5664 0.5497 -0.0686 -0.2363 -0.0520 696 TYR A CG 923 C CD1 . TYR A 126 ? 1.1229 0.5765 0.5772 -0.0841 -0.2678 -0.0563 696 TYR A CD1 924 C CD2 . TYR A 126 ? 1.0575 0.5524 0.5068 -0.0501 -0.2208 -0.0590 696 TYR A CD2 925 C CE1 . TYR A 126 ? 1.1864 0.5744 0.5646 -0.0788 -0.2841 -0.0695 696 TYR A CE1 926 C CE2 . TYR A 126 ? 1.1158 0.5502 0.4904 -0.0440 -0.2338 -0.0713 696 TYR A CE2 927 C CZ . TYR A 126 ? 1.1884 0.5678 0.5262 -0.0571 -0.2656 -0.0776 696 TYR A CZ 928 O OH . TYR A 126 ? 1.2654 0.5791 0.5234 -0.0501 -0.2798 -0.0911 696 TYR A OH 929 N N . GLY A 127 ? 0.7851 0.4995 0.5087 -0.1032 -0.2256 -0.0004 697 GLY A N 930 C CA . GLY A 127 ? 0.6655 0.4337 0.4498 -0.1064 -0.2127 0.0103 697 GLY A CA 931 C C . GLY A 127 ? 0.6396 0.4198 0.4319 -0.0881 -0.1814 0.0051 697 GLY A C 932 O O . GLY A 127 ? 0.6625 0.4249 0.4251 -0.0725 -0.1675 -0.0035 697 GLY A O 933 N N . ASP A 128 ? 0.5726 0.3846 0.4043 -0.0911 -0.1705 0.0114 698 ASP A N 934 C CA . ASP A 128 ? 0.5727 0.4009 0.4167 -0.0758 -0.1438 0.0082 698 ASP A CA 935 C C . ASP A 128 ? 0.6081 0.4009 0.4201 -0.0671 -0.1346 -0.0028 698 ASP A C 936 O O . ASP A 128 ? 0.6151 0.3742 0.4047 -0.0747 -0.1479 -0.0061 698 ASP A O 937 C CB . ASP A 128 ? 0.5608 0.4327 0.4523 -0.0800 -0.1352 0.0181 698 ASP A CB 938 C CG . ASP A 128 ? 0.5555 0.4213 0.4532 -0.0947 -0.1418 0.0223 698 ASP A CG 939 O OD1 . ASP A 128 ? 0.6337 0.5002 0.5380 -0.1133 -0.1616 0.0300 698 ASP A OD1 940 O OD2 . ASP A 128 ? 0.6147 0.4732 0.5093 -0.0889 -0.1287 0.0189 698 ASP A OD2 941 N N . LEU A 129 ? 0.5491 0.3503 0.3603 -0.0513 -0.1132 -0.0075 699 LEU A N 942 C CA . LEU A 129 ? 0.6371 0.4158 0.4243 -0.0383 -0.1014 -0.0172 699 LEU A CA 943 C C . LEU A 129 ? 0.6283 0.4025 0.4265 -0.0412 -0.1017 -0.0164 699 LEU A C 944 O O . LEU A 129 ? 0.6416 0.3822 0.4112 -0.0330 -0.1030 -0.0247 699 LEU A O 945 C CB . LEU A 129 ? 0.5515 0.3512 0.3447 -0.0244 -0.0792 -0.0188 699 LEU A CB 946 C CG . LEU A 129 ? 0.5588 0.3519 0.3391 -0.0089 -0.0635 -0.0265 699 LEU A CG 947 C CD1 . LEU A 129 ? 0.6539 0.4095 0.3876 0.0017 -0.0658 -0.0369 699 LEU A CD1 948 C CD2 . LEU A 129 ? 0.5987 0.4228 0.3965 -0.0026 -0.0444 -0.0235 699 LEU A CD2 949 N N . LEU A 130 ? 0.6092 0.4146 0.4447 -0.0507 -0.1001 -0.0067 700 LEU A N 950 C CA . LEU A 130 ? 0.6233 0.4237 0.4668 -0.0555 -0.1009 -0.0036 700 LEU A CA 951 C C . LEU A 130 ? 0.6218 0.3834 0.4421 -0.0691 -0.1220 -0.0031 700 LEU A C 952 O O . LEU A 130 ? 0.6419 0.3688 0.4381 -0.0631 -0.1244 -0.0088 700 LEU A O 953 C CB . LEU A 130 ? 0.5663 0.4077 0.4496 -0.0640 -0.0945 0.0077 700 LEU A CB 954 C CG . LEU A 130 ? 0.5744 0.4133 0.4642 -0.0690 -0.0929 0.0126 700 LEU A CG 955 C CD1 . LEU A 130 ? 0.5965 0.4234 0.4743 -0.0514 -0.0813 0.0044 700 LEU A CD1 956 C CD2 . LEU A 130 ? 0.5339 0.4150 0.4586 -0.0764 -0.0852 0.0238 700 LEU A CD2 957 N N . ASN A 131 ? 0.6395 0.4062 0.4670 -0.0874 -0.1389 0.0043 701 ASN A N 958 C CA . ASN A 131 ? 0.7229 0.4485 0.5249 -0.1054 -0.1645 0.0056 701 ASN A CA 959 C C . ASN A 131 ? 0.7441 0.4115 0.4906 -0.0931 -0.1729 -0.0097 701 ASN A C 960 O O . ASN A 131 ? 0.7935 0.4103 0.5064 -0.0995 -0.1897 -0.0132 701 ASN A O 961 C CB . ASN A 131 ? 0.7725 0.5227 0.5975 -0.1281 -0.1826 0.0177 701 ASN A CB 962 C CG . ASN A 131 ? 0.8990 0.6968 0.7718 -0.1454 -0.1798 0.0348 701 ASN A CG 963 O OD1 . ASN A 131 ? 0.8287 0.6127 0.6997 -0.1573 -0.1832 0.0407 701 ASN A OD1 964 N ND2 . ASN A 131 ? 0.8045 0.6570 0.7175 -0.1458 -0.1738 0.0433 701 ASN A ND2 965 N N . TYR A 132 ? 0.7345 0.4065 0.4680 -0.0754 -0.1613 -0.0183 702 TYR A N 966 C CA . TYR A 132 ? 0.8137 0.4357 0.4921 -0.0594 -0.1638 -0.0335 702 TYR A CA 967 C C . TYR A 132 ? 0.8107 0.4081 0.4703 -0.0396 -0.1521 -0.0427 702 TYR A C 968 O O . TYR A 132 ? 0.9009 0.4424 0.5165 -0.0352 -0.1654 -0.0516 702 TYR A O 969 C CB . TYR A 132 ? 0.7637 0.4042 0.4359 -0.0457 -0.1497 -0.0377 702 TYR A CB 970 C CG . TYR A 132 ? 0.8377 0.4334 0.4518 -0.0276 -0.1482 -0.0524 702 TYR A CG 971 C CD1 . TYR A 132 ? 0.9007 0.4565 0.4721 -0.0351 -0.1698 -0.0568 702 TYR A CD1 972 C CD2 . TYR A 132 ? 0.8634 0.4592 0.4647 -0.0021 -0.1247 -0.0615 702 TYR A CD2 973 C CE1 . TYR A 132 ? 0.9694 0.4819 0.4809 -0.0162 -0.1665 -0.0712 702 TYR A CE1 974 C CE2 . TYR A 132 ? 0.9000 0.4593 0.4474 0.0177 -0.1197 -0.0749 702 TYR A CE2 975 C CZ . TYR A 132 ? 0.9631 0.4789 0.4630 0.0114 -0.1396 -0.0803 702 TYR A CZ 976 O OH . TYR A 132 ? 1.0735 0.5523 0.5150 0.0332 -0.1324 -0.0943 702 TYR A OH 977 N N . LEU A 133 ? 0.7748 0.4124 0.4669 -0.0274 -0.1292 -0.0404 703 LEU A N 978 C CA . LEU A 133 ? 0.7966 0.4221 0.4809 -0.0079 -0.1181 -0.0467 703 LEU A CA 979 C C . LEU A 133 ? 0.7951 0.3822 0.4677 -0.0185 -0.1364 -0.0439 703 LEU A C 980 O O . LEU A 133 ? 0.8770 0.4160 0.5112 -0.0030 -0.1418 -0.0539 703 LEU A O 981 C CB . LEU A 133 ? 0.7453 0.4250 0.4734 -0.0006 -0.0959 -0.0411 703 LEU A CB 982 C CG . LEU A 133 ? 0.7447 0.4578 0.4809 0.0118 -0.0761 -0.0436 703 LEU A CG 983 C CD1 . LEU A 133 ? 0.6757 0.4378 0.4566 0.0096 -0.0618 -0.0352 703 LEU A CD1 984 C CD2 . LEU A 133 ? 0.8137 0.5115 0.5199 0.0374 -0.0640 -0.0554 703 LEU A CD2 985 N N . ARG A 134 ? 0.8136 0.4198 0.5161 -0.0448 -0.1465 -0.0298 704 ARG A N 986 C CA . ARG A 134 ? 0.8042 0.3778 0.4984 -0.0612 -0.1641 -0.0227 704 ARG A CA 987 C C . ARG A 134 ? 0.9053 0.4106 0.5490 -0.0702 -0.1910 -0.0285 704 ARG A C 988 O O . ARG A 134 ? 0.8987 0.3540 0.5135 -0.0693 -0.2032 -0.0303 704 ARG A O 989 C CB . ARG A 134 ? 0.7932 0.4108 0.5323 -0.0885 -0.1662 -0.0044 704 ARG A CB 990 C CG . ARG A 134 ? 0.7398 0.4072 0.5168 -0.0790 -0.1432 0.0006 704 ARG A CG 991 C CD . ARG A 134 ? 0.7090 0.4279 0.5294 -0.0992 -0.1396 0.0162 704 ARG A CD 992 N NE . ARG A 134 ? 0.6636 0.4149 0.5080 -0.0902 -0.1210 0.0199 704 ARG A NE 993 C CZ . ARG A 134 ? 0.6271 0.4201 0.5040 -0.1017 -0.1131 0.0324 704 ARG A CZ 994 N NH1 . ARG A 134 ? 0.5797 0.3972 0.4774 -0.1229 -0.1205 0.0444 704 ARG A NH1 995 N NH2 . ARG A 134 ? 0.5907 0.4022 0.4786 -0.0908 -0.0979 0.0330 704 ARG A NH2 996 N N . SER A 135 ? 0.8857 0.3843 0.5152 -0.0782 -0.2019 -0.0316 705 SER A N 997 C CA . SER A 135 ? 0.9875 0.4157 0.5623 -0.0874 -0.2302 -0.0386 705 SER A CA 998 C C . SER A 135 ? 1.0555 0.4244 0.5699 -0.0543 -0.2270 -0.0595 705 SER A C 999 O O . SER A 135 ? 1.1633 0.4603 0.6223 -0.0579 -0.2513 -0.0677 705 SER A O 1000 C CB . SER A 135 ? 0.9768 0.4172 0.5531 -0.1049 -0.2443 -0.0356 705 SER A CB 1001 O OG . SER A 135 ? 1.0332 0.4901 0.6001 -0.0807 -0.2258 -0.0465 705 SER A OG 1002 N N . LYS A 136 ? 1.0742 0.4737 0.5980 -0.0229 -0.1979 -0.0678 706 LYS A N 1003 C CA . LYS A 136 ? 1.1635 0.5230 0.6383 0.0135 -0.1882 -0.0867 706 LYS A CA 1004 C C . LYS A 136 ? 1.1489 0.4949 0.6222 0.0363 -0.1797 -0.0904 706 LYS A C 1005 O O . LYS A 136 ? 1.2301 0.5573 0.6730 0.0713 -0.1669 -0.1050 706 LYS A O 1006 C CB . LYS A 136 ? 1.1135 0.5212 0.6003 0.0334 -0.1606 -0.0918 706 LYS A CB 1007 C CG . LYS A 136 ? 1.1598 0.5755 0.6399 0.0168 -0.1685 -0.0896 706 LYS A CG 1008 C CD . LYS A 136 ? 1.2533 0.5966 0.6617 0.0206 -0.1890 -0.1032 706 LYS A CD 1009 C CE . LYS A 136 ? 1.2478 0.6020 0.6516 0.0030 -0.1990 -0.0992 706 LYS A CE 1010 N NZ . LYS A 136 ? 1.3922 0.6761 0.7417 -0.0140 -0.2350 -0.1043 706 LYS A NZ 1011 N N . ARG A 137 ? 1.1574 0.5134 0.6616 0.0183 -0.1867 -0.0769 707 ARG A N 1012 C CA . ARG A 137 ? 1.2079 0.5541 0.7140 0.0388 -0.1804 -0.0780 707 ARG A CA 1013 C C . ARG A 137 ? 1.2481 0.5085 0.6898 0.0599 -0.1972 -0.0916 707 ARG A C 1014 O O . ARG A 137 ? 1.2645 0.5198 0.6986 0.0944 -0.1852 -0.1000 707 ARG A O 1015 C CB . ARG A 137 ? 1.1640 0.5324 0.7091 0.0116 -0.1868 -0.0592 707 ARG A CB 1016 C CG . ARG A 137 ? 1.0508 0.5030 0.6583 0.0041 -0.1648 -0.0482 707 ARG A CG 1017 C CD . ARG A 137 ? 0.9544 0.4240 0.5920 -0.0176 -0.1689 -0.0312 707 ARG A CD 1018 N NE . ARG A 137 ? 0.8569 0.4010 0.5474 -0.0207 -0.1476 -0.0231 707 ARG A NE 1019 C CZ . ARG A 137 ? 0.8166 0.3922 0.5391 -0.0381 -0.1446 -0.0084 707 ARG A CZ 1020 N NH1 . ARG A 137 ? 0.8403 0.3854 0.5516 -0.0569 -0.1602 0.0025 707 ARG A NH1 1021 N NH2 . ARG A 137 ? 0.7691 0.4048 0.5314 -0.0370 -0.1259 -0.0043 707 ARG A NH2 1022 N N . GLU A 138 ? 1.3744 0.5677 0.7719 0.0383 -0.2270 -0.0925 708 GLU A N 1023 C CA . GLU A 138 ? 1.5609 0.6576 0.8842 0.0583 -0.2470 -0.1079 708 GLU A CA 1024 C C . GLU A 138 ? 1.5985 0.6746 0.8763 0.0944 -0.2352 -0.1298 708 GLU A C 1025 O O . GLU A 138 ? 1.7039 0.7263 0.9328 0.1312 -0.2351 -0.1460 708 GLU A O 1026 C CB . GLU A 138 ? 1.7353 0.7610 1.0213 0.0197 -0.2861 -0.1011 708 GLU A CB 1027 C CG . GLU A 138 ? 1.7769 0.7984 1.0871 -0.0098 -0.3004 -0.0811 708 GLU A CG 1028 N N . LYS A 139 ? 1.5982 0.7184 0.8916 0.0856 -0.2241 -0.1298 709 LYS A N 1029 C CA . LYS A 139 ? 1.6155 0.7180 0.8625 0.1138 -0.2130 -0.1482 709 LYS A CA 1030 C C . LYS A 139 ? 1.5365 0.7148 0.8189 0.1462 -0.1724 -0.1516 709 LYS A C 1031 O O . LYS A 139 ? 1.6173 0.8132 0.8852 0.1550 -0.1585 -0.1581 709 LYS A O 1032 C CB . LYS A 139 ? 1.6965 0.7923 0.9307 0.0814 -0.2305 -0.1447 709 LYS A CB 1033 C CG . LYS A 139 ? 1.8092 0.8359 1.0115 0.0449 -0.2727 -0.1395 709 LYS A CG 1034 N N . PHE A 140 ? 1.3884 0.6113 0.7158 0.1618 -0.1548 -0.1459 710 PHE A N 1035 C CA . PHE A 140 ? 1.2856 0.5810 0.6492 0.1906 -0.1189 -0.1473 710 PHE A CA 1036 C C . PHE A 140 ? 1.4322 0.6948 0.7535 0.2404 -0.1081 -0.1649 710 PHE A C 1037 O O . PHE A 140 ? 1.5159 0.7283 0.8155 0.2538 -0.1232 -0.1691 710 PHE A O 1038 C CB . PHE A 140 ? 1.2393 0.6066 0.6780 0.1786 -0.1071 -0.1305 710 PHE A CB 1039 C CG . PHE A 140 ? 1.1780 0.6246 0.6593 0.1982 -0.0739 -0.1286 710 PHE A CG 1040 C CD1 . PHE A 140 ? 1.1233 0.6261 0.6373 0.1788 -0.0601 -0.1200 710 PHE A CD1 1041 C CD2 . PHE A 140 ? 1.2369 0.7013 0.7245 0.2364 -0.0575 -0.1347 710 PHE A CD2 1042 C CE1 . PHE A 140 ? 1.0902 0.6625 0.6410 0.1929 -0.0315 -0.1165 710 PHE A CE1 1043 C CE2 . PHE A 140 ? 1.1587 0.7008 0.6887 0.2510 -0.0279 -0.1307 710 PHE A CE2 1044 C CZ . PHE A 140 ? 1.0475 0.6420 0.6082 0.2272 -0.0153 -0.1212 710 PHE A CZ 1045 N N . SER A 141 ? 1.5230 0.8162 0.8336 0.2683 -0.0813 -0.1741 762 SER A N 1046 C CA . SER A 141 ? 1.6371 0.9130 0.9108 0.3211 -0.0645 -0.1910 762 SER A CA 1047 C C . SER A 141 ? 1.6317 1.0006 0.9706 0.3431 -0.0324 -0.1834 762 SER A C 1048 O O . SER A 141 ? 1.6309 1.0727 1.0086 0.3343 -0.0087 -0.1748 762 SER A O 1049 C CB . SER A 141 ? 1.7169 0.9625 0.9270 0.3386 -0.0554 -0.2065 762 SER A CB 1050 O OG . SER A 141 ? 1.8453 1.0748 1.0161 0.3930 -0.0369 -0.2238 762 SER A OG 1051 N N . ASN A 160 ? 1.8358 0.9330 0.9107 0.0874 -0.2167 -0.1732 781 ASN A N 1052 C CA . ASN A 160 ? 1.9115 0.9911 1.0114 0.0751 -0.2334 -0.1687 781 ASN A CA 1053 C C . ASN A 160 ? 1.8965 1.0275 1.0487 0.0973 -0.2023 -0.1655 781 ASN A C 1054 O O . ASN A 160 ? 1.8725 1.0485 1.0907 0.0761 -0.2035 -0.1497 781 ASN A O 1055 C CB . ASN A 160 ? 1.9575 0.9299 0.9731 0.0821 -0.2634 -0.1858 781 ASN A CB 1056 N N . VAL A 161 ? 1.7517 0.8787 0.8743 0.1398 -0.1748 -0.1800 782 VAL A N 1057 C CA . VAL A 161 ? 1.6367 0.8035 0.7995 0.1660 -0.1487 -0.1794 782 VAL A CA 1058 C C . VAL A 161 ? 1.4216 0.6906 0.6598 0.1642 -0.1157 -0.1650 782 VAL A C 1059 O O . VAL A 161 ? 1.4304 0.7305 0.6650 0.1668 -0.0988 -0.1639 782 VAL A O 1060 C CB . VAL A 161 ? 1.7794 0.8993 0.8788 0.2157 -0.1345 -0.2012 782 VAL A CB 1061 C CG1 . VAL A 161 ? 1.7086 0.8692 0.8511 0.2436 -0.1119 -0.1998 782 VAL A CG1 1062 C CG2 . VAL A 161 ? 1.8890 0.8965 0.9056 0.2178 -0.1701 -0.2167 782 VAL A CG2 1063 N N . LEU A 162 ? 1.3090 0.6239 0.6103 0.1588 -0.1086 -0.1536 783 LEU A N 1064 C CA . LEU A 162 ? 1.1892 0.5931 0.5589 0.1588 -0.0799 -0.1410 783 LEU A CA 1065 C C . LEU A 162 ? 1.1450 0.5745 0.5234 0.1973 -0.0535 -0.1475 783 LEU A C 1066 O O . LEU A 162 ? 1.2189 0.6101 0.5794 0.2158 -0.0617 -0.1553 783 LEU A O 1067 C CB . LEU A 162 ? 1.1244 0.5639 0.5572 0.1263 -0.0907 -0.1236 783 LEU A CB 1068 C CG . LEU A 162 ? 1.0607 0.5818 0.5582 0.1154 -0.0697 -0.1093 783 LEU A CG 1069 C CD1 . LEU A 162 ? 1.1293 0.6653 0.6220 0.0996 -0.0690 -0.1048 783 LEU A CD1 1070 C CD2 . LEU A 162 ? 1.0959 0.6420 0.6454 0.0914 -0.0796 -0.0955 783 LEU A CD2 1071 N N . THR A 163 ? 1.1014 0.5966 0.5086 0.2083 -0.0231 -0.1429 784 THR A N 1072 C CA . THR A 163 ? 1.0792 0.6164 0.5053 0.2431 0.0045 -0.1459 784 THR A CA 1073 C C . THR A 163 ? 0.9815 0.6029 0.4846 0.2296 0.0212 -0.1288 784 THR A C 1074 O O . THR A 163 ? 0.9016 0.5484 0.4356 0.1971 0.0162 -0.1163 784 THR A O 1075 C CB . THR A 163 ? 1.1678 0.7108 0.5526 0.2712 0.0294 -0.1557 784 THR A CB 1076 O OG1 . THR A 163 ? 1.1846 0.7653 0.5826 0.2475 0.0393 -0.1448 784 THR A OG1 1077 C CG2 . THR A 163 ? 1.2328 0.6874 0.5322 0.2892 0.0139 -0.1751 784 THR A CG2 1078 N N . PHE A 164 ? 0.9689 0.6322 0.5010 0.2559 0.0399 -0.1286 785 PHE A N 1079 C CA . PHE A 164 ? 0.9476 0.6940 0.5487 0.2466 0.0578 -0.1130 785 PHE A CA 1080 C C . PHE A 164 ? 0.9016 0.6933 0.5140 0.2304 0.0764 -0.1036 785 PHE A C 1081 O O . PHE A 164 ? 0.8206 0.6551 0.4792 0.2036 0.0774 -0.0891 785 PHE A O 1082 C CB . PHE A 164 ? 0.9480 0.7335 0.5728 0.2823 0.0753 -0.1153 785 PHE A CB 1083 C CG . PHE A 164 ? 0.8575 0.7294 0.5513 0.2717 0.0921 -0.0989 785 PHE A CG 1084 C CD1 . PHE A 164 ? 0.8176 0.7087 0.5581 0.2466 0.0781 -0.0872 785 PHE A CD1 1085 C CD2 . PHE A 164 ? 0.8879 0.8211 0.5973 0.2845 0.1212 -0.0941 785 PHE A CD2 1086 C CE1 . PHE A 164 ? 0.8043 0.7682 0.6032 0.2348 0.0901 -0.0726 785 PHE A CE1 1087 C CE2 . PHE A 164 ? 0.8259 0.8367 0.5983 0.2701 0.1336 -0.0774 785 PHE A CE2 1088 C CZ . PHE A 164 ? 0.7883 0.8115 0.6040 0.2450 0.1166 -0.0673 785 PHE A CZ 1089 N N . GLU A 165 ? 0.9445 0.7200 0.5086 0.2468 0.0895 -0.1121 786 GLU A N 1090 C CA . GLU A 165 ? 0.9743 0.7845 0.5379 0.2332 0.1071 -0.1031 786 GLU A CA 1091 C C . GLU A 165 ? 0.9019 0.6894 0.4641 0.1949 0.0863 -0.0954 786 GLU A C 1092 O O . GLU A 165 ? 0.8119 0.6413 0.4074 0.1722 0.0932 -0.0808 786 GLU A O 1093 C CB . GLU A 165 ? 1.0893 0.8797 0.5913 0.2622 0.1255 -0.1151 786 GLU A CB 1094 C CG . GLU A 165 ? 1.2676 1.1051 0.7813 0.3013 0.1552 -0.1186 786 GLU A CG 1095 C CD . GLU A 165 ? 1.3602 1.1664 0.8646 0.3357 0.1467 -0.1332 786 GLU A CD 1096 O OE1 . GLU A 165 ? 1.2782 1.0073 0.7426 0.3353 0.1190 -0.1452 786 GLU A OE1 1097 O OE2 . GLU A 165 ? 1.4555 1.3150 0.9932 0.3633 0.1669 -0.1316 786 GLU A OE2 1098 N N . ASP A 166 ? 0.8752 0.5973 0.4012 0.1880 0.0595 -0.1044 787 ASP A N 1099 C CA . ASP A 166 ? 0.8768 0.5811 0.4083 0.1540 0.0368 -0.0968 787 ASP A CA 1100 C C . ASP A 166 ? 0.8037 0.5508 0.4011 0.1309 0.0325 -0.0824 787 ASP A C 1101 O O . ASP A 166 ? 0.7609 0.5261 0.3772 0.1078 0.0293 -0.0717 787 ASP A O 1102 C CB . ASP A 166 ? 0.9486 0.5807 0.4373 0.1495 0.0067 -0.1074 787 ASP A CB 1103 C CG . ASP A 166 ? 1.0617 0.6388 0.4745 0.1674 0.0048 -0.1223 787 ASP A CG 1104 O OD1 . ASP A 166 ? 1.1513 0.7442 0.5417 0.1749 0.0236 -0.1218 787 ASP A OD1 1105 O OD2 . ASP A 166 ? 1.1712 0.6847 0.5420 0.1735 -0.0165 -0.1343 787 ASP A OD2 1106 N N . LEU A 167 ? 0.7537 0.5138 0.3819 0.1392 0.0321 -0.0827 788 LEU A N 1107 C CA . LEU A 167 ? 0.7257 0.5237 0.4106 0.1205 0.0290 -0.0704 788 LEU A CA 1108 C C . LEU A 167 ? 0.6750 0.5324 0.3953 0.1139 0.0491 -0.0588 788 LEU A C 1109 O O . LEU A 167 ? 0.6750 0.5514 0.4233 0.0910 0.0446 -0.0482 788 LEU A O 1110 C CB . LEU A 167 ? 0.7166 0.5134 0.4204 0.1333 0.0243 -0.0731 788 LEU A CB 1111 C CG . LEU A 167 ? 0.7653 0.5009 0.4378 0.1362 0.0018 -0.0817 788 LEU A CG 1112 C CD1 . LEU A 167 ? 0.7511 0.4927 0.4480 0.1462 -0.0017 -0.0804 788 LEU A CD1 1113 C CD2 . LEU A 167 ? 0.7722 0.4824 0.4421 0.1063 -0.0199 -0.0766 788 LEU A CD2 1114 N N . LEU A 168 ? 0.6908 0.5760 0.4080 0.1344 0.0708 -0.0605 789 LEU A N 1115 C CA . LEU A 168 ? 0.6965 0.6385 0.4423 0.1271 0.0912 -0.0481 789 LEU A CA 1116 C C . LEU A 168 ? 0.7001 0.6331 0.4250 0.1069 0.0911 -0.0415 789 LEU A C 1117 O O . LEU A 168 ? 0.6651 0.6266 0.4183 0.0857 0.0931 -0.0283 789 LEU A O 1118 C CB . LEU A 168 ? 0.7944 0.7683 0.5358 0.1559 0.1159 -0.0515 789 LEU A CB 1119 C CG . LEU A 168 ? 0.8430 0.8903 0.6337 0.1568 0.1360 -0.0388 789 LEU A CG 1120 C CD1 . LEU A 168 ? 0.7749 0.8459 0.6177 0.1425 0.1233 -0.0311 789 LEU A CD1 1121 C CD2 . LEU A 168 ? 0.8701 0.9392 0.6526 0.1946 0.1561 -0.0468 789 LEU A CD2 1122 N N . CYS A 169 ? 0.7283 0.6161 0.4005 0.1134 0.0859 -0.0507 790 CYS A N 1123 C CA . CYS A 169 ? 0.7632 0.6350 0.4096 0.0960 0.0816 -0.0450 790 CYS A CA 1124 C C . CYS A 169 ? 0.7438 0.6055 0.4134 0.0702 0.0596 -0.0377 790 CYS A C 1125 O O . CYS A 169 ? 0.6746 0.5495 0.3526 0.0529 0.0603 -0.0263 790 CYS A O 1126 C CB . CYS A 169 ? 0.8674 0.6876 0.4491 0.1088 0.0762 -0.0575 790 CYS A CB 1127 S SG . CYS A 169 ? 1.0381 0.8438 0.5829 0.0917 0.0746 -0.0491 790 CYS A SG 1128 N N . PHE A 170 ? 0.7148 0.5535 0.3934 0.0688 0.0406 -0.0437 791 PHE A N 1129 C CA . PHE A 170 ? 0.6950 0.5314 0.3998 0.0480 0.0224 -0.0369 791 PHE A CA 1130 C C . PHE A 170 ? 0.6759 0.5541 0.4264 0.0372 0.0305 -0.0257 791 PHE A C 1131 O O . PHE A 170 ? 0.6624 0.5442 0.4228 0.0218 0.0244 -0.0174 791 PHE A O 1132 C CB . PHE A 170 ? 0.6596 0.4716 0.3697 0.0476 0.0042 -0.0431 791 PHE A CB 1133 C CG . PHE A 170 ? 0.7005 0.4623 0.3650 0.0515 -0.0119 -0.0530 791 PHE A CG 1134 C CD1 . PHE A 170 ? 0.7576 0.4948 0.3821 0.0487 -0.0176 -0.0548 791 PHE A CD1 1135 C CD2 . PHE A 170 ? 0.7707 0.5049 0.4299 0.0555 -0.0249 -0.0598 791 PHE A CD2 1136 C CE1 . PHE A 170 ? 0.8475 0.5342 0.4278 0.0500 -0.0365 -0.0642 791 PHE A CE1 1137 C CE2 . PHE A 170 ? 0.8614 0.5435 0.4765 0.0557 -0.0436 -0.0685 791 PHE A CE2 1138 C CZ . PHE A 170 ? 0.9114 0.5696 0.4868 0.0528 -0.0500 -0.0712 791 PHE A CZ 1139 N N . ALA A 171 ? 0.6065 0.5133 0.3820 0.0464 0.0425 -0.0256 792 ALA A N 1140 C CA . ALA A 171 ? 0.5618 0.5067 0.3775 0.0354 0.0486 -0.0152 792 ALA A CA 1141 C C . ALA A 171 ? 0.5419 0.5045 0.3543 0.0237 0.0593 -0.0046 792 ALA A C 1142 O O . ALA A 171 ? 0.5309 0.4977 0.3586 0.0070 0.0532 0.0039 792 ALA A O 1143 C CB . ALA A 171 ? 0.5732 0.5480 0.4139 0.0487 0.0586 -0.0165 792 ALA A CB 1144 N N . TYR A 172 ? 0.5754 0.5451 0.3639 0.0333 0.0750 -0.0051 793 TYR A N 1145 C CA . TYR A 172 ? 0.5949 0.5785 0.3726 0.0213 0.0865 0.0066 793 TYR A CA 1146 C C . TYR A 172 ? 0.5839 0.5337 0.3399 0.0061 0.0713 0.0107 793 TYR A C 1147 O O . TYR A 172 ? 0.5648 0.5219 0.3299 -0.0112 0.0703 0.0226 793 TYR A O 1148 C CB . TYR A 172 ? 0.6436 0.6362 0.3907 0.0374 0.1071 0.0040 793 TYR A CB 1149 C CG . TYR A 172 ? 0.6933 0.6989 0.4230 0.0240 0.1205 0.0176 793 TYR A CG 1150 C CD1 . TYR A 172 ? 0.7248 0.7778 0.4873 0.0095 0.1342 0.0333 793 TYR A CD1 1151 C CD2 . TYR A 172 ? 0.8090 0.7779 0.4874 0.0235 0.1178 0.0163 793 TYR A CD2 1152 C CE1 . TYR A 172 ? 0.7434 0.8069 0.4881 -0.0063 0.1463 0.0484 793 TYR A CE1 1153 C CE2 . TYR A 172 ? 0.8961 0.8736 0.5538 0.0102 0.1300 0.0304 793 TYR A CE2 1154 C CZ . TYR A 172 ? 0.8555 0.8801 0.5464 -0.0053 0.1449 0.0470 793 TYR A CZ 1155 O OH . TYR A 172 ? 0.8752 0.9065 0.5441 -0.0216 0.1563 0.0632 793 TYR A OH 1156 N N . GLN A 173 ? 0.6157 0.5277 0.3438 0.0125 0.0572 0.0011 794 GLN A N 1157 C CA . GLN A 173 ? 0.6407 0.5230 0.3490 0.0011 0.0406 0.0049 794 GLN A CA 1158 C C . GLN A 173 ? 0.5976 0.4820 0.3382 -0.0112 0.0264 0.0104 794 GLN A C 1159 O O . GLN A 173 ? 0.6080 0.4832 0.3428 -0.0221 0.0200 0.0192 794 GLN A O 1160 C CB . GLN A 173 ? 0.6947 0.5398 0.3689 0.0094 0.0264 -0.0059 794 GLN A CB 1161 C CG . GLN A 173 ? 0.7069 0.5364 0.3322 0.0206 0.0374 -0.0107 794 GLN A CG 1162 C CD . GLN A 173 ? 0.7466 0.5324 0.3360 0.0257 0.0177 -0.0216 794 GLN A CD 1163 O OE1 . GLN A 173 ? 0.7497 0.5139 0.3252 0.0154 -0.0007 -0.0179 794 GLN A OE1 1164 N NE2 . GLN A 173 ? 0.8080 0.5789 0.3839 0.0409 0.0182 -0.0346 794 GLN A NE2 1165 N N . VAL A 174 ? 0.5430 0.4372 0.3138 -0.0080 0.0220 0.0053 795 VAL A N 1166 C CA . VAL A 174 ? 0.5049 0.4028 0.3040 -0.0165 0.0114 0.0093 795 VAL A CA 1167 C C . VAL A 174 ? 0.5274 0.4425 0.3408 -0.0271 0.0192 0.0192 795 VAL A C 1168 O O . VAL A 174 ? 0.5444 0.4478 0.3589 -0.0352 0.0100 0.0249 795 VAL A O 1169 C CB . VAL A 174 ? 0.5040 0.4083 0.3282 -0.0114 0.0063 0.0027 795 VAL A CB 1170 C CG1 . VAL A 174 ? 0.4972 0.4070 0.3465 -0.0182 -0.0013 0.0066 795 VAL A CG1 1171 C CG2 . VAL A 174 ? 0.5761 0.4579 0.3846 -0.0065 -0.0059 -0.0047 795 VAL A CG2 1172 N N . ALA A 175 ? 0.5106 0.4523 0.3341 -0.0268 0.0346 0.0217 796 ALA A N 1173 C CA . ALA A 175 ? 0.5258 0.4858 0.3626 -0.0414 0.0407 0.0334 796 ALA A CA 1174 C C . ALA A 175 ? 0.5584 0.5014 0.3678 -0.0536 0.0405 0.0439 796 ALA A C 1175 O O . ALA A 175 ? 0.5381 0.4739 0.3516 -0.0682 0.0342 0.0529 796 ALA A O 1176 C CB . ALA A 175 ? 0.5260 0.5256 0.3813 -0.0389 0.0575 0.0360 796 ALA A CB 1177 N N . LYS A 176 ? 0.5745 0.5074 0.3521 -0.0474 0.0465 0.0428 797 LYS A N 1178 C CA . LYS A 176 ? 0.6720 0.5827 0.4154 -0.0575 0.0448 0.0529 797 LYS A CA 1179 C C . LYS A 176 ? 0.6257 0.5012 0.3615 -0.0603 0.0230 0.0533 797 LYS A C 1180 O O . LYS A 176 ? 0.6658 0.5243 0.3899 -0.0729 0.0171 0.0643 797 LYS A O 1181 C CB . LYS A 176 ? 0.7327 0.6342 0.4367 -0.0475 0.0536 0.0493 797 LYS A CB 1182 C CG . LYS A 176 ? 0.8767 0.8060 0.5698 -0.0514 0.0775 0.0586 797 LYS A CG 1183 C CD . LYS A 176 ? 1.0434 0.9570 0.6892 -0.0384 0.0859 0.0531 797 LYS A CD 1184 N N . GLY A 177 ? 0.5931 0.4587 0.3355 -0.0483 0.0109 0.0422 798 GLY A N 1185 C CA . GLY A 177 ? 0.6290 0.4721 0.3735 -0.0469 -0.0085 0.0419 798 GLY A CA 1186 C C . GLY A 177 ? 0.5921 0.4357 0.3577 -0.0534 -0.0126 0.0463 798 GLY A C 1187 O O . GLY A 177 ? 0.5827 0.4020 0.3357 -0.0567 -0.0236 0.0526 798 GLY A O 1188 N N . MET A 178 ? 0.5411 0.4082 0.3343 -0.0547 -0.0045 0.0432 799 MET A N 1189 C CA . MET A 178 ? 0.5415 0.4062 0.3505 -0.0614 -0.0091 0.0461 799 MET A CA 1190 C C . MET A 178 ? 0.5878 0.4433 0.3836 -0.0788 -0.0074 0.0586 799 MET A C 1191 O O . MET A 178 ? 0.6017 0.4328 0.3922 -0.0843 -0.0185 0.0622 799 MET A O 1192 C CB . MET A 178 ? 0.4919 0.3828 0.3312 -0.0586 -0.0035 0.0396 799 MET A CB 1193 C CG . MET A 178 ? 0.5163 0.4101 0.3686 -0.0447 -0.0085 0.0293 799 MET A CG 1194 S SD . MET A 178 ? 0.5188 0.3907 0.3695 -0.0369 -0.0236 0.0277 799 MET A SD 1195 C CE . MET A 178 ? 0.5410 0.4002 0.3927 -0.0438 -0.0267 0.0308 799 MET A CE 1196 N N . GLU A 179 ? 0.5845 0.4580 0.3729 -0.0875 0.0064 0.0657 800 GLU A N 1197 C CA . GLU A 179 ? 0.6292 0.4967 0.4032 -0.1083 0.0091 0.0813 800 GLU A CA 1198 C C . GLU A 179 ? 0.6596 0.4813 0.3975 -0.1113 -0.0047 0.0880 800 GLU A C 1199 O O . GLU A 179 ? 0.6821 0.4780 0.4081 -0.1263 -0.0140 0.0980 800 GLU A O 1200 C CB . GLU A 179 ? 0.6509 0.5528 0.4229 -0.1140 0.0298 0.0883 800 GLU A CB 1201 C CG . GLU A 179 ? 0.7348 0.6463 0.5041 -0.1400 0.0357 0.1070 800 GLU A CG 1202 C CD . GLU A 179 ? 0.7806 0.7294 0.5444 -0.1444 0.0591 0.1162 800 GLU A CD 1203 O OE1 . GLU A 179 ? 0.7875 0.7538 0.5490 -0.1245 0.0714 0.1059 800 GLU A OE1 1204 O OE2 . GLU A 179 ? 0.8813 0.8408 0.6410 -0.1683 0.0653 0.1346 800 GLU A OE2 1205 N N . PHE A 180 ? 0.6452 0.4539 0.3644 -0.0971 -0.0085 0.0825 801 PHE A N 1206 C CA . PHE A 180 ? 0.6849 0.4509 0.3720 -0.0951 -0.0249 0.0877 801 PHE A CA 1207 C C . PHE A 180 ? 0.6650 0.4055 0.3607 -0.0880 -0.0424 0.0839 801 PHE A C 1208 O O . PHE A 180 ? 0.7075 0.4113 0.3808 -0.0950 -0.0540 0.0927 801 PHE A O 1209 C CB . PHE A 180 ? 0.6684 0.4305 0.3389 -0.0806 -0.0283 0.0812 801 PHE A CB 1210 C CG . PHE A 180 ? 0.7181 0.4411 0.3608 -0.0753 -0.0480 0.0858 801 PHE A CG 1211 C CD1 . PHE A 180 ? 0.7697 0.4641 0.3714 -0.0870 -0.0504 0.0999 801 PHE A CD1 1212 C CD2 . PHE A 180 ? 0.7063 0.4233 0.3640 -0.0584 -0.0642 0.0775 801 PHE A CD2 1213 C CE1 . PHE A 180 ? 0.8411 0.4970 0.4155 -0.0805 -0.0709 0.1048 801 PHE A CE1 1214 C CE2 . PHE A 180 ? 0.7386 0.4239 0.3741 -0.0508 -0.0836 0.0824 801 PHE A CE2 1215 C CZ . PHE A 180 ? 0.7805 0.4331 0.3734 -0.0610 -0.0881 0.0956 801 PHE A CZ 1216 N N . LEU A 181 ? 0.6131 0.3717 0.3387 -0.0738 -0.0435 0.0711 802 LEU A N 1217 C CA . LEU A 181 ? 0.6141 0.3541 0.3481 -0.0635 -0.0562 0.0661 802 LEU A CA 1218 C C . LEU A 181 ? 0.6309 0.3523 0.3604 -0.0778 -0.0588 0.0714 802 LEU A C 1219 O O . LEU A 181 ? 0.6449 0.3268 0.3556 -0.0737 -0.0729 0.0730 802 LEU A O 1220 C CB . LEU A 181 ? 0.5845 0.3530 0.3511 -0.0478 -0.0537 0.0531 802 LEU A CB 1221 C CG . LEU A 181 ? 0.5955 0.3756 0.3665 -0.0347 -0.0577 0.0485 802 LEU A CG 1222 C CD1 . LEU A 181 ? 0.6274 0.4352 0.4307 -0.0247 -0.0547 0.0387 802 LEU A CD1 1223 C CD2 . LEU A 181 ? 0.6269 0.3812 0.3816 -0.0238 -0.0742 0.0521 802 LEU A CD2 1224 N N . GLU A 182 ? 0.6417 0.3896 0.3866 -0.0938 -0.0470 0.0742 803 GLU A N 1225 C CA . GLU A 182 ? 0.6618 0.3941 0.4015 -0.1141 -0.0513 0.0823 803 GLU A CA 1226 C C . GLU A 182 ? 0.7370 0.4267 0.4392 -0.1304 -0.0609 0.0972 803 GLU A C 1227 O O . GLU A 182 ? 0.7664 0.4121 0.4486 -0.1367 -0.0763 0.1002 803 GLU A O 1228 C CB . GLU A 182 ? 0.6822 0.4598 0.4489 -0.1303 -0.0370 0.0860 803 GLU A CB 1229 C CG . GLU A 182 ? 0.7407 0.5052 0.5037 -0.1567 -0.0444 0.0972 803 GLU A CG 1230 C CD . GLU A 182 ? 0.7668 0.5782 0.5644 -0.1699 -0.0357 0.0994 803 GLU A CD 1231 O OE1 . GLU A 182 ? 0.9325 0.7896 0.7577 -0.1583 -0.0213 0.0930 803 GLU A OE1 1232 O OE2 . GLU A 182 ? 0.9478 0.7470 0.7436 -0.1925 -0.0458 0.1082 803 GLU A OE2 1233 N N . PHE A 183 ? 0.7109 0.4093 0.3990 -0.1368 -0.0525 0.1063 804 PHE A N 1234 C CA . PHE A 183 ? 0.8213 0.4804 0.4699 -0.1531 -0.0602 0.1227 804 PHE A CA 1235 C C . PHE A 183 ? 0.8503 0.4535 0.4698 -0.1360 -0.0815 0.1198 804 PHE A C 1236 O O . PHE A 183 ? 0.8917 0.4460 0.4786 -0.1483 -0.0954 0.1308 804 PHE A O 1237 C CB . PHE A 183 ? 0.8457 0.5302 0.4831 -0.1592 -0.0439 0.1312 804 PHE A CB 1238 C CG . PHE A 183 ? 0.9591 0.6051 0.5517 -0.1765 -0.0498 0.1498 804 PHE A CG 1239 C CD1 . PHE A 183 ? 1.0235 0.6664 0.6064 -0.2088 -0.0464 0.1688 804 PHE A CD1 1240 C CD2 . PHE A 183 ? 1.0470 0.6619 0.6065 -0.1625 -0.0594 0.1501 804 PHE A CD2 1241 C CE1 . PHE A 183 ? 1.0833 0.6886 0.6213 -0.2274 -0.0515 0.1883 804 PHE A CE1 1242 C CE2 . PHE A 183 ? 1.1625 0.7387 0.6760 -0.1786 -0.0656 0.1685 804 PHE A CE2 1243 C CZ . PHE A 183 ? 1.0917 0.6616 0.5929 -0.2114 -0.0609 0.1879 804 PHE A CZ 1244 N N . LYS A 184 ? 0.8069 0.4185 0.4396 -0.1078 -0.0848 0.1057 805 LYS A N 1245 C CA . LYS A 184 ? 0.8337 0.4029 0.4475 -0.0861 -0.1043 0.1020 805 LYS A CA 1246 C C . LYS A 184 ? 0.8183 0.3656 0.4385 -0.0725 -0.1143 0.0920 805 LYS A C 1247 O O . LYS A 184 ? 0.9057 0.4249 0.5150 -0.0493 -0.1280 0.0872 805 LYS A O 1248 C CB . LYS A 184 ? 0.8207 0.4132 0.4463 -0.0639 -0.1046 0.0945 805 LYS A CB 1249 C CG . LYS A 184 ? 0.8498 0.4453 0.4525 -0.0737 -0.1004 0.1041 805 LYS A CG 1250 C CD . LYS A 184 ? 0.9517 0.4932 0.5071 -0.0808 -0.1157 0.1190 805 LYS A CD 1251 C CE . LYS A 184 ? 0.9845 0.5302 0.5123 -0.0952 -0.1074 0.1301 805 LYS A CE 1252 N NZ . LYS A 184 ? 1.0937 0.5933 0.5802 -0.0889 -0.1271 0.1395 805 LYS A NZ 1253 N N . SER A 185 ? 0.7483 0.3074 0.3837 -0.0858 -0.1081 0.0892 806 SER A N 1254 C CA . SER A 185 ? 0.7996 0.3366 0.4356 -0.0746 -0.1163 0.0789 806 SER A CA 1255 C C . SER A 185 ? 0.7661 0.3311 0.4292 -0.0424 -0.1123 0.0631 806 SER A C 1256 O O . SER A 185 ? 0.8383 0.3754 0.4908 -0.0198 -0.1220 0.0553 806 SER A O 1257 C CB . SER A 185 ? 0.8573 0.3198 0.4471 -0.0753 -0.1376 0.0846 806 SER A CB 1258 O OG . SER A 185 ? 0.9182 0.3584 0.5038 -0.0721 -0.1438 0.0753 806 SER A OG 1259 N N . CYS A 186 ? 0.7077 0.3272 0.4040 -0.0405 -0.0979 0.0593 807 CYS A N 1260 C CA . CYS A 186 ? 0.7096 0.3619 0.4346 -0.0165 -0.0931 0.0476 807 CYS A CA 1261 C C . CYS A 186 ? 0.6871 0.3759 0.4403 -0.0220 -0.0804 0.0406 807 CYS A C 1262 O O . CYS A 186 ? 0.7210 0.4214 0.4781 -0.0432 -0.0736 0.0451 807 CYS A O 1263 C CB . CYS A 186 ? 0.6955 0.3742 0.4318 -0.0098 -0.0913 0.0495 807 CYS A CB 1264 S SG . CYS A 186 ? 0.8370 0.4752 0.5429 0.0034 -0.1098 0.0567 807 CYS A SG 1265 N N . VAL A 187 ? 0.6257 0.3336 0.3983 -0.0023 -0.0774 0.0307 808 VAL A N 1266 C CA . VAL A 187 ? 0.6090 0.3543 0.4090 -0.0044 -0.0656 0.0245 808 VAL A CA 1267 C C . VAL A 187 ? 0.6341 0.4159 0.4601 0.0103 -0.0609 0.0209 808 VAL A C 1268 O O . VAL A 187 ? 0.6740 0.4530 0.5005 0.0282 -0.0669 0.0203 808 VAL A O 1269 C CB . VAL A 187 ? 0.6804 0.4105 0.4740 0.0008 -0.0667 0.0172 808 VAL A CB 1270 C CG1 . VAL A 187 ? 0.7778 0.4713 0.5463 -0.0189 -0.0748 0.0218 808 VAL A CG1 1271 C CG2 . VAL A 187 ? 0.7111 0.4245 0.4955 0.0282 -0.0713 0.0106 808 VAL A CG2 1272 N N . HIS A 188 ? 0.5615 0.3766 0.4090 0.0024 -0.0515 0.0195 809 HIS A N 1273 C CA . HIS A 188 ? 0.5497 0.3976 0.4217 0.0110 -0.0480 0.0168 809 HIS A CA 1274 C C . HIS A 188 ? 0.5769 0.4379 0.4612 0.0165 -0.0412 0.0112 809 HIS A C 1275 O O . HIS A 188 ? 0.5442 0.4083 0.4301 0.0065 -0.0360 0.0095 809 HIS A O 1276 C CB . HIS A 188 ? 0.5771 0.4427 0.4562 -0.0011 -0.0436 0.0184 809 HIS A CB 1277 C CG . HIS A 188 ? 0.6602 0.5456 0.5535 0.0037 -0.0472 0.0185 809 HIS A CG 1278 N ND1 . HIS A 188 ? 0.5642 0.4740 0.4805 0.0099 -0.0453 0.0166 809 HIS A ND1 1279 C CD2 . HIS A 188 ? 0.7170 0.6005 0.6032 0.0011 -0.0539 0.0214 809 HIS A CD2 1280 C CE1 . HIS A 188 ? 0.6453 0.5687 0.5711 0.0090 -0.0519 0.0189 809 HIS A CE1 1281 N NE2 . HIS A 188 ? 0.7009 0.6068 0.6072 0.0043 -0.0581 0.0210 809 HIS A NE2 1282 N N . ARG A 189 ? 0.5546 0.4262 0.4482 0.0331 -0.0407 0.0089 810 ARG A N 1283 C CA . ARG A 189 ? 0.5794 0.4635 0.4802 0.0388 -0.0325 0.0042 810 ARG A CA 1284 C C . ARG A 189 ? 0.5045 0.4249 0.4305 0.0328 -0.0253 0.0056 810 ARG A C 1285 O O . ARG A 189 ? 0.5130 0.4453 0.4439 0.0367 -0.0182 0.0036 810 ARG A O 1286 C CB . ARG A 189 ? 0.5856 0.4628 0.4796 0.0616 -0.0328 0.0009 810 ARG A CB 1287 C CG . ARG A 189 ? 0.7091 0.5381 0.5701 0.0656 -0.0424 -0.0010 810 ARG A CG 1288 C CD . ARG A 189 ? 0.7523 0.5626 0.5958 0.0891 -0.0416 -0.0078 810 ARG A CD 1289 N NE . ARG A 189 ? 0.7838 0.6185 0.6444 0.1126 -0.0402 -0.0065 810 ARG A NE 1290 C CZ . ARG A 189 ? 0.9412 0.7717 0.7929 0.1405 -0.0364 -0.0122 810 ARG A CZ 1291 N NH1 . ARG A 189 ? 1.0488 0.8444 0.8682 0.1482 -0.0343 -0.0210 810 ARG A NH1 1292 N NH2 . ARG A 189 ? 1.1430 1.0053 1.0177 0.1621 -0.0353 -0.0090 810 ARG A NH2 1293 N N . ASP A 190 ? 0.4686 0.3996 0.4041 0.0217 -0.0279 0.0091 811 ASP A N 1294 C CA . ASP A 190 ? 0.4135 0.3701 0.3681 0.0149 -0.0254 0.0113 811 ASP A CA 1295 C C . ASP A 190 ? 0.4011 0.3517 0.3512 0.0025 -0.0288 0.0118 811 ASP A C 1296 O O . ASP A 190 ? 0.4344 0.3937 0.3915 -0.0014 -0.0343 0.0143 811 ASP A O 1297 C CB . ASP A 190 ? 0.4008 0.3842 0.3760 0.0225 -0.0278 0.0158 811 ASP A CB 1298 C CG . ASP A 190 ? 0.4286 0.4382 0.4231 0.0137 -0.0246 0.0198 811 ASP A CG 1299 O OD1 . ASP A 190 ? 0.3917 0.3960 0.3814 0.0053 -0.0200 0.0182 811 ASP A OD1 1300 O OD2 . ASP A 190 ? 0.4038 0.4396 0.4188 0.0142 -0.0282 0.0259 811 ASP A OD2 1301 N N . LEU A 191 ? 0.4259 0.3615 0.3629 -0.0034 -0.0260 0.0096 812 LEU A N 1302 C CA . LEU A 191 ? 0.4287 0.3604 0.3591 -0.0110 -0.0260 0.0093 812 LEU A CA 1303 C C . LEU A 191 ? 0.4307 0.3727 0.3707 -0.0139 -0.0232 0.0076 812 LEU A C 1304 O O . LEU A 191 ? 0.4543 0.4006 0.3993 -0.0138 -0.0190 0.0065 812 LEU A O 1305 C CB . LEU A 191 ? 0.4580 0.3790 0.3761 -0.0160 -0.0222 0.0097 812 LEU A CB 1306 C CG . LEU A 191 ? 0.5089 0.4307 0.4192 -0.0205 -0.0183 0.0095 812 LEU A CG 1307 C CD1 . LEU A 191 ? 0.5090 0.4212 0.4050 -0.0197 -0.0237 0.0105 812 LEU A CD1 1308 C CD2 . LEU A 191 ? 0.5395 0.4610 0.4446 -0.0272 -0.0127 0.0126 812 LEU A CD2 1309 N N . ALA A 192 ? 0.4498 0.3910 0.3884 -0.0167 -0.0280 0.0075 813 ALA A N 1310 C CA . ALA A 192 ? 0.4557 0.3978 0.3977 -0.0201 -0.0291 0.0065 813 ALA A CA 1311 C C . ALA A 192 ? 0.4584 0.3871 0.3874 -0.0232 -0.0374 0.0051 813 ALA A C 1312 O O . ALA A 192 ? 0.4822 0.4075 0.4049 -0.0236 -0.0433 0.0064 813 ALA A O 1313 C CB . ALA A 192 ? 0.4234 0.3804 0.3818 -0.0223 -0.0301 0.0109 813 ALA A CB 1314 N N . ALA A 193 ? 0.4310 0.3478 0.3520 -0.0248 -0.0398 0.0023 814 ALA A N 1315 C CA . ALA A 193 ? 0.4451 0.3398 0.3452 -0.0270 -0.0495 -0.0010 814 ALA A CA 1316 C C . ALA A 193 ? 0.4618 0.3583 0.3675 -0.0371 -0.0638 0.0042 814 ALA A C 1317 O O . ALA A 193 ? 0.5406 0.4202 0.4273 -0.0392 -0.0739 0.0022 814 ALA A O 1318 C CB . ALA A 193 ? 0.4882 0.3628 0.3744 -0.0243 -0.0509 -0.0058 814 ALA A CB 1319 N N . ARG A 194 ? 0.4367 0.3556 0.3678 -0.0433 -0.0648 0.0115 815 ARG A N 1320 C CA . ARG A 194 ? 0.4519 0.3876 0.3995 -0.0525 -0.0768 0.0193 815 ARG A CA 1321 C C . ARG A 194 ? 0.4973 0.4422 0.4474 -0.0466 -0.0805 0.0206 815 ARG A C 1322 O O . ARG A 194 ? 0.4384 0.3919 0.3967 -0.0536 -0.0946 0.0260 815 ARG A O 1323 C CB . ARG A 194 ? 0.4429 0.4096 0.4199 -0.0575 -0.0721 0.0281 815 ARG A CB 1324 C CG . ARG A 194 ? 0.4137 0.4011 0.4037 -0.0448 -0.0567 0.0277 815 ARG A CG 1325 C CD . ARG A 194 ? 0.4276 0.4471 0.4423 -0.0475 -0.0502 0.0363 815 ARG A CD 1326 N NE . ARG A 194 ? 0.4072 0.4327 0.4216 -0.0330 -0.0364 0.0325 815 ARG A NE 1327 C CZ . ARG A 194 ? 0.3962 0.4077 0.3979 -0.0296 -0.0282 0.0277 815 ARG A CZ 1328 N NH1 . ARG A 194 ? 0.4399 0.4342 0.4311 -0.0373 -0.0305 0.0268 815 ARG A NH1 1329 N NH2 . ARG A 194 ? 0.3772 0.3894 0.3749 -0.0179 -0.0195 0.0239 815 ARG A NH2 1330 N N . ASN A 195 ? 0.4425 0.3850 0.3858 -0.0353 -0.0697 0.0169 816 ASN A N 1331 C CA . ASN A 195 ? 0.5196 0.4622 0.4586 -0.0288 -0.0734 0.0184 816 ASN A CA 1332 C C . ASN A 195 ? 0.5603 0.4745 0.4657 -0.0274 -0.0741 0.0136 816 ASN A C 1333 O O . ASN A 195 ? 0.5806 0.4894 0.4767 -0.0221 -0.0735 0.0151 816 ASN A O 1334 C CB . ASN A 195 ? 0.4918 0.4480 0.4438 -0.0185 -0.0624 0.0195 816 ASN A CB 1335 C CG . ASN A 195 ? 0.4872 0.4747 0.4691 -0.0160 -0.0613 0.0249 816 ASN A CG 1336 O OD1 . ASN A 195 ? 0.5835 0.5899 0.5824 -0.0209 -0.0714 0.0310 816 ASN A OD1 1337 N ND2 . ASN A 195 ? 0.5133 0.5079 0.5011 -0.0087 -0.0491 0.0235 816 ASN A ND2 1338 N N . VAL A 196 ? 0.4738 0.3683 0.3585 -0.0309 -0.0748 0.0081 817 VAL A N 1339 C CA . VAL A 196 ? 0.4959 0.3649 0.3451 -0.0285 -0.0748 0.0034 817 VAL A CA 1340 C C . VAL A 196 ? 0.5716 0.4208 0.4031 -0.0356 -0.0932 0.0016 817 VAL A C 1341 O O . VAL A 196 ? 0.5566 0.4041 0.3961 -0.0422 -0.0997 0.0011 817 VAL A O 1342 C CB . VAL A 196 ? 0.5178 0.3809 0.3553 -0.0224 -0.0585 -0.0026 817 VAL A CB 1343 C CG1 . VAL A 196 ? 0.5945 0.4360 0.3943 -0.0179 -0.0550 -0.0070 817 VAL A CG1 1344 C CG2 . VAL A 196 ? 0.5377 0.4201 0.3941 -0.0196 -0.0450 0.0007 817 VAL A CG2 1345 N N . LEU A 197 ? 0.5682 0.4000 0.3734 -0.0360 -0.1035 0.0018 818 LEU A N 1346 C CA . LEU A 197 ? 0.6152 0.4231 0.3975 -0.0440 -0.1244 -0.0001 818 LEU A CA 1347 C C . LEU A 197 ? 0.6775 0.4474 0.4081 -0.0377 -0.1211 -0.0097 818 LEU A C 1348 O O . LEU A 197 ? 0.6866 0.4564 0.4029 -0.0282 -0.1033 -0.0116 818 LEU A O 1349 C CB . LEU A 197 ? 0.6354 0.4528 0.4259 -0.0488 -0.1428 0.0081 818 LEU A CB 1350 C CG . LEU A 197 ? 0.6320 0.4917 0.4731 -0.0496 -0.1437 0.0177 818 LEU A CG 1351 C CD1 . LEU A 197 ? 0.6475 0.5149 0.4935 -0.0516 -0.1647 0.0253 818 LEU A CD1 1352 C CD2 . LEU A 197 ? 0.7064 0.5861 0.5786 -0.0595 -0.1459 0.0205 818 LEU A CD2 1353 N N . VAL A 198 ? 0.7269 0.4645 0.4285 -0.0436 -0.1388 -0.0150 819 VAL A N 1354 C CA . VAL A 198 ? 0.7390 0.4339 0.3847 -0.0349 -0.1368 -0.0266 819 VAL A CA 1355 C C . VAL A 198 ? 0.7646 0.4294 0.3739 -0.0427 -0.1618 -0.0267 819 VAL A C 1356 O O . VAL A 198 ? 0.7568 0.4223 0.3812 -0.0584 -0.1869 -0.0211 819 VAL A O 1357 C CB . VAL A 198 ? 0.8052 0.4750 0.4388 -0.0327 -0.1382 -0.0355 819 VAL A CB 1358 C CG1 . VAL A 198 ? 0.8862 0.5128 0.4600 -0.0165 -0.1314 -0.0493 819 VAL A CG1 1359 C CG2 . VAL A 198 ? 0.7498 0.4517 0.4254 -0.0283 -0.1197 -0.0329 819 VAL A CG2 1360 N N . THR A 199 ? 0.7777 0.4194 0.3403 -0.0328 -0.1548 -0.0315 820 THR A N 1361 C CA . THR A 199 ? 0.9403 0.5465 0.4557 -0.0378 -0.1773 -0.0329 820 THR A CA 1362 C C . THR A 199 ? 0.9862 0.5436 0.4318 -0.0239 -0.1697 -0.0475 820 THR A C 1363 O O . THR A 199 ? 0.9267 0.4804 0.3682 -0.0111 -0.1507 -0.0562 820 THR A O 1364 C CB . THR A 199 ? 0.8832 0.5082 0.4053 -0.0392 -0.1789 -0.0217 820 THR A CB 1365 O OG1 . THR A 199 ? 1.0126 0.6024 0.4903 -0.0457 -0.2060 -0.0220 820 THR A OG1 1366 C CG2 . THR A 199 ? 0.9031 0.5364 0.4105 -0.0263 -0.1486 -0.0210 820 THR A CG2 1367 N N . HIS A 200 ? 1.0639 0.5851 0.4544 -0.0245 -0.1842 -0.0500 821 HIS A N 1368 C CA . HIS A 200 ? 1.1627 0.6316 0.4764 -0.0099 -0.1793 -0.0648 821 HIS A CA 1369 C C . HIS A 200 ? 1.1571 0.6442 0.4617 0.0112 -0.1392 -0.0682 821 HIS A C 1370 O O . HIS A 200 ? 1.0854 0.6149 0.4239 0.0103 -0.1207 -0.0568 821 HIS A O 1371 C CB . HIS A 200 ? 1.2211 0.6538 0.4774 -0.0147 -0.1999 -0.0639 821 HIS A CB 1372 C CG . HIS A 200 ? 1.2852 0.6997 0.5452 -0.0361 -0.2429 -0.0598 821 HIS A CG 1373 N ND1 . HIS A 200 ? 1.3263 0.6942 0.5561 -0.0440 -0.2689 -0.0699 821 HIS A ND1 1374 C CD2 . HIS A 200 ? 1.2222 0.6602 0.5136 -0.0517 -0.2657 -0.0455 821 HIS A CD2 1375 C CE1 . HIS A 200 ? 1.3273 0.6954 0.5733 -0.0666 -0.3060 -0.0608 821 HIS A CE1 1376 N NE2 . HIS A 200 ? 1.3060 0.7189 0.5910 -0.0698 -0.3041 -0.0462 821 HIS A NE2 1377 N N . GLY A 201 ? 1.1727 0.6271 0.4307 0.0301 -0.1272 -0.0835 822 GLY A N 1378 C CA . GLY A 201 ? 1.1843 0.6584 0.4297 0.0527 -0.0886 -0.0871 822 GLY A CA 1379 C C . GLY A 201 ? 1.1481 0.6754 0.4598 0.0576 -0.0653 -0.0825 822 GLY A C 1380 O O . GLY A 201 ? 1.2510 0.8148 0.5742 0.0684 -0.0347 -0.0782 822 GLY A O 1381 N N . LYS A 202 ? 1.0899 0.6214 0.4436 0.0483 -0.0809 -0.0823 823 LYS A N 1382 C CA . LYS A 202 ? 1.0319 0.6115 0.4513 0.0479 -0.0660 -0.0760 823 LYS A CA 1383 C C . LYS A 202 ? 0.9605 0.5939 0.4265 0.0390 -0.0502 -0.0607 823 LYS A C 1384 O O . LYS A 202 ? 0.9315 0.6052 0.4364 0.0445 -0.0286 -0.0566 823 LYS A O 1385 C CB . LYS A 202 ? 1.1741 0.7497 0.5819 0.0729 -0.0461 -0.0877 823 LYS A CB 1386 C CG . LYS A 202 ? 1.2558 0.7744 0.6296 0.0775 -0.0685 -0.1011 823 LYS A CG 1387 C CD . LYS A 202 ? 1.3061 0.8154 0.6677 0.1055 -0.0520 -0.1132 823 LYS A CD 1388 C CE . LYS A 202 ? 1.3521 0.7867 0.6582 0.1126 -0.0763 -0.1285 823 LYS A CE 1389 N N . VAL A 203 ? 0.9256 0.5565 0.3874 0.0244 -0.0643 -0.0518 824 VAL A N 1390 C CA . VAL A 203 ? 0.8701 0.5401 0.3704 0.0147 -0.0558 -0.0372 824 VAL A CA 1391 C C . VAL A 203 ? 0.7443 0.4392 0.3040 0.0033 -0.0676 -0.0315 824 VAL A C 1392 O O . VAL A 203 ? 0.7725 0.4524 0.3371 -0.0051 -0.0911 -0.0330 824 VAL A O 1393 C CB . VAL A 203 ? 0.8987 0.5519 0.3668 0.0068 -0.0672 -0.0298 824 VAL A CB 1394 C CG1 . VAL A 203 ? 0.8608 0.5451 0.3683 -0.0037 -0.0654 -0.0147 824 VAL A CG1 1395 C CG2 . VAL A 203 ? 0.9524 0.5880 0.3625 0.0185 -0.0487 -0.0334 824 VAL A CG2 1396 N N . VAL A 204 ? 0.7224 0.4553 0.3250 0.0022 -0.0517 -0.0243 825 VAL A N 1397 C CA . VAL A 204 ? 0.7035 0.4605 0.3577 -0.0070 -0.0605 -0.0182 825 VAL A CA 1398 C C . VAL A 204 ? 0.6607 0.4367 0.3351 -0.0136 -0.0595 -0.0065 825 VAL A C 1399 O O . VAL A 204 ? 0.6593 0.4381 0.3187 -0.0127 -0.0462 -0.0017 825 VAL A O 1400 C CB . VAL A 204 ? 0.6397 0.4174 0.3269 -0.0025 -0.0487 -0.0213 825 VAL A CB 1401 C CG1 . VAL A 204 ? 0.7224 0.4727 0.3870 0.0044 -0.0548 -0.0325 825 VAL A CG1 1402 C CG2 . VAL A 204 ? 0.6297 0.4334 0.3279 0.0036 -0.0242 -0.0185 825 VAL A CG2 1403 N N . LYS A 205 ? 0.6142 0.4028 0.3219 -0.0197 -0.0735 -0.0017 826 LYS A N 1404 C CA . LYS A 205 ? 0.6040 0.4023 0.3265 -0.0226 -0.0787 0.0079 826 LYS A CA 1405 C C . LYS A 205 ? 0.5442 0.3695 0.3137 -0.0231 -0.0788 0.0107 826 LYS A C 1406 O O . LYS A 205 ? 0.6113 0.4455 0.4011 -0.0257 -0.0890 0.0093 826 LYS A O 1407 C CB . LYS A 205 ? 0.6133 0.3945 0.3177 -0.0257 -0.1018 0.0112 826 LYS A CB 1408 C CG . LYS A 205 ? 0.6868 0.4383 0.3385 -0.0250 -0.1023 0.0111 826 LYS A CG 1409 C CD . LYS A 205 ? 0.7100 0.4427 0.3426 -0.0286 -0.1294 0.0140 826 LYS A CD 1410 C CE . LYS A 205 ? 0.7895 0.4886 0.3625 -0.0278 -0.1303 0.0145 826 LYS A CE 1411 N NZ . LYS A 205 ? 0.8243 0.5239 0.3912 -0.0275 -0.1225 0.0254 826 LYS A NZ 1412 N N . ILE A 206 ? 0.5361 0.3716 0.3187 -0.0218 -0.0694 0.0157 827 ILE A N 1413 C CA . ILE A 206 ? 0.5077 0.3640 0.3268 -0.0197 -0.0679 0.0175 827 ILE A CA 1414 C C . ILE A 206 ? 0.5469 0.4078 0.3785 -0.0162 -0.0843 0.0226 827 ILE A C 1415 O O . ILE A 206 ? 0.5236 0.3690 0.3363 -0.0143 -0.0928 0.0275 827 ILE A O 1416 C CB . ILE A 206 ? 0.5380 0.3957 0.3594 -0.0198 -0.0550 0.0204 827 ILE A CB 1417 C CG1 . ILE A 206 ? 0.5184 0.3807 0.3331 -0.0229 -0.0389 0.0171 827 ILE A CG1 1418 C CG2 . ILE A 206 ? 0.5402 0.4132 0.3917 -0.0155 -0.0547 0.0206 827 ILE A CG2 1419 C CD1 . ILE A 206 ? 0.5574 0.4231 0.3730 -0.0278 -0.0279 0.0220 827 ILE A CD1 1420 N N . CYS A 207 ? 0.5286 0.4126 0.3922 -0.0149 -0.0886 0.0226 828 CYS A N 1421 C CA . CYS A 207 ? 0.5735 0.4732 0.4573 -0.0097 -0.1028 0.0283 828 CYS A CA 1422 C C . CYS A 207 ? 0.5845 0.5057 0.4967 -0.0003 -0.0941 0.0294 828 CYS A C 1423 O O . CYS A 207 ? 0.5726 0.4982 0.4913 -0.0016 -0.0801 0.0255 828 CYS A O 1424 C CB . CYS A 207 ? 0.6052 0.5180 0.5016 -0.0179 -0.1176 0.0298 828 CYS A CB 1425 S SG . CYS A 207 ? 0.8401 0.7817 0.7707 -0.0249 -0.1115 0.0295 828 CYS A SG 1426 N N . ASP A 208 ? 0.8239 0.7564 0.7498 0.0111 -0.1032 0.0344 829 ASP A N 1427 C CA . ASP A 208 ? 0.9880 0.9461 0.9421 0.0240 -0.0968 0.0353 829 ASP A CA 1428 C C . ASP A 208 ? 0.9896 0.9885 0.9793 0.0225 -0.1054 0.0411 829 ASP A C 1429 O O . ASP A 208 ? 0.7788 0.7860 0.7748 0.0251 -0.1224 0.0469 829 ASP A O 1430 C CB . ASP A 208 ? 1.0130 0.9549 0.9565 0.0413 -0.1010 0.0370 829 ASP A CB 1431 C CG . ASP A 208 ? 1.1543 1.1160 1.1188 0.0597 -0.0926 0.0357 829 ASP A CG 1432 O OD1 . ASP A 208 ? 1.2156 1.2060 1.2030 0.0581 -0.0814 0.0342 829 ASP A OD1 1433 O OD2 . ASP A 208 ? 1.0113 0.9553 0.9644 0.0771 -0.0972 0.0360 829 ASP A OD2 1434 N N . PHE A 209 ? 0.6322 0.6565 0.6442 0.0171 -0.0947 0.0408 830 PHE A N 1435 C CA . PHE A 209 ? 0.9306 1.0004 0.9809 0.0122 -0.0985 0.0485 830 PHE A CA 1436 C C . PHE A 209 ? 0.9578 1.0242 1.0060 -0.0095 -0.1140 0.0517 830 PHE A C 1437 O O . PHE A 209 ? 1.1172 1.2159 1.1937 -0.0213 -0.1188 0.0592 830 PHE A O 1438 C CB . PHE A 209 ? 1.2621 1.3691 1.3426 0.0303 -0.1041 0.0558 830 PHE A CB 1439 C CG . PHE A 209 ? 1.5112 1.6514 1.6156 0.0463 -0.0864 0.0566 830 PHE A CG 1440 C CD1 . PHE A 209 ? 1.6355 1.8258 1.7768 0.0385 -0.0807 0.0650 830 PHE A CD1 1441 C CD2 . PHE A 209 ? 1.7835 1.9031 1.8701 0.0691 -0.0760 0.0496 830 PHE A CD2 1442 C CE1 . PHE A 209 ? 1.6206 1.8433 1.7802 0.0551 -0.0619 0.0660 830 PHE A CE1 1443 C CE2 . PHE A 209 ? 1.8227 1.9685 1.9242 0.0866 -0.0595 0.0487 830 PHE A CE2 1444 C CZ . PHE A 209 ? 1.6940 1.8933 1.8319 0.0808 -0.0509 0.0568 830 PHE A CZ 1445 N N . MET A 216 ? 1.1364 1.5623 1.3783 -0.0281 0.0417 0.1269 837 MET A N 1446 C CA . MET A 216 ? 1.1957 1.6640 1.4524 -0.0437 0.0573 0.1442 837 MET A CA 1447 C C . MET A 216 ? 1.2538 1.6940 1.5002 -0.0831 0.0427 0.1541 837 MET A C 1448 O O . MET A 216 ? 1.2734 1.6892 1.4917 -0.0911 0.0518 0.1553 837 MET A O 1449 C CB . MET A 216 ? 1.2295 1.7842 1.5419 -0.0407 0.0651 0.1619 837 MET A CB 1450 C CG . MET A 216 ? 1.1559 1.7424 1.4788 0.0027 0.0814 0.1533 837 MET A CG 1451 N N . SER A 217 ? 1.3060 1.7445 1.5707 -0.1064 0.0184 0.1607 838 SER A N 1452 C CA . SER A 217 ? 1.3484 1.7498 1.5982 -0.1430 -0.0004 0.1686 838 SER A CA 1453 C C . SER A 217 ? 1.3888 1.7077 1.5868 -0.1411 -0.0092 0.1509 838 SER A C 1454 O O . SER A 217 ? 1.2437 1.5279 1.4206 -0.1639 -0.0178 0.1563 838 SER A O 1455 C CB . SER A 217 ? 1.2762 1.6919 1.5538 -0.1666 -0.0269 0.1784 838 SER A CB 1456 N N . ASP A 218 ? 1.1587 1.4485 1.3378 -0.1139 -0.0077 0.1312 839 ASP A N 1457 C CA . ASP A 218 ? 0.9003 1.1228 1.0376 -0.1086 -0.0148 0.1144 839 ASP A CA 1458 C C . ASP A 218 ? 0.8110 1.0165 0.9221 -0.0956 0.0030 0.1084 839 ASP A C 1459 O O . ASP A 218 ? 0.6555 0.8774 0.7663 -0.0723 0.0189 0.1021 839 ASP A O 1460 C CB . ASP A 218 ? 0.8521 1.0576 0.9844 -0.0890 -0.0217 0.0993 839 ASP A CB 1461 C CG . ASP A 218 ? 0.8219 0.9667 0.9186 -0.0884 -0.0322 0.0852 839 ASP A CG 1462 O OD1 . ASP A 218 ? 0.6658 0.7821 0.7384 -0.0862 -0.0261 0.0800 839 ASP A OD1 1463 O OD2 . ASP A 218 ? 0.9050 1.0324 0.9974 -0.0886 -0.0464 0.0794 839 ASP A OD2 1464 N N . SER A 219 ? 0.6164 0.7837 0.7018 -0.1094 -0.0022 0.1095 840 SER A N 1465 C CA . SER A 219 ? 0.7158 0.8612 0.7731 -0.0987 0.0098 0.1038 840 SER A CA 1466 C C . SER A 219 ? 0.5933 0.7033 0.6281 -0.0773 0.0090 0.0845 840 SER A C 1467 O O . SER A 219 ? 0.6025 0.6974 0.6160 -0.0677 0.0171 0.0794 840 SER A O 1468 C CB . SER A 219 ? 0.7939 0.9091 0.8308 -0.1194 0.0021 0.1127 840 SER A CB 1469 O OG . SER A 219 ? 0.9918 1.0611 1.0135 -0.1259 -0.0176 0.1055 840 SER A OG 1470 N N . ASN A 220 ? 0.5611 0.6579 0.5992 -0.0718 -0.0013 0.0750 841 ASN A N 1471 C CA . ASN A 220 ? 0.5097 0.5807 0.5307 -0.0538 -0.0006 0.0595 841 ASN A CA 1472 C C . ASN A 220 ? 0.4588 0.5467 0.4828 -0.0336 0.0109 0.0536 841 ASN A C 1473 O O . ASN A 220 ? 0.4696 0.5337 0.4758 -0.0223 0.0116 0.0428 841 ASN A O 1474 C CB . ASN A 220 ? 0.5624 0.6091 0.5793 -0.0560 -0.0145 0.0524 841 ASN A CB 1475 C CG . ASN A 220 ? 0.6187 0.6355 0.6215 -0.0699 -0.0260 0.0541 841 ASN A CG 1476 O OD1 . ASN A 220 ? 0.5946 0.5917 0.5810 -0.0690 -0.0244 0.0528 841 ASN A OD1 1477 N ND2 . ASN A 220 ? 0.6419 0.6517 0.6481 -0.0818 -0.0394 0.0570 841 ASN A ND2 1478 N N . TYR A 221 ? 0.4447 0.5725 0.4903 -0.0289 0.0192 0.0610 842 TYR A N 1479 C CA . TYR A 221 ? 0.4468 0.5891 0.4920 -0.0059 0.0309 0.0556 842 TYR A CA 1480 C C . TYR A 221 ? 0.4565 0.6223 0.4980 -0.0005 0.0483 0.0615 842 TYR A C 1481 O O . TYR A 221 ? 0.5086 0.7101 0.5704 -0.0125 0.0536 0.0755 842 TYR A O 1482 C CB . TYR A 221 ? 0.4355 0.6089 0.5088 0.0016 0.0276 0.0589 842 TYR A CB 1483 C CG . TYR A 221 ? 0.4610 0.6088 0.5317 -0.0012 0.0111 0.0526 842 TYR A CG 1484 C CD1 . TYR A 221 ? 0.4795 0.6006 0.5326 0.0154 0.0091 0.0413 842 TYR A CD1 1485 C CD2 . TYR A 221 ? 0.4539 0.5997 0.5346 -0.0212 -0.0034 0.0583 842 TYR A CD2 1486 C CE1 . TYR A 221 ? 0.4555 0.5540 0.5032 0.0119 -0.0043 0.0372 842 TYR A CE1 1487 C CE2 . TYR A 221 ? 0.5146 0.6351 0.5869 -0.0225 -0.0172 0.0522 842 TYR A CE2 1488 C CZ . TYR A 221 ? 0.5083 0.6074 0.5648 -0.0059 -0.0165 0.0422 842 TYR A CZ 1489 O OH . TYR A 221 ? 0.4487 0.5240 0.4941 -0.0083 -0.0286 0.0379 842 TYR A OH 1490 N N . VAL A 222 ? 0.4486 0.5936 0.4620 0.0166 0.0566 0.0516 843 VAL A N 1491 C CA . VAL A 222 ? 0.4993 0.6607 0.4994 0.0269 0.0746 0.0544 843 VAL A CA 1492 C C . VAL A 222 ? 0.4862 0.6734 0.4941 0.0536 0.0863 0.0508 843 VAL A C 1493 O O . VAL A 222 ? 0.4689 0.6296 0.4641 0.0703 0.0802 0.0384 843 VAL A O 1494 C CB . VAL A 222 ? 0.5847 0.7013 0.5419 0.0324 0.0743 0.0437 843 VAL A CB 1495 C CG1 . VAL A 222 ? 0.6792 0.8067 0.6131 0.0466 0.0931 0.0446 843 VAL A CG1 1496 C CG2 . VAL A 222 ? 0.5985 0.6906 0.5481 0.0105 0.0625 0.0471 843 VAL A CG2 1497 N N . VAL A 223 ? 0.4863 0.7233 0.5119 0.0586 0.1036 0.0619 844 VAL A N 1498 C CA . VAL A 223 ? 0.5806 0.8492 0.6133 0.0893 0.1189 0.0592 844 VAL A CA 1499 C C . VAL A 223 ? 0.6555 0.8889 0.6383 0.1125 0.1303 0.0456 844 VAL A C 1500 O O . VAL A 223 ? 0.6290 0.8503 0.5858 0.1032 0.1374 0.0480 844 VAL A O 1501 C CB . VAL A 223 ? 0.5360 0.8790 0.6079 0.0854 0.1360 0.0781 844 VAL A CB 1502 C CG1 . VAL A 223 ? 0.5647 0.9463 0.6424 0.1225 0.1564 0.0754 844 VAL A CG1 1503 C CG2 . VAL A 223 ? 0.5388 0.9128 0.6582 0.0616 0.1203 0.0911 844 VAL A CG2 1504 N N . ARG A 224 ? 0.7334 0.9474 0.7004 0.1425 0.1304 0.0320 845 ARG A N 1505 C CA . ARG A 224 ? 0.8371 1.0099 0.7511 0.1682 0.1384 0.0168 845 ARG A CA 1506 C C . ARG A 224 ? 0.8398 1.0172 0.7527 0.2064 0.1436 0.0077 845 ARG A C 1507 O O . ARG A 224 ? 0.8857 1.0209 0.7867 0.2141 0.1267 -0.0028 845 ARG A O 1508 C CB . ARG A 224 ? 0.9549 1.0570 0.8301 0.1544 0.1185 0.0050 845 ARG A CB 1509 C CG . ARG A 224 ? 1.2166 1.2706 1.0321 0.1684 0.1220 -0.0079 845 ARG A CG 1510 C CD . ARG A 224 ? 1.4853 1.4837 1.2746 0.1460 0.1006 -0.0141 845 ARG A CD 1511 N NE . ARG A 224 ? 1.4569 1.4313 1.2049 0.1408 0.1033 -0.0161 845 ARG A NE 1512 C CZ . ARG A 224 ? 1.2818 1.2617 1.0339 0.1162 0.1000 -0.0066 845 ARG A CZ 1513 N NH1 . ARG A 224 ? 1.2027 1.2100 0.9973 0.0931 0.0945 0.0055 845 ARG A NH1 1514 N NH2 . ARG A 224 ? 1.2814 1.2343 0.9895 0.1156 0.1008 -0.0095 845 ARG A NH2 1515 N N . GLY A 225 ? 0.8163 1.0475 0.7429 0.2300 0.1673 0.0134 846 GLY A N 1516 C CA . GLY A 225 ? 0.8561 1.1085 0.7927 0.2700 0.1750 0.0080 846 GLY A CA 1517 C C . GLY A 225 ? 0.9138 1.1902 0.9000 0.2644 0.1581 0.0147 846 GLY A C 1518 O O . GLY A 225 ? 0.7684 1.1017 0.8069 0.2405 0.1572 0.0320 846 GLY A O 1519 N N . ASN A 226 ? 0.9226 1.1499 0.8878 0.2842 0.1424 0.0015 847 ASN A N 1520 C CA . ASN A 226 ? 0.9081 1.1435 0.9084 0.2799 0.1230 0.0061 847 ASN A CA 1521 C C . ASN A 226 ? 0.8011 1.0102 0.8087 0.2375 0.1018 0.0104 847 ASN A C 1522 O O . ASN A 226 ? 0.7885 1.0199 0.8325 0.2256 0.0882 0.0188 847 ASN A O 1523 C CB . ASN A 226 ? 1.0599 1.2434 1.0278 0.3147 0.1124 -0.0087 847 ASN A CB 1524 N N . ALA A 227 ? 0.6883 0.8519 0.6612 0.2162 0.0985 0.0048 848 ALA A N 1525 C CA . ALA A 227 ? 0.6518 0.7834 0.6244 0.1824 0.0792 0.0060 848 ALA A CA 1526 C C . ALA A 227 ? 0.5749 0.7467 0.5818 0.1497 0.0804 0.0204 848 ALA A C 1527 O O . ALA A 227 ? 0.5598 0.7702 0.5778 0.1467 0.0963 0.0288 848 ALA A O 1528 C CB . ALA A 227 ? 0.6675 0.7323 0.5888 0.1770 0.0726 -0.0066 848 ALA A CB 1529 N N . ARG A 228 ? 0.5657 0.7240 0.5848 0.1262 0.0630 0.0233 849 ARG A N 1530 C CA . ARG A 228 ? 0.5285 0.7057 0.5700 0.0949 0.0583 0.0342 849 ARG A CA 1531 C C . ARG A 228 ? 0.5021 0.6261 0.5175 0.0790 0.0447 0.0263 849 ARG A C 1532 O O . ARG A 228 ? 0.5953 0.6990 0.6104 0.0766 0.0314 0.0232 849 ARG A O 1533 C CB . ARG A 228 ? 0.6168 0.8341 0.7007 0.0863 0.0491 0.0453 849 ARG A CB 1534 C CG . ARG A 228 ? 0.5900 0.8666 0.7073 0.1061 0.0598 0.0535 849 ARG A CG 1535 C CD . ARG A 228 ? 0.5965 0.9248 0.7352 0.0966 0.0769 0.0668 849 ARG A CD 1536 N NE . ARG A 228 ? 0.5426 0.9374 0.7193 0.1172 0.0887 0.0760 849 ARG A NE 1537 C CZ . ARG A 228 ? 0.5495 0.9607 0.7175 0.1521 0.1075 0.0705 849 ARG A CZ 1538 N NH1 . ARG A 228 ? 0.6233 0.9834 0.7404 0.1699 0.1160 0.0551 849 ARG A NH1 1539 N NH2 . ARG A 228 ? 0.5183 0.9993 0.7288 0.1705 0.1178 0.0809 849 ARG A NH2 1540 N N . LEU A 229 ? 0.4702 0.5734 0.4630 0.0694 0.0485 0.0239 850 LEU A N 1541 C CA . LEU A 229 ? 0.5027 0.5586 0.4689 0.0605 0.0380 0.0154 850 LEU A CA 1542 C C . LEU A 229 ? 0.5077 0.5610 0.4833 0.0360 0.0299 0.0206 850 LEU A C 1543 O O . LEU A 229 ? 0.4405 0.5072 0.4196 0.0256 0.0349 0.0274 850 LEU A O 1544 C CB . LEU A 229 ? 0.5434 0.5742 0.4749 0.0687 0.0444 0.0082 850 LEU A CB 1545 C CG . LEU A 229 ? 0.6809 0.7017 0.5900 0.0960 0.0524 0.0000 850 LEU A CG 1546 C CD1 . LEU A 229 ? 0.7154 0.7132 0.5869 0.1006 0.0588 -0.0057 850 LEU A CD1 1547 C CD2 . LEU A 229 ? 0.6587 0.6431 0.5534 0.1051 0.0401 -0.0085 850 LEU A CD2 1548 N N . PRO A 230 ? 0.4908 0.5237 0.4663 0.0279 0.0178 0.0175 851 PRO A N 1549 C CA . PRO A 230 ? 0.4323 0.4570 0.4108 0.0099 0.0106 0.0199 851 PRO A CA 1550 C C . PRO A 230 ? 0.4205 0.4211 0.3783 0.0064 0.0099 0.0152 851 PRO A C 1551 O O . PRO A 230 ? 0.4055 0.3861 0.3554 0.0034 0.0033 0.0104 851 PRO A O 1552 C CB . PRO A 230 ? 0.4550 0.4697 0.4375 0.0078 0.0010 0.0176 851 PRO A CB 1553 C CG . PRO A 230 ? 0.4885 0.4874 0.4574 0.0214 0.0012 0.0115 851 PRO A CG 1554 C CD . PRO A 230 ? 0.4632 0.4779 0.4325 0.0364 0.0108 0.0119 851 PRO A CD 1555 N N . VAL A 231 ? 0.4407 0.4460 0.3899 0.0069 0.0167 0.0178 852 VAL A N 1556 C CA . VAL A 231 ? 0.4604 0.4431 0.3859 0.0073 0.0153 0.0132 852 VAL A CA 1557 C C . VAL A 231 ? 0.4124 0.3801 0.3381 -0.0028 0.0050 0.0119 852 VAL A C 1558 O O . VAL A 231 ? 0.4084 0.3591 0.3230 -0.0025 -0.0007 0.0066 852 VAL A O 1559 C CB . VAL A 231 ? 0.4999 0.4910 0.4133 0.0085 0.0244 0.0181 852 VAL A CB 1560 C CG1 . VAL A 231 ? 0.5005 0.4688 0.3913 0.0041 0.0186 0.0162 852 VAL A CG1 1561 C CG2 . VAL A 231 ? 0.5224 0.5209 0.4246 0.0257 0.0359 0.0148 852 VAL A CG2 1562 N N . LYS A 232 ? 0.3846 0.3587 0.3227 -0.0116 0.0021 0.0172 853 LYS A N 1563 C CA . LYS A 232 ? 0.3872 0.3490 0.3250 -0.0164 -0.0061 0.0157 853 LYS A CA 1564 C C . LYS A 232 ? 0.4134 0.3714 0.3571 -0.0153 -0.0098 0.0106 853 LYS A C 1565 O O . LYS A 232 ? 0.4344 0.3879 0.3793 -0.0164 -0.0143 0.0090 853 LYS A O 1566 C CB . LYS A 232 ? 0.4401 0.4012 0.3825 -0.0238 -0.0095 0.0218 853 LYS A CB 1567 C CG . LYS A 232 ? 0.4301 0.3901 0.3623 -0.0283 -0.0075 0.0291 853 LYS A CG 1568 C CD . LYS A 232 ? 0.4162 0.3646 0.3475 -0.0370 -0.0149 0.0351 853 LYS A CD 1569 C CE . LYS A 232 ? 0.4721 0.4130 0.3886 -0.0430 -0.0152 0.0439 853 LYS A CE 1570 N NZ . LYS A 232 ? 0.4468 0.3658 0.3572 -0.0510 -0.0260 0.0495 853 LYS A NZ 1571 N N . TRP A 233 ? 0.3884 0.3499 0.3357 -0.0122 -0.0076 0.0089 854 TRP A N 1572 C CA . TRP A 233 ? 0.4113 0.3672 0.3594 -0.0124 -0.0103 0.0058 854 TRP A CA 1573 C C . TRP A 233 ? 0.4309 0.3755 0.3681 -0.0105 -0.0115 0.0027 854 TRP A C 1574 O O . TRP A 233 ? 0.4341 0.3732 0.3703 -0.0139 -0.0141 0.0022 854 TRP A O 1575 C CB . TRP A 233 ? 0.3970 0.3580 0.3519 -0.0118 -0.0108 0.0072 854 TRP A CB 1576 C CG . TRP A 233 ? 0.4043 0.3667 0.3640 -0.0168 -0.0140 0.0089 854 TRP A CG 1577 C CD1 . TRP A 233 ? 0.4009 0.3557 0.3566 -0.0178 -0.0166 0.0066 854 TRP A CD1 1578 C CD2 . TRP A 233 ? 0.4155 0.3830 0.3802 -0.0217 -0.0156 0.0136 854 TRP A CD2 1579 N NE1 . TRP A 233 ? 0.3886 0.3382 0.3431 -0.0211 -0.0211 0.0076 854 TRP A NE1 1580 C CE2 . TRP A 233 ? 0.3833 0.3394 0.3439 -0.0255 -0.0218 0.0126 854 TRP A CE2 1581 C CE3 . TRP A 233 ? 0.3748 0.3544 0.3445 -0.0239 -0.0121 0.0192 854 TRP A CE3 1582 C CZ2 . TRP A 233 ? 0.4027 0.3531 0.3626 -0.0334 -0.0277 0.0171 854 TRP A CZ2 1583 C CZ3 . TRP A 233 ? 0.4258 0.4065 0.3988 -0.0338 -0.0161 0.0258 854 TRP A CZ3 1584 C CH2 . TRP A 233 ? 0.4050 0.3681 0.3723 -0.0393 -0.0253 0.0246 854 TRP A CH2 1585 N N . MET A 234 ? 0.4353 0.3733 0.3605 -0.0060 -0.0103 0.0011 855 MET A N 1586 C CA . MET A 234 ? 0.4615 0.3799 0.3693 -0.0023 -0.0133 -0.0029 855 MET A CA 1587 C C . MET A 234 ? 0.4834 0.3890 0.3817 -0.0109 -0.0212 -0.0041 855 MET A C 1588 O O . MET A 234 ? 0.4848 0.3940 0.3817 -0.0132 -0.0228 -0.0034 855 MET A O 1589 C CB . MET A 234 ? 0.4631 0.3777 0.3573 0.0104 -0.0076 -0.0056 855 MET A CB 1590 C CG . MET A 234 ? 0.4588 0.3883 0.3646 0.0203 -0.0018 -0.0038 855 MET A CG 1591 S SD . MET A 234 ? 0.5146 0.4580 0.4143 0.0372 0.0101 -0.0042 855 MET A SD 1592 C CE . MET A 234 ? 0.5513 0.4548 0.4141 0.0516 0.0063 -0.0142 855 MET A CE 1593 N N . ALA A 235 ? 0.4497 0.3393 0.3401 -0.0167 -0.0277 -0.0047 856 ALA A N 1594 C CA . ALA A 235 ? 0.4706 0.3475 0.3518 -0.0278 -0.0380 -0.0045 856 ALA A CA 1595 C C . ALA A 235 ? 0.5292 0.3823 0.3825 -0.0219 -0.0424 -0.0100 856 ALA A C 1596 O O . ALA A 235 ? 0.5462 0.3867 0.3832 -0.0078 -0.0367 -0.0146 856 ALA A O 1597 C CB . ALA A 235 ? 0.5027 0.3633 0.3775 -0.0377 -0.0448 -0.0022 856 ALA A CB 1598 N N . PRO A 236 ? 0.5437 0.3903 0.3898 -0.0315 -0.0530 -0.0096 857 PRO A N 1599 C CA . PRO A 236 ? 0.5538 0.3712 0.3652 -0.0268 -0.0594 -0.0156 857 PRO A CA 1600 C C . PRO A 236 ? 0.5953 0.3732 0.3726 -0.0183 -0.0622 -0.0228 857 PRO A C 1601 O O . PRO A 236 ? 0.6098 0.3725 0.3613 -0.0018 -0.0559 -0.0293 857 PRO A O 1602 C CB . PRO A 236 ? 0.6009 0.4162 0.4134 -0.0440 -0.0761 -0.0123 857 PRO A CB 1603 C CG . PRO A 236 ? 0.5693 0.4254 0.4231 -0.0512 -0.0728 -0.0044 857 PRO A CG 1604 C CD . PRO A 236 ? 0.5897 0.4561 0.4583 -0.0470 -0.0609 -0.0032 857 PRO A CD 1605 N N . GLU A 237 ? 0.5772 0.3378 0.3526 -0.0285 -0.0711 -0.0211 858 GLU A N 1606 C CA . GLU A 237 ? 0.6418 0.3558 0.3805 -0.0200 -0.0770 -0.0277 858 GLU A CA 1607 C C . GLU A 237 ? 0.6324 0.3521 0.3714 0.0045 -0.0617 -0.0315 858 GLU A C 1608 O O . GLU A 237 ? 0.6603 0.3448 0.3655 0.0218 -0.0627 -0.0396 858 GLU A O 1609 C CB . GLU A 237 ? 0.6516 0.3420 0.3858 -0.0401 -0.0920 -0.0224 858 GLU A CB 1610 C CG . GLU A 237 ? 0.6344 0.3510 0.3995 -0.0469 -0.0851 -0.0137 858 GLU A CG 1611 C CD . GLU A 237 ? 0.6706 0.4365 0.4774 -0.0627 -0.0807 -0.0043 858 GLU A CD 1612 O OE1 . GLU A 237 ? 0.5811 0.3679 0.3998 -0.0656 -0.0815 -0.0042 858 GLU A OE1 1613 O OE2 . GLU A 237 ? 0.5929 0.3763 0.4187 -0.0701 -0.0759 0.0029 858 GLU A OE2 1614 N N . SER A 238 ? 0.5671 0.3306 0.3435 0.0065 -0.0488 -0.0258 859 SER A N 1615 C CA . SER A 238 ? 0.5781 0.3584 0.3629 0.0273 -0.0352 -0.0272 859 SER A CA 1616 C C . SER A 238 ? 0.5936 0.3877 0.3717 0.0415 -0.0237 -0.0306 859 SER A C 1617 O O . SER A 238 ? 0.6003 0.3874 0.3621 0.0632 -0.0160 -0.0358 859 SER A O 1618 C CB . SER A 238 ? 0.5090 0.3262 0.3315 0.0216 -0.0290 -0.0196 859 SER A CB 1619 O OG . SER A 238 ? 0.5235 0.3306 0.3498 0.0064 -0.0378 -0.0152 859 SER A OG 1620 N N . LEU A 239 ? 0.5966 0.4104 0.3858 0.0304 -0.0223 -0.0269 860 LEU A N 1621 C CA . LEU A 239 ? 0.6400 0.4652 0.4192 0.0396 -0.0120 -0.0277 860 LEU A CA 1622 C C . LEU A 239 ? 0.6253 0.4140 0.3585 0.0528 -0.0137 -0.0369 860 LEU A C 1623 O O . LEU A 239 ? 0.7381 0.5351 0.4594 0.0717 0.0005 -0.0394 860 LEU A O 1624 C CB . LEU A 239 ? 0.6621 0.5024 0.4529 0.0242 -0.0155 -0.0220 860 LEU A CB 1625 C CG . LEU A 239 ? 0.6483 0.5247 0.4771 0.0159 -0.0103 -0.0134 860 LEU A CG 1626 C CD1 . LEU A 239 ? 0.7514 0.6305 0.5818 0.0044 -0.0174 -0.0095 860 LEU A CD1 1627 C CD2 . LEU A 239 ? 0.6514 0.5545 0.4919 0.0255 0.0050 -0.0092 860 LEU A CD2 1628 N N . PHE A 240 ? 0.6812 0.4309 0.3882 0.0423 -0.0312 -0.0414 861 PHE A N 1629 C CA . PHE A 240 ? 0.7573 0.4622 0.4118 0.0510 -0.0381 -0.0512 861 PHE A CA 1630 C C . PHE A 240 ? 0.8111 0.4701 0.4300 0.0664 -0.0434 -0.0610 861 PHE A C 1631 O O . PHE A 240 ? 0.8670 0.4937 0.4407 0.0846 -0.0414 -0.0709 861 PHE A O 1632 C CB . PHE A 240 ? 0.7881 0.4743 0.4306 0.0287 -0.0579 -0.0499 861 PHE A CB 1633 C CG . PHE A 240 ? 0.7953 0.5214 0.4677 0.0177 -0.0542 -0.0409 861 PHE A CG 1634 C CD1 . PHE A 240 ? 0.9007 0.6447 0.5666 0.0293 -0.0388 -0.0394 861 PHE A CD1 1635 C CD2 . PHE A 240 ? 0.7906 0.5380 0.4981 -0.0029 -0.0648 -0.0328 861 PHE A CD2 1636 C CE1 . PHE A 240 ? 0.8841 0.6586 0.5746 0.0191 -0.0371 -0.0302 861 PHE A CE1 1637 C CE2 . PHE A 240 ? 0.7487 0.5289 0.4819 -0.0090 -0.0620 -0.0251 861 PHE A CE2 1638 C CZ . PHE A 240 ? 0.7734 0.5635 0.4966 0.0015 -0.0495 -0.0238 861 PHE A CZ 1639 N N . GLU A 241 ? 0.8451 0.4961 0.4787 0.0599 -0.0511 -0.0585 862 GLU A N 1640 C CA . GLU A 241 ? 0.9232 0.5207 0.5185 0.0733 -0.0603 -0.0670 862 GLU A CA 1641 C C . GLU A 241 ? 0.8525 0.4657 0.4686 0.0910 -0.0504 -0.0652 862 GLU A C 1642 O O . GLU A 241 ? 0.9381 0.5078 0.5212 0.1086 -0.0562 -0.0726 862 GLU A O 1643 C CB . GLU A 241 ? 1.0122 0.5672 0.5909 0.0463 -0.0857 -0.0652 862 GLU A CB 1644 C CG . GLU A 241 ? 1.2184 0.7519 0.7728 0.0280 -0.1015 -0.0671 862 GLU A CG 1645 C CD . GLU A 241 ? 1.3965 0.9336 0.9730 -0.0081 -0.1207 -0.0565 862 GLU A CD 1646 O OE1 . GLU A 241 ? 1.4419 1.0238 1.0547 -0.0237 -0.1192 -0.0484 862 GLU A OE1 1647 O OE2 . GLU A 241 ? 1.4427 0.9400 1.0016 -0.0206 -0.1371 -0.0553 862 GLU A OE2 1648 N N . GLY A 242 ? 0.8046 0.4762 0.4713 0.0882 -0.0370 -0.0559 863 GLY A N 1649 C CA . GLY A 242 ? 0.8062 0.4964 0.4961 0.1018 -0.0308 -0.0525 863 GLY A CA 1650 C C . GLY A 242 ? 0.7885 0.4510 0.4774 0.0877 -0.0464 -0.0484 863 GLY A C 1651 O O . GLY A 242 ? 0.7722 0.4267 0.4603 0.1032 -0.0469 -0.0485 863 GLY A O 1652 N N . ILE A 243 ? 0.8297 0.4820 0.5204 0.0582 -0.0587 -0.0434 864 ILE A N 1653 C CA . ILE A 243 ? 0.8309 0.4582 0.5183 0.0390 -0.0730 -0.0371 864 ILE A CA 1654 C C . ILE A 243 ? 0.7210 0.3996 0.4551 0.0269 -0.0645 -0.0265 864 ILE A C 1655 O O . ILE A 243 ? 0.7068 0.4260 0.4690 0.0178 -0.0565 -0.0234 864 ILE A O 1656 C CB . ILE A 243 ? 0.8946 0.4893 0.5603 0.0126 -0.0903 -0.0361 864 ILE A CB 1657 C CG1 . ILE A 243 ? 1.0329 0.5616 0.6415 0.0253 -0.1030 -0.0477 864 ILE A CG1 1658 C CG2 . ILE A 243 ? 0.9077 0.4943 0.5816 -0.0154 -0.1021 -0.0249 864 ILE A CG2 1659 C CD1 . ILE A 243 ? 1.1566 0.6579 0.7419 0.0028 -0.1198 -0.0490 864 ILE A CD1 1660 N N . TYR A 244 ? 0.6627 0.3344 0.3998 0.0284 -0.0674 -0.0216 865 TYR A N 1661 C CA . TYR A 244 ? 0.6583 0.3674 0.4290 0.0164 -0.0620 -0.0121 865 TYR A CA 1662 C C . TYR A 244 ? 0.7161 0.3966 0.4728 -0.0023 -0.0735 -0.0041 865 TYR A C 1663 O O . TYR A 244 ? 0.7329 0.3757 0.4649 0.0068 -0.0820 -0.0040 865 TYR A O 1664 C CB . TYR A 244 ? 0.6947 0.4296 0.4836 0.0371 -0.0537 -0.0120 865 TYR A CB 1665 C CG . TYR A 244 ? 0.6823 0.4527 0.4894 0.0519 -0.0409 -0.0164 865 TYR A CG 1666 C CD1 . TYR A 244 ? 0.7115 0.4685 0.4999 0.0758 -0.0375 -0.0244 865 TYR A CD1 1667 C CD2 . TYR A 244 ? 0.6612 0.4762 0.5007 0.0425 -0.0320 -0.0123 865 TYR A CD2 1668 C CE1 . TYR A 244 ? 0.7227 0.5157 0.5270 0.0877 -0.0238 -0.0263 865 TYR A CE1 1669 C CE2 . TYR A 244 ? 0.6406 0.4859 0.4946 0.0526 -0.0211 -0.0139 865 TYR A CE2 1670 C CZ . TYR A 244 ? 0.6884 0.5256 0.5262 0.0741 -0.0161 -0.0200 865 TYR A CZ 1671 O OH . TYR A 244 ? 0.7390 0.6093 0.5902 0.0827 -0.0034 -0.0196 865 TYR A OH 1672 N N . THR A 245 ? 0.6518 0.3506 0.4235 -0.0277 -0.0736 0.0033 866 THR A N 1673 C CA . THR A 245 ? 0.6529 0.3394 0.4188 -0.0498 -0.0801 0.0142 866 THR A CA 1674 C C . THR A 245 ? 0.5939 0.3289 0.3919 -0.0581 -0.0678 0.0211 866 THR A C 1675 O O . THR A 245 ? 0.5670 0.3397 0.3901 -0.0496 -0.0571 0.0171 866 THR A O 1676 C CB . THR A 245 ? 0.6660 0.3331 0.4200 -0.0753 -0.0919 0.0188 866 THR A CB 1677 O OG1 . THR A 245 ? 0.6564 0.3681 0.4408 -0.0842 -0.0850 0.0193 866 THR A OG1 1678 C CG2 . THR A 245 ? 0.7360 0.3481 0.4513 -0.0675 -0.1062 0.0101 866 THR A CG2 1679 N N . ILE A 246 ? 0.5949 0.3263 0.3885 -0.0760 -0.0694 0.0320 867 ILE A N 1680 C CA . ILE A 246 ? 0.5784 0.3532 0.3967 -0.0844 -0.0569 0.0384 867 ILE A CA 1681 C C . ILE A 246 ? 0.5200 0.3345 0.3664 -0.0925 -0.0501 0.0379 867 ILE A C 1682 O O . ILE A 246 ? 0.5147 0.3658 0.3829 -0.0870 -0.0384 0.0369 867 ILE A O 1683 C CB . ILE A 246 ? 0.6513 0.4142 0.4545 -0.1018 -0.0581 0.0515 867 ILE A CB 1684 C CG1 . ILE A 246 ? 0.6587 0.4595 0.4775 -0.1004 -0.0435 0.0549 867 ILE A CG1 1685 C CG2 . ILE A 246 ? 0.6915 0.4445 0.4888 -0.1297 -0.0655 0.0622 867 ILE A CG2 1686 C CD1 . ILE A 246 ? 0.6162 0.4131 0.4303 -0.0792 -0.0424 0.0484 867 ILE A CD1 1687 N N . LYS A 247 ? 0.5487 0.3521 0.3918 -0.1036 -0.0596 0.0380 868 LYS A N 1688 C CA . LYS A 247 ? 0.5797 0.4183 0.4486 -0.1096 -0.0570 0.0377 868 LYS A CA 1689 C C . LYS A 247 ? 0.5476 0.3985 0.4260 -0.0887 -0.0517 0.0264 868 LYS A C 1690 O O . LYS A 247 ? 0.5110 0.3970 0.4136 -0.0875 -0.0453 0.0263 868 LYS A O 1691 C CB . LYS A 247 ? 0.6276 0.4472 0.4872 -0.1303 -0.0727 0.0421 868 LYS A CB 1692 C CG . LYS A 247 ? 0.7020 0.5163 0.5570 -0.1569 -0.0778 0.0569 868 LYS A CG 1693 C CD . LYS A 247 ? 0.9530 0.7473 0.7992 -0.1822 -0.0970 0.0629 868 LYS A CD 1694 C CE . LYS A 247 ? 1.0333 0.7544 0.8318 -0.1822 -0.1161 0.0571 868 LYS A CE 1695 N NZ . LYS A 247 ? 0.9682 0.6691 0.7564 -0.2000 -0.1362 0.0569 868 LYS A NZ 1696 N N . SER A 248 ? 0.5520 0.3753 0.4113 -0.0720 -0.0542 0.0180 869 SER A N 1697 C CA . SER A 248 ? 0.5242 0.3633 0.3930 -0.0529 -0.0464 0.0100 869 SER A CA 1698 C C . SER A 248 ? 0.4538 0.3228 0.3429 -0.0472 -0.0354 0.0116 869 SER A C 1699 O O . SER A 248 ? 0.4707 0.3630 0.3759 -0.0418 -0.0296 0.0093 869 SER A O 1700 C CB . SER A 248 ? 0.5422 0.3533 0.3894 -0.0346 -0.0483 0.0026 869 SER A CB 1701 O OG . SER A 248 ? 0.7544 0.5249 0.5721 -0.0378 -0.0602 -0.0001 869 SER A OG 1702 N N . ASP A 249 ? 0.4857 0.3480 0.3687 -0.0485 -0.0345 0.0157 870 ASP A N 1703 C CA . ASP A 249 ? 0.4426 0.3265 0.3373 -0.0451 -0.0265 0.0172 870 ASP A CA 1704 C C . ASP A 249 ? 0.4264 0.3392 0.3380 -0.0528 -0.0193 0.0202 870 ASP A C 1705 O O . ASP A 249 ? 0.4284 0.3578 0.3494 -0.0453 -0.0132 0.0175 870 ASP A O 1706 C CB . ASP A 249 ? 0.5017 0.3682 0.3804 -0.0460 -0.0289 0.0217 870 ASP A CB 1707 C CG . ASP A 249 ? 0.5702 0.4205 0.4404 -0.0308 -0.0340 0.0180 870 ASP A CG 1708 O OD1 . ASP A 249 ? 0.5382 0.4041 0.4218 -0.0197 -0.0312 0.0129 870 ASP A OD1 1709 O OD2 . ASP A 249 ? 0.5530 0.3769 0.4040 -0.0299 -0.0411 0.0213 870 ASP A OD2 1710 N N . VAL A 250 ? 0.4387 0.3578 0.3542 -0.0672 -0.0208 0.0262 871 VAL A N 1711 C CA . VAL A 250 ? 0.4428 0.3975 0.3799 -0.0711 -0.0131 0.0295 871 VAL A CA 1712 C C . VAL A 250 ? 0.4410 0.4097 0.3927 -0.0603 -0.0129 0.0230 871 VAL A C 1713 O O . VAL A 250 ? 0.4352 0.4246 0.3983 -0.0519 -0.0054 0.0214 871 VAL A O 1714 C CB . VAL A 250 ? 0.4680 0.4344 0.4124 -0.0910 -0.0161 0.0397 871 VAL A CB 1715 C CG1 . VAL A 250 ? 0.4404 0.4522 0.4144 -0.0915 -0.0090 0.0431 871 VAL A CG1 1716 C CG2 . VAL A 250 ? 0.5159 0.4724 0.4451 -0.1026 -0.0132 0.0486 871 VAL A CG2 1717 N N . TRP A 251 ? 0.4449 0.3981 0.3912 -0.0596 -0.0214 0.0193 872 TRP A N 1718 C CA . TRP A 251 ? 0.4143 0.3749 0.3683 -0.0501 -0.0221 0.0143 872 TRP A CA 1719 C C . TRP A 251 ? 0.4020 0.3634 0.3559 -0.0375 -0.0158 0.0101 872 TRP A C 1720 O O . TRP A 251 ? 0.3848 0.3602 0.3488 -0.0314 -0.0126 0.0090 872 TRP A O 1721 C CB . TRP A 251 ? 0.4485 0.3869 0.3878 -0.0504 -0.0309 0.0109 872 TRP A CB 1722 C CG . TRP A 251 ? 0.3989 0.3419 0.3406 -0.0423 -0.0314 0.0075 872 TRP A CG 1723 C CD1 . TRP A 251 ? 0.3920 0.3361 0.3334 -0.0317 -0.0257 0.0047 872 TRP A CD1 1724 C CD2 . TRP A 251 ? 0.4028 0.3486 0.3456 -0.0462 -0.0396 0.0082 872 TRP A CD2 1725 N NE1 . TRP A 251 ? 0.4282 0.3740 0.3686 -0.0291 -0.0285 0.0042 872 TRP A NE1 1726 C CE2 . TRP A 251 ? 0.4448 0.3905 0.3848 -0.0366 -0.0374 0.0057 872 TRP A CE2 1727 C CE3 . TRP A 251 ? 0.4438 0.3916 0.3891 -0.0589 -0.0505 0.0118 872 TRP A CE3 1728 C CZ2 . TRP A 251 ? 0.4177 0.3634 0.3546 -0.0371 -0.0452 0.0063 872 TRP A CZ2 1729 C CZ3 . TRP A 251 ? 0.4744 0.4248 0.4196 -0.0595 -0.0597 0.0119 872 TRP A CZ3 1730 C CH2 . TRP A 251 ? 0.4370 0.3849 0.3764 -0.0477 -0.0569 0.0089 872 TRP A CH2 1731 N N . SER A 252 ? 0.3852 0.3306 0.3274 -0.0337 -0.0158 0.0083 873 SER A N 1732 C CA . SER A 252 ? 0.4054 0.3524 0.3486 -0.0255 -0.0128 0.0060 873 SER A CA 1733 C C . SER A 252 ? 0.4459 0.4016 0.3916 -0.0246 -0.0084 0.0064 873 SER A C 1734 O O . SER A 252 ? 0.4066 0.3641 0.3541 -0.0193 -0.0079 0.0039 873 SER A O 1735 C CB . SER A 252 ? 0.4279 0.3620 0.3620 -0.0218 -0.0149 0.0058 873 SER A CB 1736 O OG . SER A 252 ? 0.4672 0.3916 0.3951 -0.0180 -0.0172 0.0041 873 SER A OG 1737 N N . TYR A 253 ? 0.4082 0.3664 0.3501 -0.0301 -0.0054 0.0098 874 TYR A N 1738 C CA . TYR A 253 ? 0.4109 0.3787 0.3509 -0.0271 0.0015 0.0098 874 TYR A CA 1739 C C . TYR A 253 ? 0.3964 0.3818 0.3494 -0.0203 0.0052 0.0076 874 TYR A C 1740 O O . TYR A 253 ? 0.4553 0.4388 0.4024 -0.0108 0.0083 0.0035 874 TYR A O 1741 C CB . TYR A 253 ? 0.4352 0.4068 0.3688 -0.0358 0.0061 0.0162 874 TYR A CB 1742 C CG . TYR A 253 ? 0.4295 0.4144 0.3584 -0.0308 0.0166 0.0163 874 TYR A CG 1743 C CD1 . TYR A 253 ? 0.4639 0.4329 0.3721 -0.0249 0.0172 0.0130 874 TYR A CD1 1744 C CD2 . TYR A 253 ? 0.4113 0.4257 0.3559 -0.0300 0.0254 0.0193 874 TYR A CD2 1745 C CE1 . TYR A 253 ? 0.4897 0.4659 0.3859 -0.0176 0.0274 0.0115 874 TYR A CE1 1746 C CE2 . TYR A 253 ? 0.4774 0.5059 0.4155 -0.0210 0.0377 0.0186 874 TYR A CE2 1747 C CZ . TYR A 253 ? 0.4956 0.5018 0.4062 -0.0143 0.0390 0.0139 874 TYR A CZ 1748 O OH . TYR A 253 ? 0.5141 0.5284 0.4107 -0.0030 0.0513 0.0115 874 TYR A OH 1749 N N . GLY A 254 ? 0.3867 0.3857 0.3544 -0.0242 0.0032 0.0102 875 GLY A N 1750 C CA . GLY A 254 ? 0.4237 0.4385 0.4051 -0.0157 0.0035 0.0087 875 GLY A CA 1751 C C . GLY A 254 ? 0.3856 0.3832 0.3597 -0.0065 -0.0009 0.0034 875 GLY A C 1752 O O . GLY A 254 ? 0.4230 0.4207 0.3956 0.0048 0.0009 0.0002 875 GLY A O 1753 N N . ILE A 255 ? 0.3876 0.3690 0.3550 -0.0113 -0.0064 0.0030 876 ILE A N 1754 C CA . ILE A 255 ? 0.4031 0.3701 0.3640 -0.0075 -0.0105 0.0010 876 ILE A CA 1755 C C . ILE A 255 ? 0.4211 0.3761 0.3707 -0.0034 -0.0099 -0.0022 876 ILE A C 1756 O O . ILE A 255 ? 0.4246 0.3677 0.3675 0.0022 -0.0133 -0.0045 876 ILE A O 1757 C CB . ILE A 255 ? 0.3721 0.3319 0.3302 -0.0130 -0.0134 0.0027 876 ILE A CB 1758 C CG1 . ILE A 255 ? 0.4422 0.4055 0.4022 -0.0161 -0.0155 0.0041 876 ILE A CG1 1759 C CG2 . ILE A 255 ? 0.4097 0.3606 0.3641 -0.0127 -0.0168 0.0037 876 ILE A CG2 1760 C CD1 . ILE A 255 ? 0.4185 0.3848 0.3817 -0.0137 -0.0198 0.0052 876 ILE A CD1 1761 N N . LEU A 256 ? 0.4556 0.4092 0.3990 -0.0066 -0.0074 -0.0021 877 LEU A N 1762 C CA . LEU A 256 ? 0.4429 0.3824 0.3706 -0.0039 -0.0088 -0.0052 877 LEU A CA 1763 C C . LEU A 256 ? 0.4483 0.3865 0.3671 0.0073 -0.0037 -0.0098 877 LEU A C 1764 O O . LEU A 256 ? 0.4649 0.3821 0.3665 0.0127 -0.0084 -0.0145 877 LEU A O 1765 C CB . LEU A 256 ? 0.4321 0.3700 0.3532 -0.0092 -0.0085 -0.0030 877 LEU A CB 1766 C CG . LEU A 256 ? 0.5350 0.4564 0.4367 -0.0088 -0.0132 -0.0051 877 LEU A CG 1767 C CD1 . LEU A 256 ? 0.5999 0.5204 0.5004 -0.0143 -0.0170 -0.0009 877 LEU A CD1 1768 C CD2 . LEU A 256 ? 0.5923 0.5096 0.4758 -0.0019 -0.0059 -0.0087 877 LEU A CD2 1769 N N . LEU A 257 ? 0.4222 0.3827 0.3520 0.0111 0.0051 -0.0081 878 LEU A N 1770 C CA . LEU A 257 ? 0.4358 0.4038 0.3627 0.0262 0.0122 -0.0120 878 LEU A CA 1771 C C . LEU A 257 ? 0.4804 0.4340 0.4054 0.0366 0.0051 -0.0160 878 LEU A C 1772 O O . LEU A 257 ? 0.4843 0.4206 0.3909 0.0509 0.0055 -0.0225 878 LEU A O 1773 C CB . LEU A 257 ? 0.4479 0.4532 0.3968 0.0267 0.0221 -0.0066 878 LEU A CB 1774 C CG . LEU A 257 ? 0.5837 0.6063 0.5305 0.0202 0.0330 -0.0016 878 LEU A CG 1775 C CD1 . LEU A 257 ? 0.5739 0.6388 0.5487 0.0187 0.0408 0.0057 878 LEU A CD1 1776 C CD2 . LEU A 257 ? 0.6287 0.6393 0.5485 0.0321 0.0413 -0.0072 878 LEU A CD2 1777 N N . TRP A 258 ? 0.4809 0.4373 0.4202 0.0301 -0.0019 -0.0121 879 TRP A N 1778 C CA . TRP A 258 ? 0.4793 0.4172 0.4135 0.0373 -0.0107 -0.0136 879 TRP A CA 1779 C C . TRP A 258 ? 0.4749 0.3758 0.3848 0.0342 -0.0194 -0.0168 879 TRP A C 1780 O O . TRP A 258 ? 0.5059 0.3809 0.3984 0.0452 -0.0253 -0.0212 879 TRP A O 1781 C CB . TRP A 258 ? 0.4549 0.4013 0.4039 0.0287 -0.0163 -0.0076 879 TRP A CB 1782 C CG . TRP A 258 ? 0.4649 0.3969 0.4096 0.0373 -0.0246 -0.0073 879 TRP A CG 1783 C CD1 . TRP A 258 ? 0.4843 0.4311 0.4408 0.0499 -0.0258 -0.0066 879 TRP A CD1 1784 C CD2 . TRP A 258 ? 0.4630 0.3624 0.3900 0.0333 -0.0343 -0.0061 879 TRP A CD2 1785 N NE1 . TRP A 258 ? 0.5082 0.4292 0.4523 0.0561 -0.0364 -0.0058 879 TRP A NE1 1786 C CE2 . TRP A 258 ? 0.5027 0.3925 0.4271 0.0446 -0.0415 -0.0050 879 TRP A CE2 1787 C CE3 . TRP A 258 ? 0.4939 0.3735 0.4088 0.0197 -0.0386 -0.0042 879 TRP A CE3 1788 C CZ2 . TRP A 258 ? 0.5095 0.3643 0.4146 0.0417 -0.0530 -0.0019 879 TRP A CZ2 1789 C CZ3 . TRP A 258 ? 0.4982 0.3489 0.3980 0.0147 -0.0492 -0.0003 879 TRP A CZ3 1790 C CH2 . TRP A 258 ? 0.5710 0.4064 0.4636 0.0251 -0.0563 0.0010 879 TRP A CH2 1791 N N . GLU A 259 ? 0.4531 0.3507 0.3613 0.0197 -0.0217 -0.0142 880 GLU A N 1792 C CA . GLU A 259 ? 0.4863 0.3545 0.3749 0.0132 -0.0318 -0.0156 880 GLU A CA 1793 C C . GLU A 259 ? 0.5208 0.3652 0.3820 0.0249 -0.0323 -0.0242 880 GLU A C 1794 O O . GLU A 259 ? 0.5511 0.3598 0.3890 0.0272 -0.0433 -0.0279 880 GLU A O 1795 C CB . GLU A 259 ? 0.4989 0.3763 0.3952 -0.0016 -0.0338 -0.0109 880 GLU A CB 1796 C CG . GLU A 259 ? 0.4641 0.3607 0.3809 -0.0110 -0.0328 -0.0036 880 GLU A CG 1797 C CD . GLU A 259 ? 0.4820 0.3878 0.4056 -0.0206 -0.0352 0.0004 880 GLU A CD 1798 O OE1 . GLU A 259 ? 0.4592 0.3784 0.3885 -0.0189 -0.0296 0.0003 880 GLU A OE1 1799 O OE2 . GLU A 259 ? 0.4682 0.3679 0.3918 -0.0302 -0.0438 0.0046 880 GLU A OE2 1800 N N . ILE A 260 ? 0.5470 0.4079 0.4070 0.0323 -0.0208 -0.0271 881 ILE A N 1801 C CA . ILE A 260 ? 0.5994 0.4389 0.4280 0.0461 -0.0181 -0.0359 881 ILE A CA 1802 C C . ILE A 260 ? 0.6207 0.4441 0.4364 0.0672 -0.0175 -0.0428 881 ILE A C 1803 O O . ILE A 260 ? 0.6590 0.4394 0.4407 0.0749 -0.0272 -0.0505 881 ILE A O 1804 C CB . ILE A 260 ? 0.5697 0.4350 0.3993 0.0494 -0.0028 -0.0352 881 ILE A CB 1805 C CG1 . ILE A 260 ? 0.5601 0.4251 0.3894 0.0317 -0.0080 -0.0301 881 ILE A CG1 1806 C CG2 . ILE A 260 ? 0.6262 0.4745 0.4219 0.0686 0.0046 -0.0446 881 ILE A CG2 1807 C CD1 . ILE A 260 ? 0.5834 0.4708 0.4147 0.0295 0.0043 -0.0260 881 ILE A CD1 1808 N N . PHE A 261 ? 0.5741 0.4301 0.4158 0.0768 -0.0081 -0.0400 882 PHE A N 1809 C CA . PHE A 261 ? 0.6107 0.4606 0.4459 0.1015 -0.0059 -0.0459 882 PHE A CA 1810 C C . PHE A 261 ? 0.5924 0.4110 0.4220 0.1024 -0.0219 -0.0452 882 PHE A C 1811 O O . PHE A 261 ? 0.6155 0.4252 0.4391 0.1246 -0.0227 -0.0496 882 PHE A O 1812 C CB . PHE A 261 ? 0.5636 0.4674 0.4306 0.1122 0.0107 -0.0420 882 PHE A CB 1813 C CG . PHE A 261 ? 0.5328 0.4581 0.3937 0.1159 0.0272 -0.0433 882 PHE A CG 1814 C CD1 . PHE A 261 ? 0.5801 0.4933 0.4124 0.1411 0.0366 -0.0530 882 PHE A CD1 1815 C CD2 . PHE A 261 ? 0.5395 0.4908 0.4164 0.0949 0.0329 -0.0351 882 PHE A CD2 1816 C CE1 . PHE A 261 ? 0.6397 0.5714 0.4608 0.1439 0.0533 -0.0532 882 PHE A CE1 1817 C CE2 . PHE A 261 ? 0.5365 0.5036 0.4031 0.0962 0.0476 -0.0344 882 PHE A CE2 1818 C CZ . PHE A 261 ? 0.5918 0.5513 0.4309 0.1201 0.0587 -0.0429 882 PHE A CZ 1819 N N . SER A 262 ? 0.5988 0.4021 0.4300 0.0793 -0.0341 -0.0389 883 SER A N 1820 C CA . SER A 262 ? 0.6178 0.3801 0.4325 0.0744 -0.0512 -0.0370 883 SER A CA 1821 C C . SER A 262 ? 0.6636 0.3778 0.4441 0.0632 -0.0655 -0.0401 883 SER A C 1822 O O . SER A 262 ? 0.6831 0.3598 0.4471 0.0560 -0.0810 -0.0373 883 SER A O 1823 C CB . SER A 262 ? 0.5799 0.3622 0.4206 0.0547 -0.0544 -0.0252 883 SER A CB 1824 O OG . SER A 262 ? 0.5215 0.3203 0.3740 0.0331 -0.0527 -0.0198 883 SER A OG 1825 N N . LEU A 263 ? 0.6659 0.3783 0.4333 0.0610 -0.0622 -0.0453 884 LEU A N 1826 C CA . LEU A 263 ? 0.6808 0.3551 0.4213 0.0443 -0.0784 -0.0461 884 LEU A CA 1827 C C . LEU A 263 ? 0.6533 0.3379 0.4157 0.0145 -0.0888 -0.0329 884 LEU A C 1828 O O . LEU A 263 ? 0.6776 0.3270 0.4227 -0.0012 -0.1068 -0.0294 884 LEU A O 1829 C CB . LEU A 263 ? 0.7495 0.3586 0.4407 0.0570 -0.0933 -0.0562 884 LEU A CB 1830 C CG . LEU A 263 ? 0.8413 0.4378 0.5046 0.0908 -0.0817 -0.0708 884 LEU A CG 1831 C CD1 . LEU A 263 ? 0.9147 0.4361 0.5218 0.1024 -0.0999 -0.0817 884 LEU A CD1 1832 C CD2 . LEU A 263 ? 0.8701 0.4911 0.5300 0.0947 -0.0674 -0.0752 884 LEU A CD2 1833 N N . GLY A 264 ? 0.5987 0.3326 0.3982 0.0068 -0.0769 -0.0255 885 GLY A N 1834 C CA . GLY A 264 ? 0.6286 0.3829 0.4512 -0.0167 -0.0815 -0.0139 885 GLY A CA 1835 C C . GLY A 264 ? 0.5839 0.3427 0.4204 -0.0269 -0.0844 -0.0039 885 GLY A C 1836 O O . GLY A 264 ? 0.6519 0.4139 0.4965 -0.0475 -0.0925 0.0060 885 GLY A O 1837 N N . VAL A 265 ? 0.5898 0.3514 0.4292 -0.0132 -0.0781 -0.0052 886 VAL A N 1838 C CA . VAL A 265 ? 0.5752 0.3406 0.4238 -0.0217 -0.0801 0.0047 886 VAL A CA 1839 C C . VAL A 265 ? 0.5403 0.3522 0.4192 -0.0293 -0.0678 0.0110 886 VAL A C 1840 O O . VAL A 265 ? 0.5053 0.3429 0.3973 -0.0211 -0.0571 0.0061 886 VAL A O 1841 C CB . VAL A 265 ? 0.6082 0.3564 0.4462 -0.0028 -0.0812 0.0012 886 VAL A CB 1842 C CG1 . VAL A 265 ? 0.5802 0.3335 0.4252 -0.0114 -0.0830 0.0122 886 VAL A CG1 1843 C CG2 . VAL A 265 ? 0.5898 0.2830 0.3915 0.0064 -0.0954 -0.0052 886 VAL A CG2 1844 N N . ASN A 266 ? 0.5442 0.3644 0.4309 -0.0454 -0.0694 0.0224 887 ASN A N 1845 C CA . ASN A 266 ? 0.4831 0.3417 0.3918 -0.0488 -0.0574 0.0277 887 ASN A CA 1846 C C . ASN A 266 ? 0.5083 0.3751 0.4193 -0.0336 -0.0504 0.0227 887 ASN A C 1847 O O . ASN A 266 ? 0.4877 0.3354 0.3872 -0.0271 -0.0558 0.0228 887 ASN A O 1848 C CB . ASN A 266 ? 0.5555 0.4191 0.4664 -0.0659 -0.0587 0.0414 887 ASN A CB 1849 C CG . ASN A 266 ? 0.6283 0.5311 0.5578 -0.0674 -0.0449 0.0462 887 ASN A CG 1850 O OD1 . ASN A 266 ? 0.6608 0.5687 0.5864 -0.0695 -0.0401 0.0526 887 ASN A OD1 1851 N ND2 . ASN A 266 ? 0.5925 0.5199 0.5385 -0.0654 -0.0394 0.0433 887 ASN A ND2 1852 N N . PRO A 267 ? 0.4558 0.3490 0.3810 -0.0283 -0.0406 0.0190 888 PRO A N 1853 C CA . PRO A 267 ? 0.4330 0.3352 0.3617 -0.0186 -0.0369 0.0162 888 PRO A CA 1854 C C . PRO A 267 ? 0.4550 0.3542 0.3774 -0.0222 -0.0386 0.0230 888 PRO A C 1855 O O . PRO A 267 ? 0.4615 0.3625 0.3811 -0.0329 -0.0370 0.0305 888 PRO A O 1856 C CB . PRO A 267 ? 0.4269 0.3516 0.3674 -0.0183 -0.0286 0.0135 888 PRO A CB 1857 C CG . PRO A 267 ? 0.4620 0.3874 0.4046 -0.0217 -0.0282 0.0121 888 PRO A CG 1858 C CD . PRO A 267 ? 0.4956 0.4075 0.4321 -0.0310 -0.0352 0.0175 888 PRO A CD 1859 N N . TYR A 268 ? 0.4566 0.3539 0.3772 -0.0134 -0.0421 0.0214 889 TYR A N 1860 C CA . TYR A 268 ? 0.4526 0.3424 0.3622 -0.0152 -0.0465 0.0276 889 TYR A CA 1861 C C . TYR A 268 ? 0.4433 0.3098 0.3372 -0.0243 -0.0520 0.0361 889 TYR A C 1862 O O . TYR A 268 ? 0.4813 0.3512 0.3685 -0.0354 -0.0481 0.0443 889 TYR A O 1863 C CB . TYR A 268 ? 0.4374 0.3431 0.3467 -0.0197 -0.0396 0.0288 889 TYR A CB 1864 C CG . TYR A 268 ? 0.4479 0.3701 0.3694 -0.0148 -0.0366 0.0215 889 TYR A CG 1865 C CD1 . TYR A 268 ? 0.4877 0.4142 0.4119 -0.0101 -0.0433 0.0198 889 TYR A CD1 1866 C CD2 . TYR A 268 ? 0.4339 0.3671 0.3637 -0.0167 -0.0289 0.0180 889 TYR A CD2 1867 C CE1 . TYR A 268 ? 0.4929 0.4335 0.4277 -0.0105 -0.0422 0.0155 889 TYR A CE1 1868 C CE2 . TYR A 268 ? 0.4007 0.3432 0.3373 -0.0150 -0.0275 0.0131 889 TYR A CE2 1869 C CZ . TYR A 268 ? 0.4559 0.4019 0.3950 -0.0134 -0.0340 0.0122 889 TYR A CZ 1870 O OH . TYR A 268 ? 0.4420 0.3958 0.3872 -0.0161 -0.0342 0.0095 889 TYR A OH 1871 N N . PRO A 269 ? 0.4785 0.3202 0.3646 -0.0201 -0.0608 0.0344 890 PRO A N 1872 C CA . PRO A 269 ? 0.5092 0.3235 0.3789 -0.0329 -0.0685 0.0427 890 PRO A CA 1873 C C . PRO A 269 ? 0.5541 0.3533 0.4065 -0.0399 -0.0736 0.0541 890 PRO A C 1874 O O . PRO A 269 ? 0.5575 0.3464 0.4019 -0.0278 -0.0800 0.0531 890 PRO A O 1875 C CB . PRO A 269 ? 0.5655 0.3480 0.4232 -0.0211 -0.0790 0.0355 890 PRO A CB 1876 C CG . PRO A 269 ? 0.5580 0.3535 0.4251 0.0004 -0.0769 0.0271 890 PRO A CG 1877 C CD . PRO A 269 ? 0.4953 0.3316 0.3846 -0.0026 -0.0644 0.0250 890 PRO A CD 1878 N N . GLY A 270 ? 0.6068 0.4090 0.4549 -0.0596 -0.0703 0.0658 891 GLY A N 1879 C CA . GLY A 270 ? 0.5689 0.3592 0.3976 -0.0705 -0.0723 0.0796 891 GLY A CA 1880 C C . GLY A 270 ? 0.5706 0.3868 0.3994 -0.0675 -0.0608 0.0809 891 GLY A C 1881 O O . GLY A 270 ? 0.6077 0.4133 0.4155 -0.0751 -0.0616 0.0921 891 GLY A O 1882 N N . ILE A 271 ? 0.5272 0.3718 0.3740 -0.0570 -0.0513 0.0699 892 ILE A N 1883 C CA . ILE A 271 ? 0.5514 0.4139 0.3930 -0.0531 -0.0422 0.0689 892 ILE A CA 1884 C C . ILE A 271 ? 0.5231 0.4152 0.3762 -0.0602 -0.0261 0.0716 892 ILE A C 1885 O O . ILE A 271 ? 0.4997 0.4076 0.3741 -0.0576 -0.0225 0.0648 892 ILE A O 1886 C CB . ILE A 271 ? 0.5251 0.3952 0.3764 -0.0381 -0.0448 0.0559 892 ILE A CB 1887 C CG1 . ILE A 271 ? 0.6029 0.4520 0.4481 -0.0289 -0.0607 0.0549 892 ILE A CG1 1888 C CG2 . ILE A 271 ? 0.5300 0.4119 0.3707 -0.0359 -0.0371 0.0538 892 ILE A CG2 1889 C CD1 . ILE A 271 ? 0.5800 0.4423 0.4398 -0.0168 -0.0652 0.0454 892 ILE A CD1 1890 N N . PRO A 272 ? 0.5418 0.4430 0.3805 -0.0679 -0.0161 0.0821 893 PRO A N 1891 C CA . PRO A 272 ? 0.5263 0.4629 0.3793 -0.0706 0.0011 0.0850 893 PRO A CA 1892 C C . PRO A 272 ? 0.5208 0.4720 0.3770 -0.0539 0.0097 0.0717 893 PRO A C 1893 O O . PRO A 272 ? 0.5188 0.4528 0.3614 -0.0440 0.0031 0.0623 893 PRO A O 1894 C CB . PRO A 272 ? 0.5780 0.5202 0.4109 -0.0819 0.0105 0.1009 893 PRO A CB 1895 C CG . PRO A 272 ? 0.5972 0.5043 0.3977 -0.0796 -0.0005 0.1019 893 PRO A CG 1896 C CD . PRO A 272 ? 0.5939 0.4753 0.4018 -0.0728 -0.0193 0.0923 893 PRO A CD 1897 N N . VAL A 273 ? 0.4985 0.4800 0.3733 -0.0514 0.0222 0.0715 894 VAL A N 1898 C CA . VAL A 273 ? 0.4710 0.4625 0.3442 -0.0347 0.0310 0.0602 894 VAL A CA 1899 C C . VAL A 273 ? 0.4553 0.4565 0.3048 -0.0296 0.0462 0.0649 894 VAL A C 1900 O O . VAL A 273 ? 0.4850 0.5173 0.3443 -0.0338 0.0604 0.0759 894 VAL A O 1901 C CB . VAL A 273 ? 0.5019 0.5187 0.4050 -0.0305 0.0354 0.0571 894 VAL A CB 1902 C CG1 . VAL A 273 ? 0.5572 0.5754 0.4524 -0.0115 0.0425 0.0454 894 VAL A CG1 1903 C CG2 . VAL A 273 ? 0.4761 0.4797 0.3955 -0.0356 0.0209 0.0525 894 VAL A CG2 1904 N N . ASP A 274 ? 0.5135 0.4888 0.3305 -0.0214 0.0427 0.0577 895 ASP A N 1905 C CA . ASP A 274 ? 0.5206 0.4957 0.3032 -0.0139 0.0560 0.0597 895 ASP A CA 1906 C C . ASP A 274 ? 0.5456 0.4880 0.2970 -0.0013 0.0471 0.0449 895 ASP A C 1907 O O . ASP A 274 ? 0.5650 0.4939 0.3286 -0.0004 0.0332 0.0358 895 ASP A O 1908 C CB . ASP A 274 ? 0.5798 0.5506 0.3443 -0.0289 0.0570 0.0758 895 ASP A CB 1909 C CG . ASP A 274 ? 0.6181 0.5525 0.3712 -0.0376 0.0345 0.0764 895 ASP A CG 1910 O OD1 . ASP A 274 ? 0.5672 0.4819 0.3193 -0.0303 0.0203 0.0639 895 ASP A OD1 1911 O OD2 . ASP A 274 ? 0.6272 0.5541 0.3728 -0.0519 0.0307 0.0906 895 ASP A OD2 1912 N N . ALA A 275 ? 0.5678 0.4972 0.2777 0.0072 0.0546 0.0431 896 ALA A N 1913 C CA . ALA A 275 ? 0.6210 0.5134 0.2962 0.0165 0.0423 0.0292 896 ALA A CA 1914 C C . ALA A 275 ? 0.6739 0.5406 0.3494 0.0050 0.0167 0.0284 896 ALA A C 1915 O O . ALA A 275 ? 0.6492 0.4957 0.3195 0.0076 0.0022 0.0176 896 ALA A O 1916 C CB . ALA A 275 ? 0.6425 0.5212 0.2660 0.0273 0.0539 0.0279 896 ALA A CB 1917 N N . ASN A 276 ? 0.6458 0.5148 0.3293 -0.0076 0.0106 0.0406 897 ASN A N 1918 C CA . ASN A 276 ? 0.6385 0.4908 0.3305 -0.0146 -0.0126 0.0406 897 ASN A CA 1919 C C . ASN A 276 ? 0.5839 0.4472 0.3173 -0.0153 -0.0204 0.0343 897 ASN A C 1920 O O . ASN A 276 ? 0.5550 0.4081 0.2932 -0.0162 -0.0374 0.0296 897 ASN A O 1921 C CB . ASN A 276 ? 0.6103 0.4571 0.2988 -0.0248 -0.0184 0.0548 897 ASN A CB 1922 C CG . ASN A 276 ? 0.6248 0.4524 0.2649 -0.0258 -0.0169 0.0618 897 ASN A CG 1923 O OD1 . ASN A 276 ? 0.7117 0.5222 0.3174 -0.0185 -0.0193 0.0539 897 ASN A OD1 1924 N ND2 . ASN A 276 ? 0.6429 0.4690 0.2756 -0.0358 -0.0141 0.0771 897 ASN A ND2 1925 N N . PHE A 277 ? 0.5301 0.4161 0.2927 -0.0155 -0.0083 0.0352 898 PHE A N 1926 C CA . PHE A 277 ? 0.5119 0.4071 0.3075 -0.0154 -0.0134 0.0294 898 PHE A CA 1927 C C . PHE A 277 ? 0.5625 0.4484 0.3526 -0.0094 -0.0182 0.0177 898 PHE A C 1928 O O . PHE A 277 ? 0.5192 0.4036 0.3254 -0.0124 -0.0303 0.0142 898 PHE A O 1929 C CB . PHE A 277 ? 0.5275 0.4461 0.3499 -0.0168 -0.0012 0.0327 898 PHE A CB 1930 C CG . PHE A 277 ? 0.4757 0.3999 0.3264 -0.0170 -0.0072 0.0273 898 PHE A CG 1931 C CD1 . PHE A 277 ? 0.5140 0.4346 0.3790 -0.0216 -0.0173 0.0297 898 PHE A CD1 1932 C CD2 . PHE A 277 ? 0.4989 0.4276 0.3566 -0.0107 -0.0036 0.0192 898 PHE A CD2 1933 C CE1 . PHE A 277 ? 0.4841 0.4103 0.3709 -0.0203 -0.0210 0.0244 898 PHE A CE1 1934 C CE2 . PHE A 277 ? 0.4573 0.3895 0.3365 -0.0120 -0.0090 0.0154 898 PHE A CE2 1935 C CZ . PHE A 277 ? 0.4966 0.4295 0.3903 -0.0168 -0.0165 0.0180 898 PHE A CZ 1936 N N . TYR A 278 ? 0.5615 0.4415 0.3283 -0.0007 -0.0083 0.0126 899 TYR A N 1937 C CA . TYR A 278 ? 0.6024 0.4620 0.3519 0.0051 -0.0145 0.0015 899 TYR A CA 1938 C C . TYR A 278 ? 0.6362 0.4718 0.3668 -0.0020 -0.0351 -0.0009 899 TYR A C 1939 O O . TYR A 278 ? 0.5874 0.4161 0.3278 -0.0073 -0.0479 -0.0054 899 TYR A O 1940 C CB . TYR A 278 ? 0.6702 0.5221 0.3888 0.0201 0.0003 -0.0040 899 TYR A CB 1941 C CG . TYR A 278 ? 0.7783 0.6552 0.5218 0.0296 0.0160 -0.0042 899 TYR A CG 1942 C CD1 . TYR A 278 ? 0.7358 0.6481 0.5055 0.0275 0.0301 0.0063 899 TYR A CD1 1943 C CD2 . TYR A 278 ? 0.8478 0.7109 0.5870 0.0398 0.0145 -0.0138 899 TYR A CD2 1944 C CE1 . TYR A 278 ? 0.7573 0.6959 0.5521 0.0354 0.0415 0.0072 899 TYR A CE1 1945 C CE2 . TYR A 278 ? 0.9029 0.7884 0.6641 0.0503 0.0265 -0.0134 899 TYR A CE2 1946 C CZ . TYR A 278 ? 0.8743 0.8005 0.6654 0.0483 0.0398 -0.0029 899 TYR A CZ 1947 O OH . TYR A 278 ? 0.8370 0.7890 0.6524 0.0581 0.0491 -0.0015 899 TYR A OH 1948 N N . LYS A 279 ? 0.6016 0.4272 0.3076 -0.0038 -0.0394 0.0039 900 LYS A N 1949 C CA . LYS A 279 ? 0.6627 0.4698 0.3544 -0.0110 -0.0617 0.0036 900 LYS A CA 1950 C C . LYS A 279 ? 0.5809 0.4073 0.3145 -0.0194 -0.0749 0.0084 900 LYS A C 1951 O O . LYS A 279 ? 0.6499 0.4711 0.3874 -0.0258 -0.0923 0.0059 900 LYS A O 1952 C CB . LYS A 279 ? 0.7211 0.5122 0.3754 -0.0107 -0.0649 0.0092 900 LYS A CB 1953 C CG . LYS A 279 ? 0.8556 0.6236 0.4583 -0.0010 -0.0539 0.0035 900 LYS A CG 1954 C CD . LYS A 279 ? 0.9260 0.6637 0.4791 -0.0027 -0.0676 0.0048 900 LYS A CD 1955 C CE . LYS A 279 ? 0.8741 0.6205 0.4297 -0.0085 -0.0687 0.0189 900 LYS A CE 1956 N NZ . LYS A 279 ? 0.9020 0.6194 0.3970 -0.0059 -0.0702 0.0211 900 LYS A NZ 1957 N N . LEU A 280 ? 0.5494 0.3973 0.3122 -0.0191 -0.0669 0.0152 901 LEU A N 1958 C CA . LEU A 280 ? 0.5853 0.4514 0.3852 -0.0219 -0.0765 0.0186 901 LEU A CA 1959 C C . LEU A 280 ? 0.5388 0.4165 0.3626 -0.0251 -0.0787 0.0130 901 LEU A C 1960 O O . LEU A 280 ? 0.5342 0.4208 0.3740 -0.0299 -0.0928 0.0140 901 LEU A O 1961 C CB . LEU A 280 ? 0.6320 0.5115 0.4536 -0.0195 -0.0665 0.0242 901 LEU A CB 1962 C CG . LEU A 280 ? 0.8106 0.6807 0.6162 -0.0199 -0.0630 0.0330 901 LEU A CG 1963 C CD1 . LEU A 280 ? 0.8917 0.7677 0.7207 -0.0188 -0.0641 0.0374 901 LEU A CD1 1964 C CD2 . LEU A 280 ? 1.0390 0.8903 0.8155 -0.0204 -0.0768 0.0371 901 LEU A CD2 1965 N N . ILE A 281 ? 0.5240 0.4027 0.3495 -0.0229 -0.0650 0.0086 902 ILE A N 1966 C CA . ILE A 281 ? 0.5520 0.4379 0.3962 -0.0267 -0.0656 0.0047 902 ILE A CA 1967 C C . ILE A 281 ? 0.5110 0.3784 0.3373 -0.0341 -0.0804 0.0010 902 ILE A C 1968 O O . ILE A 281 ? 0.5007 0.3799 0.3480 -0.0434 -0.0901 0.0030 902 ILE A O 1969 C CB . ILE A 281 ? 0.5219 0.4087 0.3673 -0.0210 -0.0498 0.0014 902 ILE A CB 1970 C CG1 . ILE A 281 ? 0.4852 0.3912 0.3523 -0.0180 -0.0391 0.0060 902 ILE A CG1 1971 C CG2 . ILE A 281 ? 0.5742 0.4599 0.4296 -0.0255 -0.0523 -0.0019 902 ILE A CG2 1972 C CD1 . ILE A 281 ? 0.5074 0.4303 0.4034 -0.0205 -0.0430 0.0087 902 ILE A CD1 1973 N N . GLN A 282 ? 0.5613 0.3998 0.3472 -0.0308 -0.0824 -0.0038 903 GLN A N 1974 C CA . GLN A 282 ? 0.6284 0.4384 0.3865 -0.0387 -0.1004 -0.0083 903 GLN A CA 1975 C C . GLN A 282 ? 0.6367 0.4571 0.4090 -0.0513 -0.1220 -0.0024 903 GLN A C 1976 O O . GLN A 282 ? 0.6532 0.4643 0.4239 -0.0645 -0.1390 -0.0028 903 GLN A O 1977 C CB . GLN A 282 ? 0.7470 0.5220 0.4521 -0.0293 -0.0982 -0.0148 903 GLN A CB 1978 C CG . GLN A 282 ? 0.9048 0.6375 0.5684 -0.0352 -0.1171 -0.0223 903 GLN A CG 1979 C CD . GLN A 282 ? 1.2748 0.9716 0.8909 -0.0190 -0.1057 -0.0332 903 GLN A CD 1980 O OE1 . GLN A 282 ? 1.2191 0.9010 0.7975 -0.0074 -0.0984 -0.0361 903 GLN A OE1 1981 N NE2 . GLN A 282 ? 1.0993 0.7831 0.7162 -0.0162 -0.1029 -0.0386 903 GLN A NE2 1982 N N . ASN A 283 ? 0.5840 0.4222 0.3688 -0.0473 -0.1229 0.0039 904 ASN A N 1983 C CA . ASN A 283 ? 0.6586 0.5105 0.4589 -0.0552 -0.1442 0.0103 904 ASN A CA 1984 C C . ASN A 283 ? 0.5891 0.4842 0.4440 -0.0587 -0.1449 0.0166 904 ASN A C 1985 O O . ASN A 283 ? 0.6261 0.5413 0.5014 -0.0636 -0.1617 0.0228 904 ASN A O 1986 C CB . ASN A 283 ? 0.6523 0.4974 0.4345 -0.0473 -0.1476 0.0147 904 ASN A CB 1987 C CG . ASN A 283 ? 0.7825 0.5865 0.5069 -0.0469 -0.1536 0.0101 904 ASN A CG 1988 O OD1 . ASN A 283 ? 0.8538 0.6356 0.5549 -0.0557 -0.1706 0.0058 904 ASN A OD1 1989 N ND2 . ASN A 283 ? 0.8583 0.6507 0.5565 -0.0375 -0.1406 0.0118 904 ASN A ND2 1990 N N . GLY A 284 ? 0.5483 0.4592 0.4256 -0.0549 -0.1268 0.0154 905 GLY A N 1991 C CA . GLY A 284 ? 0.4985 0.4490 0.4217 -0.0564 -0.1238 0.0205 905 GLY A CA 1992 C C . GLY A 284 ? 0.4832 0.4536 0.4273 -0.0415 -0.1134 0.0230 905 GLY A C 1993 O O . GLY A 284 ? 0.5372 0.5409 0.5160 -0.0382 -0.1130 0.0271 905 GLY A O 1994 N N . PHE A 285 ? 0.5225 0.4720 0.4443 -0.0324 -0.1048 0.0209 906 PHE A N 1995 C CA . PHE A 285 ? 0.5380 0.4950 0.4718 -0.0201 -0.0966 0.0229 906 PHE A CA 1996 C C . PHE A 285 ? 0.4874 0.4613 0.4437 -0.0176 -0.0822 0.0204 906 PHE A C 1997 O O . PHE A 285 ? 0.5374 0.5040 0.4865 -0.0230 -0.0731 0.0168 906 PHE A O 1998 C CB . PHE A 285 ? 0.5749 0.5048 0.4783 -0.0168 -0.0901 0.0232 906 PHE A CB 1999 C CG . PHE A 285 ? 0.5554 0.4826 0.4631 -0.0076 -0.0881 0.0270 906 PHE A CG 2000 C CD1 . PHE A 285 ? 0.5804 0.5111 0.4996 -0.0040 -0.0760 0.0250 906 PHE A CD1 2001 C CD2 . PHE A 285 ? 0.5714 0.4861 0.4664 -0.0030 -0.1003 0.0326 906 PHE A CD2 2002 C CE1 . PHE A 285 ? 0.6434 0.5623 0.5598 0.0033 -0.0769 0.0279 906 PHE A CE1 2003 C CE2 . PHE A 285 ? 0.5756 0.4787 0.4688 0.0053 -0.1007 0.0363 906 PHE A CE2 2004 C CZ . PHE A 285 ? 0.6094 0.5128 0.5121 0.0079 -0.0892 0.0336 906 PHE A CZ 2005 N N . LYS A 286 ? 0.4877 0.4830 0.4685 -0.0079 -0.0814 0.0223 907 LYS A N 2006 C CA . LYS A 286 ? 0.4947 0.5032 0.4911 -0.0023 -0.0681 0.0197 907 LYS A CA 2007 C C . LYS A 286 ? 0.4829 0.4820 0.4766 0.0131 -0.0662 0.0190 907 LYS A C 2008 O O . LYS A 286 ? 0.5048 0.5022 0.4991 0.0222 -0.0765 0.0220 907 LYS A O 2009 C CB . LYS A 286 ? 0.5203 0.5658 0.5473 -0.0037 -0.0683 0.0225 907 LYS A CB 2010 C CG . LYS A 286 ? 0.5058 0.5566 0.5345 -0.0220 -0.0706 0.0242 907 LYS A CG 2011 C CD . LYS A 286 ? 0.5740 0.6680 0.6372 -0.0263 -0.0738 0.0309 907 LYS A CD 2012 C CE . LYS A 286 ? 0.7178 0.8143 0.7821 -0.0490 -0.0820 0.0352 907 LYS A CE 2013 N NZ . LYS A 286 ? 0.7889 0.9286 0.8861 -0.0567 -0.0757 0.0428 907 LYS A NZ 2014 N N . MET A 287 ? 0.4556 0.4449 0.4438 0.0158 -0.0553 0.0152 908 MET A N 2015 C CA . MET A 287 ? 0.4519 0.4262 0.4336 0.0298 -0.0547 0.0132 908 MET A CA 2016 C C . MET A 287 ? 0.4900 0.4862 0.4908 0.0477 -0.0557 0.0123 908 MET A C 2017 O O . MET A 287 ? 0.4620 0.4936 0.4868 0.0473 -0.0518 0.0136 908 MET A O 2018 C CB . MET A 287 ? 0.4262 0.3872 0.3982 0.0274 -0.0449 0.0089 908 MET A CB 2019 C CG . MET A 287 ? 0.4378 0.3782 0.3927 0.0145 -0.0444 0.0109 908 MET A CG 2020 S SD . MET A 287 ? 0.4901 0.4159 0.4361 0.0114 -0.0382 0.0076 908 MET A SD 2021 C CE . MET A 287 ? 0.4601 0.4086 0.4182 0.0050 -0.0287 0.0051 908 MET A CE 2022 N N . ASP A 288 ? 0.4769 0.4510 0.4655 0.0636 -0.0607 0.0108 909 ASP A N 2023 C CA . ASP A 288 ? 0.5149 0.5038 0.5162 0.0876 -0.0604 0.0082 909 ASP A CA 2024 C C . ASP A 288 ? 0.4895 0.4812 0.4883 0.0958 -0.0461 0.0009 909 ASP A C 2025 O O . ASP A 288 ? 0.5044 0.4792 0.4886 0.0827 -0.0400 -0.0017 909 ASP A O 2026 C CB . ASP A 288 ? 0.5984 0.5497 0.5783 0.1035 -0.0730 0.0082 909 ASP A CB 2027 C CG . ASP A 288 ? 0.8365 0.7807 0.8129 0.0971 -0.0885 0.0163 909 ASP A CG 2028 O OD1 . ASP A 288 ? 0.6742 0.6547 0.6751 0.0943 -0.0926 0.0206 909 ASP A OD1 2029 O OD2 . ASP A 288 ? 0.8338 0.7354 0.7809 0.0924 -0.0973 0.0194 909 ASP A OD2 2030 N N . GLN A 289 ? 0.5115 0.5248 0.5234 0.1196 -0.0413 -0.0020 910 GLN A N 2031 C CA . GLN A 289 ? 0.5530 0.5670 0.5566 0.1334 -0.0273 -0.0097 910 GLN A CA 2032 C C . GLN A 289 ? 0.5672 0.5208 0.5294 0.1391 -0.0328 -0.0172 910 GLN A C 2033 O O . GLN A 289 ? 0.5984 0.5212 0.5447 0.1541 -0.0444 -0.0187 910 GLN A O 2034 C CB . GLN A 289 ? 0.5720 0.6238 0.5975 0.1627 -0.0206 -0.0110 910 GLN A CB 2035 C CG . GLN A 289 ? 0.5841 0.6397 0.5977 0.1810 -0.0033 -0.0194 910 GLN A CG 2036 C CD . GLN A 289 ? 0.5934 0.6981 0.6335 0.2117 0.0073 -0.0195 910 GLN A CD 2037 O OE1 . GLN A 289 ? 0.6400 0.7938 0.7199 0.2124 0.0040 -0.0105 910 GLN A OE1 2038 N NE2 . GLN A 289 ? 0.6406 0.7338 0.6581 0.2378 0.0202 -0.0295 910 GLN A NE2 2039 N N . PRO A 290 ? 0.5374 0.4726 0.4810 0.1264 -0.0266 -0.0212 911 PRO A N 2040 C CA . PRO A 290 ? 0.5873 0.4657 0.4917 0.1291 -0.0344 -0.0277 911 PRO A CA 2041 C C . PRO A 290 ? 0.6245 0.4863 0.5084 0.1600 -0.0302 -0.0382 911 PRO A C 2042 O O . PRO A 290 ? 0.6006 0.5036 0.5034 0.1780 -0.0161 -0.0403 911 PRO A O 2043 C CB . PRO A 290 ? 0.6052 0.4794 0.5025 0.1061 -0.0298 -0.0276 911 PRO A CB 2044 C CG . PRO A 290 ? 0.5932 0.5173 0.5171 0.1034 -0.0146 -0.0255 911 PRO A CG 2045 C CD . PRO A 290 ? 0.5681 0.5316 0.5239 0.1099 -0.0140 -0.0196 911 PRO A CD 2046 N N . PHE A 291 ? 0.6998 0.5010 0.5436 0.1658 -0.0425 -0.0444 912 PHE A N 2047 C CA . PHE A 291 ? 0.7690 0.5392 0.5838 0.2000 -0.0431 -0.0557 912 PHE A CA 2048 C C . PHE A 291 ? 0.7887 0.5769 0.5953 0.2167 -0.0244 -0.0653 912 PHE A C 2049 O O . PHE A 291 ? 0.7946 0.5979 0.6014 0.2504 -0.0146 -0.0718 912 PHE A O 2050 C CB . PHE A 291 ? 0.8743 0.5648 0.6404 0.1973 -0.0637 -0.0600 912 PHE A CB 2051 C CG . PHE A 291 ? 0.9530 0.5991 0.6803 0.2344 -0.0670 -0.0733 912 PHE A CG 2052 C CD1 . PHE A 291 ? 0.9914 0.6316 0.7207 0.2642 -0.0732 -0.0740 912 PHE A CD1 2053 C CD2 . PHE A 291 ? 1.0013 0.6115 0.6877 0.2430 -0.0640 -0.0860 912 PHE A CD2 2054 C CE1 . PHE A 291 ? 1.0694 0.6659 0.7599 0.3041 -0.0758 -0.0878 912 PHE A CE1 2055 C CE2 . PHE A 291 ? 1.0803 0.6445 0.7241 0.2815 -0.0664 -0.1005 912 PHE A CE2 2056 C CZ . PHE A 291 ? 1.1083 0.6657 0.7544 0.3134 -0.0716 -0.1017 912 PHE A CZ 2057 N N . TYR A 292 ? 0.7524 0.5401 0.5508 0.1947 -0.0193 -0.0655 913 TYR A N 2058 C CA . TYR A 292 ? 0.7619 0.5596 0.5440 0.2075 -0.0025 -0.0737 913 TYR A CA 2059 C C . TYR A 292 ? 0.7046 0.5775 0.5288 0.2061 0.0196 -0.0665 913 TYR A C 2060 O O . TYR A 292 ? 0.7024 0.5911 0.5150 0.2175 0.0365 -0.0712 913 TYR A O 2061 C CB . TYR A 292 ? 0.7817 0.5357 0.5276 0.1870 -0.0107 -0.0775 913 TYR A CB 2062 C CG . TYR A 292 ? 0.8231 0.5020 0.5254 0.1865 -0.0338 -0.0837 913 TYR A CG 2063 C CD1 . TYR A 292 ? 0.8887 0.5147 0.5402 0.2144 -0.0376 -0.0982 913 TYR A CD1 2064 C CD2 . TYR A 292 ? 0.8695 0.5284 0.5789 0.1584 -0.0522 -0.0743 913 TYR A CD2 2065 C CE1 . TYR A 292 ? 0.9957 0.5454 0.6031 0.2114 -0.0621 -0.1031 913 TYR A CE1 2066 C CE2 . TYR A 292 ? 0.9181 0.5085 0.5882 0.1536 -0.0746 -0.0771 913 TYR A CE2 2067 C CZ . TYR A 292 ? 0.9785 0.5117 0.5971 0.1786 -0.0811 -0.0914 913 TYR A CZ 2068 O OH . TYR A 292 ? 1.1247 0.5834 0.7010 0.1709 -0.1065 -0.0933 913 TYR A OH 2069 N N . ALA A 293 ? 0.6858 0.6023 0.5549 0.1913 0.0187 -0.0548 914 ALA A N 2070 C CA . ALA A 293 ? 0.6955 0.6814 0.6059 0.1871 0.0357 -0.0462 914 ALA A CA 2071 C C . ALA A 293 ? 0.7187 0.7446 0.6497 0.2198 0.0468 -0.0473 914 ALA A C 2072 O O . ALA A 293 ? 0.7239 0.7345 0.6546 0.2396 0.0360 -0.0500 914 ALA A O 2073 C CB . ALA A 293 ? 0.6052 0.6162 0.5505 0.1585 0.0277 -0.0341 914 ALA A CB 2074 N N . THR A 294 ? 0.7007 0.7799 0.6502 0.2252 0.0682 -0.0437 915 THR A N 2075 C CA . THR A 294 ? 0.6822 0.8266 0.6717 0.2480 0.0810 -0.0385 915 THR A CA 2076 C C . THR A 294 ? 0.6096 0.8027 0.6511 0.2231 0.0731 -0.0232 915 THR A C 2077 O O . THR A 294 ? 0.5804 0.7608 0.6236 0.1892 0.0639 -0.0174 915 THR A O 2078 C CB . THR A 294 ? 0.7146 0.9062 0.7079 0.2574 0.1088 -0.0368 915 THR A CB 2079 O OG1 . THR A 294 ? 0.6679 0.8753 0.6693 0.2201 0.1132 -0.0266 915 THR A OG1 2080 C CG2 . THR A 294 ? 0.7625 0.9053 0.6983 0.2863 0.1177 -0.0533 915 THR A CG2 2081 N N . GLU A 295 ? 0.6046 0.8556 0.6879 0.2410 0.0771 -0.0168 916 GLU A N 2082 C CA . GLU A 295 ? 0.5996 0.9039 0.7343 0.2179 0.0689 -0.0014 916 GLU A CA 2083 C C . GLU A 295 ? 0.5634 0.9012 0.7151 0.1816 0.0784 0.0101 916 GLU A C 2084 O O . GLU A 295 ? 0.5023 0.8399 0.6685 0.1505 0.0642 0.0184 916 GLU A O 2085 C CB . GLU A 295 ? 0.6496 1.0194 0.8296 0.2457 0.0728 0.0045 916 GLU A CB 2086 C CG . GLU A 295 ? 0.7400 1.1482 0.9659 0.2261 0.0544 0.0182 916 GLU A CG 2087 N N . GLU A 296 ? 0.5885 0.9460 0.7307 0.1862 0.1013 0.0098 917 GLU A N 2088 C CA . GLU A 296 ? 0.5989 0.9853 0.7522 0.1534 0.1114 0.0219 917 GLU A CA 2089 C C . GLU A 296 ? 0.5415 0.8664 0.6600 0.1249 0.0993 0.0188 917 GLU A C 2090 O O . GLU A 296 ? 0.5489 0.8827 0.6816 0.0926 0.0925 0.0293 917 GLU A O 2091 C CB . GLU A 296 ? 0.7036 1.1224 0.8482 0.1675 0.1403 0.0228 917 GLU A CB 2092 C CG . GLU A 296 ? 0.8164 1.3096 0.9992 0.1980 0.1585 0.0276 917 GLU A CG 2093 C CD . GLU A 296 ? 0.9807 1.4465 1.1313 0.2470 0.1667 0.0098 917 GLU A CD 2094 O OE1 . GLU A 296 ? 0.9250 1.3433 1.0614 0.2624 0.1468 -0.0009 917 GLU A OE1 2095 O OE2 . GLU A 296 ? 1.0922 1.5806 1.2278 0.2701 0.1927 0.0065 917 GLU A OE2 2096 N N . ILE A 297 ? 0.5449 0.8073 0.6177 0.1373 0.0954 0.0046 918 ILE A N 2097 C CA . ILE A 297 ? 0.5484 0.7550 0.5920 0.1138 0.0819 0.0013 918 ILE A CA 2098 C C . ILE A 297 ? 0.5074 0.7034 0.5683 0.0968 0.0610 0.0053 918 ILE A C 2099 O O . ILE A 297 ? 0.4852 0.6671 0.5436 0.0703 0.0534 0.0100 918 ILE A O 2100 C CB . ILE A 297 ? 0.6026 0.7486 0.5971 0.1298 0.0795 -0.0133 918 ILE A CB 2101 C CG1 . ILE A 297 ? 0.6981 0.8496 0.6676 0.1400 0.0995 -0.0164 918 ILE A CG1 2102 C CG2 . ILE A 297 ? 0.6088 0.7051 0.5817 0.1071 0.0635 -0.0152 918 ILE A CG2 2103 C CD1 . ILE A 297 ? 0.8095 0.9096 0.7312 0.1653 0.0990 -0.0322 918 ILE A CD1 2104 N N . TYR A 298 ? 0.5068 0.7086 0.5826 0.1134 0.0518 0.0036 919 TYR A N 2105 C CA . TYR A 298 ? 0.5170 0.7078 0.6044 0.0992 0.0323 0.0075 919 TYR A CA 2106 C C . TYR A 298 ? 0.4472 0.6796 0.5686 0.0743 0.0284 0.0203 919 TYR A C 2107 O O . TYR A 298 ? 0.4408 0.6507 0.5562 0.0530 0.0154 0.0226 919 TYR A O 2108 C CB . TYR A 298 ? 0.5715 0.7557 0.6631 0.1235 0.0217 0.0038 919 TYR A CB 2109 C CG . TYR A 298 ? 0.5116 0.6777 0.6062 0.1090 0.0016 0.0078 919 TYR A CG 2110 C CD1 . TYR A 298 ? 0.5129 0.6334 0.5807 0.0898 -0.0062 0.0055 919 TYR A CD1 2111 C CD2 . TYR A 298 ? 0.5319 0.7296 0.6563 0.1141 -0.0094 0.0146 919 TYR A CD2 2112 C CE1 . TYR A 298 ? 0.5218 0.6261 0.5877 0.0775 -0.0218 0.0090 919 TYR A CE1 2113 C CE2 . TYR A 298 ? 0.5538 0.7304 0.6738 0.1005 -0.0282 0.0180 919 TYR A CE2 2114 C CZ . TYR A 298 ? 0.5206 0.6496 0.6092 0.0826 -0.0330 0.0149 919 TYR A CZ 2115 O OH . TYR A 298 ? 0.5278 0.6358 0.6072 0.0701 -0.0485 0.0181 919 TYR A OH 2116 N N . ILE A 299 ? 0.4442 0.7358 0.5990 0.0767 0.0393 0.0290 920 ILE A N 2117 C CA . ILE A 299 ? 0.4942 0.8250 0.6801 0.0482 0.0346 0.0431 920 ILE A CA 2118 C C . ILE A 299 ? 0.4752 0.7771 0.6381 0.0200 0.0358 0.0453 920 ILE A C 2119 O O . ILE A 299 ? 0.4948 0.7886 0.6614 -0.0051 0.0218 0.0513 920 ILE A O 2120 C CB . ILE A 299 ? 0.5107 0.9182 0.7403 0.0547 0.0484 0.0544 920 ILE A CB 2121 C CG1 . ILE A 299 ? 0.4766 0.9150 0.7354 0.0805 0.0406 0.0542 920 ILE A CG1 2122 C CG2 . ILE A 299 ? 0.5082 0.9539 0.7661 0.0188 0.0445 0.0711 920 ILE A CG2 2123 C CD1 . ILE A 299 ? 0.5419 1.0554 0.8398 0.1020 0.0592 0.0613 920 ILE A CD1 2124 N N . ILE A 300 ? 0.4424 0.7244 0.5779 0.0258 0.0504 0.0399 921 ILE A N 2125 C CA . ILE A 300 ? 0.4846 0.7338 0.5944 0.0036 0.0501 0.0412 921 ILE A CA 2126 C C . ILE A 300 ? 0.5397 0.7353 0.6265 -0.0038 0.0330 0.0340 921 ILE A C 2127 O O . ILE A 300 ? 0.4910 0.6713 0.5728 -0.0258 0.0240 0.0386 921 ILE A O 2128 C CB . ILE A 300 ? 0.5349 0.7720 0.6168 0.0138 0.0675 0.0366 921 ILE A CB 2129 C CG1 . ILE A 300 ? 0.5819 0.8761 0.6841 0.0171 0.0878 0.0464 921 ILE A CG1 2130 C CG2 . ILE A 300 ? 0.5282 0.7247 0.5808 -0.0056 0.0633 0.0371 921 ILE A CG2 2131 N N . MET A 301 ? 0.4813 0.6483 0.5526 0.0147 0.0290 0.0235 922 MET A N 2132 C CA . MET A 301 ? 0.5182 0.6429 0.5714 0.0093 0.0150 0.0183 922 MET A CA 2133 C C . MET A 301 ? 0.4484 0.5787 0.5156 -0.0053 0.0011 0.0238 922 MET A C 2134 O O . MET A 301 ? 0.4432 0.5474 0.4958 -0.0195 -0.0063 0.0237 922 MET A O 2135 C CB . MET A 301 ? 0.5341 0.6359 0.5753 0.0290 0.0109 0.0100 922 MET A CB 2136 C CG . MET A 301 ? 0.6127 0.6842 0.6263 0.0391 0.0163 0.0020 922 MET A CG 2137 S SD . MET A 301 ? 0.5675 0.6077 0.5669 0.0573 0.0063 -0.0051 922 MET A SD 2138 C CE . MET A 301 ? 0.5543 0.5779 0.5278 0.0753 0.0167 -0.0139 922 MET A CE 2139 N N . GLN A 302 ? 0.4076 0.5702 0.5007 0.0006 -0.0033 0.0281 923 GLN A N 2140 C CA . GLN A 302 ? 0.4614 0.6304 0.5669 -0.0130 -0.0196 0.0336 923 GLN A CA 2141 C C . GLN A 302 ? 0.4657 0.6386 0.5738 -0.0395 -0.0243 0.0411 923 GLN A C 2142 O O . GLN A 302 ? 0.4571 0.6045 0.5519 -0.0527 -0.0387 0.0408 923 GLN A O 2143 C CB . GLN A 302 ? 0.5091 0.7215 0.6477 -0.0019 -0.0241 0.0389 923 GLN A CB 2144 C CG . GLN A 302 ? 0.6155 0.8112 0.7459 0.0224 -0.0283 0.0322 923 GLN A CG 2145 C CD . GLN A 302 ? 0.6754 0.9142 0.8395 0.0354 -0.0356 0.0381 923 GLN A CD 2146 O OE1 . GLN A 302 ? 0.6664 0.9542 0.8604 0.0438 -0.0249 0.0430 923 GLN A OE1 2147 N NE2 . GLN A 302 ? 0.6276 0.8510 0.7875 0.0377 -0.0534 0.0386 923 GLN A NE2 2148 N N . SER A 303 ? 0.4040 0.6056 0.5254 -0.0470 -0.0125 0.0481 924 SER A N 2149 C CA . SER A 303 ? 0.4511 0.6527 0.5718 -0.0746 -0.0168 0.0572 924 SER A CA 2150 C C . SER A 303 ? 0.4100 0.5564 0.4926 -0.0815 -0.0198 0.0509 924 SER A C 2151 O O . SER A 303 ? 0.4532 0.5765 0.5236 -0.1002 -0.0327 0.0538 924 SER A O 2152 C CB . SER A 303 ? 0.4632 0.7086 0.6040 -0.0811 -0.0010 0.0679 924 SER A CB 2153 O OG . SER A 303 ? 0.4960 0.7233 0.6133 -0.0698 0.0153 0.0622 924 SER A OG 2154 N N . CYS A 304 ? 0.4299 0.5540 0.4928 -0.0653 -0.0097 0.0421 925 CYS A N 2155 C CA . CYS A 304 ? 0.4087 0.4862 0.4403 -0.0673 -0.0132 0.0359 925 CYS A CA 2156 C C . CYS A 304 ? 0.4635 0.5128 0.4820 -0.0670 -0.0265 0.0304 925 CYS A C 2157 O O . CYS A 304 ? 0.4277 0.4437 0.4234 -0.0714 -0.0310 0.0274 925 CYS A O 2158 C CB . CYS A 304 ? 0.4645 0.5288 0.4821 -0.0508 -0.0028 0.0285 925 CYS A CB 2159 S SG . CYS A 304 ? 0.4466 0.5309 0.4641 -0.0488 0.0136 0.0326 925 CYS A SG 2160 N N . TRP A 305 ? 0.4527 0.5150 0.4836 -0.0598 -0.0322 0.0292 926 TRP A N 2161 C CA . TRP A 305 ? 0.4310 0.4689 0.4468 -0.0588 -0.0438 0.0249 926 TRP A CA 2162 C C . TRP A 305 ? 0.4515 0.4923 0.4711 -0.0742 -0.0599 0.0298 926 TRP A C 2163 O O . TRP A 305 ? 0.4447 0.4701 0.4523 -0.0719 -0.0703 0.0269 926 TRP A O 2164 C CB . TRP A 305 ? 0.4190 0.4600 0.4378 -0.0415 -0.0421 0.0210 926 TRP A CB 2165 C CG . TRP A 305 ? 0.4047 0.4370 0.4161 -0.0291 -0.0302 0.0161 926 TRP A CG 2166 C CD1 . TRP A 305 ? 0.3829 0.3964 0.3790 -0.0305 -0.0241 0.0132 926 TRP A CD1 2167 C CD2 . TRP A 305 ? 0.3820 0.4205 0.3987 -0.0137 -0.0261 0.0138 926 TRP A CD2 2168 N NE1 . TRP A 305 ? 0.3854 0.3953 0.3783 -0.0196 -0.0173 0.0098 926 TRP A NE1 2169 C CE2 . TRP A 305 ? 0.3739 0.3952 0.3766 -0.0092 -0.0184 0.0096 926 TRP A CE2 2170 C CE3 . TRP A 305 ? 0.4143 0.4682 0.4442 -0.0023 -0.0299 0.0150 926 TRP A CE3 2171 C CZ2 . TRP A 305 ? 0.4003 0.4143 0.3980 0.0039 -0.0156 0.0059 926 TRP A CZ2 2172 C CZ3 . TRP A 305 ? 0.3946 0.4400 0.4190 0.0139 -0.0258 0.0109 926 TRP A CZ3 2173 C CH2 . TRP A 305 ? 0.4528 0.4761 0.4594 0.0157 -0.0191 0.0062 926 TRP A CH2 2174 N N . ALA A 306 ? 0.4349 0.4923 0.4675 -0.0919 -0.0633 0.0381 927 ALA A N 2175 C CA . ALA A 306 ? 0.4626 0.5140 0.4931 -0.1118 -0.0825 0.0433 927 ALA A CA 2176 C C . ALA A 306 ? 0.5470 0.5418 0.5344 -0.1131 -0.0914 0.0348 927 ALA A C 2177 O O . ALA A 306 ? 0.5128 0.4807 0.4793 -0.1085 -0.0830 0.0302 927 ALA A O 2178 C CB . ALA A 306 ? 0.5388 0.6117 0.5862 -0.1344 -0.0841 0.0551 927 ALA A CB 2179 N N . PHE A 307 ? 0.5320 0.5099 0.5050 -0.1158 -0.1075 0.0322 928 PHE A N 2180 C CA . PHE A 307 ? 0.5791 0.5036 0.5068 -0.1128 -0.1146 0.0229 928 PHE A CA 2181 C C . PHE A 307 ? 0.5881 0.4772 0.4920 -0.1283 -0.1224 0.0235 928 PHE A C 2182 O O . PHE A 307 ? 0.5861 0.4385 0.4601 -0.1181 -0.1164 0.0158 928 PHE A O 2183 C CB . PHE A 307 ? 0.5844 0.4963 0.4966 -0.1146 -0.1321 0.0209 928 PHE A CB 2184 C CG . PHE A 307 ? 0.6452 0.5085 0.5097 -0.1029 -0.1325 0.0099 928 PHE A CG 2185 C CD1 . PHE A 307 ? 0.6214 0.4865 0.4795 -0.0825 -0.1179 0.0049 928 PHE A CD1 2186 C CD2 . PHE A 307 ? 0.6851 0.4997 0.5090 -0.1115 -0.1461 0.0047 928 PHE A CD2 2187 C CE1 . PHE A 307 ? 0.6879 0.5156 0.5040 -0.0706 -0.1145 -0.0039 928 PHE A CE1 2188 C CE2 . PHE A 307 ? 0.7511 0.5223 0.5284 -0.0959 -0.1432 -0.0065 928 PHE A CE2 2189 C CZ . PHE A 307 ? 0.7115 0.4937 0.4871 -0.0751 -0.1259 -0.0103 928 PHE A CZ 2190 N N . ASP A 308 ? 0.5715 0.4741 0.4910 -0.1528 -0.1363 0.0338 929 ASP A N 2191 C CA . ASP A 308 ? 0.6164 0.4885 0.5176 -0.1734 -0.1461 0.0384 929 ASP A CA 2192 C C . ASP A 308 ? 0.6522 0.5423 0.5691 -0.1707 -0.1267 0.0433 929 ASP A C 2193 O O . ASP A 308 ? 0.5856 0.5282 0.5420 -0.1754 -0.1163 0.0530 929 ASP A O 2194 C CB . ASP A 308 ? 0.6606 0.5513 0.5804 -0.2044 -0.1675 0.0513 929 ASP A CB 2195 C CG . ASP A 308 ? 0.7718 0.6206 0.6657 -0.2318 -0.1839 0.0576 929 ASP A CG 2196 O OD1 . ASP A 308 ? 0.8283 0.6388 0.6945 -0.2268 -0.1771 0.0538 929 ASP A OD1 2197 O OD2 . ASP A 308 ? 0.8709 0.7238 0.7718 -0.2603 -0.2064 0.0675 929 ASP A OD2 2198 N N . SER A 309 ? 0.6307 0.4765 0.5142 -0.1617 -0.1225 0.0366 930 SER A N 2199 C CA . SER A 309 ? 0.6210 0.4732 0.5099 -0.1581 -0.1071 0.0404 930 SER A CA 2200 C C . SER A 309 ? 0.6345 0.5096 0.5423 -0.1845 -0.1084 0.0565 930 SER A C 2201 O O . SER A 309 ? 0.6104 0.5130 0.5348 -0.1808 -0.0918 0.0616 930 SER A O 2202 C CB . SER A 309 ? 0.6194 0.4141 0.4658 -0.1463 -0.1091 0.0319 930 SER A CB 2203 O OG . SER A 309 ? 0.7008 0.4449 0.5134 -0.1639 -0.1304 0.0332 930 SER A OG 2204 N N . ARG A 310 ? 0.6543 0.5167 0.5569 -0.2119 -0.1284 0.0648 931 ARG A N 2205 C CA . ARG A 310 ? 0.7075 0.5954 0.6300 -0.2426 -0.1312 0.0833 931 ARG A CA 2206 C C . ARG A 310 ? 0.6661 0.6353 0.6442 -0.2457 -0.1178 0.0939 931 ARG A C 2207 O O . ARG A 310 ? 0.6384 0.6410 0.6370 -0.2639 -0.1102 0.1092 931 ARG A O 2208 C CB . ARG A 310 ? 0.7960 0.6477 0.6986 -0.2744 -0.1600 0.0904 931 ARG A CB 2209 C CG . ARG A 310 ? 0.9297 0.6933 0.7711 -0.2728 -0.1759 0.0810 931 ARG A CG 2210 C CD . ARG A 310 ? 1.0422 0.7624 0.8576 -0.3016 -0.2082 0.0844 931 ARG A CD 2211 N NE . ARG A 310 ? 1.0347 0.7701 0.8592 -0.2967 -0.2186 0.0772 931 ARG A NE 2212 C CZ . ARG A 310 ? 1.1895 0.8880 0.9893 -0.3174 -0.2484 0.0769 931 ARG A CZ 2213 N NH1 . ARG A 310 ? 1.2295 0.8675 0.9910 -0.3459 -0.2728 0.0830 931 ARG A NH1 2214 N NH2 . ARG A 310 ? 1.1363 0.8535 0.9455 -0.3098 -0.2559 0.0706 931 ARG A NH2 2215 N N . LYS A 311 ? 0.6299 0.6301 0.6302 -0.2270 -0.1146 0.0864 932 LYS A N 2216 C CA . LYS A 311 ? 0.6213 0.6973 0.6730 -0.2219 -0.1009 0.0943 932 LYS A CA 2217 C C . LYS A 311 ? 0.5492 0.6464 0.6086 -0.1951 -0.0742 0.0886 932 LYS A C 2218 O O . LYS A 311 ? 0.5950 0.7500 0.6907 -0.1887 -0.0602 0.0949 932 LYS A O 2219 C CB . LYS A 311 ? 0.6797 0.7765 0.7501 -0.2140 -0.1127 0.0902 932 LYS A CB 2220 C CG . LYS A 311 ? 0.8043 0.8948 0.8760 -0.2441 -0.1410 0.0991 932 LYS A CG 2221 C CD . LYS A 311 ? 0.9453 1.0470 1.0268 -0.2336 -0.1548 0.0936 932 LYS A CD 2222 C CE . LYS A 311 ? 1.0790 1.1654 1.1541 -0.2639 -0.1872 0.1008 932 LYS A CE 2223 N NZ . LYS A 311 ? 1.1276 1.1986 1.1897 -0.2506 -0.2028 0.0911 932 LYS A NZ 2224 N N . ARG A 312 ? 0.5306 0.5821 0.5558 -0.1789 -0.0680 0.0770 933 ARG A N 2225 C CA . ARG A 312 ? 0.4869 0.5514 0.5142 -0.1556 -0.0466 0.0711 933 ARG A CA 2226 C C . ARG A 312 ? 0.5483 0.6311 0.5791 -0.1670 -0.0334 0.0827 933 ARG A C 2227 O O . ARG A 312 ? 0.5665 0.6265 0.5816 -0.1906 -0.0420 0.0921 933 ARG A O 2228 C CB . ARG A 312 ? 0.4847 0.4995 0.4779 -0.1380 -0.0464 0.0576 933 ARG A CB 2229 C CG . ARG A 312 ? 0.5095 0.5083 0.4962 -0.1252 -0.0555 0.0468 933 ARG A CG 2230 C CD . ARG A 312 ? 0.4912 0.4480 0.4475 -0.1090 -0.0539 0.0355 933 ARG A CD 2231 N NE . ARG A 312 ? 0.5018 0.4345 0.4421 -0.1046 -0.0653 0.0282 933 ARG A NE 2232 C CZ . ARG A 312 ? 0.5203 0.4119 0.4294 -0.0961 -0.0691 0.0202 933 ARG A CZ 2233 N NH1 . ARG A 312 ? 0.5231 0.3924 0.4158 -0.0898 -0.0642 0.0182 933 ARG A NH1 2234 N NH2 . ARG A 312 ? 0.5566 0.4292 0.4490 -0.0929 -0.0785 0.0144 933 ARG A NH2 2235 N N . PRO A 313 ? 0.5152 0.6343 0.5614 -0.1505 -0.0134 0.0821 934 PRO A N 2236 C CA . PRO A 313 ? 0.5121 0.6462 0.5546 -0.1587 0.0015 0.0924 934 PRO A CA 2237 C C . PRO A 313 ? 0.5402 0.6194 0.5414 -0.1578 -0.0002 0.0882 934 PRO A C 2238 O O . PRO A 313 ? 0.5316 0.5723 0.5132 -0.1428 -0.0073 0.0752 934 PRO A O 2239 C CB . PRO A 313 ? 0.5088 0.6847 0.5691 -0.1336 0.0221 0.0877 934 PRO A CB 2240 C CG . PRO A 313 ? 0.5369 0.6910 0.5918 -0.1100 0.0162 0.0714 934 PRO A CG 2241 C CD . PRO A 313 ? 0.4486 0.5881 0.5084 -0.1223 -0.0041 0.0714 934 PRO A CD 2242 N N . SER A 314 ? 0.5683 0.6456 0.5570 -0.1745 0.0054 0.1007 935 SER A N 2243 C CA . SER A 314 ? 0.5773 0.6056 0.5268 -0.1723 0.0038 0.0986 935 SER A CA 2244 C C . SER A 314 ? 0.5490 0.5872 0.4908 -0.1486 0.0209 0.0909 935 SER A C 2245 O O . SER A 314 ? 0.5535 0.6349 0.5167 -0.1364 0.0357 0.0891 935 SER A O 2246 C CB . SER A 314 ? 0.5802 0.5987 0.5152 -0.2016 0.0013 0.1169 935 SER A CB 2247 O OG . SER A 314 ? 0.6063 0.6760 0.5574 -0.2061 0.0220 0.1283 935 SER A OG 2248 N N . PHE A 315 ? 0.5580 0.5540 0.4672 -0.1416 0.0172 0.0865 936 PHE A N 2249 C CA . PHE A 315 ? 0.5907 0.5888 0.4858 -0.1230 0.0295 0.0803 936 PHE A CA 2250 C C . PHE A 315 ? 0.5710 0.5976 0.4604 -0.1299 0.0478 0.0918 936 PHE A C 2251 O O . PHE A 315 ? 0.5829 0.6327 0.4741 -0.1121 0.0624 0.0854 936 PHE A O 2252 C CB . PHE A 315 ? 0.5749 0.5249 0.4405 -0.1127 0.0182 0.0728 936 PHE A CB 2253 C CG . PHE A 315 ? 0.5313 0.4714 0.4070 -0.0956 0.0097 0.0585 936 PHE A CG 2254 C CD1 . PHE A 315 ? 0.4749 0.4356 0.3636 -0.0786 0.0171 0.0486 936 PHE A CD1 2255 C CD2 . PHE A 315 ? 0.5445 0.4534 0.4142 -0.0962 -0.0053 0.0553 936 PHE A CD2 2256 C CE1 . PHE A 315 ? 0.4446 0.3981 0.3424 -0.0664 0.0100 0.0383 936 PHE A CE1 2257 C CE2 . PHE A 315 ? 0.4966 0.4021 0.3757 -0.0808 -0.0100 0.0438 936 PHE A CE2 2258 C CZ . PHE A 315 ? 0.4737 0.4026 0.3678 -0.0678 -0.0024 0.0364 936 PHE A CZ 2259 N N . PRO A 316 ? 0.5747 0.5993 0.4555 -0.1556 0.0473 0.1090 937 PRO A N 2260 C CA . PRO A 316 ? 0.6345 0.7004 0.5171 -0.1644 0.0685 0.1228 937 PRO A CA 2261 C C . PRO A 316 ? 0.6472 0.7801 0.5731 -0.1584 0.0842 0.1239 937 PRO A C 2262 O O . PRO A 316 ? 0.6686 0.8346 0.5938 -0.1448 0.1055 0.1240 937 PRO A O 2263 C CB . PRO A 316 ? 0.6392 0.6886 0.5085 -0.1986 0.0608 0.1433 937 PRO A CB 2264 C CG . PRO A 316 ? 0.6599 0.6413 0.5009 -0.1988 0.0367 0.1367 937 PRO A CG 2265 C CD . PRO A 316 ? 0.6140 0.5922 0.4743 -0.1758 0.0282 0.1169 937 PRO A CD 2266 N N . ASN A 317 ? 0.6360 0.7861 0.5962 -0.1653 0.0731 0.1236 938 ASN A N 2267 C CA . ASN A 317 ? 0.6201 0.8319 0.6238 -0.1536 0.0841 0.1222 938 ASN A CA 2268 C C . ASN A 317 ? 0.5809 0.7927 0.5794 -0.1172 0.0935 0.1035 938 ASN A C 2269 O O . ASN A 317 ? 0.6371 0.8931 0.6494 -0.1006 0.1130 0.1031 938 ASN A O 2270 C CB . ASN A 317 ? 0.6012 0.8210 0.6369 -0.1631 0.0652 0.1217 938 ASN A CB 2271 C CG . ASN A 317 ? 0.6595 0.8802 0.7037 -0.2014 0.0515 0.1402 938 ASN A CG 2272 O OD1 . ASN A 317 ? 0.6812 0.8798 0.7307 -0.2110 0.0301 0.1372 938 ASN A OD1 2273 N ND2 . ASN A 317 ? 0.6300 0.8736 0.6729 -0.2241 0.0625 0.1594 938 ASN A ND2 2274 N N . LEU A 318 ? 0.5600 0.7214 0.5372 -0.1049 0.0795 0.0884 939 LEU A N 2275 C CA . LEU A 318 ? 0.5575 0.7110 0.5278 -0.0749 0.0835 0.0714 939 LEU A CA 2276 C C . LEU A 318 ? 0.5743 0.7250 0.5150 -0.0603 0.1002 0.0682 939 LEU A C 2277 O O . LEU A 318 ? 0.5498 0.7212 0.4942 -0.0372 0.1125 0.0602 939 LEU A O 2278 C CB . LEU A 318 ? 0.5149 0.6198 0.4712 -0.0693 0.0649 0.0591 939 LEU A CB 2279 C CG . LEU A 318 ? 0.4903 0.5981 0.4720 -0.0746 0.0506 0.0577 939 LEU A CG 2280 C CD1 . LEU A 318 ? 0.5474 0.6076 0.5104 -0.0738 0.0347 0.0496 939 LEU A CD1 2281 C CD2 . LEU A 318 ? 0.4842 0.6201 0.4900 -0.0557 0.0542 0.0506 939 LEU A CD2 2282 N N . THR A 319 ? 0.6252 0.7480 0.5335 -0.0727 0.0998 0.0746 940 THR A N 2283 C CA . THR A 319 ? 0.6844 0.8013 0.5574 -0.0612 0.1149 0.0729 940 THR A CA 2284 C C . THR A 319 ? 0.6796 0.8538 0.5667 -0.0562 0.1409 0.0813 940 THR A C 2285 O O . THR A 319 ? 0.7052 0.8844 0.5730 -0.0320 0.1556 0.0721 940 THR A O 2286 C CB . THR A 319 ? 0.7673 0.8444 0.6018 -0.0773 0.1083 0.0810 940 THR A CB 2287 O OG1 . THR A 319 ? 0.9336 1.0238 0.7800 -0.1058 0.1074 0.0996 940 THR A OG1 2288 C CG2 . THR A 319 ? 0.7335 0.7586 0.5533 -0.0741 0.0850 0.0706 940 THR A CG2 2289 N N . SER A 320 ? 0.6799 0.8978 0.6010 -0.0778 0.1457 0.0984 941 SER A N 2290 C CA . SER A 320 ? 0.8153 1.1025 0.7617 -0.0741 0.1712 0.1093 941 SER A CA 2291 C C . SER A 320 ? 0.8168 1.1384 0.7917 -0.0425 0.1788 0.0963 941 SER A C 2292 O O . SER A 320 ? 0.8170 1.1660 0.7832 -0.0179 0.2015 0.0923 941 SER A O 2293 C CB . SER A 320 ? 0.8226 1.1516 0.8052 -0.1087 0.1702 0.1323 941 SER A CB 2294 O OG . SER A 320 ? 0.8916 1.1819 0.8444 -0.1380 0.1611 0.1449 941 SER A OG 2295 N N . PHE A 321 ? 0.6837 0.9998 0.6874 -0.0415 0.1596 0.0897 942 PHE A N 2296 C CA . PHE A 321 ? 0.7283 1.0697 0.7575 -0.0120 0.1621 0.0781 942 PHE A CA 2297 C C . PHE A 321 ? 0.7597 1.0615 0.7493 0.0218 0.1663 0.0578 942 PHE A C 2298 O O . PHE A 321 ? 0.7344 1.0640 0.7281 0.0510 0.1822 0.0513 942 PHE A O 2299 C CB . PHE A 321 ? 0.6913 1.0249 0.7505 -0.0201 0.1382 0.0756 942 PHE A CB 2300 N N . LEU A 322 ? 0.6968 0.9343 0.6474 0.0179 0.1516 0.0484 943 LEU A N 2301 C CA . LEU A 322 ? 0.7016 0.8942 0.6115 0.0440 0.1503 0.0301 943 LEU A CA 2302 C C . LEU A 322 ? 0.7660 0.9575 0.6360 0.0576 0.1707 0.0283 943 LEU A C 2303 O O . LEU A 322 ? 0.7551 0.9339 0.6013 0.0874 0.1779 0.0143 943 LEU A O 2304 C CB . LEU A 322 ? 0.7494 0.8813 0.6360 0.0335 0.1268 0.0229 943 LEU A CB 2305 C CG . LEU A 322 ? 0.6617 0.7892 0.5795 0.0289 0.1084 0.0202 943 LEU A CG 2306 C CD1 . LEU A 322 ? 0.7458 0.8322 0.6517 0.0110 0.0895 0.0202 943 LEU A CD1 2307 C CD2 . LEU A 322 ? 0.7254 0.8392 0.6407 0.0547 0.1042 0.0061 943 LEU A CD2 2308 N N . GLY A 323 ? 0.7313 0.9310 0.5889 0.0361 0.1792 0.0424 944 GLY A N 2309 C CA . GLY A 323 ? 0.8119 1.0220 0.6338 0.0456 0.2029 0.0453 944 GLY A CA 2310 C C . GLY A 323 ? 0.8706 1.1433 0.7138 0.0698 0.2305 0.0466 944 GLY A C 2311 O O . GLY A 323 ? 0.9507 1.2164 0.7556 0.0975 0.2476 0.0365 944 GLY A O 2312 N N . CYS A 324 ? 0.8374 1.1706 0.7402 0.0610 0.2338 0.0587 945 CYS A N 2313 C CA . CYS A 324 ? 0.9333 1.3366 0.8691 0.0861 0.2579 0.0610 945 CYS A CA 2314 C C . CYS A 324 ? 0.9207 1.3050 0.8507 0.1275 0.2540 0.0392 945 CYS A C 2315 O O . CYS A 324 ? 0.8873 1.2923 0.8022 0.1623 0.2764 0.0315 945 CYS A O 2316 C CB . CYS A 324 ? 0.9966 1.4709 1.0009 0.0618 0.2579 0.0817 945 CYS A CB 2317 S SG . CYS A 324 ? 1.0685 1.5767 1.0763 0.0170 0.2704 0.1107 945 CYS A SG 2318 N N . GLN A 325 ? 0.8447 1.1866 0.7823 0.1242 0.2260 0.0295 946 GLN A N 2319 C CA . GLN A 325 ? 0.8715 1.1763 0.7926 0.1584 0.2165 0.0090 946 GLN A CA 2320 C C . GLN A 325 ? 0.8748 1.1196 0.7262 0.1811 0.2208 -0.0083 946 GLN A C 2321 O O . GLN A 325 ? 0.9034 1.1421 0.7348 0.2188 0.2305 -0.0220 946 GLN A O 2322 C CB . GLN A 325 ? 0.9110 1.1752 0.8457 0.1439 0.1852 0.0044 946 GLN A CB 2323 C CG . GLN A 325 ? 0.9217 1.2356 0.9182 0.1326 0.1774 0.0158 946 GLN A CG 2324 C CD . GLN A 325 ? 0.9779 1.3262 0.9999 0.1677 0.1834 0.0102 946 GLN A CD 2325 O OE1 . GLN A 325 ? 1.2012 1.5044 1.1985 0.1931 0.1734 -0.0057 946 GLN A OE1 2326 N NE2 . GLN A 325 ? 0.8547 1.2827 0.9267 0.1688 0.1980 0.0243 946 GLN A NE2 2327 N N . LEU A 326 ? 0.9174 1.1162 0.7307 0.1589 0.2119 -0.0076 947 LEU A N 2328 C CA . LEU A 326 ? 1.0167 1.1536 0.7603 0.1739 0.2110 -0.0225 947 LEU A CA 2329 C C . LEU A 326 ? 1.1236 1.2875 0.8370 0.1975 0.2429 -0.0231 947 LEU A C 2330 O O . LEU A 326 ? 1.2497 1.3779 0.9156 0.2309 0.2478 -0.0409 947 LEU A O 2331 C CB . LEU A 326 ? 1.0889 1.1789 0.8063 0.1423 0.1921 -0.0185 947 LEU A CB 2332 C CG . LEU A 326 ? 1.1298 1.1516 0.7768 0.1486 0.1831 -0.0312 947 LEU A CG 2333 C CD1 . LEU A 326 ? 1.1326 1.1021 0.7493 0.1746 0.1687 -0.0522 947 LEU A CD1 2334 C CD2 . LEU A 326 ? 1.1056 1.0946 0.7467 0.1158 0.1606 -0.0240 947 LEU A CD2 2335 N N . ALA A 327 ? 1.2093 1.4360 0.9493 0.1805 0.2645 -0.0032 948 ALA A N 2336 C CA . ALA A 327 ? 1.2882 1.5594 1.0092 0.2007 0.3007 0.0012 948 ALA A CA 2337 C C . ALA A 327 ? 1.2872 1.5957 1.0211 0.2468 0.3203 -0.0097 948 ALA A C 2338 O O . ALA A 327 ? 1.4635 1.7904 1.1642 0.2742 0.3492 -0.0133 948 ALA A O 2339 C CB . ALA A 327 ? 1.2406 1.5805 1.0000 0.1682 0.3182 0.0286 948 ALA A CB 2340 N N . ASP A 328 ? 1.2641 1.5829 1.0431 0.2569 0.3052 -0.0146 949 ASP A N 2341 C CA . ASP A 328 ? 1.4228 1.7409 1.1962 0.3060 0.3116 -0.0320 949 ASP A CA 2342 C C . ASP A 328 ? 1.5360 1.7509 1.2388 0.3245 0.2896 -0.0571 949 ASP A C 2343 O O . ASP A 328 ? 1.3543 1.5268 1.0644 0.3252 0.2620 -0.0663 949 ASP A O 2344 C CB . ASP A 328 ? 1.4319 1.7970 1.2776 0.3091 0.3011 -0.0263 949 ASP A CB 2345 C CG . ASP A 328 ? 1.3809 1.8516 1.2982 0.2928 0.3211 -0.0015 949 ASP A CG 2346 O OD1 . ASP A 328 ? 1.3710 1.8729 1.2885 0.2652 0.3369 0.0150 949 ASP A OD1 2347 O OD2 . ASP A 328 ? 1.2261 1.7477 1.1997 0.3061 0.3188 0.0025 949 ASP A OD2 2348 N N . ALA A 329 ? 1.6691 1.8442 1.3019 0.3366 0.3013 -0.0666 950 ALA A N 2349 C CA . ALA A 329 ? 1.6681 1.7496 1.2236 0.3605 0.2859 -0.0911 950 ALA A CA 2350 C C . ALA A 329 ? 1.6817 1.7776 1.1991 0.4132 0.3174 -0.1040 950 ALA A C 2351 O O . ALA A 329 ? 1.4635 1.5163 0.9073 0.4278 0.3274 -0.1150 950 ALA A O 2352 C CB . ALA A 329 ? 1.6234 1.6455 1.1245 0.3309 0.2718 -0.0912 950 ALA A CB 2353 N N . GLU A 330 ? 1.7077 1.8653 1.2763 0.4426 0.3322 -0.1024 951 GLU A N 2354 C CA . GLU A 330 ? 1.7249 1.9166 1.2760 0.4977 0.3652 -0.1122 951 GLU A CA 2355 C C . GLU A 330 ? 1.7659 2.0204 1.3066 0.4985 0.4060 -0.0996 951 GLU A C 2356 O O . GLU A 330 ? 1.6905 2.0169 1.2866 0.4608 0.4167 -0.0743 951 GLU A O 2357 C CB . GLU A 330 ? 1.8835 1.9746 1.3500 0.5401 0.3520 -0.1425 951 GLU A CB 2358 C CG . GLU A 330 ? 1.8165 1.8348 1.2847 0.5311 0.3087 -0.1527 951 GLU A CG 2359 C CD . GLU A 330 ? 1.9939 1.9362 1.4022 0.5823 0.2985 -0.1794 951 GLU A CD 2360 O OE1 . GLU A 330 ? 1.9705 1.8847 1.4012 0.5854 0.2722 -0.1832 951 GLU A OE1 2361 O OE2 . GLU A 330 ? 2.1046 2.0106 1.4394 0.6196 0.3157 -0.1965 951 GLU A OE2 # 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 ARG 1 571 571 ARG ARG A . n A 1 2 TYR 2 572 572 TYR TYR A . n A 1 3 GLU 3 573 573 GLU GLU A . n A 1 4 SER 4 574 574 SER SER A . n A 1 5 GLN 5 575 575 GLN GLN A . n A 1 6 LEU 6 576 576 LEU LEU A . n A 1 7 GLN 7 577 577 GLN GLN A . n A 1 8 MET 8 578 578 MET MET A . n A 1 9 VAL 9 579 579 VAL VAL A . n A 1 10 GLN 10 580 580 GLN GLN A . n A 1 11 VAL 11 581 581 VAL VAL A . n A 1 12 THR 12 582 582 THR THR A . n A 1 13 GLY 13 583 583 GLY GLY A . n A 1 14 SER 14 584 584 SER SER A . n A 1 15 SER 15 585 585 SER SER A . n A 1 16 ASP 16 586 586 ASP ASP A . n A 1 17 ASN 17 587 587 ASN ASN A . n A 1 18 GLU 18 588 588 GLU GLU A . n A 1 19 TYR 19 589 589 TYR TYR A . n A 1 20 PHE 20 590 590 PHE PHE A . n A 1 21 TYR 21 591 591 TYR TYR A . n A 1 22 VAL 22 592 592 VAL VAL A . n A 1 23 ASP 23 593 593 ASP ASP A . n A 1 24 PHE 24 594 594 PHE PHE A . n A 1 25 ARG 25 595 595 ARG ARG A . n A 1 26 GLU 26 596 596 GLU GLU A . n A 1 27 TYR 27 597 597 TYR TYR A . n A 1 28 GLU 28 598 598 GLU GLU A . n A 1 29 TYR 29 599 599 TYR TYR A . n A 1 30 ASP 30 600 600 ASP ASP A . n A 1 31 LEU 31 601 601 LEU LEU A . n A 1 32 LYS 32 602 602 LYS LYS A . n A 1 33 TRP 33 603 603 TRP TRP A . n A 1 34 GLU 34 604 604 GLU GLU A . n A 1 35 PHE 35 605 605 PHE PHE A . n A 1 36 PRO 36 606 606 PRO PRO A . n A 1 37 ARG 37 607 607 ARG ARG A . n A 1 38 GLU 38 608 608 GLU GLU A . n A 1 39 ASN 39 609 609 ASN ASN A . n A 1 40 LEU 40 610 610 LEU LEU A . n A 1 41 GLU 41 611 611 GLU GLU A . n A 1 42 PHE 42 612 612 PHE PHE A . n A 1 43 GLY 43 613 613 GLY GLY A . n A 1 44 LYS 44 614 614 LYS LYS A . n A 1 45 VAL 45 615 615 VAL VAL A . n A 1 46 LEU 46 616 616 LEU LEU A . n A 1 47 GLY 47 617 617 GLY GLY A . n A 1 48 SER 48 618 618 SER SER A . n A 1 49 GLY 49 619 619 GLY GLY A . n A 1 50 ALA 50 620 620 ALA ALA A . n A 1 51 PHE 51 621 621 PHE PHE A . n A 1 52 GLY 52 622 622 GLY GLY A . n A 1 53 LYS 53 623 623 LYS LYS A . n A 1 54 VAL 54 624 624 VAL VAL A . n A 1 55 MET 55 625 625 MET MET A . n A 1 56 ASN 56 626 626 ASN ASN A . n A 1 57 ALA 57 627 627 ALA ALA A . n A 1 58 THR 58 628 628 THR THR A . n A 1 59 ALA 59 629 629 ALA ALA A . n A 1 60 TYR 60 630 630 TYR TYR A . n A 1 61 GLY 61 631 631 GLY GLY A . n A 1 62 ILE 62 632 632 ILE ILE A . n A 1 63 SER 63 633 633 SER SER A . n A 1 64 LYS 64 634 ? ? ? A . n A 1 65 THR 65 635 ? ? ? A . n A 1 66 GLY 66 636 ? ? ? A . n A 1 67 VAL 67 637 637 VAL VAL A . n A 1 68 SER 68 638 638 SER SER A . n A 1 69 ILE 69 639 639 ILE ILE A . n A 1 70 GLN 70 640 640 GLN GLN A . n A 1 71 VAL 71 641 641 VAL VAL A . n A 1 72 ALA 72 642 642 ALA ALA A . n A 1 73 VAL 73 643 643 VAL VAL A . n A 1 74 LYS 74 644 644 LYS LYS A . n A 1 75 MET 75 645 645 MET MET A . n A 1 76 LEU 76 646 646 LEU LEU A . n A 1 77 LYS 77 647 647 LYS LYS A . n A 1 78 GLU 78 648 648 GLU GLU A . n A 1 79 LYS 79 649 ? ? ? A . n A 1 80 ALA 80 650 ? ? ? A . n A 1 81 ASP 81 651 651 ASP ASP A . n A 1 82 SER 82 652 652 SER SER A . n A 1 83 SER 83 653 653 SER SER A . n A 1 84 GLU 84 654 654 GLU GLU A . n A 1 85 ARG 85 655 655 ARG ARG A . n A 1 86 GLU 86 656 656 GLU GLU A . n A 1 87 ALA 87 657 657 ALA ALA A . n A 1 88 LEU 88 658 658 LEU LEU A . n A 1 89 MET 89 659 659 MET MET A . n A 1 90 SER 90 660 660 SER SER A . n A 1 91 GLU 91 661 661 GLU GLU A . n A 1 92 LEU 92 662 662 LEU LEU A . n A 1 93 LYS 93 663 663 LYS LYS A . n A 1 94 MET 94 664 664 MET MET A . n A 1 95 MET 95 665 665 MET MET A . n A 1 96 THR 96 666 666 THR THR A . n A 1 97 GLN 97 667 667 GLN GLN A . n A 1 98 LEU 98 668 668 LEU LEU A . n A 1 99 GLY 99 669 669 GLY GLY A . n A 1 100 SER 100 670 670 SER SER A . n A 1 101 HIS 101 671 671 HIS HIS A . n A 1 102 GLU 102 672 672 GLU GLU A . n A 1 103 ASN 103 673 673 ASN ASN A . n A 1 104 ILE 104 674 674 ILE ILE A . n A 1 105 VAL 105 675 675 VAL VAL A . n A 1 106 ASN 106 676 676 ASN ASN A . n A 1 107 LEU 107 677 677 LEU LEU A . n A 1 108 LEU 108 678 678 LEU LEU A . n A 1 109 GLY 109 679 679 GLY GLY A . n A 1 110 ALA 110 680 680 ALA ALA A . n A 1 111 CYS 111 681 681 CYS CYS A . n A 1 112 THR 112 682 682 THR THR A . n A 1 113 LEU 113 683 683 LEU LEU A . n A 1 114 SER 114 684 684 SER SER A . n A 1 115 GLY 115 685 685 GLY GLY A . n A 1 116 PRO 116 686 686 PRO PRO A . n A 1 117 ILE 117 687 687 ILE ILE A . n A 1 118 TYR 118 688 688 TYR TYR A . n A 1 119 LEU 119 689 689 LEU LEU A . n A 1 120 ILE 120 690 690 ILE ILE A . n A 1 121 PHE 121 691 691 PHE PHE A . n A 1 122 GLU 122 692 692 GLU GLU A . n A 1 123 TYR 123 693 693 TYR TYR A . n A 1 124 CYS 124 694 694 CYS CYS A . n A 1 125 CYS 125 695 695 CYS CYS A . n A 1 126 TYR 126 696 696 TYR TYR A . n A 1 127 GLY 127 697 697 GLY GLY A . n A 1 128 ASP 128 698 698 ASP ASP A . n A 1 129 LEU 129 699 699 LEU LEU A . n A 1 130 LEU 130 700 700 LEU LEU A . n A 1 131 ASN 131 701 701 ASN ASN A . n A 1 132 TYR 132 702 702 TYR TYR A . n A 1 133 LEU 133 703 703 LEU LEU A . n A 1 134 ARG 134 704 704 ARG ARG A . n A 1 135 SER 135 705 705 SER SER A . n A 1 136 LYS 136 706 706 LYS LYS A . n A 1 137 ARG 137 707 707 ARG ARG A . n A 1 138 GLU 138 708 708 GLU GLU A . n A 1 139 LYS 139 709 709 LYS LYS A . n A 1 140 PHE 140 710 710 PHE PHE A . n A 1 141 SER 141 762 762 SER SER A . n A 1 142 GLU 142 763 ? ? ? A . n A 1 143 ASP 143 764 ? ? ? A . n A 1 144 GLU 144 765 ? ? ? A . n A 1 145 ILE 145 766 ? ? ? A . n A 1 146 GLU 146 767 ? ? ? A . n A 1 147 TYR 147 768 ? ? ? A . n A 1 148 GLU 148 769 ? ? ? A . n A 1 149 ASN 149 770 ? ? ? A . n A 1 150 GLN 150 771 ? ? ? A . n A 1 151 LYS 151 772 ? ? ? A . n A 1 152 ARG 152 773 ? ? ? A . n A 1 153 LEU 153 774 ? ? ? A . n A 1 154 GLU 154 775 ? ? ? A . n A 1 155 GLU 155 776 ? ? ? A . n A 1 156 GLU 156 777 ? ? ? A . n A 1 157 GLU 157 778 ? ? ? A . n A 1 158 ASP 158 779 ? ? ? A . n A 1 159 LEU 159 780 ? ? ? A . n A 1 160 ASN 160 781 781 ASN ASN A . n A 1 161 VAL 161 782 782 VAL VAL A . n A 1 162 LEU 162 783 783 LEU LEU A . n A 1 163 THR 163 784 784 THR THR A . n A 1 164 PHE 164 785 785 PHE PHE A . n A 1 165 GLU 165 786 786 GLU GLU A . n A 1 166 ASP 166 787 787 ASP ASP A . n A 1 167 LEU 167 788 788 LEU LEU A . n A 1 168 LEU 168 789 789 LEU LEU A . n A 1 169 CYS 169 790 790 CYS CYS A . n A 1 170 PHE 170 791 791 PHE PHE A . n A 1 171 ALA 171 792 792 ALA ALA A . n A 1 172 TYR 172 793 793 TYR TYR A . n A 1 173 GLN 173 794 794 GLN GLN A . n A 1 174 VAL 174 795 795 VAL VAL A . n A 1 175 ALA 175 796 796 ALA ALA A . n A 1 176 LYS 176 797 797 LYS LYS A . n A 1 177 GLY 177 798 798 GLY GLY A . n A 1 178 MET 178 799 799 MET MET A . n A 1 179 GLU 179 800 800 GLU GLU A . n A 1 180 PHE 180 801 801 PHE PHE A . n A 1 181 LEU 181 802 802 LEU LEU A . n A 1 182 GLU 182 803 803 GLU GLU A . n A 1 183 PHE 183 804 804 PHE PHE A . n A 1 184 LYS 184 805 805 LYS LYS A . n A 1 185 SER 185 806 806 SER SER A . n A 1 186 CYS 186 807 807 CYS CYS A . n A 1 187 VAL 187 808 808 VAL VAL A . n A 1 188 HIS 188 809 809 HIS HIS A . n A 1 189 ARG 189 810 810 ARG ARG A . n A 1 190 ASP 190 811 811 ASP ASP A . n A 1 191 LEU 191 812 812 LEU LEU A . n A 1 192 ALA 192 813 813 ALA ALA A . n A 1 193 ALA 193 814 814 ALA ALA A . n A 1 194 ARG 194 815 815 ARG ARG A . n A 1 195 ASN 195 816 816 ASN ASN A . n A 1 196 VAL 196 817 817 VAL VAL A . n A 1 197 LEU 197 818 818 LEU LEU A . n A 1 198 VAL 198 819 819 VAL VAL A . n A 1 199 THR 199 820 820 THR THR A . n A 1 200 HIS 200 821 821 HIS HIS A . n A 1 201 GLY 201 822 822 GLY GLY A . n A 1 202 LYS 202 823 823 LYS LYS A . n A 1 203 VAL 203 824 824 VAL VAL A . n A 1 204 VAL 204 825 825 VAL VAL A . n A 1 205 LYS 205 826 826 LYS LYS A . n A 1 206 ILE 206 827 827 ILE ILE A . n A 1 207 CYS 207 828 828 CYS CYS A . n A 1 208 ASP 208 829 829 ASP ASP A . n A 1 209 PHE 209 830 830 PHE PHE A . n A 1 210 GLY 210 831 ? ? ? A . n A 1 211 LEU 211 832 ? ? ? A . n A 1 212 ALA 212 833 ? ? ? A . n A 1 213 ARG 213 834 ? ? ? A . n A 1 214 ASP 214 835 ? ? ? A . n A 1 215 ILE 215 836 ? ? ? A . n A 1 216 MET 216 837 837 MET MET A . n A 1 217 SER 217 838 838 SER SER A . n A 1 218 ASP 218 839 839 ASP ASP A . n A 1 219 SER 219 840 840 SER SER A . n A 1 220 ASN 220 841 841 ASN ASN A . n A 1 221 TYR 221 842 842 TYR TYR A . n A 1 222 VAL 222 843 843 VAL VAL A . n A 1 223 VAL 223 844 844 VAL VAL A . n A 1 224 ARG 224 845 845 ARG ARG A . n A 1 225 GLY 225 846 846 GLY GLY A . n A 1 226 ASN 226 847 847 ASN ASN A . n A 1 227 ALA 227 848 848 ALA ALA A . n A 1 228 ARG 228 849 849 ARG ARG A . n A 1 229 LEU 229 850 850 LEU LEU A . n A 1 230 PRO 230 851 851 PRO PRO A . n A 1 231 VAL 231 852 852 VAL VAL A . n A 1 232 LYS 232 853 853 LYS LYS A . n A 1 233 TRP 233 854 854 TRP TRP A . n A 1 234 MET 234 855 855 MET MET A . n A 1 235 ALA 235 856 856 ALA ALA A . n A 1 236 PRO 236 857 857 PRO PRO A . n A 1 237 GLU 237 858 858 GLU GLU A . n A 1 238 SER 238 859 859 SER SER A . n A 1 239 LEU 239 860 860 LEU LEU A . n A 1 240 PHE 240 861 861 PHE PHE A . n A 1 241 GLU 241 862 862 GLU GLU A . n A 1 242 GLY 242 863 863 GLY GLY A . n A 1 243 ILE 243 864 864 ILE ILE A . n A 1 244 TYR 244 865 865 TYR TYR A . n A 1 245 THR 245 866 866 THR THR A . n A 1 246 ILE 246 867 867 ILE ILE A . n A 1 247 LYS 247 868 868 LYS LYS A . n A 1 248 SER 248 869 869 SER SER A . n A 1 249 ASP 249 870 870 ASP ASP A . n A 1 250 VAL 250 871 871 VAL VAL A . n A 1 251 TRP 251 872 872 TRP TRP A . n A 1 252 SER 252 873 873 SER SER A . n A 1 253 TYR 253 874 874 TYR TYR A . n A 1 254 GLY 254 875 875 GLY GLY A . n A 1 255 ILE 255 876 876 ILE ILE A . n A 1 256 LEU 256 877 877 LEU LEU A . n A 1 257 LEU 257 878 878 LEU LEU A . n A 1 258 TRP 258 879 879 TRP TRP A . n A 1 259 GLU 259 880 880 GLU GLU A . n A 1 260 ILE 260 881 881 ILE ILE A . n A 1 261 PHE 261 882 882 PHE PHE A . n A 1 262 SER 262 883 883 SER SER A . n A 1 263 LEU 263 884 884 LEU LEU A . n A 1 264 GLY 264 885 885 GLY GLY A . n A 1 265 VAL 265 886 886 VAL VAL A . n A 1 266 ASN 266 887 887 ASN ASN A . n A 1 267 PRO 267 888 888 PRO PRO A . n A 1 268 TYR 268 889 889 TYR TYR A . n A 1 269 PRO 269 890 890 PRO PRO A . n A 1 270 GLY 270 891 891 GLY GLY A . n A 1 271 ILE 271 892 892 ILE ILE A . n A 1 272 PRO 272 893 893 PRO PRO A . n A 1 273 VAL 273 894 894 VAL VAL A . n A 1 274 ASP 274 895 895 ASP ASP A . n A 1 275 ALA 275 896 896 ALA ALA A . n A 1 276 ASN 276 897 897 ASN ASN A . n A 1 277 PHE 277 898 898 PHE PHE A . n A 1 278 TYR 278 899 899 TYR TYR A . n A 1 279 LYS 279 900 900 LYS LYS A . n A 1 280 LEU 280 901 901 LEU LEU A . n A 1 281 ILE 281 902 902 ILE ILE A . n A 1 282 GLN 282 903 903 GLN GLN A . n A 1 283 ASN 283 904 904 ASN ASN A . n A 1 284 GLY 284 905 905 GLY GLY A . n A 1 285 PHE 285 906 906 PHE PHE A . n A 1 286 LYS 286 907 907 LYS LYS A . n A 1 287 MET 287 908 908 MET MET A . n A 1 288 ASP 288 909 909 ASP ASP A . n A 1 289 GLN 289 910 910 GLN GLN A . n A 1 290 PRO 290 911 911 PRO PRO A . n A 1 291 PHE 291 912 912 PHE PHE A . n A 1 292 TYR 292 913 913 TYR TYR A . n A 1 293 ALA 293 914 914 ALA ALA A . n A 1 294 THR 294 915 915 THR THR A . n A 1 295 GLU 295 916 916 GLU GLU A . n A 1 296 GLU 296 917 917 GLU GLU A . n A 1 297 ILE 297 918 918 ILE ILE A . n A 1 298 TYR 298 919 919 TYR TYR A . n A 1 299 ILE 299 920 920 ILE ILE A . n A 1 300 ILE 300 921 921 ILE ILE A . n A 1 301 MET 301 922 922 MET MET A . n A 1 302 GLN 302 923 923 GLN GLN A . n A 1 303 SER 303 924 924 SER SER A . n A 1 304 CYS 304 925 925 CYS CYS A . n A 1 305 TRP 305 926 926 TRP TRP A . n A 1 306 ALA 306 927 927 ALA ALA A . n A 1 307 PHE 307 928 928 PHE PHE A . n A 1 308 ASP 308 929 929 ASP ASP A . n A 1 309 SER 309 930 930 SER SER A . n A 1 310 ARG 310 931 931 ARG ARG A . n A 1 311 LYS 311 932 932 LYS LYS A . n A 1 312 ARG 312 933 933 ARG ARG A . n A 1 313 PRO 313 934 934 PRO PRO A . n A 1 314 SER 314 935 935 SER SER A . n A 1 315 PHE 315 936 936 PHE PHE A . n A 1 316 PRO 316 937 937 PRO PRO A . n A 1 317 ASN 317 938 938 ASN ASN A . n A 1 318 LEU 318 939 939 LEU LEU A . n A 1 319 THR 319 940 940 THR THR A . n A 1 320 SER 320 941 941 SER SER A . n A 1 321 PHE 321 942 942 PHE PHE A . n A 1 322 LEU 322 943 943 LEU LEU A . n A 1 323 GLY 323 944 944 GLY GLY A . n A 1 324 CYS 324 945 945 CYS CYS A . n A 1 325 GLN 325 946 946 GLN GLN A . n A 1 326 LEU 326 947 947 LEU LEU A . n A 1 327 ALA 327 948 948 ALA ALA A . n A 1 328 ASP 328 949 949 ASP ASP A . n A 1 329 ALA 329 950 950 ALA ALA A . n A 1 330 GLU 330 951 951 GLU GLU 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 C6F 1 1001 1001 C6F C6F A . C 3 SO4 1 1002 1002 SO4 SO4 A . D 3 SO4 1 1003 1003 SO4 SO4 A . E 3 SO4 1 1004 1004 SO4 SO4 A . F 4 GOL 1 1005 1005 GOL GOL A . G 4 GOL 1 1006 1006 GOL GOL A . H 5 CXS 1 1007 1007 CXS CXS A . I 4 GOL 1 1008 1008 GOL GOL A . J 6 HOH 1 1101 1101 HOH HOH A . J 6 HOH 2 1102 1102 HOH HOH A . J 6 HOH 3 1103 1103 HOH HOH A . J 6 HOH 4 1104 1104 HOH HOH A . J 6 HOH 5 1105 1105 HOH HOH A . J 6 HOH 6 1106 1106 HOH HOH A . J 6 HOH 7 1107 1107 HOH HOH A . J 6 HOH 8 1108 1108 HOH HOH A . J 6 HOH 9 1109 1109 HOH HOH A . J 6 HOH 10 1110 1110 HOH HOH A . J 6 HOH 11 1111 1111 HOH HOH A . J 6 HOH 12 1112 1112 HOH HOH A . J 6 HOH 13 1113 1113 HOH HOH A . J 6 HOH 14 1114 1114 HOH HOH A . J 6 HOH 15 1115 1115 HOH HOH A . J 6 HOH 16 1116 1116 HOH HOH A . J 6 HOH 17 1117 1117 HOH HOH A . J 6 HOH 18 1118 1118 HOH HOH A . J 6 HOH 19 1119 1119 HOH HOH A . J 6 HOH 20 1120 1120 HOH HOH A . J 6 HOH 21 1121 1121 HOH HOH A . J 6 HOH 22 1122 1122 HOH HOH A . J 6 HOH 23 1123 1123 HOH HOH A . J 6 HOH 24 1124 1124 HOH HOH A . J 6 HOH 25 1125 1125 HOH HOH A . J 6 HOH 26 1126 1126 HOH HOH A . J 6 HOH 27 1127 1127 HOH HOH A . J 6 HOH 28 1128 1128 HOH HOH A . J 6 HOH 29 1129 1129 HOH HOH A . J 6 HOH 30 1130 1130 HOH HOH A . J 6 HOH 31 1131 1131 HOH HOH A . J 6 HOH 32 1132 1132 HOH HOH A . J 6 HOH 33 1133 1133 HOH HOH A . J 6 HOH 34 1134 1134 HOH HOH A . J 6 HOH 35 1135 1135 HOH HOH A . J 6 HOH 36 1136 1136 HOH HOH A . J 6 HOH 37 1137 1137 HOH HOH A . J 6 HOH 38 1138 1138 HOH HOH A . J 6 HOH 39 1139 1139 HOH HOH A . J 6 HOH 40 1140 1140 HOH HOH A . J 6 HOH 41 1141 1141 HOH HOH A . J 6 HOH 42 1142 1142 HOH HOH A . J 6 HOH 43 1143 1143 HOH HOH A . J 6 HOH 44 1144 1144 HOH HOH A . J 6 HOH 45 1145 1145 HOH HOH A . J 6 HOH 46 1146 1146 HOH HOH A . J 6 HOH 47 1147 1147 HOH HOH A . J 6 HOH 48 1148 1148 HOH HOH A . J 6 HOH 49 1149 1149 HOH HOH A . J 6 HOH 50 1150 1150 HOH HOH A . J 6 HOH 51 1151 1151 HOH HOH A . J 6 HOH 52 1152 1152 HOH HOH A . J 6 HOH 53 1153 1153 HOH HOH A . J 6 HOH 54 1154 1154 HOH HOH A . J 6 HOH 55 1155 1155 HOH HOH A . J 6 HOH 56 1156 1156 HOH HOH A . J 6 HOH 57 1157 1157 HOH HOH A . J 6 HOH 58 1158 1158 HOH HOH A . J 6 HOH 59 1159 1159 HOH HOH A . J 6 HOH 60 1160 1160 HOH HOH A . J 6 HOH 61 1161 1161 HOH HOH A . J 6 HOH 62 1162 1162 HOH HOH A . J 6 HOH 63 1163 1163 HOH HOH A . J 6 HOH 64 1164 1164 HOH HOH A . J 6 HOH 65 1165 1165 HOH HOH A . J 6 HOH 66 1166 1166 HOH HOH A . J 6 HOH 67 1167 1167 HOH HOH A . J 6 HOH 68 1168 1168 HOH HOH A . J 6 HOH 69 1169 1169 HOH HOH A . J 6 HOH 70 1170 1170 HOH HOH A . J 6 HOH 71 1171 1171 HOH HOH A . J 6 HOH 72 1172 1172 HOH HOH A . J 6 HOH 73 1173 1173 HOH HOH A . J 6 HOH 74 1174 1174 HOH HOH A . J 6 HOH 75 1175 1175 HOH HOH A . J 6 HOH 76 1176 1176 HOH HOH A . J 6 HOH 77 1177 1177 HOH HOH A . J 6 HOH 78 1178 1178 HOH HOH A . J 6 HOH 79 1179 1179 HOH HOH A . J 6 HOH 80 1180 1180 HOH HOH A . J 6 HOH 81 1181 1181 HOH HOH A . J 6 HOH 82 1182 1182 HOH HOH A . J 6 HOH 83 1183 1183 HOH HOH A . J 6 HOH 84 1184 1184 HOH HOH A . J 6 HOH 85 1185 1185 HOH HOH A . J 6 HOH 86 1186 1186 HOH HOH A . J 6 HOH 87 1187 1187 HOH HOH A . J 6 HOH 88 1188 1188 HOH HOH A . J 6 HOH 89 1189 1189 HOH HOH A . J 6 HOH 90 1190 1190 HOH HOH A . J 6 HOH 91 1191 1191 HOH HOH A . J 6 HOH 92 1192 1192 HOH HOH A . J 6 HOH 93 1193 1193 HOH HOH A . J 6 HOH 94 1194 1194 HOH HOH A . J 6 HOH 95 1195 1195 HOH HOH A . J 6 HOH 96 1196 1196 HOH HOH A . J 6 HOH 97 1197 1197 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 monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J # 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)' 180 ? 1 MORE -14 ? 1 'SSA (A^2)' 15130 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A GOL 1008 ? I GOL . 2 1 A HOH 1192 ? J HOH . # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2019-11-20 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? _pdbx_audit_revision_details.details ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -23.7320 15.6100 -22.4260 0.3115 0.1287 0.1134 -0.0370 -0.0539 -0.0163 6.3948 1.3606 7.2306 -2.3376 6.2449 -1.6837 -0.2443 -0.5385 0.1471 0.3721 0.1367 -0.0652 0.0515 -0.4176 0.1076 'X-RAY DIFFRACTION' 2 ? refined -33.6210 3.4600 -32.2110 0.2341 0.0709 0.1401 -0.0785 -0.0679 0.0412 6.6609 5.7716 2.7797 -1.7309 2.5222 -0.0085 0.0584 -0.3384 -0.3548 0.0584 0.0623 0.8001 0.3215 -0.3931 -0.1207 'X-RAY DIFFRACTION' 3 ? refined -12.5350 -4.5730 -19.1690 0.0702 0.0221 0.0085 -0.0110 -0.0065 -0.0006 1.6749 3.2079 4.6058 -0.1863 1.2986 -0.9285 0.0448 0.1413 -0.0538 -0.2491 -0.0208 -0.0981 0.1112 0.2437 -0.0240 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 571 ? ? A 603 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 604 ? ? A 693 ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 694 ? ? A 951 ? ? ? ? # 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 ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0155 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 3 # 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 LYS A 709 ? ? -97.43 30.50 2 1 ASP A 811 ? ? -158.30 48.84 3 1 THR A 820 ? ? -128.57 -167.05 4 1 ARG A 845 ? ? -155.65 89.78 5 1 ALA A 950 ? ? -113.12 55.64 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A ARG 571 ? CG ? A ARG 1 CG 2 1 Y 1 A ARG 571 ? CD ? A ARG 1 CD 3 1 Y 1 A ARG 571 ? NE ? A ARG 1 NE 4 1 Y 1 A ARG 571 ? CZ ? A ARG 1 CZ 5 1 Y 1 A ARG 571 ? NH1 ? A ARG 1 NH1 6 1 Y 1 A ARG 571 ? NH2 ? A ARG 1 NH2 7 1 Y 1 A GLU 608 ? CD ? A GLU 38 CD 8 1 Y 1 A GLU 608 ? OE1 ? A GLU 38 OE1 9 1 Y 1 A GLU 608 ? OE2 ? A GLU 38 OE2 10 1 Y 1 A GLU 611 ? CD ? A GLU 41 CD 11 1 Y 1 A GLU 611 ? OE1 ? A GLU 41 OE1 12 1 Y 1 A GLU 611 ? OE2 ? A GLU 41 OE2 13 1 Y 1 A LYS 614 ? CD ? A LYS 44 CD 14 1 Y 1 A LYS 614 ? CE ? A LYS 44 CE 15 1 Y 1 A LYS 614 ? NZ ? A LYS 44 NZ 16 1 Y 1 A PHE 621 ? CG ? A PHE 51 CG 17 1 Y 1 A PHE 621 ? CD1 ? A PHE 51 CD1 18 1 Y 1 A PHE 621 ? CD2 ? A PHE 51 CD2 19 1 Y 1 A PHE 621 ? CE1 ? A PHE 51 CE1 20 1 Y 1 A PHE 621 ? CE2 ? A PHE 51 CE2 21 1 Y 1 A PHE 621 ? CZ ? A PHE 51 CZ 22 1 Y 1 A LYS 623 ? CE ? A LYS 53 CE 23 1 Y 1 A LYS 623 ? NZ ? A LYS 53 NZ 24 1 Y 1 A LYS 647 ? CG ? A LYS 77 CG 25 1 Y 1 A LYS 647 ? CD ? A LYS 77 CD 26 1 Y 1 A LYS 647 ? CE ? A LYS 77 CE 27 1 Y 1 A LYS 647 ? NZ ? A LYS 77 NZ 28 1 Y 1 A GLU 648 ? CG ? A GLU 78 CG 29 1 Y 1 A GLU 648 ? CD ? A GLU 78 CD 30 1 Y 1 A GLU 648 ? OE1 ? A GLU 78 OE1 31 1 Y 1 A GLU 648 ? OE2 ? A GLU 78 OE2 32 1 Y 1 A ASP 651 ? CG ? A ASP 81 CG 33 1 Y 1 A ASP 651 ? OD1 ? A ASP 81 OD1 34 1 Y 1 A ASP 651 ? OD2 ? A ASP 81 OD2 35 1 Y 1 A SER 652 ? OG ? A SER 82 OG 36 1 Y 1 A SER 653 ? OG ? A SER 83 OG 37 1 Y 1 A ARG 655 ? CD ? A ARG 85 CD 38 1 Y 1 A ARG 655 ? NE ? A ARG 85 NE 39 1 Y 1 A ARG 655 ? CZ ? A ARG 85 CZ 40 1 Y 1 A ARG 655 ? NH1 ? A ARG 85 NH1 41 1 Y 1 A ARG 655 ? NH2 ? A ARG 85 NH2 42 1 Y 1 A GLU 708 ? CD ? A GLU 138 CD 43 1 Y 1 A GLU 708 ? OE1 ? A GLU 138 OE1 44 1 Y 1 A GLU 708 ? OE2 ? A GLU 138 OE2 45 1 Y 1 A LYS 709 ? CD ? A LYS 139 CD 46 1 Y 1 A LYS 709 ? CE ? A LYS 139 CE 47 1 Y 1 A LYS 709 ? NZ ? A LYS 139 NZ 48 1 Y 1 A ASN 781 ? CG ? A ASN 160 CG 49 1 Y 1 A ASN 781 ? OD1 ? A ASN 160 OD1 50 1 Y 1 A ASN 781 ? ND2 ? A ASN 160 ND2 51 1 Y 1 A LYS 797 ? CE ? A LYS 176 CE 52 1 Y 1 A LYS 797 ? NZ ? A LYS 176 NZ 53 1 Y 1 A LYS 823 ? NZ ? A LYS 202 NZ 54 1 Y 1 A MET 837 ? SD ? A MET 216 SD 55 1 Y 1 A MET 837 ? CE ? A MET 216 CE 56 1 Y 1 A SER 838 ? OG ? A SER 217 OG 57 1 Y 1 A ASN 847 ? CG ? A ASN 226 CG 58 1 Y 1 A ASN 847 ? OD1 ? A ASN 226 OD1 59 1 Y 1 A ASN 847 ? ND2 ? A ASN 226 ND2 60 1 Y 1 A GLU 916 ? CD ? A GLU 295 CD 61 1 Y 1 A GLU 916 ? OE1 ? A GLU 295 OE1 62 1 Y 1 A GLU 916 ? OE2 ? A GLU 295 OE2 63 1 Y 1 A ILE 921 ? CD1 ? A ILE 300 CD1 64 1 Y 1 A PHE 942 ? CG ? A PHE 321 CG 65 1 Y 1 A PHE 942 ? CD1 ? A PHE 321 CD1 66 1 Y 1 A PHE 942 ? CD2 ? A PHE 321 CD2 67 1 Y 1 A PHE 942 ? CE1 ? A PHE 321 CE1 68 1 Y 1 A PHE 942 ? CE2 ? A PHE 321 CE2 69 1 Y 1 A PHE 942 ? CZ ? A PHE 321 CZ # 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 LYS 634 ? A LYS 64 2 1 Y 1 A THR 635 ? A THR 65 3 1 Y 1 A GLY 636 ? A GLY 66 4 1 Y 1 A LYS 649 ? A LYS 79 5 1 Y 1 A ALA 650 ? A ALA 80 6 1 Y 1 A GLU 763 ? A GLU 142 7 1 Y 1 A ASP 764 ? A ASP 143 8 1 Y 1 A GLU 765 ? A GLU 144 9 1 Y 1 A ILE 766 ? A ILE 145 10 1 Y 1 A GLU 767 ? A GLU 146 11 1 Y 1 A TYR 768 ? A TYR 147 12 1 Y 1 A GLU 769 ? A GLU 148 13 1 Y 1 A ASN 770 ? A ASN 149 14 1 Y 1 A GLN 771 ? A GLN 150 15 1 Y 1 A LYS 772 ? A LYS 151 16 1 Y 1 A ARG 773 ? A ARG 152 17 1 Y 1 A LEU 774 ? A LEU 153 18 1 Y 1 A GLU 775 ? A GLU 154 19 1 Y 1 A GLU 776 ? A GLU 155 20 1 Y 1 A GLU 777 ? A GLU 156 21 1 Y 1 A GLU 778 ? A GLU 157 22 1 Y 1 A ASP 779 ? A ASP 158 23 1 Y 1 A LEU 780 ? A LEU 159 24 1 Y 1 A GLY 831 ? A GLY 210 25 1 Y 1 A LEU 832 ? A LEU 211 26 1 Y 1 A ALA 833 ? A ALA 212 27 1 Y 1 A ARG 834 ? A ARG 213 28 1 Y 1 A ASP 835 ? A ASP 214 29 1 Y 1 A ILE 836 ? A ILE 215 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 '6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide' C6F 3 'SULFATE ION' SO4 4 GLYCEROL GOL 5 '3-CYCLOHEXYL-1-PROPYLSULFONIC ACID' CXS 6 water HOH # _pdbx_struct_assembly_auth_evidence.id 1 _pdbx_struct_assembly_auth_evidence.assembly_id 1 _pdbx_struct_assembly_auth_evidence.experimental_support none _pdbx_struct_assembly_auth_evidence.details ? # If you find results from this site helpful for your research, please cite one of our papers:
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