data_4O6B # _entry.id 4O6B # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4O6B RCSB RCSB084096 WWPDB D_1000084096 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4O6C unspecified . PDB 4O6D unspecified . # _pdbx_database_status.entry_id 4O6B _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2013-12-20 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Akey, D.L.' 1 'Smith, J.L.' 2 # _citation.id primary _citation.title 'Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.' _citation.journal_abbrev Science _citation.journal_volume 343 _citation.page_first 881 _citation.page_last 885 _citation.year 2014 _citation.journal_id_ASTM SCIEAS _citation.country US _citation.journal_id_ISSN 0036-8075 _citation.journal_id_CSD 0038 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 24505133 _citation.pdbx_database_id_DOI 10.1126/science.1247749 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Akey, D.L.' 1 primary 'Brown, W.C.' 2 primary 'Dutta, S.' 3 primary 'Konwerski, J.' 4 primary 'Jose, J.' 5 primary 'Jurkiw, T.J.' 6 primary 'DelProposto, J.' 7 primary 'Ogata, C.M.' 8 primary 'Skiniotis, G.' 9 primary 'Kuhn, R.J.' 10 primary 'Smith, J.L.' 11 # _cell.length_a 175.879 _cell.length_b 175.879 _cell.length_c 81.419 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 _cell.entry_id 4O6B _cell.pdbx_unique_axis ? _cell.Z_PDB 18 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'H 3' _symmetry.entry_id 4O6B _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 146 _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Non-structural protein 1' 42674.211 2 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name NS1 # _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 ;AHHHHHHSSGVDLGTENLYFQSNADSGCVVSWKNKELKCGSGIFITDNVHTWTEQYKFQPESPSKLASAIQKAHEEGICG IRSVTRLENLMWKQITPELNHILSENEVKLTIMTGDIKGIMQAGKRSLRPQPTELKYSWKTWGKAKMLSTESHNQTFLID GPETAECPNTNRAWNSLEVEDYGFGVFTTNIWLKLKEKQDVFCDSKLMSAAIKDNRAVHADMGYWIESALNDTWKIEKAS FIEVKNCHWPKSHTLWSNGVLESEMIIPKNLAGPVSQHNYRPGYHTQITGPWHLGKLEMDFDFCDGTTVVVTEDCGNRGP SLRTTTASGKLITEWCCRSCTLPPLRYRGEDGCWYGMEIRPLKEKEENLVNSLVTA ; _entity_poly.pdbx_seq_one_letter_code_can ;AHHHHHHSSGVDLGTENLYFQSNADSGCVVSWKNKELKCGSGIFITDNVHTWTEQYKFQPESPSKLASAIQKAHEEGICG IRSVTRLENLMWKQITPELNHILSENEVKLTIMTGDIKGIMQAGKRSLRPQPTELKYSWKTWGKAKMLSTESHNQTFLID GPETAECPNTNRAWNSLEVEDYGFGVFTTNIWLKLKEKQDVFCDSKLMSAAIKDNRAVHADMGYWIESALNDTWKIEKAS FIEVKNCHWPKSHTLWSNGVLESEMIIPKNLAGPVSQHNYRPGYHTQITGPWHLGKLEMDFDFCDGTTVVVTEDCGNRGP SLRTTTASGKLITEWCCRSCTLPPLRYRGEDGCWYGMEIRPLKEKEENLVNSLVTA ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 HIS n 1 3 HIS n 1 4 HIS n 1 5 HIS n 1 6 HIS n 1 7 HIS n 1 8 SER n 1 9 SER n 1 10 GLY n 1 11 VAL n 1 12 ASP n 1 13 LEU n 1 14 GLY n 1 15 THR n 1 16 GLU n 1 17 ASN n 1 18 LEU n 1 19 TYR n 1 20 PHE n 1 21 GLN n 1 22 SER n 1 23 ASN n 1 24 ALA n 1 25 ASP n 1 26 SER n 1 27 GLY n 1 28 CYS n 1 29 VAL n 1 30 VAL n 1 31 SER n 1 32 TRP n 1 33 LYS n 1 34 ASN n 1 35 LYS n 1 36 GLU n 1 37 LEU n 1 38 LYS n 1 39 CYS n 1 40 GLY n 1 41 SER n 1 42 GLY n 1 43 ILE n 1 44 PHE n 1 45 ILE n 1 46 THR n 1 47 ASP n 1 48 ASN n 1 49 VAL n 1 50 HIS n 1 51 THR n 1 52 TRP n 1 53 THR n 1 54 GLU n 1 55 GLN n 1 56 TYR n 1 57 LYS n 1 58 PHE n 1 59 GLN n 1 60 PRO n 1 61 GLU n 1 62 SER n 1 63 PRO n 1 64 SER n 1 65 LYS n 1 66 LEU n 1 67 ALA n 1 68 SER n 1 69 ALA n 1 70 ILE n 1 71 GLN n 1 72 LYS n 1 73 ALA n 1 74 HIS n 1 75 GLU n 1 76 GLU n 1 77 GLY n 1 78 ILE n 1 79 CYS n 1 80 GLY n 1 81 ILE n 1 82 ARG n 1 83 SER n 1 84 VAL n 1 85 THR n 1 86 ARG n 1 87 LEU n 1 88 GLU n 1 89 ASN n 1 90 LEU n 1 91 MET n 1 92 TRP n 1 93 LYS n 1 94 GLN n 1 95 ILE n 1 96 THR n 1 97 PRO n 1 98 GLU n 1 99 LEU n 1 100 ASN n 1 101 HIS n 1 102 ILE n 1 103 LEU n 1 104 SER n 1 105 GLU n 1 106 ASN n 1 107 GLU n 1 108 VAL n 1 109 LYS n 1 110 LEU n 1 111 THR n 1 112 ILE n 1 113 MET n 1 114 THR n 1 115 GLY n 1 116 ASP n 1 117 ILE n 1 118 LYS n 1 119 GLY n 1 120 ILE n 1 121 MET n 1 122 GLN n 1 123 ALA n 1 124 GLY n 1 125 LYS n 1 126 ARG n 1 127 SER n 1 128 LEU n 1 129 ARG n 1 130 PRO n 1 131 GLN n 1 132 PRO n 1 133 THR n 1 134 GLU n 1 135 LEU n 1 136 LYS n 1 137 TYR n 1 138 SER n 1 139 TRP n 1 140 LYS n 1 141 THR n 1 142 TRP n 1 143 GLY n 1 144 LYS n 1 145 ALA n 1 146 LYS n 1 147 MET n 1 148 LEU n 1 149 SER n 1 150 THR n 1 151 GLU n 1 152 SER n 1 153 HIS n 1 154 ASN n 1 155 GLN n 1 156 THR n 1 157 PHE n 1 158 LEU n 1 159 ILE n 1 160 ASP n 1 161 GLY n 1 162 PRO n 1 163 GLU n 1 164 THR n 1 165 ALA n 1 166 GLU n 1 167 CYS n 1 168 PRO n 1 169 ASN n 1 170 THR n 1 171 ASN n 1 172 ARG n 1 173 ALA n 1 174 TRP n 1 175 ASN n 1 176 SER n 1 177 LEU n 1 178 GLU n 1 179 VAL n 1 180 GLU n 1 181 ASP n 1 182 TYR n 1 183 GLY n 1 184 PHE n 1 185 GLY n 1 186 VAL n 1 187 PHE n 1 188 THR n 1 189 THR n 1 190 ASN n 1 191 ILE n 1 192 TRP n 1 193 LEU n 1 194 LYS n 1 195 LEU n 1 196 LYS n 1 197 GLU n 1 198 LYS n 1 199 GLN n 1 200 ASP n 1 201 VAL n 1 202 PHE n 1 203 CYS n 1 204 ASP n 1 205 SER n 1 206 LYS n 1 207 LEU n 1 208 MET n 1 209 SER n 1 210 ALA n 1 211 ALA n 1 212 ILE n 1 213 LYS n 1 214 ASP n 1 215 ASN n 1 216 ARG n 1 217 ALA n 1 218 VAL n 1 219 HIS n 1 220 ALA n 1 221 ASP n 1 222 MET n 1 223 GLY n 1 224 TYR n 1 225 TRP n 1 226 ILE n 1 227 GLU n 1 228 SER n 1 229 ALA n 1 230 LEU n 1 231 ASN n 1 232 ASP n 1 233 THR n 1 234 TRP n 1 235 LYS n 1 236 ILE n 1 237 GLU n 1 238 LYS n 1 239 ALA n 1 240 SER n 1 241 PHE n 1 242 ILE n 1 243 GLU n 1 244 VAL n 1 245 LYS n 1 246 ASN n 1 247 CYS n 1 248 HIS n 1 249 TRP n 1 250 PRO n 1 251 LYS n 1 252 SER n 1 253 HIS n 1 254 THR n 1 255 LEU n 1 256 TRP n 1 257 SER n 1 258 ASN n 1 259 GLY n 1 260 VAL n 1 261 LEU n 1 262 GLU n 1 263 SER n 1 264 GLU n 1 265 MET n 1 266 ILE n 1 267 ILE n 1 268 PRO n 1 269 LYS n 1 270 ASN n 1 271 LEU n 1 272 ALA n 1 273 GLY n 1 274 PRO n 1 275 VAL n 1 276 SER n 1 277 GLN n 1 278 HIS n 1 279 ASN n 1 280 TYR n 1 281 ARG n 1 282 PRO n 1 283 GLY n 1 284 TYR n 1 285 HIS n 1 286 THR n 1 287 GLN n 1 288 ILE n 1 289 THR n 1 290 GLY n 1 291 PRO n 1 292 TRP n 1 293 HIS n 1 294 LEU n 1 295 GLY n 1 296 LYS n 1 297 LEU n 1 298 GLU n 1 299 MET n 1 300 ASP n 1 301 PHE n 1 302 ASP n 1 303 PHE n 1 304 CYS n 1 305 ASP n 1 306 GLY n 1 307 THR n 1 308 THR n 1 309 VAL n 1 310 VAL n 1 311 VAL n 1 312 THR n 1 313 GLU n 1 314 ASP n 1 315 CYS n 1 316 GLY n 1 317 ASN n 1 318 ARG n 1 319 GLY n 1 320 PRO n 1 321 SER n 1 322 LEU n 1 323 ARG n 1 324 THR n 1 325 THR n 1 326 THR n 1 327 ALA n 1 328 SER n 1 329 GLY n 1 330 LYS n 1 331 LEU n 1 332 ILE n 1 333 THR n 1 334 GLU n 1 335 TRP n 1 336 CYS n 1 337 CYS n 1 338 ARG n 1 339 SER n 1 340 CYS n 1 341 THR n 1 342 LEU n 1 343 PRO n 1 344 PRO n 1 345 LEU n 1 346 ARG n 1 347 TYR n 1 348 ARG n 1 349 GLY n 1 350 GLU n 1 351 ASP n 1 352 GLY n 1 353 CYS n 1 354 TRP n 1 355 TYR n 1 356 GLY n 1 357 MET n 1 358 GLU n 1 359 ILE n 1 360 ARG n 1 361 PRO n 1 362 LEU n 1 363 LYS n 1 364 GLU n 1 365 LYS n 1 366 GLU n 1 367 GLU n 1 368 ASN n 1 369 LEU n 1 370 VAL n 1 371 ASN n 1 372 SER n 1 373 LEU n 1 374 VAL n 1 375 THR n 1 376 ALA n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name DENV-2 _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene NS1 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain Thailand/16681/1984 _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Dengue virus 2' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 31634 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'fall armyworm' _entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain Sf9 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type baculovirus _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pH-Op64-7 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code POLG_DEN26 _struct_ref.pdbx_db_accession P29990 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;ADSGCVVSWKNKELKCGSGIFITDNVHTWTEQYKFQPESPSKLASAIQKAHEEGICGIRSVTRLENLMWKQITPELNHIL SENEVKLTIMTGDIKGIMQAGKRSLRPQPTELKYSWKTWGKAKMLSTESHNQTFLIDGPETAECPNTNRAWNSLEVEDYG FGVFTTNIWLKLKEKQDVFCDSKLMSAAIKDNRAVHADMGYWIESALNDTWKIEKASFIEVKNCHWPKSHTLWSNGVLES EMIIPKNLAGPVSQHNYRPGYHTQITGPWHLGKLEMDFDFCDGTTVVVTEDCGNRGPSLRTTTASGKLITEWCCRSCTLP PLRYRGEDGCWYGMEIRPLKEKEENLVNSLVTA ; _struct_ref.pdbx_align_begin 775 _struct_ref.pdbx_db_isoform ? # 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 4O6B A 24 ? 376 ? P29990 775 ? 1127 ? 0 352 2 1 4O6B B 24 ? 376 ? P29990 775 ? 1127 ? 0 352 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4O6B ALA A 1 ? UNP P29990 ? ? 'EXPRESSION TAG' -23 1 1 4O6B HIS A 2 ? UNP P29990 ? ? 'EXPRESSION TAG' -22 2 1 4O6B HIS A 3 ? UNP P29990 ? ? 'EXPRESSION TAG' -21 3 1 4O6B HIS A 4 ? UNP P29990 ? ? 'EXPRESSION TAG' -20 4 1 4O6B HIS A 5 ? UNP P29990 ? ? 'EXPRESSION TAG' -19 5 1 4O6B HIS A 6 ? UNP P29990 ? ? 'EXPRESSION TAG' -18 6 1 4O6B HIS A 7 ? UNP P29990 ? ? 'EXPRESSION TAG' -17 7 1 4O6B SER A 8 ? UNP P29990 ? ? 'EXPRESSION TAG' -16 8 1 4O6B SER A 9 ? UNP P29990 ? ? 'EXPRESSION TAG' -15 9 1 4O6B GLY A 10 ? UNP P29990 ? ? 'EXPRESSION TAG' -14 10 1 4O6B VAL A 11 ? UNP P29990 ? ? 'EXPRESSION TAG' -13 11 1 4O6B ASP A 12 ? UNP P29990 ? ? 'EXPRESSION TAG' -12 12 1 4O6B LEU A 13 ? UNP P29990 ? ? 'EXPRESSION TAG' -11 13 1 4O6B GLY A 14 ? UNP P29990 ? ? 'EXPRESSION TAG' -10 14 1 4O6B THR A 15 ? UNP P29990 ? ? 'EXPRESSION TAG' -9 15 1 4O6B GLU A 16 ? UNP P29990 ? ? 'EXPRESSION TAG' -8 16 1 4O6B ASN A 17 ? UNP P29990 ? ? 'EXPRESSION TAG' -7 17 1 4O6B LEU A 18 ? UNP P29990 ? ? 'EXPRESSION TAG' -6 18 1 4O6B TYR A 19 ? UNP P29990 ? ? 'EXPRESSION TAG' -5 19 1 4O6B PHE A 20 ? UNP P29990 ? ? 'EXPRESSION TAG' -4 20 1 4O6B GLN A 21 ? UNP P29990 ? ? 'EXPRESSION TAG' -3 21 1 4O6B SER A 22 ? UNP P29990 ? ? 'EXPRESSION TAG' -2 22 1 4O6B ASN A 23 ? UNP P29990 ? ? 'EXPRESSION TAG' -1 23 2 4O6B ALA B 1 ? UNP P29990 ? ? 'EXPRESSION TAG' -23 24 2 4O6B HIS B 2 ? UNP P29990 ? ? 'EXPRESSION TAG' -22 25 2 4O6B HIS B 3 ? UNP P29990 ? ? 'EXPRESSION TAG' -21 26 2 4O6B HIS B 4 ? UNP P29990 ? ? 'EXPRESSION TAG' -20 27 2 4O6B HIS B 5 ? UNP P29990 ? ? 'EXPRESSION TAG' -19 28 2 4O6B HIS B 6 ? UNP P29990 ? ? 'EXPRESSION TAG' -18 29 2 4O6B HIS B 7 ? UNP P29990 ? ? 'EXPRESSION TAG' -17 30 2 4O6B SER B 8 ? UNP P29990 ? ? 'EXPRESSION TAG' -16 31 2 4O6B SER B 9 ? UNP P29990 ? ? 'EXPRESSION TAG' -15 32 2 4O6B GLY B 10 ? UNP P29990 ? ? 'EXPRESSION TAG' -14 33 2 4O6B VAL B 11 ? UNP P29990 ? ? 'EXPRESSION TAG' -13 34 2 4O6B ASP B 12 ? UNP P29990 ? ? 'EXPRESSION TAG' -12 35 2 4O6B LEU B 13 ? UNP P29990 ? ? 'EXPRESSION TAG' -11 36 2 4O6B GLY B 14 ? UNP P29990 ? ? 'EXPRESSION TAG' -10 37 2 4O6B THR B 15 ? UNP P29990 ? ? 'EXPRESSION TAG' -9 38 2 4O6B GLU B 16 ? UNP P29990 ? ? 'EXPRESSION TAG' -8 39 2 4O6B ASN B 17 ? UNP P29990 ? ? 'EXPRESSION TAG' -7 40 2 4O6B LEU B 18 ? UNP P29990 ? ? 'EXPRESSION TAG' -6 41 2 4O6B TYR B 19 ? UNP P29990 ? ? 'EXPRESSION TAG' -5 42 2 4O6B PHE B 20 ? UNP P29990 ? ? 'EXPRESSION TAG' -4 43 2 4O6B GLN B 21 ? UNP P29990 ? ? 'EXPRESSION TAG' -3 44 2 4O6B SER B 22 ? UNP P29990 ? ? 'EXPRESSION TAG' -2 45 2 4O6B ASN B 23 ? UNP P29990 ? ? 'EXPRESSION TAG' -1 46 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 4O6B _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.84 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 56.68 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.temp 278 _exptl_crystal_grow.pdbx_details '21% PEG 3350, 250 mM ammonium formate pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 278K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 300' _diffrn_detector.pdbx_collection_date 2013-08-14 _diffrn_detector.details 'K-B pair of biomorph mirrors' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'double crystal monochromator' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97934 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 23-ID-D' _diffrn_source.pdbx_wavelength_list 0.97934 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 23-ID-D # _reflns.entry_id 4O6B _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 3.00 _reflns.d_resolution_low 50 _reflns.number_all 19002 _reflns.number_obs 17731 _reflns.percent_possible_obs 94.3 _reflns.pdbx_Rmerge_I_obs .070 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 8.8 _reflns.B_iso_Wilson_estimate 73.7 _reflns.pdbx_redundancy 2.0 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 3.00 _reflns_shell.d_res_low 3.18 _reflns_shell.percent_possible_obs ? _reflns_shell.percent_possible_all 95.1 _reflns_shell.Rmerge_I_obs 0.613 _reflns_shell.meanI_over_sigI_obs 1.3 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_redundancy 2.0 _reflns_shell.number_unique_all 2893 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4O6B _refine.ls_d_res_high 3.0005 _refine.ls_d_res_low 47.0060 _refine.pdbx_ls_sigma_F 1.370 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 94.2300 _refine.ls_number_reflns_obs 17724 _refine.ls_number_reflns_all 19002 _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details Random _refine.details ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1922 _refine.ls_R_factor_R_work 0.1847 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2175 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 10.3600 _refine.ls_number_reflns_R_free 1836 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 88.5512 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.1100 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB ENTRY 4O6D' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values TWIN_LSQ_F _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 202.660 _refine.B_iso_min 38.590 _refine.pdbx_overall_phase_error 25.3700 _refine.occupancy_max 1.000 _refine.occupancy_min 1.000 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _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 5098 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 5126 _refine_hist.d_res_high 3.0005 _refine_hist.d_res_low 47.0060 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 5257 0.004 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 7127 0.712 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 774 0.046 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 903 0.002 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 1938 12.102 ? ? ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.pdbx_refine_id 3.0005 3.0816 13 83.0000 1235 . 0.3137 0.3175 . 140 . 1375 . . 'X-RAY DIFFRACTION' 3.0816 3.1722 13 87.0000 1252 . 0.2767 0.3318 . 140 . 1392 . . 'X-RAY DIFFRACTION' 3.1722 3.2746 13 87.0000 1235 . 0.2556 0.2673 . 139 . 1374 . . 'X-RAY DIFFRACTION' 3.2746 3.3916 13 88.0000 1308 . 0.2501 0.2811 . 142 . 1450 . . 'X-RAY DIFFRACTION' 3.3916 3.5273 13 86.0000 1243 . 0.2416 0.2644 . 142 . 1385 . . 'X-RAY DIFFRACTION' 3.5273 3.6878 13 74.0000 1053 . 0.3309 0.3531 . 117 . 1170 . . 'X-RAY DIFFRACTION' 3.6878 3.8822 13 79.0000 1139 . 0.2186 0.2410 . 121 . 1260 . . 'X-RAY DIFFRACTION' 3.8822 4.1253 13 84.0000 1223 . 0.1746 0.2139 . 138 . 1361 . . 'X-RAY DIFFRACTION' 4.1253 4.4436 13 86.0000 1227 . 0.1572 0.1970 . 133 . 1360 . . 'X-RAY DIFFRACTION' 4.4436 4.8903 13 87.0000 1274 . 0.1471 0.1499 . 135 . 1409 . . 'X-RAY DIFFRACTION' 4.8903 5.5970 13 87.0000 1244 . 0.1516 0.1688 . 144 . 1388 . . 'X-RAY DIFFRACTION' 5.5970 7.0478 13 87.0000 1259 . 0.1518 0.2080 . 139 . 1398 . . 'X-RAY DIFFRACTION' 7.0478 47.0119 13 87.0000 1259 . 0.1507 0.2024 . 143 . 1402 . . 'X-RAY DIFFRACTION' # _struct.entry_id 4O6B _struct.title 'Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal' _struct.pdbx_descriptor 'Non-structural protein 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4O6B _struct_keywords.text 'flavivirus, non-structural protein 1, NS1, VIRAL PROTEIN' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? # _struct_biol.id 1 _struct_biol.details ? # 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 1 SER A 62 ? GLU A 76 ? SER A 38 GLU A 52 1 ? 15 HELX_P HELX_P2 2 THR A 85 ? ASN A 106 ? THR A 61 ASN A 82 1 ? 22 HELX_P HELX_P3 3 PRO A 168 ? ARG A 172 ? PRO A 144 ARG A 148 5 ? 5 HELX_P HELX_P4 4 PRO A 268 ? ALA A 272 ? PRO A 244 ALA A 248 5 ? 5 HELX_P HELX_P5 5 PRO A 291 ? GLY A 295 ? PRO A 267 GLY A 271 5 ? 5 HELX_P HELX_P6 6 LYS A 365 ? LEU A 369 ? LYS A 341 LEU A 345 5 ? 5 HELX_P HELX_P7 7 SER B 62 ? GLY B 77 ? SER B 38 GLY B 53 1 ? 16 HELX_P HELX_P8 8 THR B 85 ? ASN B 106 ? THR B 61 ASN B 82 1 ? 22 HELX_P HELX_P9 9 PRO B 168 ? THR B 170 ? PRO B 144 THR B 146 5 ? 3 HELX_P HELX_P10 10 ASP B 204 ? MET B 208 ? ASP B 180 MET B 184 5 ? 5 HELX_P HELX_P11 11 PRO B 268 ? ALA B 272 ? PRO B 244 ALA B 248 5 ? 5 HELX_P HELX_P12 12 LYS B 365 ? LEU B 369 ? LYS B 341 LEU B 345 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 4 A CYS 15 1_555 ? ? ? ? ? ? ? 2.028 ? disulf2 disulf ? ? A CYS 79 SG ? ? ? 1_555 A CYS 167 SG ? ? A CYS 55 A CYS 143 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 203 SG ? ? ? 1_555 A CYS 247 SG ? ? A CYS 179 A CYS 223 1_555 ? ? ? ? ? ? ? 2.029 ? disulf4 disulf ? ? A CYS 304 SG ? ? ? 1_555 A CYS 353 SG ? ? A CYS 280 A CYS 329 1_555 ? ? ? ? ? ? ? 2.030 ? disulf5 disulf ? ? A CYS 315 SG ? ? ? 1_555 A CYS 336 SG ? ? A CYS 291 A CYS 312 1_555 ? ? ? ? ? ? ? 2.030 ? disulf6 disulf ? ? A CYS 337 SG ? ? ? 1_555 A CYS 340 SG ? ? A CYS 313 A CYS 316 1_555 ? ? ? ? ? ? ? 2.026 ? disulf7 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 39 SG ? ? B CYS 4 B CYS 15 1_555 ? ? ? ? ? ? ? 2.030 ? disulf8 disulf ? ? B CYS 79 SG ? ? ? 1_555 B CYS 167 SG ? ? B CYS 55 B CYS 143 1_555 ? ? ? ? ? ? ? 2.028 ? disulf9 disulf ? ? B CYS 203 SG ? ? ? 1_555 B CYS 247 SG ? ? B CYS 179 B CYS 223 1_555 ? ? ? ? ? ? ? 2.032 ? disulf10 disulf ? ? B CYS 304 SG ? ? ? 1_555 B CYS 353 SG ? ? B CYS 280 B CYS 329 1_555 ? ? ? ? ? ? ? 2.025 ? disulf11 disulf ? ? B CYS 315 SG ? ? ? 1_555 B CYS 336 SG ? ? B CYS 291 B CYS 312 1_555 ? ? ? ? ? ? ? 2.026 ? disulf12 disulf ? ? B CYS 337 SG ? ? ? 1_555 B CYS 340 SG ? ? B CYS 313 B CYS 316 1_555 ? ? ? ? ? ? ? 2.024 ? covale1 covale ? ? A ASN 231 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 207 A NAG 401 1_555 ? ? ? ? ? ? ? 1.453 ? covale2 covale ? ? B ASN 231 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 207 B NAG 401 1_555 ? ? ? ? ? ? ? 1.460 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 LEU 342 A . ? LEU 318 A PRO 343 A ? PRO 319 A 1 -1.53 2 LEU 342 B . ? LEU 318 B PRO 343 B ? PRO 319 B 1 -0.05 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 3 ? C ? 2 ? D ? 2 ? E ? 15 ? F ? 3 ? G ? 2 ? H ? 4 ? I ? 2 ? J ? 2 ? K ? 3 ? # 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel C 1 2 ? parallel D 1 2 ? parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel E 4 5 ? anti-parallel E 5 6 ? anti-parallel E 6 7 ? anti-parallel E 7 8 ? anti-parallel E 8 9 ? anti-parallel E 9 10 ? anti-parallel E 10 11 ? anti-parallel E 11 12 ? anti-parallel E 12 13 ? anti-parallel E 13 14 ? anti-parallel E 14 15 ? anti-parallel F 1 2 ? parallel F 2 3 ? anti-parallel G 1 2 ? parallel H 1 2 ? parallel H 2 3 ? parallel H 3 4 ? parallel I 1 2 ? parallel J 1 2 ? anti-parallel K 1 2 ? parallel K 2 3 ? 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 A 1 ASP A 25 ? VAL A 30 ? ASP A 1 VAL A 6 A 2 LEU A 37 ? THR A 46 ? LEU A 13 THR A 22 A 3 GLU B 36 ? THR B 46 ? GLU B 12 THR B 22 A 4 SER B 26 ? SER B 31 ? SER B 2 SER B 7 A 5 ASP A 25 ? VAL A 30 ? ASP A 1 VAL A 6 B 1 PHE A 58 ? GLN A 59 ? PHE A 34 GLN A 35 B 2 ILE A 191 ? LEU A 195 ? ILE A 167 LEU A 171 B 3 LEU A 177 ? ASP A 181 ? LEU A 153 ASP A 157 C 1 THR A 111 ? THR A 114 ? THR A 87 THR A 90 C 2 THR A 156 ? ILE A 159 ? THR A 132 ILE A 135 D 1 ILE A 120 ? MET A 121 ? ILE A 96 MET A 97 D 2 VAL A 244 ? LYS A 245 ? VAL A 220 LYS A 221 E 1 LEU A 322 ? ARG A 323 ? LEU A 298 ARG A 299 E 2 CYS A 353 ? TYR A 355 ? CYS A 329 TYR A 331 E 3 LEU A 345 ? ARG A 348 ? LEU A 321 ARG A 324 E 4 LEU A 297 ? PHE A 301 ? LEU A 273 PHE A 277 E 5 TRP A 234 ? PHE A 241 ? TRP A 210 PHE A 217 E 6 TYR A 224 ? LEU A 230 ? TYR A 200 LEU A 206 E 7 ARG A 216 ? ALA A 220 ? ARG A 192 ALA A 196 E 8 SER A 209 ? LYS A 213 ? SER A 185 LYS A 189 E 9 SER B 209 ? LYS B 213 ? SER B 185 LYS B 189 E 10 ARG B 216 ? ALA B 220 ? ARG B 192 ALA B 196 E 11 TYR B 224 ? LEU B 230 ? TYR B 200 LEU B 206 E 12 TRP B 234 ? PHE B 241 ? TRP B 210 PHE B 217 E 13 LEU B 297 ? PHE B 301 ? LEU B 273 PHE B 277 E 14 LEU B 345 ? ARG B 348 ? LEU B 321 ARG B 324 E 15 CYS B 353 ? TYR B 355 ? CYS B 329 TYR B 331 F 1 THR A 308 ? VAL A 311 ? THR A 284 VAL A 287 F 2 GLU A 334 ? CYS A 337 ? GLU A 310 CYS A 313 F 3 ILE A 359 ? PRO A 361 ? ILE A 335 PRO A 337 G 1 TYR B 56 ? PHE B 58 ? TYR B 32 PHE B 34 G 2 THR B 189 ? ILE B 191 ? THR B 165 ILE B 167 H 1 THR B 111 ? THR B 114 ? THR B 87 THR B 90 H 2 THR B 156 ? ILE B 159 ? THR B 132 ILE B 135 H 3 GLY B 80 ? ILE B 81 ? GLY B 56 ILE B 57 H 4 ARG B 172 ? ALA B 173 ? ARG B 148 ALA B 149 I 1 ILE B 120 ? MET B 121 ? ILE B 96 MET B 97 I 2 VAL B 244 ? LYS B 245 ? VAL B 220 LYS B 221 J 1 LEU B 177 ? GLU B 178 ? LEU B 153 GLU B 154 J 2 LYS B 194 ? LEU B 195 ? LYS B 170 LEU B 171 K 1 THR B 308 ? VAL B 311 ? THR B 284 VAL B 287 K 2 GLU B 334 ? CYS B 337 ? GLU B 310 CYS B 313 K 3 ARG B 360 ? PRO B 361 ? ARG B 336 PRO B 337 # 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 A 1 2 N VAL A 29 ? N VAL A 5 O LYS A 38 ? O LYS A 14 A 2 3 N ILE A 45 ? N ILE A 21 O ILE B 43 ? O ILE B 19 A 3 4 O GLU B 36 ? O GLU B 12 N SER B 31 ? N SER B 7 A 4 5 O SER B 26 ? O SER B 2 N VAL A 30 ? N VAL A 6 B 1 2 N GLN A 59 ? N GLN A 35 O LEU A 193 ? O LEU A 169 B 2 3 O LYS A 194 ? O LYS A 170 N GLU A 178 ? N GLU A 154 C 1 2 N MET A 113 ? N MET A 89 O PHE A 157 ? O PHE A 133 D 1 2 N MET A 121 ? N MET A 97 O VAL A 244 ? O VAL A 220 E 1 2 N LEU A 322 ? N LEU A 298 O TYR A 355 ? O TYR A 331 E 2 3 O TRP A 354 ? O TRP A 330 N TYR A 347 ? N TYR A 323 E 3 4 O ARG A 346 ? O ARG A 322 N ASP A 300 ? N ASP A 276 E 4 5 O LEU A 297 ? O LEU A 273 N PHE A 241 ? N PHE A 217 E 5 6 O GLU A 237 ? O GLU A 213 N GLU A 227 ? N GLU A 203 E 6 7 O ILE A 226 ? O ILE A 202 N HIS A 219 ? N HIS A 195 E 7 8 O VAL A 218 ? O VAL A 194 N ALA A 211 ? N ALA A 187 E 8 9 N ILE A 212 ? N ILE A 188 O ALA B 210 ? O ALA B 186 E 9 10 N SER B 209 ? N SER B 185 O ALA B 220 ? O ALA B 196 E 10 11 N ALA B 217 ? N ALA B 193 O SER B 228 ? O SER B 204 E 11 12 N GLU B 227 ? N GLU B 203 O GLU B 237 ? O GLU B 213 E 12 13 N PHE B 241 ? N PHE B 217 O LEU B 297 ? O LEU B 273 E 13 14 N ASP B 300 ? N ASP B 276 O ARG B 346 ? O ARG B 322 E 14 15 N TYR B 347 ? N TYR B 323 O TRP B 354 ? O TRP B 330 F 1 2 N THR A 308 ? N THR A 284 O TRP A 335 ? O TRP A 311 F 2 3 N CYS A 336 ? N CYS A 312 O ARG A 360 ? O ARG A 336 G 1 2 N LYS B 57 ? N LYS B 33 O THR B 189 ? O THR B 165 H 1 2 N THR B 111 ? N THR B 87 O PHE B 157 ? O PHE B 133 H 2 3 O LEU B 158 ? O LEU B 134 N ILE B 81 ? N ILE B 57 H 3 4 N GLY B 80 ? N GLY B 56 O ALA B 173 ? O ALA B 149 I 1 2 N MET B 121 ? N MET B 97 O VAL B 244 ? O VAL B 220 J 1 2 N GLU B 178 ? N GLU B 154 O LYS B 194 ? O LYS B 170 K 1 2 N THR B 308 ? N THR B 284 O TRP B 335 ? O TRP B 311 K 2 3 N CYS B 336 ? N CYS B 312 O ARG B 360 ? O ARG B 336 # 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 ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 401' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 401' # 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 2 ASN A 231 ? ASN A 207 . ? 1_555 ? 2 AC1 2 ASP A 232 ? ASP A 208 . ? 1_555 ? 3 AC2 1 ASN B 231 ? ASN B 207 . ? 1_555 ? # _atom_sites.entry_id 4O6B _atom_sites.fract_transf_matrix[1][1] 0.005686 _atom_sites.fract_transf_matrix[1][2] 0.003283 _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] 0.006565 _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] 0.012282 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C 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 . ALA A 1 24 ? -14.523 -16.148 -34.110 1.00 87.67 ? 0 ALA A N 1 ATOM 2 C CA . ALA A 1 24 ? -13.199 -16.571 -33.664 1.00 85.79 ? 0 ALA A CA 1 ATOM 3 C C . ALA A 1 24 ? -12.522 -15.503 -32.814 1.00 85.84 ? 0 ALA A C 1 ATOM 4 O O . ALA A 1 24 ? -12.959 -14.353 -32.769 1.00 87.84 ? 0 ALA A O 1 ATOM 5 C CB . ALA A 1 24 ? -12.325 -16.930 -34.851 1.00 85.95 ? 0 ALA A CB 1 ATOM 6 N N . ASP A 1 25 ? -11.445 -15.893 -32.145 1.00 84.12 ? 1 ASP A N 1 ATOM 7 C CA . ASP A 1 25 ? -10.702 -14.978 -31.294 1.00 83.80 ? 1 ASP A CA 1 ATOM 8 C C . ASP A 1 25 ? -9.415 -14.547 -31.978 1.00 83.89 ? 1 ASP A C 1 ATOM 9 O O . ASP A 1 25 ? -8.496 -15.347 -32.161 1.00 82.52 ? 1 ASP A O 1 ATOM 10 C CB . ASP A 1 25 ? -10.395 -15.642 -29.953 1.00 82.32 ? 1 ASP A CB 1 ATOM 11 C CG . ASP A 1 25 ? -11.648 -16.064 -29.214 1.00 81.94 ? 1 ASP A CG 1 ATOM 12 O OD1 . ASP A 1 25 ? -12.738 -16.026 -29.821 1.00 83.07 ? 1 ASP A OD1 1 ATOM 13 O OD2 . ASP A 1 25 ? -11.543 -16.441 -28.028 1.00 80.69 ? 1 ASP A OD2 1 ATOM 14 N N . SER A 1 26 ? -9.358 -13.280 -32.367 1.00 85.72 ? 2 SER A N 1 ATOM 15 C CA . SER A 1 26 ? -8.182 -12.753 -33.049 1.00 86.28 ? 2 SER A CA 1 ATOM 16 C C . SER A 1 26 ? -7.364 -11.883 -32.106 1.00 85.49 ? 2 SER A C 1 ATOM 17 O O . SER A 1 26 ? -7.909 -11.039 -31.397 1.00 86.87 ? 2 SER A O 1 ATOM 18 C CB . SER A 1 26 ? -8.590 -11.952 -34.287 1.00 88.81 ? 2 SER A CB 1 ATOM 19 O OG . SER A 1 26 ? -7.465 -11.644 -35.089 1.00 89.41 ? 2 SER A OG 1 ATOM 20 N N . GLY A 1 27 ? -6.054 -12.095 -32.096 1.00 83.54 ? 3 GLY A N 1 ATOM 21 C CA . GLY A 1 27 ? -5.189 -11.361 -31.198 1.00 64.64 ? 3 GLY A CA 1 ATOM 22 C C . GLY A 1 27 ? -3.725 -11.720 -31.318 1.00 75.61 ? 3 GLY A C 1 ATOM 23 O O . GLY A 1 27 ? -3.295 -12.337 -32.298 1.00 64.09 ? 3 GLY A O 1 ATOM 24 N N . CYS A 1 28 ? -2.960 -11.322 -30.305 1.00 76.27 ? 4 CYS A N 1 ATOM 25 C CA . CYS A 1 28 ? -1.517 -11.535 -30.285 1.00 76.93 ? 4 CYS A CA 1 ATOM 26 C C . CYS A 1 28 ? -1.024 -12.158 -28.978 1.00 76.77 ? 4 CYS A C 1 ATOM 27 O O . CYS A 1 28 ? -1.475 -11.803 -27.885 1.00 76.23 ? 4 CYS A O 1 ATOM 28 C CB . CYS A 1 28 ? -0.771 -10.227 -30.557 1.00 78.60 ? 4 CYS A CB 1 ATOM 29 S SG . CYS A 1 28 ? -0.806 -9.690 -32.281 1.00 160.73 ? 4 CYS A SG 1 ATOM 30 N N . VAL A 1 29 ? -0.095 -13.100 -29.114 1.00 77.29 ? 5 VAL A N 1 ATOM 31 C CA . VAL A 1 29 ? 0.459 -13.826 -27.976 1.00 77.07 ? 5 VAL A CA 1 ATOM 32 C C . VAL A 1 29 ? 1.979 -13.937 -28.131 1.00 78.04 ? 5 VAL A C 1 ATOM 33 O O . VAL A 1 29 ? 2.500 -13.974 -29.258 1.00 78.56 ? 5 VAL A O 1 ATOM 34 C CB . VAL A 1 29 ? -0.174 -15.241 -27.851 1.00 88.40 ? 5 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 29 ? 0.343 -15.973 -26.623 1.00 87.82 ? 5 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 29 ? -1.689 -15.154 -27.793 1.00 87.72 ? 5 VAL A CG2 1 ATOM 37 N N . VAL A 1 30 ? 2.684 -13.971 -27.000 1.00 78.45 ? 6 VAL A N 1 ATOM 38 C CA . VAL A 1 30 ? 4.136 -14.139 -26.987 1.00 79.94 ? 6 VAL A CA 1 ATOM 39 C C . VAL A 1 30 ? 4.574 -15.205 -25.978 1.00 79.28 ? 6 VAL A C 1 ATOM 40 O O . VAL A 1 30 ? 4.133 -15.207 -24.829 1.00 78.99 ? 6 VAL A O 1 ATOM 41 C CB . VAL A 1 30 ? 4.861 -12.801 -26.697 1.00 83.13 ? 6 VAL A CB 1 ATOM 42 C CG1 . VAL A 1 30 ? 4.162 -12.035 -25.582 1.00 83.95 ? 6 VAL A CG1 1 ATOM 43 C CG2 . VAL A 1 30 ? 6.328 -13.039 -26.365 1.00 84.49 ? 6 VAL A CG2 1 ATOM 44 N N . SER A 1 31 ? 5.437 -16.114 -26.420 1.00 78.84 ? 7 SER A N 1 ATOM 45 C CA . SER A 1 31 ? 5.940 -17.181 -25.562 1.00 78.17 ? 7 SER A CA 1 ATOM 46 C C . SER A 1 31 ? 7.225 -16.765 -24.857 1.00 79.64 ? 7 SER A C 1 ATOM 47 O O . SER A 1 31 ? 8.272 -17.387 -25.046 1.00 79.82 ? 7 SER A O 1 ATOM 48 C CB . SER A 1 31 ? 6.195 -18.443 -26.382 1.00 77.46 ? 7 SER A CB 1 ATOM 49 O OG . SER A 1 31 ? 7.095 -18.181 -27.445 1.00 78.54 ? 7 SER A OG 1 ATOM 50 N N . LYS A 1 35 ? 11.505 -17.577 -27.013 1.00 113.57 ? 11 LYS A N 1 ATOM 51 C CA . LYS A 1 35 ? 11.061 -16.193 -27.131 1.00 114.15 ? 11 LYS A CA 1 ATOM 52 C C . LYS A 1 35 ? 10.550 -15.903 -28.537 1.00 114.75 ? 11 LYS A C 1 ATOM 53 O O . LYS A 1 35 ? 11.229 -15.260 -29.337 1.00 116.22 ? 11 LYS A O 1 ATOM 54 C CB . LYS A 1 35 ? 12.197 -15.233 -26.777 1.00 115.44 ? 11 LYS A CB 1 ATOM 55 C CG . LYS A 1 35 ? 12.806 -15.458 -25.400 1.00 115.63 ? 11 LYS A CG 1 ATOM 56 C CD . LYS A 1 35 ? 13.998 -14.538 -25.187 1.00 117.39 ? 11 LYS A CD 1 ATOM 57 C CE . LYS A 1 35 ? 14.824 -14.943 -23.977 1.00 118.49 ? 11 LYS A CE 1 ATOM 58 N NZ . LYS A 1 35 ? 16.122 -14.209 -23.918 1.00 121.18 ? 11 LYS A NZ 1 ATOM 59 N N . GLU A 1 36 ? 9.346 -16.378 -28.832 1.00 113.75 ? 12 GLU A N 1 ATOM 60 C CA . GLU A 1 36 ? 8.766 -16.215 -30.157 1.00 114.09 ? 12 GLU A CA 1 ATOM 61 C C . GLU A 1 36 ? 7.469 -15.426 -30.064 1.00 113.71 ? 12 GLU A C 1 ATOM 62 O O . GLU A 1 36 ? 6.719 -15.573 -29.101 1.00 112.84 ? 12 GLU A O 1 ATOM 63 C CB . GLU A 1 36 ? 8.504 -17.584 -30.782 1.00 113.31 ? 12 GLU A CB 1 ATOM 64 C CG . GLU A 1 36 ? 7.951 -17.552 -32.201 1.00 113.71 ? 12 GLU A CG 1 ATOM 65 C CD . GLU A 1 36 ? 7.584 -18.936 -32.705 1.00 113.56 ? 12 GLU A CD 1 ATOM 66 O OE1 . GLU A 1 36 ? 7.746 -19.908 -31.938 1.00 113.12 ? 12 GLU A OE1 1 ATOM 67 O OE2 . GLU A 1 36 ? 7.135 -19.051 -33.866 1.00 114.08 ? 12 GLU A OE2 1 ATOM 68 N N . LEU A 1 37 ? 7.208 -14.588 -31.062 1.00 114.77 ? 13 LEU A N 1 ATOM 69 C CA . LEU A 1 37 ? 5.974 -13.804 -31.104 1.00 114.44 ? 13 LEU A CA 1 ATOM 70 C C . LEU A 1 37 ? 5.044 -14.290 -32.217 1.00 113.04 ? 13 LEU A C 1 ATOM 71 O O . LEU A 1 37 ? 5.497 -14.558 -33.330 1.00 113.80 ? 13 LEU A O 1 ATOM 72 C CB . LEU A 1 37 ? 6.286 -12.319 -31.310 1.00 117.26 ? 13 LEU A CB 1 ATOM 73 C CG . LEU A 1 37 ? 6.940 -11.521 -30.179 1.00 119.31 ? 13 LEU A CG 1 ATOM 74 C CD1 . LEU A 1 37 ? 8.441 -11.763 -30.116 1.00 120.92 ? 13 LEU A CD1 1 ATOM 75 C CD2 . LEU A 1 37 ? 6.643 -10.038 -30.338 1.00 120.96 ? 13 LEU A CD2 1 ATOM 76 N N . LYS A 1 38 ? 3.747 -14.401 -31.926 1.00 110.58 ? 14 LYS A N 1 ATOM 77 C CA . LYS A 1 38 ? 2.790 -14.813 -32.961 1.00 108.56 ? 14 LYS A CA 1 ATOM 78 C C . LYS A 1 38 ? 1.422 -14.139 -32.842 1.00 105.58 ? 14 LYS A C 1 ATOM 79 O O . LYS A 1 38 ? 0.950 -13.850 -31.741 1.00 104.79 ? 14 LYS A O 1 ATOM 80 C CB . LYS A 1 38 ? 2.628 -16.337 -32.999 1.00 108.25 ? 14 LYS A CB 1 ATOM 81 C CG . LYS A 1 38 ? 3.628 -17.060 -33.893 1.00 109.60 ? 14 LYS A CG 1 ATOM 82 C CD . LYS A 1 38 ? 3.051 -18.373 -34.409 1.00 109.72 ? 14 LYS A CD 1 ATOM 83 C CE . LYS A 1 38 ? 4.062 -19.143 -35.242 1.00 111.34 ? 14 LYS A CE 1 ATOM 84 N NZ . LYS A 1 38 ? 5.034 -19.904 -34.410 1.00 111.54 ? 14 LYS A NZ 1 ATOM 85 N N . CYS A 1 39 ? 0.790 -13.902 -33.988 1.00 103.68 ? 15 CYS A N 1 ATOM 86 C CA . CYS A 1 39 ? -0.491 -13.209 -34.034 1.00 100.85 ? 15 CYS A CA 1 ATOM 87 C C . CYS A 1 39 ? -1.410 -13.834 -35.062 1.00 97.04 ? 15 CYS A C 1 ATOM 88 O O . CYS A 1 39 ? -0.952 -14.454 -36.020 1.00 97.34 ? 15 CYS A O 1 ATOM 89 C CB . CYS A 1 39 ? -0.282 -11.739 -34.389 1.00 103.11 ? 15 CYS A CB 1 ATOM 90 S SG . CYS A 1 39 ? 0.638 -10.812 -33.158 1.00 67.24 ? 15 CYS A SG 1 ATOM 91 N N . GLY A 1 40 ? -2.711 -13.661 -34.868 1.00 93.10 ? 16 GLY A N 1 ATOM 92 C CA . GLY A 1 40 ? -3.667 -14.148 -35.839 1.00 90.08 ? 16 GLY A CA 1 ATOM 93 C C . GLY A 1 40 ? -4.996 -14.470 -35.204 1.00 86.08 ? 16 GLY A C 1 ATOM 94 O O . GLY A 1 40 ? -5.275 -14.057 -34.081 1.00 86.15 ? 16 GLY A O 1 ATOM 95 N N . SER A 1 41 ? -5.820 -15.211 -35.933 1.00 82.76 ? 17 SER A N 1 ATOM 96 C CA . SER A 1 41 ? -7.123 -15.613 -35.435 1.00 78.96 ? 17 SER A CA 1 ATOM 97 C C . SER A 1 41 ? -7.072 -17.069 -34.997 1.00 75.21 ? 17 SER A C 1 ATOM 98 O O . SER A 1 41 ? -6.210 -17.828 -35.440 1.00 61.95 ? 17 SER A O 1 ATOM 99 C CB . SER A 1 41 ? -8.178 -15.429 -36.523 1.00 80.67 ? 17 SER A CB 1 ATOM 100 O OG . SER A 1 41 ? -9.462 -15.793 -36.059 1.00 80.25 ? 17 SER A OG 1 ATOM 101 N N . GLY A 1 42 ? -7.989 -17.454 -34.117 1.00 71.72 ? 18 GLY A N 1 ATOM 102 C CA . GLY A 1 42 ? -8.054 -18.825 -33.652 1.00 67.68 ? 18 GLY A CA 1 ATOM 103 C C . GLY A 1 42 ? -8.754 -18.936 -32.317 1.00 64.15 ? 18 GLY A C 1 ATOM 104 O O . GLY A 1 42 ? -9.693 -18.195 -32.044 1.00 63.46 ? 18 GLY A O 1 ATOM 105 N N . ILE A 1 43 ? -8.296 -19.867 -31.485 1.00 62.20 ? 19 ILE A N 1 ATOM 106 C CA . ILE A 1 43 ? -8.862 -20.051 -30.151 1.00 61.01 ? 19 ILE A CA 1 ATOM 107 C C . ILE A 1 43 ? -7.763 -19.947 -29.093 1.00 60.15 ? 19 ILE A C 1 ATOM 108 O O . ILE A 1 43 ? -6.675 -20.497 -29.270 1.00 59.76 ? 19 ILE A O 1 ATOM 109 C CB . ILE A 1 43 ? -9.598 -21.408 -30.017 1.00 60.53 ? 19 ILE A CB 1 ATOM 110 C CG1 . ILE A 1 43 ? -10.652 -21.573 -31.113 1.00 61.91 ? 19 ILE A CG1 1 ATOM 111 C CG2 . ILE A 1 43 ? -10.259 -21.528 -28.657 1.00 59.37 ? 19 ILE A CG2 1 ATOM 112 C CD1 . ILE A 1 43 ? -11.809 -20.595 -31.006 1.00 62.95 ? 19 ILE A CD1 1 ATOM 113 N N . PHE A 1 44 ? -8.051 -19.239 -28.002 1.00 60.13 ? 20 PHE A N 1 ATOM 114 C CA . PHE A 1 44 ? -7.075 -19.035 -26.934 1.00 60.21 ? 20 PHE A CA 1 ATOM 115 C C . PHE A 1 44 ? -7.525 -19.639 -25.606 1.00 58.88 ? 20 PHE A C 1 ATOM 116 O O . PHE A 1 44 ? -8.555 -19.256 -25.057 1.00 58.40 ? 20 PHE A O 1 ATOM 117 C CB . PHE A 1 44 ? -6.785 -17.545 -26.752 1.00 62.51 ? 20 PHE A CB 1 ATOM 118 C CG . PHE A 1 44 ? -5.691 -17.263 -25.768 1.00 63.83 ? 20 PHE A CG 1 ATOM 119 C CD1 . PHE A 1 44 ? -4.471 -17.905 -25.877 1.00 64.36 ? 20 PHE A CD1 1 ATOM 120 C CD2 . PHE A 1 44 ? -5.879 -16.355 -24.738 1.00 65.14 ? 20 PHE A CD2 1 ATOM 121 C CE1 . PHE A 1 44 ? -3.456 -17.654 -24.974 1.00 65.34 ? 20 PHE A CE1 1 ATOM 122 C CE2 . PHE A 1 44 ? -4.866 -16.095 -23.830 1.00 66.13 ? 20 PHE A CE2 1 ATOM 123 C CZ . PHE A 1 44 ? -3.653 -16.746 -23.949 1.00 66.13 ? 20 PHE A CZ 1 ATOM 124 N N . ILE A 1 45 ? -6.733 -20.574 -25.091 1.00 58.46 ? 21 ILE A N 1 ATOM 125 C CA . ILE A 1 45 ? -7.062 -21.287 -23.859 1.00 57.79 ? 21 ILE A CA 1 ATOM 126 C C . ILE A 1 45 ? -6.274 -20.730 -22.679 1.00 59.71 ? 21 ILE A C 1 ATOM 127 O O . ILE A 1 45 ? -5.062 -20.879 -22.626 1.00 60.56 ? 21 ILE A O 1 ATOM 128 C CB . ILE A 1 45 ? -6.762 -22.796 -23.995 1.00 55.57 ? 21 ILE A CB 1 ATOM 129 C CG1 . ILE A 1 45 ? -7.459 -23.370 -25.231 1.00 54.94 ? 21 ILE A CG1 1 ATOM 130 C CG2 . ILE A 1 45 ? -7.170 -23.543 -22.736 1.00 54.22 ? 21 ILE A CG2 1 ATOM 131 C CD1 . ILE A 1 45 ? -8.946 -23.136 -25.256 1.00 54.63 ? 21 ILE A CD1 1 ATOM 132 N N . THR A 1 46 ? -6.967 -20.104 -21.730 1.00 60.77 ? 22 THR A N 1 ATOM 133 C CA . THR A 1 46 ? -6.298 -19.424 -20.621 1.00 61.98 ? 22 THR A CA 1 ATOM 134 C C . THR A 1 46 ? -6.157 -20.292 -19.371 1.00 62.15 ? 22 THR A C 1 ATOM 135 O O . THR A 1 46 ? -6.930 -21.223 -19.157 1.00 61.52 ? 22 THR A O 1 ATOM 136 C CB . THR A 1 46 ? -7.007 -18.103 -20.254 1.00 62.97 ? 22 THR A CB 1 ATOM 137 O OG1 . THR A 1 46 ? -8.287 -18.382 -19.678 1.00 62.44 ? 22 THR A OG1 1 ATOM 138 C CG2 . THR A 1 46 ? -7.196 -17.240 -21.484 1.00 63.61 ? 22 THR A CG2 1 ATOM 139 N N . ASP A 1 47 ? -5.152 -19.984 -18.558 1.00 63.57 ? 23 ASP A N 1 ATOM 140 C CA . ASP A 1 47 ? -4.979 -20.628 -17.262 1.00 64.58 ? 23 ASP A CA 1 ATOM 141 C C . ASP A 1 47 ? -5.478 -19.677 -16.186 1.00 68.50 ? 23 ASP A C 1 ATOM 142 O O . ASP A 1 47 ? -4.841 -18.665 -15.903 1.00 70.58 ? 23 ASP A O 1 ATOM 143 C CB . ASP A 1 47 ? -3.506 -20.973 -17.036 1.00 64.52 ? 23 ASP A CB 1 ATOM 144 C CG . ASP A 1 47 ? -3.202 -21.364 -15.603 1.00 65.76 ? 23 ASP A CG 1 ATOM 145 O OD1 . ASP A 1 47 ? -4.094 -21.877 -14.902 1.00 56.28 ? 23 ASP A OD1 1 ATOM 146 O OD2 . ASP A 1 47 ? -2.051 -21.163 -15.176 1.00 67.45 ? 23 ASP A OD2 1 ATOM 147 N N . ASN A 1 48 ? -6.625 -20.003 -15.598 1.00 69.86 ? 24 ASN A N 1 ATOM 148 C CA . ASN A 1 48 ? -7.224 -19.158 -14.574 1.00 73.57 ? 24 ASN A CA 1 ATOM 149 C C . ASN A 1 48 ? -7.001 -19.727 -13.180 1.00 77.83 ? 24 ASN A C 1 ATOM 150 O O . ASN A 1 48 ? -7.534 -19.219 -12.195 1.00 80.48 ? 24 ASN A O 1 ATOM 151 C CB . ASN A 1 48 ? -8.722 -18.992 -14.823 1.00 71.64 ? 24 ASN A CB 1 ATOM 152 C CG . ASN A 1 48 ? -9.052 -18.814 -16.287 1.00 68.76 ? 24 ASN A CG 1 ATOM 153 O OD1 . ASN A 1 48 ? -8.821 -17.753 -16.864 1.00 69.42 ? 24 ASN A OD1 1 ATOM 154 N ND2 . ASN A 1 48 ? -9.607 -19.853 -16.895 1.00 65.82 ? 24 ASN A ND2 1 ATOM 155 N N . VAL A 1 49 ? -6.205 -20.785 -13.110 1.00 79.47 ? 25 VAL A N 1 ATOM 156 C CA . VAL A 1 49 ? -5.911 -21.439 -11.846 1.00 83.56 ? 25 VAL A CA 1 ATOM 157 C C . VAL A 1 49 ? -4.719 -20.785 -11.146 1.00 89.65 ? 25 VAL A C 1 ATOM 158 O O . VAL A 1 49 ? -4.774 -20.484 -9.955 1.00 91.88 ? 25 VAL A O 1 ATOM 159 C CB . VAL A 1 49 ? -5.654 -22.945 -12.059 1.00 81.68 ? 25 VAL A CB 1 ATOM 160 C CG1 . VAL A 1 49 ? -5.209 -23.614 -10.773 1.00 83.17 ? 25 VAL A CG1 1 ATOM 161 C CG2 . VAL A 1 49 ? -6.901 -23.613 -12.599 1.00 79.65 ? 25 VAL A CG2 1 ATOM 162 N N . HIS A 1 50 ? -3.649 -20.549 -11.896 1.00 93.17 ? 26 HIS A N 1 ATOM 163 C CA . HIS A 1 50 ? -2.423 -20.012 -11.316 1.00 99.90 ? 26 HIS A CA 1 ATOM 164 C C . HIS A 1 50 ? -2.495 -18.511 -11.042 1.00 109.78 ? 26 HIS A C 1 ATOM 165 O O . HIS A 1 50 ? -1.675 -17.969 -10.299 1.00 112.69 ? 26 HIS A O 1 ATOM 166 C CB . HIS A 1 50 ? -1.221 -20.332 -12.208 1.00 95.63 ? 26 HIS A CB 1 ATOM 167 C CG . HIS A 1 50 ? -0.955 -21.797 -12.357 1.00 90.73 ? 26 HIS A CG 1 ATOM 168 N ND1 . HIS A 1 50 ? 0.116 -22.290 -13.072 1.00 88.77 ? 26 HIS A ND1 1 ATOM 169 C CD2 . HIS A 1 50 ? -1.620 -22.877 -11.882 1.00 88.19 ? 26 HIS A CD2 1 ATOM 170 C CE1 . HIS A 1 50 ? 0.099 -23.609 -13.032 1.00 86.88 ? 26 HIS A CE1 1 ATOM 171 N NE2 . HIS A 1 50 ? -0.945 -23.991 -12.317 1.00 86.53 ? 26 HIS A NE2 1 ATOM 172 N N . THR A 1 51 ? -3.474 -17.843 -11.640 1.00 116.50 ? 27 THR A N 1 ATOM 173 C CA . THR A 1 51 ? -3.649 -16.414 -11.422 1.00 126.94 ? 27 THR A CA 1 ATOM 174 C C . THR A 1 51 ? -4.081 -16.125 -9.987 1.00 136.85 ? 27 THR A C 1 ATOM 175 O O . THR A 1 51 ? -5.132 -16.589 -9.541 1.00 137.75 ? 27 THR A O 1 ATOM 176 C CB . THR A 1 51 ? -4.674 -15.821 -12.396 1.00 126.34 ? 27 THR A CB 1 ATOM 177 O OG1 . THR A 1 51 ? -5.977 -16.336 -12.095 1.00 125.45 ? 27 THR A OG1 1 ATOM 178 C CG2 . THR A 1 51 ? -4.310 -16.184 -13.822 1.00 123.67 ? 27 THR A CG2 1 ATOM 179 N N . TRP A 1 52 ? -3.257 -15.359 -9.273 1.00 145.92 ? 28 TRP A N 1 ATOM 180 C CA . TRP A 1 52 ? -3.543 -14.975 -7.890 1.00 155.40 ? 28 TRP A CA 1 ATOM 181 C C . TRP A 1 52 ? -4.866 -14.227 -7.776 1.00 158.06 ? 28 TRP A C 1 ATOM 182 O O . TRP A 1 52 ? -5.524 -14.253 -6.735 1.00 161.35 ? 28 TRP A O 1 ATOM 183 C CB . TRP A 1 52 ? -2.408 -14.112 -7.325 1.00 163.50 ? 28 TRP A CB 1 ATOM 184 C CG . TRP A 1 52 ? -1.258 -14.904 -6.777 1.00 167.67 ? 28 TRP A CG 1 ATOM 185 C CD1 . TRP A 1 52 ? -1.007 -15.183 -5.464 1.00 172.16 ? 28 TRP A CD1 1 ATOM 186 C CD2 . TRP A 1 52 ? -0.206 -15.522 -7.526 1.00 167.44 ? 28 TRP A CD2 1 ATOM 187 N NE1 . TRP A 1 52 ? 0.136 -15.936 -5.350 1.00 173.18 ? 28 TRP A NE1 1 ATOM 188 C CE2 . TRP A 1 52 ? 0.648 -16.158 -6.602 1.00 170.34 ? 28 TRP A CE2 1 ATOM 189 C CE3 . TRP A 1 52 ? 0.098 -15.599 -8.888 1.00 165.26 ? 28 TRP A CE3 1 ATOM 190 C CZ2 . TRP A 1 52 ? 1.784 -16.862 -6.998 1.00 170.35 ? 28 TRP A CZ2 1 ATOM 191 C CZ3 . TRP A 1 52 ? 1.227 -16.299 -9.278 1.00 164.89 ? 28 TRP A CZ3 1 ATOM 192 C CH2 . TRP A 1 52 ? 2.055 -16.921 -8.337 1.00 167.37 ? 28 TRP A CH2 1 ATOM 193 N N . THR A 1 53 ? -5.247 -13.562 -8.860 1.00 151.15 ? 29 THR A N 1 ATOM 194 C CA . THR A 1 53 ? -6.497 -12.822 -8.910 1.00 148.57 ? 29 THR A CA 1 ATOM 195 C C . THR A 1 53 ? -7.664 -13.732 -9.273 1.00 143.61 ? 29 THR A C 1 ATOM 196 O O . THR A 1 53 ? -7.508 -14.690 -10.032 1.00 140.30 ? 29 THR A O 1 ATOM 197 C CB . THR A 1 53 ? -6.414 -11.676 -9.929 1.00 147.61 ? 29 THR A CB 1 ATOM 198 O OG1 . THR A 1 53 ? -6.078 -12.206 -11.218 1.00 143.45 ? 29 THR A OG1 1 ATOM 199 C CG2 . THR A 1 53 ? -5.350 -10.675 -9.510 1.00 150.69 ? 29 THR A CG2 1 ATOM 200 N N . GLU A 1 54 ? -8.830 -13.427 -8.714 1.00 143.76 ? 30 GLU A N 1 ATOM 201 C CA . GLU A 1 54 ? -10.048 -14.163 -9.019 1.00 139.75 ? 30 GLU A CA 1 ATOM 202 C C . GLU A 1 54 ? -10.839 -13.430 -10.095 1.00 136.24 ? 30 GLU A C 1 ATOM 203 O O . GLU A 1 54 ? -11.590 -12.500 -9.802 1.00 138.76 ? 30 GLU A O 1 ATOM 204 C CB . GLU A 1 54 ? -10.894 -14.345 -7.759 1.00 143.43 ? 30 GLU A CB 1 ATOM 205 C CG . GLU A 1 54 ? -10.233 -15.222 -6.711 1.00 144.76 ? 30 GLU A CG 1 ATOM 206 C CD . GLU A 1 54 ? -9.961 -16.620 -7.221 1.00 141.29 ? 30 GLU A CD 1 ATOM 207 O OE1 . GLU A 1 54 ? -8.857 -17.145 -6.967 1.00 141.08 ? 30 GLU A OE1 1 ATOM 208 O OE2 . GLU A 1 54 ? -10.855 -17.195 -7.876 1.00 138.83 ? 30 GLU A OE2 1 ATOM 209 N N . GLN A 1 55 ? -10.661 -13.862 -11.341 1.00 130.20 ? 31 GLN A N 1 ATOM 210 C CA . GLN A 1 55 ? -11.247 -13.183 -12.493 1.00 127.09 ? 31 GLN A CA 1 ATOM 211 C C . GLN A 1 55 ? -12.729 -13.505 -12.682 1.00 124.84 ? 31 GLN A C 1 ATOM 212 O O . GLN A 1 55 ? -13.474 -12.702 -13.246 1.00 126.22 ? 31 GLN A O 1 ATOM 213 C CB . GLN A 1 55 ? -10.485 -13.547 -13.772 1.00 123.24 ? 31 GLN A CB 1 ATOM 214 C CG . GLN A 1 55 ? -8.969 -13.466 -13.662 1.00 122.89 ? 31 GLN A CG 1 ATOM 215 C CD . GLN A 1 55 ? -8.452 -12.044 -13.605 1.00 125.56 ? 31 GLN A CD 1 ATOM 216 O OE1 . GLN A 1 55 ? -7.341 -11.798 -13.137 1.00 126.91 ? 31 GLN A OE1 1 ATOM 217 N NE2 . GLN A 1 55 ? -9.249 -11.100 -14.091 1.00 126.71 ? 31 GLN A NE2 1 ATOM 218 N N . TYR A 1 56 ? -13.152 -14.677 -12.218 1.00 121.11 ? 32 TYR A N 1 ATOM 219 C CA . TYR A 1 56 ? -14.514 -15.142 -12.468 1.00 117.71 ? 32 TYR A CA 1 ATOM 220 C C . TYR A 1 56 ? -15.338 -15.319 -11.199 1.00 117.03 ? 32 TYR A C 1 ATOM 221 O O . TYR A 1 56 ? -14.825 -15.747 -10.166 1.00 117.87 ? 32 TYR A O 1 ATOM 222 C CB . TYR A 1 56 ? -14.491 -16.459 -13.242 1.00 114.14 ? 32 TYR A CB 1 ATOM 223 C CG . TYR A 1 56 ? -13.810 -16.371 -14.587 1.00 112.39 ? 32 TYR A CG 1 ATOM 224 C CD1 . TYR A 1 56 ? -14.540 -16.125 -15.739 1.00 111.77 ? 32 TYR A CD1 1 ATOM 225 C CD2 . TYR A 1 56 ? -12.437 -16.534 -14.704 1.00 111.46 ? 32 TYR A CD2 1 ATOM 226 C CE1 . TYR A 1 56 ? -13.924 -16.044 -16.971 1.00 110.31 ? 32 TYR A CE1 1 ATOM 227 C CE2 . TYR A 1 56 ? -11.812 -16.454 -15.932 1.00 110.00 ? 32 TYR A CE2 1 ATOM 228 C CZ . TYR A 1 56 ? -12.560 -16.208 -17.062 1.00 109.30 ? 32 TYR A CZ 1 ATOM 229 O OH . TYR A 1 56 ? -11.944 -16.126 -18.288 1.00 108.03 ? 32 TYR A OH 1 ATOM 230 N N . LYS A 1 57 ? -16.622 -14.986 -11.294 1.00 115.60 ? 33 LYS A N 1 ATOM 231 C CA . LYS A 1 57 ? -17.572 -15.205 -10.208 1.00 115.49 ? 33 LYS A CA 1 ATOM 232 C C . LYS A 1 57 ? -18.853 -15.802 -10.776 1.00 113.21 ? 33 LYS A C 1 ATOM 233 O O . LYS A 1 57 ? -19.166 -15.598 -11.948 1.00 111.71 ? 33 LYS A O 1 ATOM 234 C CB . LYS A 1 57 ? -17.885 -13.894 -9.484 1.00 119.37 ? 33 LYS A CB 1 ATOM 235 C CG . LYS A 1 57 ? -16.686 -13.237 -8.822 1.00 121.02 ? 33 LYS A CG 1 ATOM 236 C CD . LYS A 1 57 ? -17.087 -11.979 -8.067 1.00 125.49 ? 33 LYS A CD 1 ATOM 237 C CE . LYS A 1 57 ? -15.871 -11.302 -7.455 1.00 127.23 ? 33 LYS A CE 1 ATOM 238 N NZ . LYS A 1 57 ? -16.233 -10.065 -6.710 1.00 132.10 ? 33 LYS A NZ 1 ATOM 239 N N . PHE A 1 58 ? -19.592 -16.538 -9.951 1.00 96.98 ? 34 PHE A N 1 ATOM 240 C CA . PHE A 1 58 ? -20.836 -17.162 -10.398 1.00 95.46 ? 34 PHE A CA 1 ATOM 241 C C . PHE A 1 58 ? -22.063 -16.323 -10.029 1.00 97.53 ? 34 PHE A C 1 ATOM 242 O O . PHE A 1 58 ? -22.155 -15.808 -8.913 1.00 97.65 ? 34 PHE A O 1 ATOM 243 C CB . PHE A 1 58 ? -20.970 -18.577 -9.821 1.00 90.93 ? 34 PHE A CB 1 ATOM 244 C CG . PHE A 1 58 ? -20.160 -19.619 -10.553 1.00 88.98 ? 34 PHE A CG 1 ATOM 245 C CD1 . PHE A 1 58 ? -19.390 -19.277 -11.653 1.00 90.58 ? 34 PHE A CD1 1 ATOM 246 C CD2 . PHE A 1 58 ? -20.183 -20.946 -10.145 1.00 86.08 ? 34 PHE A CD2 1 ATOM 247 C CE1 . PHE A 1 58 ? -18.651 -20.235 -12.326 1.00 90.11 ? 34 PHE A CE1 1 ATOM 248 C CE2 . PHE A 1 58 ? -19.447 -21.907 -10.816 1.00 85.53 ? 34 PHE A CE2 1 ATOM 249 C CZ . PHE A 1 58 ? -18.681 -21.549 -11.907 1.00 87.61 ? 34 PHE A CZ 1 ATOM 250 N N . GLN A 1 59 ? -22.997 -16.184 -10.970 1.00 99.76 ? 35 GLN A N 1 ATOM 251 C CA . GLN A 1 59 ? -24.243 -15.459 -10.715 1.00 102.23 ? 35 GLN A CA 1 ATOM 252 C C . GLN A 1 59 ? -25.485 -16.211 -11.199 1.00 103.13 ? 35 GLN A C 1 ATOM 253 O O . GLN A 1 59 ? -25.466 -16.857 -12.252 1.00 103.31 ? 35 GLN A O 1 ATOM 254 C CB . GLN A 1 59 ? -24.206 -14.059 -11.338 1.00 105.64 ? 35 GLN A CB 1 ATOM 255 C CG . GLN A 1 59 ? -23.686 -12.971 -10.410 1.00 106.59 ? 35 GLN A CG 1 ATOM 256 C CD . GLN A 1 59 ? -22.176 -12.935 -10.339 1.00 105.83 ? 35 GLN A CD 1 ATOM 257 O OE1 . GLN A 1 59 ? -21.492 -13.227 -11.317 1.00 106.25 ? 35 GLN A OE1 1 ATOM 258 N NE2 . GLN A 1 59 ? -21.646 -12.574 -9.178 1.00 105.53 ? 35 GLN A NE2 1 ATOM 259 N N . PRO A 1 60 ? -26.575 -16.127 -10.420 1.00 104.61 ? 36 PRO A N 1 ATOM 260 C CA . PRO A 1 60 ? -27.866 -16.724 -10.774 1.00 105.76 ? 36 PRO A CA 1 ATOM 261 C C . PRO A 1 60 ? -28.659 -15.807 -11.694 1.00 110.72 ? 36 PRO A C 1 ATOM 262 O O . PRO A 1 60 ? -28.368 -14.617 -11.750 1.00 113.40 ? 36 PRO A O 1 ATOM 263 C CB . PRO A 1 60 ? -28.572 -16.813 -9.424 1.00 105.48 ? 36 PRO A CB 1 ATOM 264 C CG . PRO A 1 60 ? -28.056 -15.631 -8.680 1.00 106.70 ? 36 PRO A CG 1 ATOM 265 C CD . PRO A 1 60 ? -26.607 -15.507 -9.083 1.00 105.16 ? 36 PRO A CD 1 ATOM 266 N N . GLU A 1 61 ? -29.641 -16.356 -12.402 1.00 112.29 ? 37 GLU A N 1 ATOM 267 C CA . GLU A 1 61 ? -30.534 -15.556 -13.232 1.00 117.37 ? 37 GLU A CA 1 ATOM 268 C C . GLU A 1 61 ? -31.832 -15.312 -12.481 1.00 119.92 ? 37 GLU A C 1 ATOM 269 O O . GLU A 1 61 ? -32.486 -14.280 -12.647 1.00 125.35 ? 37 GLU A O 1 ATOM 270 C CB . GLU A 1 61 ? -30.822 -16.273 -14.548 1.00 118.20 ? 37 GLU A CB 1 ATOM 271 C CG . GLU A 1 61 ? -29.627 -16.377 -15.473 1.00 117.08 ? 37 GLU A CG 1 ATOM 272 C CD . GLU A 1 61 ? -29.941 -17.183 -16.708 1.00 118.03 ? 37 GLU A CD 1 ATOM 273 O OE1 . GLU A 1 61 ? -30.875 -18.007 -16.649 1.00 117.90 ? 37 GLU A OE1 1 ATOM 274 O OE2 . GLU A 1 61 ? -29.267 -16.991 -17.737 1.00 119.47 ? 37 GLU A OE2 1 ATOM 275 N N . SER A 1 62 ? -32.194 -16.275 -11.643 1.00 116.30 ? 38 SER A N 1 ATOM 276 C CA . SER A 1 62 ? -33.416 -16.177 -10.866 1.00 117.45 ? 38 SER A CA 1 ATOM 277 C C . SER A 1 62 ? -33.243 -16.815 -9.500 1.00 112.18 ? 38 SER A C 1 ATOM 278 O O . SER A 1 62 ? -33.484 -18.010 -9.331 1.00 110.60 ? 38 SER A O 1 ATOM 279 C CB . SER A 1 62 ? -34.574 -16.838 -11.607 1.00 121.04 ? 38 SER A CB 1 ATOM 280 O OG . SER A 1 62 ? -35.776 -16.698 -10.876 1.00 124.76 ? 38 SER A OG 1 ATOM 281 N N . PRO A 1 63 ? -32.819 -16.011 -8.516 1.00 109.16 ? 39 PRO A N 1 ATOM 282 C CA . PRO A 1 63 ? -32.713 -16.457 -7.125 1.00 105.95 ? 39 PRO A CA 1 ATOM 283 C C . PRO A 1 63 ? -34.084 -16.873 -6.603 1.00 107.82 ? 39 PRO A C 1 ATOM 284 O O . PRO A 1 63 ? -34.182 -17.659 -5.661 1.00 106.96 ? 39 PRO A O 1 ATOM 285 C CB . PRO A 1 63 ? -32.229 -15.202 -6.395 1.00 107.15 ? 39 PRO A CB 1 ATOM 286 C CG . PRO A 1 63 ? -31.560 -14.381 -7.446 1.00 107.92 ? 39 PRO A CG 1 ATOM 287 C CD . PRO A 1 63 ? -32.345 -14.627 -8.693 1.00 110.52 ? 39 PRO A CD 1 ATOM 288 N N . SER A 1 64 ? -35.131 -16.339 -7.224 1.00 111.21 ? 40 SER A N 1 ATOM 289 C CA . SER A 1 64 ? -36.499 -16.713 -6.898 1.00 113.84 ? 40 SER A CA 1 ATOM 290 C C . SER A 1 64 ? -36.794 -18.148 -7.332 1.00 110.77 ? 40 SER A C 1 ATOM 291 O O . SER A 1 64 ? -37.292 -18.949 -6.542 1.00 111.26 ? 40 SER A O 1 ATOM 292 C CB . SER A 1 64 ? -37.476 -15.749 -7.568 1.00 120.06 ? 40 SER A CB 1 ATOM 293 O OG . SER A 1 64 ? -37.205 -15.641 -8.953 1.00 120.21 ? 40 SER A OG 1 ATOM 294 N N . LYS A 1 65 ? -36.486 -18.462 -8.589 1.00 107.83 ? 41 LYS A N 1 ATOM 295 C CA . LYS A 1 65 ? -36.668 -19.814 -9.113 1.00 104.42 ? 41 LYS A CA 1 ATOM 296 C C . LYS A 1 65 ? -35.830 -20.799 -8.326 1.00 98.57 ? 41 LYS A C 1 ATOM 297 O O . LYS A 1 65 ? -36.257 -21.918 -8.054 1.00 98.45 ? 41 LYS A O 1 ATOM 298 C CB . LYS A 1 65 ? -36.272 -19.889 -10.589 1.00 103.06 ? 41 LYS A CB 1 ATOM 299 C CG . LYS A 1 65 ? -37.359 -19.455 -11.554 1.00 107.99 ? 41 LYS A CG 1 ATOM 300 C CD . LYS A 1 65 ? -36.984 -19.781 -12.992 1.00 107.10 ? 41 LYS A CD 1 ATOM 301 C CE . LYS A 1 65 ? -38.103 -19.406 -13.948 1.00 113.01 ? 41 LYS A CE 1 ATOM 302 N NZ . LYS A 1 65 ? -38.465 -17.967 -13.830 1.00 117.04 ? 41 LYS A NZ 1 ATOM 303 N N . LEU A 1 66 ? -34.628 -20.368 -7.972 1.00 94.48 ? 42 LEU A N 1 ATOM 304 C CA . LEU A 1 66 ? -33.716 -21.177 -7.183 1.00 89.58 ? 42 LEU A CA 1 ATOM 305 C C . LEU A 1 66 ? -34.338 -21.498 -5.836 1.00 89.57 ? 42 LEU A C 1 ATOM 306 O O . LEU A 1 66 ? -34.406 -22.658 -5.428 1.00 88.21 ? 42 LEU A O 1 ATOM 307 C CB . LEU A 1 66 ? -32.412 -20.417 -6.980 1.00 87.89 ? 42 LEU A CB 1 ATOM 308 C CG . LEU A 1 66 ? -31.316 -21.158 -6.228 1.00 84.75 ? 42 LEU A CG 1 ATOM 309 C CD1 . LEU A 1 66 ? -31.071 -22.505 -6.877 1.00 82.78 ? 42 LEU A CD1 1 ATOM 310 C CD2 . LEU A 1 66 ? -30.050 -20.324 -6.222 1.00 83.59 ? 42 LEU A CD2 1 ATOM 311 N N . ALA A 1 67 ? -34.793 -20.451 -5.157 1.00 91.46 ? 43 ALA A N 1 ATOM 312 C CA . ALA A 1 67 ? -35.448 -20.589 -3.866 1.00 92.83 ? 43 ALA A CA 1 ATOM 313 C C . ALA A 1 67 ? -36.621 -21.553 -3.953 1.00 95.34 ? 43 ALA A C 1 ATOM 314 O O . ALA A 1 67 ? -36.783 -22.418 -3.098 1.00 95.60 ? 43 ALA A O 1 ATOM 315 C CB . ALA A 1 67 ? -35.913 -19.237 -3.370 1.00 96.32 ? 43 ALA A CB 1 ATOM 316 N N . SER A 1 68 ? -37.431 -21.398 -4.996 1.00 97.85 ? 44 SER A N 1 ATOM 317 C CA . SER A 1 68 ? -38.595 -22.250 -5.207 1.00 101.10 ? 44 SER A CA 1 ATOM 318 C C . SER A 1 68 ? -38.178 -23.698 -5.421 1.00 98.39 ? 44 SER A C 1 ATOM 319 O O . SER A 1 68 ? -38.871 -24.631 -5.005 1.00 100.34 ? 44 SER A O 1 ATOM 320 C CB . SER A 1 68 ? -39.393 -21.758 -6.414 1.00 104.60 ? 44 SER A CB 1 ATOM 321 O OG . SER A 1 68 ? -39.754 -20.398 -6.261 1.00 108.11 ? 44 SER A OG 1 ATOM 322 N N . ALA A 1 69 ? -37.035 -23.874 -6.073 1.00 94.39 ? 45 ALA A N 1 ATOM 323 C CA . ALA A 1 69 ? -36.501 -25.199 -6.335 1.00 91.84 ? 45 ALA A CA 1 ATOM 324 C C . ALA A 1 69 ? -36.006 -25.825 -5.042 1.00 90.51 ? 45 ALA A C 1 ATOM 325 O O . ALA A 1 69 ? -36.031 -27.042 -4.887 1.00 90.06 ? 45 ALA A O 1 ATOM 326 C CB . ALA A 1 69 ? -35.384 -25.126 -7.351 1.00 88.40 ? 45 ALA A CB 1 ATOM 327 N N . ILE A 1 70 ? -35.550 -24.987 -4.116 1.00 90.51 ? 46 ILE A N 1 ATOM 328 C CA . ILE A 1 70 ? -35.113 -25.473 -2.816 1.00 90.33 ? 46 ILE A CA 1 ATOM 329 C C . ILE A 1 70 ? -36.322 -25.828 -1.952 1.00 96.30 ? 46 ILE A C 1 ATOM 330 O O . ILE A 1 70 ? -36.284 -26.793 -1.189 1.00 96.92 ? 46 ILE A O 1 ATOM 331 C CB . ILE A 1 70 ? -34.232 -24.446 -2.088 1.00 88.48 ? 46 ILE A CB 1 ATOM 332 C CG1 . ILE A 1 70 ? -33.052 -24.039 -2.962 1.00 84.18 ? 46 ILE A CG1 1 ATOM 333 C CG2 . ILE A 1 70 ? -33.710 -25.018 -0.789 1.00 88.15 ? 46 ILE A CG2 1 ATOM 334 C CD1 . ILE A 1 70 ? -32.072 -23.140 -2.255 1.00 83.06 ? 46 ILE A CD1 1 ATOM 335 N N . GLN A 1 71 ? -37.391 -25.044 -2.077 1.00 101.23 ? 47 GLN A N 1 ATOM 336 C CA . GLN A 1 71 ? -38.647 -25.338 -1.396 1.00 107.55 ? 47 GLN A CA 1 ATOM 337 C C . GLN A 1 71 ? -39.155 -26.687 -1.869 1.00 109.58 ? 47 GLN A C 1 ATOM 338 O O . GLN A 1 71 ? -39.615 -27.504 -1.076 1.00 111.86 ? 47 GLN A O 1 ATOM 339 C CB . GLN A 1 71 ? -39.699 -24.274 -1.715 1.00 111.92 ? 47 GLN A CB 1 ATOM 340 C CG . GLN A 1 71 ? -39.351 -22.868 -1.263 1.00 112.14 ? 47 GLN A CG 1 ATOM 341 C CD . GLN A 1 71 ? -40.315 -21.828 -1.809 1.00 116.70 ? 47 GLN A CD 1 ATOM 342 O OE1 . GLN A 1 71 ? -40.191 -20.637 -1.522 1.00 118.00 ? 47 GLN A OE1 1 ATOM 343 N NE2 . GLN A 1 71 ? -41.280 -22.276 -2.603 1.00 119.66 ? 47 GLN A NE2 1 ATOM 344 N N . LYS A 1 72 ? -39.065 -26.902 -3.176 1.00 109.62 ? 48 LYS A N 1 ATOM 345 C CA . LYS A 1 72 ? -39.485 -28.152 -3.790 1.00 112.13 ? 48 LYS A CA 1 ATOM 346 C C . LYS A 1 72 ? -38.607 -29.300 -3.306 1.00 110.22 ? 48 LYS A C 1 ATOM 347 O O . LYS A 1 72 ? -39.101 -30.374 -2.972 1.00 112.40 ? 48 LYS A O 1 ATOM 348 C CB . LYS A 1 72 ? -39.404 -28.029 -5.313 1.00 111.61 ? 48 LYS A CB 1 ATOM 349 C CG . LYS A 1 72 ? -39.972 -29.208 -6.081 1.00 114.00 ? 48 LYS A CG 1 ATOM 350 C CD . LYS A 1 72 ? -39.903 -28.956 -7.581 1.00 114.12 ? 48 LYS A CD 1 ATOM 351 C CE . LYS A 1 72 ? -40.666 -30.013 -8.358 1.00 117.61 ? 48 LYS A CE 1 ATOM 352 N NZ . LYS A 1 72 ? -40.586 -29.785 -9.826 1.00 117.91 ? 48 LYS A NZ 1 ATOM 353 N N . ALA A 1 73 ? -37.302 -29.054 -3.261 1.00 106.77 ? 49 ALA A N 1 ATOM 354 C CA . ALA A 1 73 ? -36.329 -30.050 -2.825 1.00 105.41 ? 49 ALA A CA 1 ATOM 355 C C . ALA A 1 73 ? -36.590 -30.503 -1.393 1.00 109.89 ? 49 ALA A C 1 ATOM 356 O O . ALA A 1 73 ? -36.583 -31.696 -1.098 1.00 110.89 ? 49 ALA A O 1 ATOM 357 C CB . ALA A 1 73 ? -34.924 -29.497 -2.955 1.00 100.58 ? 49 ALA A CB 1 ATOM 358 N N . HIS A 1 74 ? -36.810 -29.540 -0.507 1.00 113.49 ? 50 HIS A N 1 ATOM 359 C CA . HIS A 1 74 ? -37.148 -29.837 0.876 1.00 118.38 ? 50 HIS A CA 1 ATOM 360 C C . HIS A 1 74 ? -38.489 -30.558 0.921 1.00 123.74 ? 50 HIS A C 1 ATOM 361 O O . HIS A 1 74 ? -38.696 -31.457 1.734 1.00 126.39 ? 50 HIS A O 1 ATOM 362 C CB . HIS A 1 74 ? -37.208 -28.546 1.692 1.00 121.78 ? 50 HIS A CB 1 ATOM 363 C CG . HIS A 1 74 ? -37.351 -28.765 3.165 1.00 126.84 ? 50 HIS A CG 1 ATOM 364 N ND1 . HIS A 1 74 ? -36.911 -29.912 3.794 1.00 127.72 ? 50 HIS A ND1 1 ATOM 365 C CD2 . HIS A 1 74 ? -37.883 -27.986 4.135 1.00 131.98 ? 50 HIS A CD2 1 ATOM 366 C CE1 . HIS A 1 74 ? -37.167 -29.827 5.086 1.00 132.31 ? 50 HIS A CE1 1 ATOM 367 N NE2 . HIS A 1 74 ? -37.758 -28.668 5.320 1.00 134.94 ? 50 HIS A NE2 1 ATOM 368 N N . GLU A 1 75 ? -39.395 -30.160 0.032 1.00 125.62 ? 51 GLU A N 1 ATOM 369 C CA . GLU A 1 75 ? -40.687 -30.824 -0.106 1.00 131.13 ? 51 GLU A CA 1 ATOM 370 C C . GLU A 1 75 ? -40.493 -32.217 -0.702 1.00 129.02 ? 51 GLU A C 1 ATOM 371 O O . GLU A 1 75 ? -41.251 -33.141 -0.404 1.00 133.62 ? 51 GLU A O 1 ATOM 372 C CB . GLU A 1 75 ? -41.631 -29.983 -0.975 1.00 134.51 ? 51 GLU A CB 1 ATOM 373 C CG . GLU A 1 75 ? -43.023 -30.573 -1.182 1.00 141.62 ? 51 GLU A CG 1 ATOM 374 C CD . GLU A 1 75 ? -43.115 -31.456 -2.414 1.00 141.34 ? 51 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 75 ? -42.889 -30.950 -3.533 1.00 139.21 ? 51 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 75 ? -43.415 -32.658 -2.261 1.00 143.86 ? 51 GLU A OE2 1 ATOM 377 N N . GLU A 1 76 ? -39.468 -32.359 -1.539 1.00 122.48 ? 52 GLU A N 1 ATOM 378 C CA . GLU A 1 76 ? -39.120 -33.656 -2.112 1.00 119.54 ? 52 GLU A CA 1 ATOM 379 C C . GLU A 1 76 ? -38.178 -34.432 -1.191 1.00 115.37 ? 52 GLU A C 1 ATOM 380 O O . GLU A 1 76 ? -37.650 -35.475 -1.570 1.00 113.43 ? 52 GLU A O 1 ATOM 381 C CB . GLU A 1 76 ? -38.500 -33.491 -3.506 1.00 116.50 ? 52 GLU A CB 1 ATOM 382 C CG . GLU A 1 76 ? -39.493 -33.058 -4.582 1.00 119.81 ? 52 GLU A CG 1 ATOM 383 C CD . GLU A 1 76 ? -38.836 -32.764 -5.921 1.00 116.76 ? 52 GLU A CD 1 ATOM 384 O OE1 . GLU A 1 76 ? -37.593 -32.654 -5.975 1.00 112.14 ? 52 GLU A OE1 1 ATOM 385 O OE2 . GLU A 1 76 ? -39.568 -32.641 -6.924 1.00 119.40 ? 52 GLU A OE2 1 ATOM 386 N N . GLY A 1 77 ? -37.973 -33.913 0.018 1.00 114.02 ? 53 GLY A N 1 ATOM 387 C CA . GLY A 1 77 ? -37.171 -34.592 1.021 1.00 111.55 ? 53 GLY A CA 1 ATOM 388 C C . GLY A 1 77 ? -35.675 -34.436 0.835 1.00 104.27 ? 53 GLY A C 1 ATOM 389 O O . GLY A 1 77 ? -34.971 -35.404 0.551 1.00 102.66 ? 53 GLY A O 1 ATOM 390 N N . ILE A 1 78 ? -35.183 -33.214 1.005 1.00 100.22 ? 54 ILE A N 1 ATOM 391 C CA . ILE A 1 78 ? -33.762 -32.945 0.823 1.00 94.28 ? 54 ILE A CA 1 ATOM 392 C C . ILE A 1 78 ? -33.197 -32.076 1.944 1.00 94.57 ? 54 ILE A C 1 ATOM 393 O O . ILE A 1 78 ? -33.637 -30.946 2.146 1.00 95.88 ? 54 ILE A O 1 ATOM 394 C CB . ILE A 1 78 ? -33.489 -32.292 -0.544 1.00 89.33 ? 54 ILE A CB 1 ATOM 395 C CG1 . ILE A 1 78 ? -33.603 -33.337 -1.654 1.00 87.88 ? 54 ILE A CG1 1 ATOM 396 C CG2 . ILE A 1 78 ? -32.116 -31.662 -0.568 1.00 85.45 ? 54 ILE A CG2 1 ATOM 397 C CD1 . ILE A 1 78 ? -33.336 -32.794 -3.029 1.00 84.93 ? 54 ILE A CD1 1 ATOM 398 N N . CYS A 1 79 ? -32.223 -32.621 2.669 1.00 93.95 ? 55 CYS A N 1 ATOM 399 C CA . CYS A 1 79 ? -31.580 -31.914 3.771 1.00 94.29 ? 55 CYS A CA 1 ATOM 400 C C . CYS A 1 79 ? -30.885 -30.655 3.278 1.00 90.82 ? 55 CYS A C 1 ATOM 401 O O . CYS A 1 79 ? -31.115 -29.564 3.795 1.00 91.45 ? 55 CYS A O 1 ATOM 402 C CB . CYS A 1 79 ? -30.567 -32.826 4.458 1.00 94.45 ? 55 CYS A CB 1 ATOM 403 S SG . CYS A 1 79 ? -29.534 -33.745 3.301 1.00 154.01 ? 55 CYS A SG 1 ATOM 404 N N . GLY A 1 80 ? -30.034 -30.817 2.272 1.00 87.71 ? 56 GLY A N 1 ATOM 405 C CA . GLY A 1 80 ? -29.300 -29.701 1.709 1.00 85.18 ? 56 GLY A CA 1 ATOM 406 C C . GLY A 1 80 ? -28.677 -30.057 0.377 1.00 81.85 ? 56 GLY A C 1 ATOM 407 O O . GLY A 1 80 ? -29.036 -31.057 -0.231 1.00 81.64 ? 56 GLY A O 1 ATOM 408 N N . ILE A 1 81 ? -27.740 -29.237 -0.081 1.00 80.04 ? 57 ILE A N 1 ATOM 409 C CA . ILE A 1 81 ? -27.097 -29.468 -1.368 1.00 78.01 ? 57 ILE A CA 1 ATOM 410 C C . ILE A 1 81 ? -25.583 -29.383 -1.251 1.00 77.78 ? 57 ILE A C 1 ATOM 411 O O . ILE A 1 81 ? -25.056 -28.668 -0.398 1.00 78.67 ? 57 ILE A O 1 ATOM 412 C CB . ILE A 1 81 ? -27.571 -28.449 -2.410 1.00 76.83 ? 57 ILE A CB 1 ATOM 413 C CG1 . ILE A 1 81 ? -27.232 -27.032 -1.957 1.00 76.75 ? 57 ILE A CG1 1 ATOM 414 C CG2 . ILE A 1 81 ? -29.067 -28.567 -2.627 1.00 78.75 ? 57 ILE A CG2 1 ATOM 415 C CD1 . ILE A 1 81 ? -28.035 -25.966 -2.654 1.00 77.27 ? 57 ILE A CD1 1 ATOM 416 N N . ARG A 1 82 ? -24.881 -30.118 -2.104 1.00 77.45 ? 58 ARG A N 1 ATOM 417 C CA . ARG A 1 82 ? -23.424 -30.043 -2.124 1.00 78.01 ? 58 ARG A CA 1 ATOM 418 C C . ARG A 1 82 ? -22.925 -29.484 -3.447 1.00 76.83 ? 58 ARG A C 1 ATOM 419 O O . ARG A 1 82 ? -23.412 -29.853 -4.516 1.00 75.76 ? 58 ARG A O 1 ATOM 420 C CB . ARG A 1 82 ? -22.790 -31.406 -1.846 1.00 79.91 ? 58 ARG A CB 1 ATOM 421 C CG . ARG A 1 82 ? -23.172 -31.985 -0.498 1.00 83.16 ? 58 ARG A CG 1 ATOM 422 C CD . ARG A 1 82 ? -22.133 -32.971 0.017 1.00 85.61 ? 58 ARG A CD 1 ATOM 423 N NE . ARG A 1 82 ? -20.936 -32.291 0.502 1.00 86.85 ? 58 ARG A NE 1 ATOM 424 C CZ . ARG A 1 82 ? -20.797 -31.819 1.736 1.00 89.24 ? 58 ARG A CZ 1 ATOM 425 N NH1 . ARG A 1 82 ? -19.675 -31.213 2.093 1.00 90.30 ? 58 ARG A NH1 1 ATOM 426 N NH2 . ARG A 1 82 ? -21.781 -31.951 2.615 1.00 90.92 ? 58 ARG A NH2 1 ATOM 427 N N . SER A 1 83 ? -21.952 -28.585 -3.358 1.00 77.45 ? 59 SER A N 1 ATOM 428 C CA . SER A 1 83 ? -21.430 -27.896 -4.527 1.00 77.45 ? 59 SER A CA 1 ATOM 429 C C . SER A 1 83 ? -20.530 -28.806 -5.348 1.00 77.96 ? 59 SER A C 1 ATOM 430 O O . SER A 1 83 ? -19.892 -29.708 -4.812 1.00 78.71 ? 59 SER A O 1 ATOM 431 C CB . SER A 1 83 ? -20.660 -26.650 -4.095 1.00 78.17 ? 59 SER A CB 1 ATOM 432 O OG . SER A 1 83 ? -21.405 -25.902 -3.153 1.00 78.62 ? 59 SER A OG 1 ATOM 433 N N . VAL A 1 84 ? -20.490 -28.564 -6.653 1.00 78.59 ? 60 VAL A N 1 ATOM 434 C CA . VAL A 1 84 ? -19.639 -29.333 -7.548 1.00 80.02 ? 60 VAL A CA 1 ATOM 435 C C . VAL A 1 84 ? -18.266 -28.693 -7.600 1.00 80.86 ? 60 VAL A C 1 ATOM 436 O O . VAL A 1 84 ? -17.248 -29.382 -7.596 1.00 82.26 ? 60 VAL A O 1 ATOM 437 C CB . VAL A 1 84 ? -20.211 -29.361 -8.968 1.00 81.24 ? 60 VAL A CB 1 ATOM 438 C CG1 . VAL A 1 84 ? -19.534 -30.444 -9.795 1.00 82.75 ? 60 VAL A CG1 1 ATOM 439 C CG2 . VAL A 1 84 ? -21.693 -29.590 -8.919 1.00 81.09 ? 60 VAL A CG2 1 ATOM 440 N N . THR A 1 85 ? -18.252 -27.365 -7.649 1.00 79.77 ? 61 THR A N 1 ATOM 441 C CA . THR A 1 85 ? -17.007 -26.615 -7.727 1.00 80.26 ? 61 THR A CA 1 ATOM 442 C C . THR A 1 85 ? -16.893 -25.589 -6.605 1.00 79.76 ? 61 THR A C 1 ATOM 443 O O . THR A 1 85 ? -17.844 -25.365 -5.858 1.00 78.34 ? 61 THR A O 1 ATOM 444 C CB . THR A 1 85 ? -16.876 -25.898 -9.077 1.00 80.94 ? 61 THR A CB 1 ATOM 445 O OG1 . THR A 1 85 ? -15.796 -24.956 -9.016 1.00 83.09 ? 61 THR A OG1 1 ATOM 446 C CG2 . THR A 1 85 ? -18.160 -25.163 -9.413 1.00 79.62 ? 61 THR A CG2 1 ATOM 447 N N . ARG A 1 86 ? -15.720 -24.971 -6.498 1.00 81.33 ? 62 ARG A N 1 ATOM 448 C CA . ARG A 1 86 ? -15.465 -23.969 -5.471 1.00 81.87 ? 62 ARG A CA 1 ATOM 449 C C . ARG A 1 86 ? -16.314 -22.726 -5.700 1.00 79.54 ? 62 ARG A C 1 ATOM 450 O O . ARG A 1 86 ? -16.906 -22.188 -4.764 1.00 79.51 ? 62 ARG A O 1 ATOM 451 C CB . ARG A 1 86 ? -13.977 -23.599 -5.450 1.00 86.26 ? 62 ARG A CB 1 ATOM 452 C CG . ARG A 1 86 ? -13.596 -22.555 -4.410 1.00 89.42 ? 62 ARG A CG 1 ATOM 453 C CD . ARG A 1 86 ? -13.238 -21.225 -5.055 1.00 92.51 ? 62 ARG A CD 1 ATOM 454 N NE . ARG A 1 86 ? -11.800 -21.067 -5.262 1.00 96.89 ? 62 ARG A NE 1 ATOM 455 C CZ . ARG A 1 86 ? -11.237 -19.989 -5.800 1.00 100.27 ? 62 ARG A CZ 1 ATOM 456 N NH1 . ARG A 1 86 ? -9.921 -19.927 -5.947 1.00 104.40 ? 62 ARG A NH1 1 ATOM 457 N NH2 . ARG A 1 86 ? -11.987 -18.970 -6.193 1.00 99.95 ? 62 ARG A NH2 1 ATOM 458 N N . LEU A 1 87 ? -16.378 -22.286 -6.951 1.00 78.22 ? 63 LEU A N 1 ATOM 459 C CA . LEU A 1 87 ? -17.103 -21.069 -7.294 1.00 77.25 ? 63 LEU A CA 1 ATOM 460 C C . LEU A 1 87 ? -18.594 -21.198 -6.996 1.00 73.93 ? 63 LEU A C 1 ATOM 461 O O . LEU A 1 87 ? -19.241 -20.228 -6.606 1.00 74.97 ? 63 LEU A O 1 ATOM 462 C CB . LEU A 1 87 ? -16.885 -20.694 -8.760 1.00 79.02 ? 63 LEU A CB 1 ATOM 463 C CG . LEU A 1 87 ? -15.453 -20.569 -9.281 1.00 82.02 ? 63 LEU A CG 1 ATOM 464 C CD1 . LEU A 1 87 ? -15.440 -19.805 -10.594 1.00 84.34 ? 63 LEU A CD1 1 ATOM 465 C CD2 . LEU A 1 87 ? -14.536 -19.913 -8.267 1.00 84.20 ? 63 LEU A CD2 1 ATOM 466 N N . GLU A 1 88 ? -19.131 -22.398 -7.180 1.00 70.25 ? 64 GLU A N 1 ATOM 467 C CA . GLU A 1 88 ? -20.522 -22.664 -6.846 1.00 67.52 ? 64 GLU A CA 1 ATOM 468 C C . GLU A 1 88 ? -20.744 -22.446 -5.358 1.00 66.20 ? 64 GLU A C 1 ATOM 469 O O . GLU A 1 88 ? -21.705 -21.803 -4.950 1.00 66.30 ? 64 GLU A O 1 ATOM 470 C CB . GLU A 1 88 ? -20.893 -24.095 -7.229 1.00 66.18 ? 64 GLU A CB 1 ATOM 471 C CG . GLU A 1 88 ? -22.301 -24.500 -6.838 1.00 65.57 ? 64 GLU A CG 1 ATOM 472 C CD . GLU A 1 88 ? -22.657 -25.888 -7.322 1.00 64.79 ? 64 GLU A CD 1 ATOM 473 O OE1 . GLU A 1 88 ? -21.837 -26.487 -8.044 1.00 64.78 ? 64 GLU A OE1 1 ATOM 474 O OE2 . GLU A 1 88 ? -23.755 -26.377 -6.980 1.00 64.60 ? 64 GLU A OE2 1 ATOM 475 N N . ASN A 1 89 ? -19.837 -22.987 -4.557 1.00 65.70 ? 65 ASN A N 1 ATOM 476 C CA . ASN A 1 89 ? -19.870 -22.804 -3.113 1.00 65.83 ? 65 ASN A CA 1 ATOM 477 C C . ASN A 1 89 ? -19.829 -21.322 -2.749 1.00 67.85 ? 65 ASN A C 1 ATOM 478 O O . ASN A 1 89 ? -20.623 -20.857 -1.932 1.00 68.79 ? 65 ASN A O 1 ATOM 479 C CB . ASN A 1 89 ? -18.707 -23.569 -2.466 1.00 65.19 ? 65 ASN A CB 1 ATOM 480 C CG . ASN A 1 89 ? -18.669 -23.424 -0.960 1.00 65.53 ? 65 ASN A CG 1 ATOM 481 O OD1 . ASN A 1 89 ? -17.615 -23.167 -0.379 1.00 66.47 ? 65 ASN A OD1 1 ATOM 482 N ND2 . ASN A 1 89 ? -19.815 -23.596 -0.318 1.00 65.42 ? 65 ASN A ND2 1 ATOM 483 N N . LEU A 1 90 ? -18.918 -20.582 -3.377 1.00 69.25 ? 66 LEU A N 1 ATOM 484 C CA . LEU A 1 90 ? -18.804 -19.152 -3.119 1.00 72.17 ? 66 LEU A CA 1 ATOM 485 C C . LEU A 1 90 ? -20.105 -18.438 -3.466 1.00 74.14 ? 66 LEU A C 1 ATOM 486 O O . LEU A 1 90 ? -20.517 -17.501 -2.778 1.00 76.12 ? 66 LEU A O 1 ATOM 487 C CB . LEU A 1 90 ? -17.635 -18.543 -3.895 1.00 73.05 ? 66 LEU A CB 1 ATOM 488 C CG . LEU A 1 90 ? -16.239 -19.081 -3.578 1.00 73.83 ? 66 LEU A CG 1 ATOM 489 C CD1 . LEU A 1 90 ? -15.159 -18.188 -4.172 1.00 76.53 ? 66 LEU A CD1 1 ATOM 490 C CD2 . LEU A 1 90 ? -16.040 -19.239 -2.084 1.00 74.84 ? 66 LEU A CD2 1 ATOM 491 N N . MET A 1 91 ? -20.756 -18.897 -4.528 1.00 74.34 ? 67 MET A N 1 ATOM 492 C CA . MET A 1 91 ? -22.038 -18.338 -4.926 1.00 76.82 ? 67 MET A CA 1 ATOM 493 C C . MET A 1 91 ? -23.085 -18.587 -3.852 1.00 78.52 ? 67 MET A C 1 ATOM 494 O O . MET A 1 91 ? -23.759 -17.660 -3.413 1.00 80.40 ? 67 MET A O 1 ATOM 495 C CB . MET A 1 91 ? -22.499 -18.947 -6.247 1.00 75.93 ? 67 MET A CB 1 ATOM 496 C CG . MET A 1 91 ? -23.886 -18.507 -6.669 1.00 77.20 ? 67 MET A CG 1 ATOM 497 S SD . MET A 1 91 ? -24.581 -19.582 -7.931 1.00 183.52 ? 67 MET A SD 1 ATOM 498 C CE . MET A 1 91 ? -24.537 -21.157 -7.080 1.00 48.10 ? 67 MET A CE 1 ATOM 499 N N . TRP A 1 92 ? -23.211 -19.843 -3.434 1.00 78.70 ? 68 TRP A N 1 ATOM 500 C CA . TRP A 1 92 ? -24.170 -20.214 -2.403 1.00 81.02 ? 68 TRP A CA 1 ATOM 501 C C . TRP A 1 92 ? -23.967 -19.378 -1.156 1.00 84.21 ? 68 TRP A C 1 ATOM 502 O O . TRP A 1 92 ? -24.926 -18.954 -0.523 1.00 86.18 ? 68 TRP A O 1 ATOM 503 C CB . TRP A 1 92 ? -24.049 -21.696 -2.053 1.00 79.92 ? 68 TRP A CB 1 ATOM 504 C CG . TRP A 1 92 ? -24.587 -22.582 -3.110 1.00 78.96 ? 68 TRP A CG 1 ATOM 505 C CD1 . TRP A 1 92 ? -23.898 -23.506 -3.835 1.00 77.64 ? 68 TRP A CD1 1 ATOM 506 C CD2 . TRP A 1 92 ? -25.935 -22.621 -3.583 1.00 79.99 ? 68 TRP A CD2 1 ATOM 507 N NE1 . TRP A 1 92 ? -24.738 -24.127 -4.727 1.00 77.40 ? 68 TRP A NE1 1 ATOM 508 C CE2 . TRP A 1 92 ? -25.996 -23.599 -4.592 1.00 78.95 ? 68 TRP A CE2 1 ATOM 509 C CE3 . TRP A 1 92 ? -27.099 -21.926 -3.248 1.00 82.25 ? 68 TRP A CE3 1 ATOM 510 C CZ2 . TRP A 1 92 ? -27.177 -23.898 -5.271 1.00 79.85 ? 68 TRP A CZ2 1 ATOM 511 C CZ3 . TRP A 1 92 ? -28.266 -22.223 -3.919 1.00 83.20 ? 68 TRP A CZ3 1 ATOM 512 C CH2 . TRP A 1 92 ? -28.299 -23.200 -4.918 1.00 81.93 ? 68 TRP A CH2 1 ATOM 513 N N . LYS A 1 93 ? -22.707 -19.144 -0.815 1.00 85.79 ? 69 LYS A N 1 ATOM 514 C CA . LYS A 1 93 ? -22.380 -18.301 0.322 1.00 89.76 ? 69 LYS A CA 1 ATOM 515 C C . LYS A 1 93 ? -22.879 -16.873 0.108 1.00 92.85 ? 69 LYS A C 1 ATOM 516 O O . LYS A 1 93 ? -23.625 -16.337 0.928 1.00 95.00 ? 69 LYS A O 1 ATOM 517 C CB . LYS A 1 93 ? -20.871 -18.310 0.561 1.00 90.96 ? 69 LYS A CB 1 ATOM 518 C CG . LYS A 1 93 ? -20.335 -19.661 1.001 1.00 90.50 ? 69 LYS A CG 1 ATOM 519 C CD . LYS A 1 93 ? -18.818 -19.699 0.992 1.00 91.80 ? 69 LYS A CD 1 ATOM 520 C CE . LYS A 1 93 ? -18.316 -20.974 1.643 1.00 92.19 ? 69 LYS A CE 1 ATOM 521 N NZ . LYS A 1 93 ? -16.869 -21.216 1.386 1.00 93.28 ? 69 LYS A NZ 1 ATOM 522 N N . GLN A 1 94 ? -22.482 -16.270 -1.008 1.00 93.41 ? 70 GLN A N 1 ATOM 523 C CA . GLN A 1 94 ? -22.803 -14.872 -1.277 1.00 96.92 ? 70 GLN A CA 1 ATOM 524 C C . GLN A 1 94 ? -24.283 -14.630 -1.563 1.00 97.99 ? 70 GLN A C 1 ATOM 525 O O . GLN A 1 94 ? -24.721 -13.484 -1.641 1.00 101.56 ? 70 GLN A O 1 ATOM 526 C CB . GLN A 1 94 ? -21.956 -14.343 -2.439 1.00 97.66 ? 70 GLN A CB 1 ATOM 527 C CG . GLN A 1 94 ? -20.460 -14.283 -2.155 1.00 98.72 ? 70 GLN A CG 1 ATOM 528 C CD . GLN A 1 94 ? -19.664 -13.722 -3.321 1.00 100.13 ? 70 GLN A CD 1 ATOM 529 O OE1 . GLN A 1 94 ? -20.185 -13.566 -4.425 1.00 100.20 ? 70 GLN A OE1 1 ATOM 530 N NE2 . GLN A 1 94 ? -18.393 -13.415 -3.079 1.00 101.92 ? 70 GLN A NE2 1 ATOM 531 N N . ILE A 1 95 ? -25.053 -15.702 -1.718 1.00 95.82 ? 71 ILE A N 1 ATOM 532 C CA . ILE A 1 95 ? -26.458 -15.566 -2.092 1.00 96.98 ? 71 ILE A CA 1 ATOM 533 C C . ILE A 1 95 ? -27.408 -16.056 -1.000 1.00 96.28 ? 71 ILE A C 1 ATOM 534 O O . ILE A 1 95 ? -28.585 -15.700 -0.988 1.00 98.46 ? 71 ILE A O 1 ATOM 535 C CB . ILE A 1 95 ? -26.762 -16.304 -3.413 1.00 97.18 ? 71 ILE A CB 1 ATOM 536 C CG1 . ILE A 1 95 ? -28.025 -15.738 -4.065 1.00 100.63 ? 71 ILE A CG1 1 ATOM 537 C CG2 . ILE A 1 95 ? -26.885 -17.803 -3.184 1.00 95.31 ? 71 ILE A CG2 1 ATOM 538 C CD1 . ILE A 1 95 ? -28.515 -16.532 -5.256 1.00 99.96 ? 71 ILE A CD1 1 ATOM 539 N N . THR A 1 96 ? -26.884 -16.866 -0.085 1.00 93.19 ? 72 THR A N 1 ATOM 540 C CA . THR A 1 96 ? -27.671 -17.429 1.016 1.00 92.35 ? 72 THR A CA 1 ATOM 541 C C . THR A 1 96 ? -28.555 -16.420 1.774 1.00 94.09 ? 72 THR A C 1 ATOM 542 O O . THR A 1 96 ? -29.734 -16.698 2.007 1.00 95.16 ? 72 THR A O 1 ATOM 543 C CB . THR A 1 96 ? -26.783 -18.224 2.009 1.00 137.78 ? 72 THR A CB 1 ATOM 544 O OG1 . THR A 1 96 ? -26.116 -19.283 1.312 1.00 134.24 ? 72 THR A OG1 1 ATOM 545 C CG2 . THR A 1 96 ? -27.619 -18.819 3.129 1.00 140.03 ? 72 THR A CG2 1 ATOM 546 N N . PRO A 1 97 ? -28.001 -15.249 2.156 1.00 94.17 ? 73 PRO A N 1 ATOM 547 C CA . PRO A 1 97 ? -28.871 -14.298 2.854 1.00 97.45 ? 73 PRO A CA 1 ATOM 548 C C . PRO A 1 97 ? -30.055 -13.874 2.001 1.00 97.61 ? 73 PRO A C 1 ATOM 549 O O . PRO A 1 97 ? -31.185 -13.878 2.485 1.00 100.82 ? 73 PRO A O 1 ATOM 550 C CB . PRO A 1 97 ? -27.951 -13.097 3.100 1.00 99.56 ? 73 PRO A CB 1 ATOM 551 C CG . PRO A 1 97 ? -26.840 -13.246 2.125 1.00 96.33 ? 73 PRO A CG 1 ATOM 552 C CD . PRO A 1 97 ? -26.633 -14.718 2.017 1.00 92.93 ? 73 PRO A CD 1 ATOM 553 N N . GLU A 1 98 ? -29.793 -13.522 0.748 1.00 94.70 ? 74 GLU A N 1 ATOM 554 C CA . GLU A 1 98 ? -30.849 -13.109 -0.159 1.00 95.60 ? 74 GLU A CA 1 ATOM 555 C C . GLU A 1 98 ? -31.864 -14.227 -0.329 1.00 93.57 ? 74 GLU A C 1 ATOM 556 O O . GLU A 1 98 ? -33.065 -13.986 -0.323 1.00 97.36 ? 74 GLU A O 1 ATOM 557 C CB . GLU A 1 98 ? -30.266 -12.720 -1.513 1.00 94.39 ? 74 GLU A CB 1 ATOM 558 C CG . GLU A 1 98 ? -31.280 -12.129 -2.466 1.00 98.09 ? 74 GLU A CG 1 ATOM 559 C CD . GLU A 1 98 ? -30.643 -11.608 -3.732 1.00 98.01 ? 74 GLU A CD 1 ATOM 560 O OE1 . GLU A 1 98 ? -29.950 -12.390 -4.412 1.00 94.20 ? 74 GLU A OE1 1 ATOM 561 O OE2 . GLU A 1 98 ? -30.829 -10.414 -4.045 1.00 102.15 ? 74 GLU A OE2 1 ATOM 562 N N . LEU A 1 99 ? -31.369 -15.452 -0.464 1.00 87.99 ? 75 LEU A N 1 ATOM 563 C CA . LEU A 1 99 ? -32.233 -16.613 -0.617 1.00 86.26 ? 75 LEU A CA 1 ATOM 564 C C . LEU A 1 99 ? -33.117 -16.811 0.602 1.00 88.46 ? 75 LEU A C 1 ATOM 565 O O . LEU A 1 99 ? -34.323 -16.997 0.476 1.00 91.42 ? 75 LEU A O 1 ATOM 566 C CB . LEU A 1 99 ? -31.402 -17.868 -0.860 1.00 81.98 ? 75 LEU A CB 1 ATOM 567 C CG . LEU A 1 99 ? -30.697 -17.962 -2.209 1.00 79.30 ? 75 LEU A CG 1 ATOM 568 C CD1 . LEU A 1 99 ? -30.104 -19.347 -2.390 1.00 75.80 ? 75 LEU A CD1 1 ATOM 569 C CD2 . LEU A 1 99 ? -31.662 -17.639 -3.334 1.00 81.14 ? 75 LEU A CD2 1 ATOM 570 N N . ASN A 1 100 ? -32.507 -16.781 1.781 1.00 87.54 ? 76 ASN A N 1 ATOM 571 C CA . ASN A 1 100 ? -33.257 -16.855 3.027 1.00 90.54 ? 76 ASN A CA 1 ATOM 572 C C . ASN A 1 100 ? -34.203 -15.677 3.147 1.00 95.04 ? 76 ASN A C 1 ATOM 573 O O . ASN A 1 100 ? -35.314 -15.805 3.653 1.00 98.81 ? 76 ASN A O 1 ATOM 574 C CB . ASN A 1 100 ? -32.307 -16.872 4.224 1.00 89.82 ? 76 ASN A CB 1 ATOM 575 C CG . ASN A 1 100 ? -31.893 -18.271 4.620 1.00 86.38 ? 76 ASN A CG 1 ATOM 576 O OD1 . ASN A 1 100 ? -32.725 -19.169 4.735 1.00 86.89 ? 76 ASN A OD1 1 ATOM 577 N ND2 . ASN A 1 100 ? -30.599 -18.464 4.835 1.00 83.34 ? 76 ASN A ND2 1 ATOM 578 N N . HIS A 1 101 ? -33.745 -14.523 2.681 1.00 95.55 ? 77 HIS A N 1 ATOM 579 C CA . HIS A 1 101 ? -34.567 -13.330 2.686 1.00 101.83 ? 77 HIS A CA 1 ATOM 580 C C . HIS A 1 101 ? -35.756 -13.561 1.769 1.00 104.86 ? 77 HIS A C 1 ATOM 581 O O . HIS A 1 101 ? -36.902 -13.375 2.168 1.00 96.38 ? 77 HIS A O 1 ATOM 582 C CB . HIS A 1 101 ? -33.756 -12.126 2.213 1.00 101.47 ? 77 HIS A CB 1 ATOM 583 C CG . HIS A 1 101 ? -34.321 -10.813 2.648 1.00 107.58 ? 77 HIS A CG 1 ATOM 584 N ND1 . HIS A 1 101 ? -35.061 -10.008 1.810 1.00 110.88 ? 77 HIS A ND1 1 ATOM 585 C CD2 . HIS A 1 101 ? -34.255 -10.164 3.835 1.00 99.24 ? 77 HIS A CD2 1 ATOM 586 C CE1 . HIS A 1 101 ? -35.426 -8.918 2.461 1.00 116.46 ? 77 HIS A CE1 1 ATOM 587 N NE2 . HIS A 1 101 ? -34.951 -8.988 3.691 1.00 116.57 ? 77 HIS A NE2 1 ATOM 588 N N . ILE A 1 102 ? -35.468 -13.985 0.543 1.00 102.26 ? 78 ILE A N 1 ATOM 589 C CA . ILE A 1 102 ? -36.501 -14.332 -0.425 1.00 105.09 ? 78 ILE A CA 1 ATOM 590 C C . ILE A 1 102 ? -37.422 -15.416 0.124 1.00 108.82 ? 78 ILE A C 1 ATOM 591 O O . ILE A 1 102 ? -38.645 -15.319 0.019 1.00 113.80 ? 78 ILE A O 1 ATOM 592 C CB . ILE A 1 102 ? -35.881 -14.818 -1.744 1.00 99.42 ? 78 ILE A CB 1 ATOM 593 C CG1 . ILE A 1 102 ? -35.259 -13.642 -2.498 1.00 99.50 ? 78 ILE A CG1 1 ATOM 594 C CG2 . ILE A 1 102 ? -36.923 -15.498 -2.610 1.00 100.50 ? 78 ILE A CG2 1 ATOM 595 C CD1 . ILE A 1 102 ? -34.574 -14.034 -3.783 1.00 95.51 ? 78 ILE A CD1 1 ATOM 596 N N . LEU A 1 103 ? -36.821 -16.442 0.716 1.00 107.36 ? 79 LEU A N 1 ATOM 597 C CA . LEU A 1 103 ? -37.576 -17.531 1.322 1.00 111.14 ? 79 LEU A CA 1 ATOM 598 C C . LEU A 1 103 ? -38.495 -16.989 2.410 1.00 120.14 ? 79 LEU A C 1 ATOM 599 O O . LEU A 1 103 ? -39.609 -17.476 2.602 1.00 124.14 ? 79 LEU A O 1 ATOM 600 C CB . LEU A 1 103 ? -36.619 -18.568 1.904 1.00 106.34 ? 79 LEU A CB 1 ATOM 601 C CG . LEU A 1 103 ? -37.132 -20.000 1.970 1.00 105.77 ? 79 LEU A CG 1 ATOM 602 C CD1 . LEU A 1 103 ? -37.842 -20.339 0.685 1.00 105.58 ? 79 LEU A CD1 1 ATOM 603 C CD2 . LEU A 1 103 ? -35.968 -20.938 2.191 1.00 100.71 ? 79 LEU A CD2 1 ATOM 604 N N . SER A 1 104 ? -38.017 -15.969 3.115 1.00 124.15 ? 80 SER A N 1 ATOM 605 C CA . SER A 1 104 ? -38.825 -15.278 4.107 1.00 133.31 ? 80 SER A CA 1 ATOM 606 C C . SER A 1 104 ? -39.839 -14.367 3.420 1.00 140.43 ? 80 SER A C 1 ATOM 607 O O . SER A 1 104 ? -40.950 -14.179 3.915 1.00 146.92 ? 80 SER A O 1 ATOM 608 C CB . SER A 1 104 ? -37.931 -14.463 5.041 1.00 133.83 ? 80 SER A CB 1 ATOM 609 O OG . SER A 1 104 ? -38.703 -13.674 5.926 1.00 141.06 ? 80 SER A OG 1 ATOM 610 N N . GLU A 1 105 ? -39.449 -13.803 2.278 1.00 139.81 ? 81 GLU A N 1 ATOM 611 C CA . GLU A 1 105 ? -40.340 -12.937 1.509 1.00 146.45 ? 81 GLU A CA 1 ATOM 612 C C . GLU A 1 105 ? -41.543 -13.725 1.016 1.00 150.26 ? 81 GLU A C 1 ATOM 613 O O . GLU A 1 105 ? -42.634 -13.180 0.851 1.00 156.97 ? 81 GLU A O 1 ATOM 614 C CB . GLU A 1 105 ? -39.608 -12.312 0.320 1.00 143.66 ? 81 GLU A CB 1 ATOM 615 C CG . GLU A 1 105 ? -38.589 -11.247 0.692 1.00 143.28 ? 81 GLU A CG 1 ATOM 616 C CD . GLU A 1 105 ? -37.830 -10.727 -0.511 1.00 140.57 ? 81 GLU A CD 1 ATOM 617 O OE1 . GLU A 1 105 ? -38.226 -11.050 -1.650 1.00 140.14 ? 81 GLU A OE1 1 ATOM 618 O OE2 . GLU A 1 105 ? -36.835 -9.998 -0.317 1.00 139.40 ? 81 GLU A OE2 1 ATOM 619 N N . ASN A 1 106 ? -41.332 -15.013 0.779 1.00 129.61 ? 82 ASN A N 1 ATOM 620 C CA . ASN A 1 106 ? -42.412 -15.900 0.385 1.00 131.94 ? 82 ASN A CA 1 ATOM 621 C C . ASN A 1 106 ? -43.050 -16.524 1.616 1.00 133.26 ? 82 ASN A C 1 ATOM 622 O O . ASN A 1 106 ? -43.950 -17.358 1.508 1.00 134.67 ? 82 ASN A O 1 ATOM 623 C CB . ASN A 1 106 ? -41.895 -16.979 -0.564 1.00 130.15 ? 82 ASN A CB 1 ATOM 624 C CG . ASN A 1 106 ? -41.294 -16.398 -1.829 1.00 130.31 ? 82 ASN A CG 1 ATOM 625 O OD1 . ASN A 1 106 ? -41.757 -15.375 -2.335 1.00 133.08 ? 82 ASN A OD1 1 ATOM 626 N ND2 . ASN A 1 106 ? -40.255 -17.045 -2.343 1.00 127.55 ? 82 ASN A ND2 1 ATOM 627 N N . GLU A 1 107 ? -42.561 -16.109 2.782 1.00 133.07 ? 83 GLU A N 1 ATOM 628 C CA . GLU A 1 107 ? -43.111 -16.518 4.072 1.00 134.50 ? 83 GLU A CA 1 ATOM 629 C C . GLU A 1 107 ? -43.122 -18.034 4.246 1.00 133.26 ? 83 GLU A C 1 ATOM 630 O O . GLU A 1 107 ? -43.968 -18.585 4.948 1.00 134.97 ? 83 GLU A O 1 ATOM 631 C CB . GLU A 1 107 ? -44.515 -15.938 4.261 1.00 138.61 ? 83 GLU A CB 1 ATOM 632 C CG . GLU A 1 107 ? -44.901 -15.668 5.708 1.00 140.33 ? 83 GLU A CG 1 ATOM 633 C CD . GLU A 1 107 ? -46.217 -14.927 5.825 1.00 144.45 ? 83 GLU A CD 1 ATOM 634 O OE1 . GLU A 1 107 ? -46.869 -15.028 6.885 1.00 146.44 ? 83 GLU A OE1 1 ATOM 635 O OE2 . GLU A 1 107 ? -46.598 -14.238 4.855 1.00 145.95 ? 83 GLU A OE2 1 ATOM 636 N N . VAL A 1 108 ? -42.174 -18.703 3.598 1.00 130.51 ? 84 VAL A N 1 ATOM 637 C CA . VAL A 1 108 ? -42.031 -20.143 3.737 1.00 129.21 ? 84 VAL A CA 1 ATOM 638 C C . VAL A 1 108 ? -41.036 -20.446 4.848 1.00 126.76 ? 84 VAL A C 1 ATOM 639 O O . VAL A 1 108 ? -39.918 -19.934 4.844 1.00 124.75 ? 84 VAL A O 1 ATOM 640 C CB . VAL A 1 108 ? -41.544 -20.782 2.434 1.00 127.69 ? 84 VAL A CB 1 ATOM 641 C CG1 . VAL A 1 108 ? -41.681 -22.294 2.509 1.00 127.59 ? 84 VAL A CG1 1 ATOM 642 C CG2 . VAL A 1 108 ? -42.331 -20.233 1.260 1.00 129.87 ? 84 VAL A CG2 1 ATOM 643 N N . LYS A 1 109 ? -41.450 -21.276 5.799 1.00 127.44 ? 85 LYS A N 1 ATOM 644 C CA . LYS A 1 109 ? -40.609 -21.596 6.946 1.00 126.06 ? 85 LYS A CA 1 ATOM 645 C C . LYS A 1 109 ? -39.434 -22.503 6.579 1.00 122.11 ? 85 LYS A C 1 ATOM 646 O O . LYS A 1 109 ? -39.600 -23.710 6.403 1.00 121.79 ? 85 LYS A O 1 ATOM 647 C CB . LYS A 1 109 ? -41.446 -22.220 8.070 1.00 129.55 ? 85 LYS A CB 1 ATOM 648 C CG . LYS A 1 109 ? -42.416 -23.304 7.616 1.00 131.97 ? 85 LYS A CG 1 ATOM 649 C CD . LYS A 1 109 ? -43.143 -23.926 8.800 1.00 135.25 ? 85 LYS A CD 1 ATOM 650 C CE . LYS A 1 109 ? -44.091 -25.033 8.359 1.00 137.47 ? 85 LYS A CE 1 ATOM 651 N NZ . LYS A 1 109 ? -44.798 -25.651 9.517 1.00 140.36 ? 85 LYS A NZ 1 ATOM 652 N N . LEU A 1 110 ? -38.249 -21.906 6.464 1.00 119.00 ? 86 LEU A N 1 ATOM 653 C CA . LEU A 1 110 ? -37.021 -22.651 6.181 1.00 114.98 ? 86 LEU A CA 1 ATOM 654 C C . LEU A 1 110 ? -35.774 -21.796 6.404 1.00 112.67 ? 86 LEU A C 1 ATOM 655 O O . LEU A 1 110 ? -35.731 -20.632 6.007 1.00 113.35 ? 86 LEU A O 1 ATOM 656 C CB . LEU A 1 110 ? -37.028 -23.189 4.748 1.00 112.53 ? 86 LEU A CB 1 ATOM 657 C CG . LEU A 1 110 ? -35.793 -23.983 4.322 1.00 108.42 ? 86 LEU A CG 1 ATOM 658 C CD1 . LEU A 1 110 ? -35.532 -25.118 5.295 1.00 107.95 ? 86 LEU A CD1 1 ATOM 659 C CD2 . LEU A 1 110 ? -35.948 -24.517 2.905 1.00 107.04 ? 86 LEU A CD2 1 ATOM 660 N N . THR A 1 111 ? -34.765 -22.381 7.041 1.00 110.27 ? 87 THR A N 1 ATOM 661 C CA . THR A 1 111 ? -33.505 -21.689 7.285 1.00 108.04 ? 87 THR A CA 1 ATOM 662 C C . THR A 1 111 ? -32.384 -22.307 6.455 1.00 103.49 ? 87 THR A C 1 ATOM 663 O O . THR A 1 111 ? -32.055 -23.480 6.623 1.00 102.86 ? 87 THR A O 1 ATOM 664 C CB . THR A 1 111 ? -33.122 -21.733 8.773 1.00 110.63 ? 87 THR A CB 1 ATOM 665 O OG1 . THR A 1 111 ? -34.193 -21.199 9.561 1.00 113.67 ? 87 THR A OG1 1 ATOM 666 C CG2 . THR A 1 111 ? -31.862 -20.925 9.026 1.00 110.54 ? 87 THR A CG2 1 ATOM 667 N N . ILE A 1 112 ? -31.804 -21.515 5.558 1.00 100.03 ? 88 ILE A N 1 ATOM 668 C CA . ILE A 1 112 ? -30.735 -22.000 4.687 1.00 95.47 ? 88 ILE A CA 1 ATOM 669 C C . ILE A 1 112 ? -29.365 -21.794 5.315 1.00 93.92 ? 88 ILE A C 1 ATOM 670 O O . ILE A 1 112 ? -29.002 -20.677 5.679 1.00 94.54 ? 88 ILE A O 1 ATOM 671 C CB . ILE A 1 112 ? -30.754 -21.299 3.324 1.00 93.47 ? 88 ILE A CB 1 ATOM 672 C CG1 . ILE A 1 112 ? -32.122 -21.457 2.661 1.00 94.32 ? 88 ILE A CG1 1 ATOM 673 C CG2 . ILE A 1 112 ? -29.658 -21.847 2.434 1.00 90.45 ? 88 ILE A CG2 1 ATOM 674 C CD1 . ILE A 1 112 ? -32.355 -20.502 1.513 1.00 94.49 ? 88 ILE A CD1 1 ATOM 675 N N . MET A 1 113 ? -28.604 -22.876 5.432 1.00 92.46 ? 89 MET A N 1 ATOM 676 C CA . MET A 1 113 ? -27.284 -22.815 6.044 1.00 92.38 ? 89 MET A CA 1 ATOM 677 C C . MET A 1 113 ? -26.214 -23.345 5.098 1.00 90.99 ? 89 MET A C 1 ATOM 678 O O . MET A 1 113 ? -26.258 -24.500 4.680 1.00 90.37 ? 89 MET A O 1 ATOM 679 C CB . MET A 1 113 ? -27.270 -23.603 7.352 1.00 93.51 ? 89 MET A CB 1 ATOM 680 C CG . MET A 1 113 ? -28.219 -23.062 8.403 1.00 96.13 ? 89 MET A CG 1 ATOM 681 S SD . MET A 1 113 ? -28.219 -24.057 9.900 1.00 117.36 ? 89 MET A SD 1 ATOM 682 C CE . MET A 1 113 ? -26.467 -24.132 10.244 1.00 71.92 ? 89 MET A CE 1 ATOM 683 N N . THR A 1 114 ? -25.254 -22.491 4.763 1.00 91.24 ? 90 THR A N 1 ATOM 684 C CA . THR A 1 114 ? -24.203 -22.854 3.825 1.00 90.28 ? 90 THR A CA 1 ATOM 685 C C . THR A 1 114 ? -22.895 -23.114 4.551 1.00 91.44 ? 90 THR A C 1 ATOM 686 O O . THR A 1 114 ? -22.447 -22.293 5.343 1.00 93.36 ? 90 THR A O 1 ATOM 687 C CB . THR A 1 114 ? -23.977 -21.748 2.788 1.00 90.09 ? 90 THR A CB 1 ATOM 688 O OG1 . THR A 1 114 ? -25.196 -21.507 2.075 1.00 90.58 ? 90 THR A OG1 1 ATOM 689 C CG2 . THR A 1 114 ? -22.892 -22.152 1.805 1.00 88.10 ? 90 THR A CG2 1 ATOM 690 N N . GLY A 1 115 ? -22.282 -24.259 4.277 1.00 90.26 ? 91 GLY A N 1 ATOM 691 C CA . GLY A 1 115 ? -21.023 -24.602 4.910 1.00 91.59 ? 91 GLY A CA 1 ATOM 692 C C . GLY A 1 115 ? -19.834 -24.400 3.991 1.00 90.72 ? 91 GLY A C 1 ATOM 693 O O . GLY A 1 115 ? -19.985 -23.958 2.852 1.00 90.36 ? 91 GLY A O 1 ATOM 694 N N . ASP A 1 116 ? -18.646 -24.723 4.492 1.00 89.90 ? 92 ASP A N 1 ATOM 695 C CA . ASP A 1 116 ? -17.426 -24.599 3.706 1.00 87.04 ? 92 ASP A CA 1 ATOM 696 C C . ASP A 1 116 ? -17.124 -25.876 2.942 1.00 85.11 ? 92 ASP A C 1 ATOM 697 O O . ASP A 1 116 ? -17.727 -26.918 3.186 1.00 85.22 ? 92 ASP A O 1 ATOM 698 C CB . ASP A 1 116 ? -16.238 -24.258 4.605 1.00 88.34 ? 92 ASP A CB 1 ATOM 699 C CG . ASP A 1 116 ? -16.105 -22.776 4.854 1.00 91.05 ? 92 ASP A CG 1 ATOM 700 O OD1 . ASP A 1 116 ? -16.306 -21.997 3.902 1.00 91.24 ? 92 ASP A OD1 1 ATOM 701 O OD2 . ASP A 1 116 ? -15.798 -22.388 6.000 1.00 94.26 ? 92 ASP A OD2 1 ATOM 702 N N . ILE A 1 117 ? -16.178 -25.778 2.017 1.00 83.21 ? 93 ILE A N 1 ATOM 703 C CA . ILE A 1 117 ? -15.695 -26.928 1.266 1.00 81.38 ? 93 ILE A CA 1 ATOM 704 C C . ILE A 1 117 ? -14.270 -27.266 1.699 1.00 81.36 ? 93 ILE A C 1 ATOM 705 O O . ILE A 1 117 ? -13.445 -26.374 1.886 1.00 82.09 ? 93 ILE A O 1 ATOM 706 C CB . ILE A 1 117 ? -15.705 -26.652 -0.249 1.00 80.38 ? 93 ILE A CB 1 ATOM 707 C CG1 . ILE A 1 117 ? -14.965 -25.350 -0.562 1.00 80.58 ? 93 ILE A CG1 1 ATOM 708 C CG2 . ILE A 1 117 ? -17.132 -26.571 -0.771 1.00 80.64 ? 93 ILE A CG2 1 ATOM 709 C CD1 . ILE A 1 117 ? -14.621 -25.157 -2.015 1.00 49.58 ? 93 ILE A CD1 1 ATOM 710 N N . LYS A 1 118 ? -13.984 -28.551 1.872 1.00 80.20 ? 94 LYS A N 1 ATOM 711 C CA . LYS A 1 118 ? -12.631 -28.998 2.199 1.00 79.58 ? 94 LYS A CA 1 ATOM 712 C C . LYS A 1 118 ? -12.354 -30.354 1.556 1.00 77.69 ? 94 LYS A C 1 ATOM 713 O O . LYS A 1 118 ? -13.197 -31.249 1.597 1.00 78.10 ? 94 LYS A O 1 ATOM 714 C CB . LYS A 1 118 ? -12.425 -29.065 3.716 1.00 81.62 ? 94 LYS A CB 1 ATOM 715 C CG . LYS A 1 118 ? -12.213 -27.711 4.379 1.00 82.69 ? 94 LYS A CG 1 ATOM 716 C CD . LYS A 1 118 ? -12.060 -27.831 5.885 1.00 85.78 ? 94 LYS A CD 1 ATOM 717 C CE . LYS A 1 118 ? -11.917 -26.457 6.528 1.00 87.87 ? 94 LYS A CE 1 ATOM 718 N NZ . LYS A 1 118 ? -11.774 -26.531 8.008 1.00 91.49 ? 94 LYS A NZ 1 ATOM 719 N N . GLY A 1 119 ? -11.176 -30.500 0.957 1.00 75.71 ? 95 GLY A N 1 ATOM 720 C CA . GLY A 1 119 ? -10.832 -31.726 0.261 1.00 73.89 ? 95 GLY A CA 1 ATOM 721 C C . GLY A 1 119 ? -11.776 -32.002 -0.891 1.00 71.95 ? 95 GLY A C 1 ATOM 722 O O . GLY A 1 119 ? -12.338 -31.081 -1.476 1.00 71.28 ? 95 GLY A O 1 ATOM 723 N N . ILE A 1 120 ? -11.959 -33.278 -1.204 1.00 71.84 ? 96 ILE A N 1 ATOM 724 C CA . ILE A 1 120 ? -12.811 -33.687 -2.313 1.00 71.09 ? 96 ILE A CA 1 ATOM 725 C C . ILE A 1 120 ? -14.271 -33.326 -2.077 1.00 71.17 ? 96 ILE A C 1 ATOM 726 O O . ILE A 1 120 ? -14.838 -33.645 -1.035 1.00 72.74 ? 96 ILE A O 1 ATOM 727 C CB . ILE A 1 120 ? -12.716 -35.202 -2.550 1.00 72.26 ? 96 ILE A CB 1 ATOM 728 C CG1 . ILE A 1 120 ? -11.253 -35.630 -2.650 1.00 72.52 ? 96 ILE A CG1 1 ATOM 729 C CG2 . ILE A 1 120 ? -13.488 -35.602 -3.799 1.00 71.37 ? 96 ILE A CG2 1 ATOM 730 C CD1 . ILE A 1 120 ? -11.066 -37.100 -2.904 1.00 73.70 ? 96 ILE A CD1 1 ATOM 731 N N . MET A 1 121 ? -14.876 -32.666 -3.056 1.00 69.77 ? 97 MET A N 1 ATOM 732 C CA . MET A 1 121 ? -16.286 -32.335 -2.967 1.00 70.28 ? 97 MET A CA 1 ATOM 733 C C . MET A 1 121 ? -17.099 -33.574 -3.290 1.00 71.42 ? 97 MET A C 1 ATOM 734 O O . MET A 1 121 ? -17.209 -33.968 -4.449 1.00 71.40 ? 97 MET A O 1 ATOM 735 C CB . MET A 1 121 ? -16.629 -31.198 -3.923 1.00 69.35 ? 97 MET A CB 1 ATOM 736 C CG . MET A 1 121 ? -15.703 -30.004 -3.783 1.00 68.81 ? 97 MET A CG 1 ATOM 737 S SD . MET A 1 121 ? -16.225 -28.577 -4.736 1.00 56.00 ? 97 MET A SD 1 ATOM 738 C CE . MET A 1 121 ? -14.760 -27.580 -4.609 1.00 62.11 ? 97 MET A CE 1 ATOM 739 N N . GLN A 1 122 ? -17.649 -34.199 -2.255 1.00 72.66 ? 98 GLN A N 1 ATOM 740 C CA . GLN A 1 122 ? -18.443 -35.406 -2.430 1.00 74.16 ? 98 GLN A CA 1 ATOM 741 C C . GLN A 1 122 ? -19.724 -35.106 -3.200 1.00 75.05 ? 98 GLN A C 1 ATOM 742 O O . GLN A 1 122 ? -20.308 -34.034 -3.056 1.00 74.59 ? 98 GLN A O 1 ATOM 743 C CB . GLN A 1 122 ? -18.769 -36.033 -1.075 1.00 75.51 ? 98 GLN A CB 1 ATOM 744 C CG . GLN A 1 122 ? -17.555 -36.573 -0.325 1.00 75.54 ? 98 GLN A CG 1 ATOM 745 C CD . GLN A 1 122 ? -17.015 -37.854 -0.927 1.00 75.44 ? 98 GLN A CD 1 ATOM 746 O OE1 . GLN A 1 122 ? -17.651 -38.466 -1.781 1.00 75.55 ? 98 GLN A OE1 1 ATOM 747 N NE2 . GLN A 1 122 ? -15.835 -38.267 -0.481 1.00 75.62 ? 98 GLN A NE2 1 ATOM 748 N N . ALA A 1 123 ? -20.148 -36.060 -4.022 1.00 77.01 ? 99 ALA A N 1 ATOM 749 C CA . ALA A 1 123 ? -21.323 -35.886 -4.865 1.00 78.68 ? 99 ALA A CA 1 ATOM 750 C C . ALA A 1 123 ? -22.605 -36.231 -4.122 1.00 81.88 ? 99 ALA A C 1 ATOM 751 O O . ALA A 1 123 ? -22.582 -36.952 -3.129 1.00 82.68 ? 99 ALA A O 1 ATOM 752 C CB . ALA A 1 123 ? -21.196 -36.730 -6.115 1.00 78.93 ? 99 ALA A CB 1 ATOM 753 N N . GLY A 1 124 ? -23.724 -35.713 -4.616 1.00 84.17 ? 100 GLY A N 1 ATOM 754 C CA . GLY A 1 124 ? -25.026 -35.999 -4.043 1.00 87.18 ? 100 GLY A CA 1 ATOM 755 C C . GLY A 1 124 ? -25.918 -36.729 -5.028 1.00 90.20 ? 100 GLY A C 1 ATOM 756 O O . GLY A 1 124 ? -25.973 -36.377 -6.205 1.00 90.14 ? 100 GLY A O 1 ATOM 757 N N . LYS A 1 125 ? -26.623 -37.746 -4.551 1.00 93.07 ? 101 LYS A N 1 ATOM 758 C CA . LYS A 1 125 ? -27.424 -38.569 -5.445 1.00 98.10 ? 101 LYS A CA 1 ATOM 759 C C . LYS A 1 125 ? -28.715 -37.882 -5.857 1.00 100.45 ? 101 LYS A C 1 ATOM 760 O O . LYS A 1 125 ? -29.207 -38.090 -6.965 1.00 102.28 ? 101 LYS A O 1 ATOM 761 C CB . LYS A 1 125 ? -27.693 -39.941 -4.830 1.00 102.79 ? 101 LYS A CB 1 ATOM 762 C CG . LYS A 1 125 ? -26.425 -40.745 -4.626 1.00 103.43 ? 101 LYS A CG 1 ATOM 763 C CD . LYS A 1 125 ? -25.576 -40.708 -5.885 1.00 102.28 ? 101 LYS A CD 1 ATOM 764 C CE . LYS A 1 125 ? -24.116 -40.981 -5.585 1.00 100.13 ? 101 LYS A CE 1 ATOM 765 N NZ . LYS A 1 125 ? -23.276 -40.762 -6.793 1.00 97.80 ? 101 LYS A NZ 1 ATOM 766 N N . ARG A 1 126 ? -29.256 -37.054 -4.971 1.00 101.08 ? 102 ARG A N 1 ATOM 767 C CA . ARG A 1 126 ? -30.429 -36.264 -5.317 1.00 103.73 ? 102 ARG A CA 1 ATOM 768 C C . ARG A 1 126 ? -30.027 -35.183 -6.303 1.00 105.19 ? 102 ARG A C 1 ATOM 769 O O . ARG A 1 126 ? -28.844 -35.011 -6.599 1.00 102.71 ? 102 ARG A O 1 ATOM 770 C CB . ARG A 1 126 ? -31.048 -35.628 -4.073 1.00 102.37 ? 102 ARG A CB 1 ATOM 771 C CG . ARG A 1 126 ? -31.550 -36.631 -3.055 1.00 103.71 ? 102 ARG A CG 1 ATOM 772 C CD . ARG A 1 126 ? -32.602 -37.543 -3.652 1.00 106.44 ? 102 ARG A CD 1 ATOM 773 N NE . ARG A 1 126 ? -33.937 -36.965 -3.554 1.00 107.93 ? 102 ARG A NE 1 ATOM 774 C CZ . ARG A 1 126 ? -34.795 -37.243 -2.580 1.00 109.79 ? 102 ARG A CZ 1 ATOM 775 N NH1 . ARG A 1 126 ? -34.458 -38.095 -1.623 1.00 110.14 ? 102 ARG A NH1 1 ATOM 776 N NH2 . ARG A 1 126 ? -35.991 -36.673 -2.561 1.00 111.61 ? 102 ARG A NH2 1 ATOM 777 N N . SER A 1 127 ? -31.013 -34.457 -6.815 1.00 110.08 ? 103 SER A N 1 ATOM 778 C CA . SER A 1 127 ? -30.743 -33.362 -7.735 1.00 111.59 ? 103 SER A CA 1 ATOM 779 C C . SER A 1 127 ? -31.950 -32.437 -7.816 1.00 113.83 ? 103 SER A C 1 ATOM 780 O O . SER A 1 127 ? -33.091 -32.895 -7.805 1.00 116.84 ? 103 SER A O 1 ATOM 781 C CB . SER A 1 127 ? -30.391 -33.903 -9.123 1.00 113.85 ? 103 SER A CB 1 ATOM 782 O OG . SER A 1 127 ? -29.830 -32.890 -9.941 1.00 113.62 ? 103 SER A OG 1 ATOM 783 N N . LEU A 1 128 ? -31.692 -31.136 -7.893 1.00 112.80 ? 104 LEU A N 1 ATOM 784 C CA . LEU A 1 128 ? -32.760 -30.141 -7.936 1.00 115.62 ? 104 LEU A CA 1 ATOM 785 C C . LEU A 1 128 ? -33.611 -30.261 -9.200 1.00 118.97 ? 104 LEU A C 1 ATOM 786 O O . LEU A 1 128 ? -33.109 -30.627 -10.260 1.00 119.15 ? 104 LEU A O 1 ATOM 787 C CB . LEU A 1 128 ? -32.169 -28.735 -7.838 1.00 115.99 ? 104 LEU A CB 1 ATOM 788 C CG . LEU A 1 128 ? -31.388 -28.428 -6.560 1.00 116.36 ? 104 LEU A CG 1 ATOM 789 C CD1 . LEU A 1 128 ? -30.758 -27.046 -6.617 1.00 116.09 ? 104 LEU A CD1 1 ATOM 790 C CD2 . LEU A 1 128 ? -32.295 -28.548 -5.351 1.00 119.07 ? 104 LEU A CD2 1 ATOM 791 N N . ARG A 1 129 ? -34.901 -29.959 -9.075 1.00 121.51 ? 105 ARG A N 1 ATOM 792 C CA . ARG A 1 129 ? -35.803 -29.918 -10.223 1.00 124.31 ? 105 ARG A CA 1 ATOM 793 C C . ARG A 1 129 ? -36.297 -28.494 -10.454 1.00 122.40 ? 105 ARG A C 1 ATOM 794 O O . ARG A 1 129 ? -36.754 -27.835 -9.521 1.00 121.51 ? 105 ARG A O 1 ATOM 795 C CB . ARG A 1 129 ? -37.002 -30.849 -10.016 1.00 129.67 ? 105 ARG A CB 1 ATOM 796 C CG . ARG A 1 129 ? -36.833 -32.255 -10.584 1.00 132.02 ? 105 ARG A CG 1 ATOM 797 C CD . ARG A 1 129 ? -35.939 -33.121 -9.709 1.00 130.38 ? 105 ARG A CD 1 ATOM 798 N NE . ARG A 1 129 ? -35.744 -34.455 -10.274 1.00 132.66 ? 105 ARG A NE 1 ATOM 799 C CZ . ARG A 1 129 ? -36.557 -35.487 -10.065 1.00 136.88 ? 105 ARG A CZ 1 ATOM 800 N NH1 . ARG A 1 129 ? -37.632 -35.349 -9.300 1.00 139.56 ? 105 ARG A NH1 1 ATOM 801 N NH2 . ARG A 1 129 ? -36.293 -36.661 -10.622 1.00 138.55 ? 105 ARG A NH2 1 ATOM 802 N N . PRO A 1 130 ? -36.208 -28.014 -11.704 1.00 121.92 ? 106 PRO A N 1 ATOM 803 C CA . PRO A 1 130 ? -36.692 -26.671 -12.043 1.00 121.91 ? 106 PRO A CA 1 ATOM 804 C C . PRO A 1 130 ? -38.217 -26.620 -12.079 1.00 124.47 ? 106 PRO A C 1 ATOM 805 O O . PRO A 1 130 ? -38.852 -27.617 -12.421 1.00 126.56 ? 106 PRO A O 1 ATOM 806 C CB . PRO A 1 130 ? -36.123 -26.444 -13.445 1.00 122.53 ? 106 PRO A CB 1 ATOM 807 C CG . PRO A 1 130 ? -35.993 -27.812 -14.017 1.00 123.43 ? 106 PRO A CG 1 ATOM 808 C CD . PRO A 1 130 ? -35.612 -28.698 -12.865 1.00 121.45 ? 106 PRO A CD 1 ATOM 809 N N . GLN A 1 131 ? -38.795 -25.476 -11.725 1.00 124.35 ? 107 GLN A N 1 ATOM 810 C CA . GLN A 1 131 ? -40.246 -25.325 -11.733 1.00 127.44 ? 107 GLN A CA 1 ATOM 811 C C . GLN A 1 131 ? -40.687 -24.242 -12.715 1.00 130.50 ? 107 GLN A C 1 ATOM 812 O O . GLN A 1 131 ? -40.828 -23.075 -12.348 1.00 130.80 ? 107 GLN A O 1 ATOM 813 C CB . GLN A 1 131 ? -40.762 -25.004 -10.330 1.00 125.76 ? 107 GLN A CB 1 ATOM 814 C CG . GLN A 1 131 ? -42.264 -25.149 -10.189 1.00 128.91 ? 107 GLN A CG 1 ATOM 815 C CD . GLN A 1 131 ? -42.730 -26.558 -10.482 1.00 129.87 ? 107 GLN A CD 1 ATOM 816 O OE1 . GLN A 1 131 ? -42.170 -27.527 -9.969 1.00 127.38 ? 107 GLN A OE1 1 ATOM 817 N NE2 . GLN A 1 131 ? -43.753 -26.683 -11.319 1.00 133.92 ? 107 GLN A NE2 1 ATOM 818 N N . HIS A 1 153 ? -37.398 -25.932 16.018 1.00 139.79 ? 129 HIS A N 1 ATOM 819 C CA . HIS A 1 153 ? -38.430 -25.101 15.410 1.00 138.92 ? 129 HIS A CA 1 ATOM 820 C C . HIS A 1 153 ? -38.308 -25.059 13.893 1.00 134.03 ? 129 HIS A C 1 ATOM 821 O O . HIS A 1 153 ? -38.765 -25.966 13.199 1.00 133.73 ? 129 HIS A O 1 ATOM 822 C CB . HIS A 1 153 ? -38.374 -23.678 15.967 1.00 139.81 ? 129 HIS A CB 1 ATOM 823 C CG . HIS A 1 153 ? -38.955 -23.544 17.337 1.00 98.99 ? 129 HIS A CG 1 ATOM 824 N ND1 . HIS A 1 153 ? -40.256 -23.147 17.556 1.00 101.40 ? 129 HIS A ND1 1 ATOM 825 C CD2 . HIS A 1 153 ? -38.414 -23.757 18.559 1.00 100.98 ? 129 HIS A CD2 1 ATOM 826 C CE1 . HIS A 1 153 ? -40.492 -23.120 18.855 1.00 104.59 ? 129 HIS A CE1 1 ATOM 827 N NE2 . HIS A 1 153 ? -39.390 -23.486 19.487 1.00 106.96 ? 129 HIS A NE2 1 ATOM 828 N N . ASN A 1 154 ? -37.693 -23.992 13.389 1.00 130.40 ? 130 ASN A N 1 ATOM 829 C CA . ASN A 1 154 ? -37.562 -23.778 11.953 1.00 125.38 ? 130 ASN A CA 1 ATOM 830 C C . ASN A 1 154 ? -36.739 -24.864 11.276 1.00 121.47 ? 130 ASN A C 1 ATOM 831 O O . ASN A 1 154 ? -35.813 -25.415 11.870 1.00 120.56 ? 130 ASN A O 1 ATOM 832 C CB . ASN A 1 154 ? -36.936 -22.413 11.670 1.00 122.90 ? 130 ASN A CB 1 ATOM 833 C CG . ASN A 1 154 ? -37.623 -21.290 12.417 1.00 123.93 ? 130 ASN A CG 1 ATOM 834 O OD1 . ASN A 1 154 ? -38.108 -21.474 13.533 1.00 125.68 ? 130 ASN A OD1 1 ATOM 835 N ND2 . ASN A 1 154 ? -37.670 -20.115 11.801 1.00 123.01 ? 130 ASN A ND2 1 ATOM 836 N N . GLN A 1 155 ? -37.074 -25.168 10.028 1.00 119.43 ? 131 GLN A N 1 ATOM 837 C CA . GLN A 1 155 ? -36.348 -26.192 9.293 1.00 116.61 ? 131 GLN A CA 1 ATOM 838 C C . GLN A 1 155 ? -34.987 -25.684 8.846 1.00 112.85 ? 131 GLN A C 1 ATOM 839 O O . GLN A 1 155 ? -34.732 -24.482 8.852 1.00 113.10 ? 131 GLN A O 1 ATOM 840 C CB . GLN A 1 155 ? -37.162 -26.683 8.099 1.00 117.04 ? 131 GLN A CB 1 ATOM 841 C CG . GLN A 1 155 ? -38.340 -27.550 8.493 1.00 120.21 ? 131 GLN A CG 1 ATOM 842 C CD . GLN A 1 155 ? -37.925 -28.713 9.370 1.00 121.20 ? 131 GLN A CD 1 ATOM 843 O OE1 . GLN A 1 155 ? -36.884 -29.333 9.147 1.00 119.46 ? 131 GLN A OE1 1 ATOM 844 N NE2 . GLN A 1 155 ? -38.733 -29.010 10.380 1.00 124.36 ? 131 GLN A NE2 1 ATOM 845 N N . THR A 1 156 ? -34.115 -26.606 8.458 1.00 109.63 ? 132 THR A N 1 ATOM 846 C CA . THR A 1 156 ? -32.748 -26.248 8.116 1.00 105.76 ? 132 THR A CA 1 ATOM 847 C C . THR A 1 156 ? -32.295 -26.875 6.801 1.00 100.77 ? 132 THR A C 1 ATOM 848 O O . THR A 1 156 ? -32.429 -28.082 6.603 1.00 101.15 ? 132 THR A O 1 ATOM 849 C CB . THR A 1 156 ? -31.789 -26.642 9.249 1.00 107.95 ? 132 THR A CB 1 ATOM 850 O OG1 . THR A 1 156 ? -31.983 -25.756 10.359 1.00 110.38 ? 132 THR A OG1 1 ATOM 851 C CG2 . THR A 1 156 ? -30.351 -26.555 8.788 1.00 106.24 ? 132 THR A CG2 1 ATOM 852 N N . PHE A 1 157 ? -31.768 -26.043 5.904 1.00 95.68 ? 133 PHE A N 1 ATOM 853 C CA . PHE A 1 157 ? -31.247 -26.519 4.626 1.00 90.51 ? 133 PHE A CA 1 ATOM 854 C C . PHE A 1 157 ? -29.728 -26.373 4.567 1.00 86.48 ? 133 PHE A C 1 ATOM 855 O O . PHE A 1 157 ? -29.202 -25.265 4.456 1.00 85.20 ? 133 PHE A O 1 ATOM 856 C CB . PHE A 1 157 ? -31.894 -25.773 3.459 1.00 89.02 ? 133 PHE A CB 1 ATOM 857 C CG . PHE A 1 157 ? -31.813 -26.510 2.156 1.00 86.54 ? 133 PHE A CG 1 ATOM 858 C CD1 . PHE A 1 157 ? -32.684 -27.551 1.887 1.00 87.31 ? 133 PHE A CD1 1 ATOM 859 C CD2 . PHE A 1 157 ? -30.867 -26.168 1.204 1.00 84.15 ? 133 PHE A CD2 1 ATOM 860 C CE1 . PHE A 1 157 ? -32.618 -28.236 0.694 1.00 86.39 ? 133 PHE A CE1 1 ATOM 861 C CE2 . PHE A 1 157 ? -30.794 -26.853 0.006 1.00 82.99 ? 133 PHE A CE2 1 ATOM 862 C CZ . PHE A 1 157 ? -31.673 -27.888 -0.249 1.00 84.28 ? 133 PHE A CZ 1 ATOM 863 N N . LEU A 1 158 ? -29.031 -27.503 4.628 1.00 84.34 ? 134 LEU A N 1 ATOM 864 C CA . LEU A 1 158 ? -27.581 -27.498 4.776 1.00 81.53 ? 134 LEU A CA 1 ATOM 865 C C . LEU A 1 158 ? -26.822 -27.542 3.453 1.00 78.81 ? 134 LEU A C 1 ATOM 866 O O . LEU A 1 158 ? -26.604 -28.611 2.891 1.00 78.14 ? 134 LEU A O 1 ATOM 867 C CB . LEU A 1 158 ? -27.134 -28.660 5.669 1.00 81.23 ? 134 LEU A CB 1 ATOM 868 C CG . LEU A 1 158 ? -27.774 -28.756 7.056 1.00 82.56 ? 134 LEU A CG 1 ATOM 869 C CD1 . LEU A 1 158 ? -28.991 -29.674 7.046 1.00 83.72 ? 134 LEU A CD1 1 ATOM 870 C CD2 . LEU A 1 158 ? -26.760 -29.219 8.088 1.00 82.64 ? 134 LEU A CD2 1 ATOM 871 N N . ILE A 1 159 ? -26.405 -26.378 2.968 1.00 77.91 ? 135 ILE A N 1 ATOM 872 C CA . ILE A 1 159 ? -25.559 -26.308 1.784 1.00 76.23 ? 135 ILE A CA 1 ATOM 873 C C . ILE A 1 159 ? -24.110 -26.549 2.171 1.00 76.08 ? 135 ILE A C 1 ATOM 874 O O . ILE A 1 159 ? -23.580 -25.859 3.036 1.00 77.02 ? 135 ILE A O 1 ATOM 875 C CB . ILE A 1 159 ? -25.629 -24.931 1.128 1.00 76.17 ? 135 ILE A CB 1 ATOM 876 C CG1 . ILE A 1 159 ? -27.071 -24.577 0.776 1.00 77.56 ? 135 ILE A CG1 1 ATOM 877 C CG2 . ILE A 1 159 ? -24.751 -24.893 -0.104 1.00 74.59 ? 135 ILE A CG2 1 ATOM 878 C CD1 . ILE A 1 159 ? -27.204 -23.238 0.101 1.00 77.83 ? 135 ILE A CD1 1 ATOM 879 N N . ASP A 1 160 ? -23.474 -27.521 1.526 1.00 75.33 ? 136 ASP A N 1 ATOM 880 C CA . ASP A 1 160 ? -22.076 -27.848 1.805 1.00 75.09 ? 136 ASP A CA 1 ATOM 881 C C . ASP A 1 160 ? -21.809 -28.124 3.279 1.00 77.88 ? 136 ASP A C 1 ATOM 882 O O . ASP A 1 160 ? -22.652 -28.682 3.977 1.00 79.27 ? 136 ASP A O 1 ATOM 883 C CB . ASP A 1 160 ? -21.143 -26.743 1.304 1.00 73.12 ? 136 ASP A CB 1 ATOM 884 C CG . ASP A 1 160 ? -20.802 -26.892 -0.158 1.00 70.70 ? 136 ASP A CG 1 ATOM 885 O OD1 . ASP A 1 160 ? -20.424 -28.006 -0.571 1.00 69.49 ? 136 ASP A OD1 1 ATOM 886 O OD2 . ASP A 1 160 ? -20.911 -25.894 -0.895 1.00 70.34 ? 136 ASP A OD2 1 ATOM 887 N N . GLY A 1 161 ? -20.631 -27.718 3.743 1.00 79.36 ? 137 GLY A N 1 ATOM 888 C CA . GLY A 1 161 ? -20.209 -28.000 5.100 1.00 82.97 ? 137 GLY A CA 1 ATOM 889 C C . GLY A 1 161 ? -19.656 -29.404 5.198 1.00 84.97 ? 137 GLY A C 1 ATOM 890 O O . GLY A 1 161 ? -19.409 -30.045 4.179 1.00 83.68 ? 137 GLY A O 1 ATOM 891 N N . PRO A 1 162 ? -19.460 -29.891 6.429 1.00 88.60 ? 138 PRO A N 1 ATOM 892 C CA . PRO A 1 162 ? -18.948 -31.244 6.650 1.00 90.67 ? 138 PRO A CA 1 ATOM 893 C C . PRO A 1 162 ? -20.069 -32.270 6.670 1.00 93.59 ? 138 PRO A C 1 ATOM 894 O O . PRO A 1 162 ? -21.244 -31.905 6.655 1.00 94.03 ? 138 PRO A O 1 ATOM 895 C CB . PRO A 1 162 ? -18.331 -31.142 8.040 1.00 92.81 ? 138 PRO A CB 1 ATOM 896 C CG . PRO A 1 162 ? -19.209 -30.164 8.741 1.00 93.64 ? 138 PRO A CG 1 ATOM 897 C CD . PRO A 1 162 ? -19.627 -29.154 7.693 1.00 91.03 ? 138 PRO A CD 1 ATOM 898 N N . GLU A 1 163 ? -19.699 -33.545 6.712 1.00 96.25 ? 139 GLU A N 1 ATOM 899 C CA . GLU A 1 163 ? -20.672 -34.631 6.744 1.00 99.79 ? 139 GLU A CA 1 ATOM 900 C C . GLU A 1 163 ? -21.480 -34.639 8.040 1.00 105.03 ? 139 GLU A C 1 ATOM 901 O O . GLU A 1 163 ? -21.112 -33.984 9.014 1.00 106.66 ? 139 GLU A O 1 ATOM 902 C CB . GLU A 1 163 ? -19.963 -35.973 6.567 1.00 100.25 ? 139 GLU A CB 1 ATOM 903 C CG . GLU A 1 163 ? -19.191 -36.104 5.260 1.00 97.40 ? 139 GLU A CG 1 ATOM 904 C CD . GLU A 1 163 ? -20.092 -36.318 4.055 1.00 95.96 ? 139 GLU A CD 1 ATOM 905 O OE1 . GLU A 1 163 ? -21.301 -36.572 4.237 1.00 97.31 ? 139 GLU A OE1 1 ATOM 906 O OE2 . GLU A 1 163 ? -19.583 -36.238 2.918 1.00 93.95 ? 139 GLU A OE2 1 ATOM 907 N N . THR A 1 164 ? -22.582 -35.383 8.040 1.00 108.64 ? 140 THR A N 1 ATOM 908 C CA . THR A 1 164 ? -23.420 -35.533 9.228 1.00 113.92 ? 140 THR A CA 1 ATOM 909 C C . THR A 1 164 ? -24.318 -36.760 9.121 1.00 117.41 ? 140 THR A C 1 ATOM 910 O O . THR A 1 164 ? -24.516 -37.298 8.035 1.00 116.70 ? 140 THR A O 1 ATOM 911 C CB . THR A 1 164 ? -24.307 -34.300 9.459 1.00 114.74 ? 140 THR A CB 1 ATOM 912 O OG1 . THR A 1 164 ? -25.218 -34.566 10.531 1.00 118.19 ? 140 THR A OG1 1 ATOM 913 C CG2 . THR A 1 164 ? -25.097 -33.974 8.205 1.00 113.14 ? 140 THR A CG2 1 ATOM 914 N N . ALA A 1 165 ? -24.864 -37.196 10.250 1.00 121.43 ? 141 ALA A N 1 ATOM 915 C CA . ALA A 1 165 ? -25.779 -38.332 10.257 1.00 124.94 ? 141 ALA A CA 1 ATOM 916 C C . ALA A 1 165 ? -27.205 -37.882 9.948 1.00 126.00 ? 141 ALA A C 1 ATOM 917 O O . ALA A 1 165 ? -28.005 -38.654 9.423 1.00 127.46 ? 141 ALA A O 1 ATOM 918 C CB . ALA A 1 165 ? -25.722 -39.062 11.594 1.00 128.89 ? 141 ALA A CB 1 ATOM 919 N N . GLU A 1 166 ? -27.514 -36.630 10.277 1.00 125.40 ? 142 GLU A N 1 ATOM 920 C CA . GLU A 1 166 ? -28.838 -36.074 10.018 1.00 125.50 ? 142 GLU A CA 1 ATOM 921 C C . GLU A 1 166 ? -29.088 -35.916 8.524 1.00 121.80 ? 142 GLU A C 1 ATOM 922 O O . GLU A 1 166 ? -30.232 -35.981 8.069 1.00 122.87 ? 142 GLU A O 1 ATOM 923 C CB . GLU A 1 166 ? -29.005 -34.717 10.704 1.00 125.78 ? 142 GLU A CB 1 ATOM 924 C CG . GLU A 1 166 ? -28.165 -33.606 10.105 1.00 122.88 ? 142 GLU A CG 1 ATOM 925 C CD . GLU A 1 166 ? -28.491 -32.248 10.681 1.00 123.32 ? 142 GLU A CD 1 ATOM 926 O OE1 . GLU A 1 166 ? -29.347 -31.548 10.102 1.00 122.63 ? 142 GLU A OE1 1 ATOM 927 O OE2 . GLU A 1 166 ? -27.882 -31.878 11.707 1.00 124.80 ? 142 GLU A OE2 1 ATOM 928 N N . CYS A 1 167 ? -28.015 -35.699 7.767 1.00 117.34 ? 143 CYS A N 1 ATOM 929 C CA . CYS A 1 167 ? -28.115 -35.542 6.323 1.00 112.73 ? 143 CYS A CA 1 ATOM 930 C C . CYS A 1 167 ? -27.023 -36.311 5.594 1.00 109.17 ? 143 CYS A C 1 ATOM 931 O O . CYS A 1 167 ? -25.854 -35.941 5.645 1.00 106.99 ? 143 CYS A O 1 ATOM 932 C CB . CYS A 1 167 ? -28.058 -34.071 5.923 1.00 110.47 ? 143 CYS A CB 1 ATOM 933 S SG . CYS A 1 167 ? -27.707 -33.852 4.176 1.00 81.31 ? 143 CYS A SG 1 ATOM 934 N N . PRO A 1 168 ? -27.410 -37.389 4.904 1.00 108.28 ? 144 PRO A N 1 ATOM 935 C CA . PRO A 1 168 ? -26.477 -38.216 4.138 1.00 106.26 ? 144 PRO A CA 1 ATOM 936 C C . PRO A 1 168 ? -26.158 -37.558 2.806 1.00 101.69 ? 144 PRO A C 1 ATOM 937 O O . PRO A 1 168 ? -26.899 -36.676 2.378 1.00 101.64 ? 144 PRO A O 1 ATOM 938 C CB . PRO A 1 168 ? -27.277 -39.494 3.903 1.00 109.55 ? 144 PRO A CB 1 ATOM 939 C CG . PRO A 1 168 ? -28.691 -39.028 3.843 1.00 110.93 ? 144 PRO A CG 1 ATOM 940 C CD . PRO A 1 168 ? -28.794 -37.891 4.819 1.00 110.63 ? 144 PRO A CD 1 ATOM 941 N N . ASN A 1 169 ? -25.075 -37.978 2.163 1.00 98.26 ? 145 ASN A N 1 ATOM 942 C CA . ASN A 1 169 ? -24.714 -37.424 0.864 1.00 94.13 ? 145 ASN A CA 1 ATOM 943 C C . ASN A 1 169 ? -25.754 -37.784 -0.192 1.00 93.58 ? 145 ASN A C 1 ATOM 944 O O . ASN A 1 169 ? -25.926 -37.072 -1.178 1.00 91.70 ? 145 ASN A O 1 ATOM 945 C CB . ASN A 1 169 ? -23.331 -37.912 0.426 1.00 93.13 ? 145 ASN A CB 1 ATOM 946 C CG . ASN A 1 169 ? -22.233 -37.509 1.392 1.00 93.12 ? 145 ASN A CG 1 ATOM 947 O OD1 . ASN A 1 169 ? -21.814 -38.298 2.236 1.00 95.23 ? 145 ASN A OD1 1 ATOM 948 N ND2 . ASN A 1 169 ? -21.760 -36.276 1.269 1.00 91.28 ? 145 ASN A ND2 1 ATOM 949 N N . THR A 1 170 ? -26.451 -38.892 0.029 1.00 95.47 ? 146 THR A N 1 ATOM 950 C CA . THR A 1 170 ? -27.460 -39.350 -0.915 1.00 95.65 ? 146 THR A CA 1 ATOM 951 C C . THR A 1 170 ? -28.706 -38.477 -0.873 1.00 95.85 ? 146 THR A C 1 ATOM 952 O O . THR A 1 170 ? -29.525 -38.522 -1.785 1.00 96.86 ? 146 THR A O 1 ATOM 953 C CB . THR A 1 170 ? -27.856 -40.811 -0.657 1.00 97.55 ? 146 THR A CB 1 ATOM 954 O OG1 . THR A 1 170 ? -28.869 -41.203 -1.592 1.00 99.01 ? 146 THR A OG1 1 ATOM 955 C CG2 . THR A 1 170 ? -28.388 -40.974 0.750 1.00 99.25 ? 146 THR A CG2 1 ATOM 956 N N . ASN A 1 171 ? -28.847 -37.689 0.189 1.00 95.23 ? 147 ASN A N 1 ATOM 957 C CA . ASN A 1 171 ? -29.967 -36.762 0.303 1.00 95.77 ? 147 ASN A CA 1 ATOM 958 C C . ASN A 1 171 ? -29.599 -35.362 -0.156 1.00 93.13 ? 147 ASN A C 1 ATOM 959 O O . ASN A 1 171 ? -30.445 -34.470 -0.201 1.00 93.88 ? 147 ASN A O 1 ATOM 960 C CB . ASN A 1 171 ? -30.496 -36.713 1.735 1.00 97.30 ? 147 ASN A CB 1 ATOM 961 C CG . ASN A 1 171 ? -31.509 -37.797 2.019 1.00 100.85 ? 147 ASN A CG 1 ATOM 962 O OD1 . ASN A 1 171 ? -31.439 -38.890 1.461 1.00 102.13 ? 147 ASN A OD1 1 ATOM 963 N ND2 . ASN A 1 171 ? -32.467 -37.496 2.886 1.00 102.77 ? 147 ASN A ND2 1 ATOM 964 N N . ARG A 1 172 ? -28.328 -35.173 -0.491 1.00 90.56 ? 148 ARG A N 1 ATOM 965 C CA . ARG A 1 172 ? -27.853 -33.889 -0.982 1.00 87.99 ? 148 ARG A CA 1 ATOM 966 C C . ARG A 1 172 ? -28.040 -33.801 -2.489 1.00 86.73 ? 148 ARG A C 1 ATOM 967 O O . ARG A 1 172 ? -27.960 -34.807 -3.191 1.00 87.46 ? 148 ARG A O 1 ATOM 968 C CB . ARG A 1 172 ? -26.376 -33.697 -0.634 1.00 86.88 ? 148 ARG A CB 1 ATOM 969 C CG . ARG A 1 172 ? -26.065 -33.745 0.854 1.00 88.89 ? 148 ARG A CG 1 ATOM 970 C CD . ARG A 1 172 ? -26.082 -32.358 1.484 1.00 89.51 ? 148 ARG A CD 1 ATOM 971 N NE . ARG A 1 172 ? -25.898 -32.422 2.933 1.00 91.86 ? 148 ARG A NE 1 ATOM 972 C CZ . ARG A 1 172 ? -25.420 -31.429 3.679 1.00 92.55 ? 148 ARG A CZ 1 ATOM 973 N NH1 . ARG A 1 172 ? -25.063 -30.283 3.117 1.00 91.37 ? 148 ARG A NH1 1 ATOM 974 N NH2 . ARG A 1 172 ? -25.292 -31.586 4.990 1.00 94.37 ? 148 ARG A NH2 1 ATOM 975 N N . ALA A 1 173 ? -28.298 -32.596 -2.985 1.00 85.07 ? 149 ALA A N 1 ATOM 976 C CA . ALA A 1 173 ? -28.368 -32.377 -4.425 1.00 84.43 ? 149 ALA A CA 1 ATOM 977 C C . ALA A 1 173 ? -27.016 -31.903 -4.945 1.00 81.88 ? 149 ALA A C 1 ATOM 978 O O . ALA A 1 173 ? -26.294 -31.180 -4.256 1.00 80.71 ? 149 ALA A O 1 ATOM 979 C CB . ALA A 1 173 ? -29.453 -31.378 -4.767 1.00 85.44 ? 149 ALA A CB 1 ATOM 980 N N . TRP A 1 174 ? -26.681 -32.308 -6.165 1.00 81.36 ? 150 TRP A N 1 ATOM 981 C CA . TRP A 1 174 ? -25.358 -32.048 -6.717 1.00 78.88 ? 150 TRP A CA 1 ATOM 982 C C . TRP A 1 174 ? -25.354 -32.127 -8.240 1.00 78.83 ? 150 TRP A C 1 ATOM 983 O O . TRP A 1 174 ? -26.061 -32.949 -8.822 1.00 80.84 ? 150 TRP A O 1 ATOM 984 C CB . TRP A 1 174 ? -24.362 -33.043 -6.135 1.00 78.42 ? 150 TRP A CB 1 ATOM 985 C CG . TRP A 1 174 ? -23.092 -33.152 -6.892 1.00 77.34 ? 150 TRP A CG 1 ATOM 986 C CD1 . TRP A 1 174 ? -22.007 -32.339 -6.785 1.00 75.77 ? 150 TRP A CD1 1 ATOM 987 C CD2 . TRP A 1 174 ? -22.759 -34.145 -7.866 1.00 78.23 ? 150 TRP A CD2 1 ATOM 988 N NE1 . TRP A 1 174 ? -21.018 -32.759 -7.639 1.00 75.07 ? 150 TRP A NE1 1 ATOM 989 C CE2 . TRP A 1 174 ? -21.456 -33.868 -8.314 1.00 76.40 ? 150 TRP A CE2 1 ATOM 990 C CE3 . TRP A 1 174 ? -23.439 -35.240 -8.406 1.00 80.58 ? 150 TRP A CE3 1 ATOM 991 C CZ2 . TRP A 1 174 ? -20.818 -34.648 -9.277 1.00 76.18 ? 150 TRP A CZ2 1 ATOM 992 C CZ3 . TRP A 1 174 ? -22.804 -36.011 -9.360 1.00 80.45 ? 150 TRP A CZ3 1 ATOM 993 C CH2 . TRP A 1 174 ? -21.508 -35.712 -9.786 1.00 78.20 ? 150 TRP A CH2 1 ATOM 994 N N . ASN A 1 175 ? -24.547 -31.274 -8.868 1.00 76.64 ? 151 ASN A N 1 ATOM 995 C CA . ASN A 1 175 ? -24.474 -31.176 -10.323 1.00 76.79 ? 151 ASN A CA 1 ATOM 996 C C . ASN A 1 175 ? -25.844 -30.931 -10.923 1.00 79.77 ? 151 ASN A C 1 ATOM 997 O O . ASN A 1 175 ? -26.296 -31.676 -11.788 1.00 82.23 ? 151 ASN A O 1 ATOM 998 C CB . ASN A 1 175 ? -23.827 -32.421 -10.932 1.00 76.17 ? 151 ASN A CB 1 ATOM 999 C CG . ASN A 1 175 ? -23.257 -32.163 -12.309 1.00 75.74 ? 151 ASN A CG 1 ATOM 1000 O OD1 . ASN A 1 175 ? -22.880 -31.041 -12.634 1.00 75.02 ? 151 ASN A OD1 1 ATOM 1001 N ND2 . ASN A 1 175 ? -23.184 -33.205 -13.125 1.00 76.49 ? 151 ASN A ND2 1 ATOM 1002 N N . SER A 1 176 ? -26.506 -29.887 -10.437 1.00 80.33 ? 152 SER A N 1 ATOM 1003 C CA . SER A 1 176 ? -27.837 -29.541 -10.904 1.00 83.55 ? 152 SER A CA 1 ATOM 1004 C C . SER A 1 176 ? -27.894 -28.083 -11.340 1.00 83.71 ? 152 SER A C 1 ATOM 1005 O O . SER A 1 176 ? -28.972 -27.509 -11.476 1.00 85.81 ? 152 SER A O 1 ATOM 1006 C CB . SER A 1 176 ? -28.876 -29.818 -9.816 1.00 85.82 ? 152 SER A CB 1 ATOM 1007 O OG . SER A 1 176 ? -28.583 -29.106 -8.628 1.00 85.28 ? 152 SER A OG 1 ATOM 1008 N N . LEU A 1 177 ? -26.724 -27.491 -11.562 1.00 82.05 ? 153 LEU A N 1 ATOM 1009 C CA . LEU A 1 177 ? -26.638 -26.121 -12.064 1.00 82.48 ? 153 LEU A CA 1 ATOM 1010 C C . LEU A 1 177 ? -25.638 -25.990 -13.213 1.00 82.48 ? 153 LEU A C 1 ATOM 1011 O O . LEU A 1 177 ? -24.447 -26.254 -13.044 1.00 79.92 ? 153 LEU A O 1 ATOM 1012 C CB . LEU A 1 177 ? -26.276 -25.154 -10.937 1.00 80.48 ? 153 LEU A CB 1 ATOM 1013 C CG . LEU A 1 177 ? -27.433 -24.786 -10.012 1.00 81.17 ? 153 LEU A CG 1 ATOM 1014 C CD1 . LEU A 1 177 ? -27.010 -23.740 -8.996 1.00 80.29 ? 153 LEU A CD1 1 ATOM 1015 C CD2 . LEU A 1 177 ? -28.604 -24.295 -10.834 1.00 83.81 ? 153 LEU A CD2 1 ATOM 1016 N N . GLU A 1 178 ? -26.132 -25.577 -14.377 1.00 85.79 ? 154 GLU A N 1 ATOM 1017 C CA . GLU A 1 178 ? -25.285 -25.407 -15.552 1.00 87.28 ? 154 GLU A CA 1 ATOM 1018 C C . GLU A 1 178 ? -25.114 -23.937 -15.931 1.00 90.14 ? 154 GLU A C 1 ATOM 1019 O O . GLU A 1 178 ? -25.728 -23.055 -15.333 1.00 91.42 ? 154 GLU A O 1 ATOM 1020 C CB . GLU A 1 178 ? -25.827 -26.210 -16.744 1.00 89.07 ? 154 GLU A CB 1 ATOM 1021 C CG . GLU A 1 178 ? -27.211 -25.788 -17.226 1.00 92.09 ? 154 GLU A CG 1 ATOM 1022 C CD . GLU A 1 178 ? -27.784 -26.733 -18.269 1.00 94.05 ? 154 GLU A CD 1 ATOM 1023 O OE1 . GLU A 1 178 ? -27.139 -27.759 -18.571 1.00 92.71 ? 154 GLU A OE1 1 ATOM 1024 O OE2 . GLU A 1 178 ? -28.884 -26.451 -18.785 1.00 97.35 ? 154 GLU A OE2 1 ATOM 1025 N N . VAL A 1 179 ? -24.269 -23.688 -16.928 1.00 91.88 ? 155 VAL A N 1 ATOM 1026 C CA . VAL A 1 179 ? -23.987 -22.336 -17.394 1.00 94.69 ? 155 VAL A CA 1 ATOM 1027 C C . VAL A 1 179 ? -24.937 -21.930 -18.513 1.00 99.33 ? 155 VAL A C 1 ATOM 1028 O O . VAL A 1 179 ? -25.129 -22.680 -19.469 1.00 100.84 ? 155 VAL A O 1 ATOM 1029 C CB . VAL A 1 179 ? -22.547 -22.231 -17.936 1.00 94.43 ? 155 VAL A CB 1 ATOM 1030 C CG1 . VAL A 1 179 ? -22.293 -20.853 -18.521 1.00 96.81 ? 155 VAL A CG1 1 ATOM 1031 C CG2 . VAL A 1 179 ? -21.543 -22.540 -16.848 1.00 91.43 ? 155 VAL A CG2 1 ATOM 1032 N N . GLU A 1 180 ? -25.534 -20.747 -18.390 1.00 101.41 ? 156 GLU A N 1 ATOM 1033 C CA . GLU A 1 180 ? -26.304 -20.182 -19.491 1.00 105.78 ? 156 GLU A CA 1 ATOM 1034 C C . GLU A 1 180 ? -25.366 -19.424 -20.414 1.00 107.96 ? 156 GLU A C 1 ATOM 1035 O O . GLU A 1 180 ? -25.303 -19.707 -21.612 1.00 110.36 ? 156 GLU A O 1 ATOM 1036 C CB . GLU A 1 180 ? -27.400 -19.245 -18.991 1.00 107.00 ? 156 GLU A CB 1 ATOM 1037 C CG . GLU A 1 180 ? -28.154 -18.543 -20.114 1.00 110.85 ? 156 GLU A CG 1 ATOM 1038 C CD . GLU A 1 180 ? -29.082 -19.473 -20.869 1.00 112.53 ? 156 GLU A CD 1 ATOM 1039 O OE1 . GLU A 1 180 ? -28.857 -19.686 -22.078 1.00 114.30 ? 156 GLU A OE1 1 ATOM 1040 O OE2 . GLU A 1 180 ? -30.043 -19.983 -20.255 1.00 112.63 ? 156 GLU A OE2 1 ATOM 1041 N N . ASP A 1 181 ? -24.633 -18.466 -19.850 1.00 107.88 ? 157 ASP A N 1 ATOM 1042 C CA . ASP A 1 181 ? -23.662 -17.708 -20.639 1.00 109.79 ? 157 ASP A CA 1 ATOM 1043 C C . ASP A 1 181 ? -22.714 -16.891 -19.773 1.00 109.09 ? 157 ASP A C 1 ATOM 1044 O O . ASP A 1 181 ? -22.718 -17.007 -18.553 1.00 106.96 ? 157 ASP A O 1 ATOM 1045 C CB . ASP A 1 181 ? -24.368 -16.782 -21.627 1.00 115.54 ? 157 ASP A CB 1 ATOM 1046 C CG . ASP A 1 181 ? -25.117 -15.669 -20.937 1.00 118.83 ? 157 ASP A CG 1 ATOM 1047 O OD1 . ASP A 1 181 ? -26.277 -15.894 -20.552 1.00 120.26 ? 157 ASP A OD1 1 ATOM 1048 O OD2 . ASP A 1 181 ? -24.547 -14.571 -20.777 1.00 120.53 ? 157 ASP A OD2 1 ATOM 1049 N N . TYR A 1 182 ? -21.908 -16.054 -20.420 1.00 111.35 ? 158 TYR A N 1 ATOM 1050 C CA . TYR A 1 182 ? -20.908 -15.252 -19.723 1.00 111.17 ? 158 TYR A CA 1 ATOM 1051 C C . TYR A 1 182 ? -21.226 -13.764 -19.797 1.00 114.58 ? 158 TYR A C 1 ATOM 1052 O O . TYR A 1 182 ? -21.831 -13.296 -20.761 1.00 117.86 ? 158 TYR A O 1 ATOM 1053 C CB . TYR A 1 182 ? -19.518 -15.514 -20.304 1.00 110.65 ? 158 TYR A CB 1 ATOM 1054 C CG . TYR A 1 182 ? -19.053 -16.942 -20.140 1.00 107.78 ? 158 TYR A CG 1 ATOM 1055 C CD1 . TYR A 1 182 ? -18.196 -17.299 -19.108 1.00 104.89 ? 158 TYR A CD1 1 ATOM 1056 C CD2 . TYR A 1 182 ? -19.476 -17.935 -21.012 1.00 108.26 ? 158 TYR A CD2 1 ATOM 1057 C CE1 . TYR A 1 182 ? -17.771 -18.605 -18.951 1.00 102.37 ? 158 TYR A CE1 1 ATOM 1058 C CE2 . TYR A 1 182 ? -19.057 -19.243 -20.862 1.00 105.80 ? 158 TYR A CE2 1 ATOM 1059 C CZ . TYR A 1 182 ? -18.206 -19.573 -19.829 1.00 103.04 ? 158 TYR A CZ 1 ATOM 1060 O OH . TYR A 1 182 ? -17.786 -20.875 -19.677 1.00 101.27 ? 158 TYR A OH 1 ATOM 1061 N N . ASN A 1 190 ? -18.054 -12.808 -14.284 1.00 87.93 ? 166 ASN A N 1 ATOM 1062 C CA . ASN A 1 190 ? -19.468 -13.025 -14.006 1.00 88.43 ? 166 ASN A CA 1 ATOM 1063 C C . ASN A 1 190 ? -20.094 -14.029 -14.962 1.00 88.78 ? 166 ASN A C 1 ATOM 1064 O O . ASN A 1 190 ? -19.961 -13.905 -16.179 1.00 90.21 ? 166 ASN A O 1 ATOM 1065 C CB . ASN A 1 190 ? -20.232 -11.700 -14.046 1.00 91.46 ? 166 ASN A CB 1 ATOM 1066 C CG . ASN A 1 190 ? -19.844 -10.774 -12.914 1.00 91.76 ? 166 ASN A CG 1 ATOM 1067 O OD1 . ASN A 1 190 ? -20.539 -10.686 -11.903 1.00 91.39 ? 166 ASN A OD1 1 ATOM 1068 N ND2 . ASN A 1 190 ? -18.721 -10.082 -13.073 1.00 92.64 ? 166 ASN A ND2 1 ATOM 1069 N N . ILE A 1 191 ? -20.776 -15.025 -14.404 1.00 88.23 ? 167 ILE A N 1 ATOM 1070 C CA . ILE A 1 191 ? -21.347 -16.097 -15.209 1.00 89.23 ? 167 ILE A CA 1 ATOM 1071 C C . ILE A 1 191 ? -22.825 -16.353 -14.936 1.00 91.82 ? 167 ILE A C 1 ATOM 1072 O O . ILE A 1 191 ? -23.203 -16.742 -13.830 1.00 90.55 ? 167 ILE A O 1 ATOM 1073 C CB . ILE A 1 191 ? -20.586 -17.416 -15.013 1.00 86.21 ? 167 ILE A CB 1 ATOM 1074 C CG1 . ILE A 1 191 ? -19.123 -17.248 -15.419 1.00 85.58 ? 167 ILE A CG1 1 ATOM 1075 C CG2 . ILE A 1 191 ? -21.234 -18.522 -15.823 1.00 86.21 ? 167 ILE A CG2 1 ATOM 1076 C CD1 . ILE A 1 191 ? -18.335 -18.530 -15.416 1.00 82.79 ? 167 ILE A CD1 1 ATOM 1077 N N . TRP A 1 192 ? -23.644 -16.131 -15.963 1.00 95.87 ? 168 TRP A N 1 ATOM 1078 C CA . TRP A 1 192 ? -25.062 -16.471 -15.934 1.00 98.70 ? 168 TRP A CA 1 ATOM 1079 C C . TRP A 1 192 ? -25.259 -17.984 -15.889 1.00 98.48 ? 168 TRP A C 1 ATOM 1080 O O . TRP A 1 192 ? -25.083 -18.672 -16.905 1.00 98.42 ? 168 TRP A O 1 ATOM 1081 C CB . TRP A 1 192 ? -25.774 -15.902 -17.167 1.00 101.88 ? 168 TRP A CB 1 ATOM 1082 C CG . TRP A 1 192 ? -26.504 -14.613 -16.920 1.00 104.05 ? 168 TRP A CG 1 ATOM 1083 C CD1 . TRP A 1 192 ? -26.294 -13.737 -15.898 1.00 103.56 ? 168 TRP A CD1 1 ATOM 1084 C CD2 . TRP A 1 192 ? -27.575 -14.066 -17.704 1.00 107.62 ? 168 TRP A CD2 1 ATOM 1085 N NE1 . TRP A 1 192 ? -27.161 -12.676 -16.000 1.00 107.16 ? 168 TRP A NE1 1 ATOM 1086 C CE2 . TRP A 1 192 ? -27.958 -12.855 -17.100 1.00 109.76 ? 168 TRP A CE2 1 ATOM 1087 C CE3 . TRP A 1 192 ? -28.242 -14.481 -18.860 1.00 109.68 ? 168 TRP A CE3 1 ATOM 1088 C CZ2 . TRP A 1 192 ? -28.978 -12.055 -17.614 1.00 114.27 ? 168 TRP A CZ2 1 ATOM 1089 C CZ3 . TRP A 1 192 ? -29.254 -13.689 -19.367 1.00 114.24 ? 168 TRP A CZ3 1 ATOM 1090 C CH2 . TRP A 1 192 ? -29.613 -12.491 -18.746 1.00 116.49 ? 168 TRP A CH2 1 ATOM 1091 N N . LEU A 1 193 ? -25.628 -18.487 -14.710 1.00 99.25 ? 169 LEU A N 1 ATOM 1092 C CA . LEU A 1 193 ? -25.890 -19.914 -14.515 1.00 100.20 ? 169 LEU A CA 1 ATOM 1093 C C . LEU A 1 193 ? -27.385 -20.237 -14.562 1.00 104.85 ? 169 LEU A C 1 ATOM 1094 O O . LEU A 1 193 ? -28.221 -19.337 -14.513 1.00 107.13 ? 169 LEU A O 1 ATOM 1095 C CB . LEU A 1 193 ? -25.317 -20.380 -13.177 1.00 97.88 ? 169 LEU A CB 1 ATOM 1096 C CG . LEU A 1 193 ? -23.818 -20.206 -12.947 1.00 96.23 ? 169 LEU A CG 1 ATOM 1097 C CD1 . LEU A 1 193 ? -23.450 -20.608 -11.533 1.00 94.34 ? 169 LEU A CD1 1 ATOM 1098 C CD2 . LEU A 1 193 ? -23.043 -21.032 -13.942 1.00 95.38 ? 169 LEU A CD2 1 ATOM 1099 N N . LYS A 1 194 ? -27.716 -21.524 -14.646 1.00 106.69 ? 170 LYS A N 1 ATOM 1100 C CA . LYS A 1 194 ? -29.113 -21.956 -14.673 1.00 111.48 ? 170 LYS A CA 1 ATOM 1101 C C . LYS A 1 194 ? -29.279 -23.430 -14.300 1.00 112.45 ? 170 LYS A C 1 ATOM 1102 O O . LYS A 1 194 ? -28.298 -24.137 -14.075 1.00 110.19 ? 170 LYS A O 1 ATOM 1103 C CB . LYS A 1 194 ? -29.728 -21.709 -16.052 1.00 114.84 ? 170 LYS A CB 1 ATOM 1104 C CG . LYS A 1 194 ? -29.177 -22.613 -17.144 1.00 114.49 ? 170 LYS A CG 1 ATOM 1105 C CD . LYS A 1 194 ? -30.067 -22.598 -18.378 1.00 118.68 ? 170 LYS A CD 1 ATOM 1106 C CE . LYS A 1 194 ? -31.465 -23.111 -18.061 1.00 121.22 ? 170 LYS A CE 1 ATOM 1107 N NZ . LYS A 1 194 ? -32.351 -23.109 -19.258 1.00 125.90 ? 170 LYS A NZ 1 ATOM 1108 N N . LEU A 1 195 ? -30.530 -23.883 -14.246 1.00 116.63 ? 171 LEU A N 1 ATOM 1109 C CA . LEU A 1 195 ? -30.844 -25.279 -13.949 1.00 118.36 ? 171 LEU A CA 1 ATOM 1110 C C . LEU A 1 195 ? -30.423 -26.193 -15.096 1.00 120.62 ? 171 LEU A C 1 ATOM 1111 O O . LEU A 1 195 ? -30.290 -25.750 -16.235 1.00 122.27 ? 171 LEU A O 1 ATOM 1112 C CB . LEU A 1 195 ? -32.340 -25.451 -13.669 1.00 121.93 ? 171 LEU A CB 1 ATOM 1113 C CG . LEU A 1 195 ? -32.882 -25.072 -12.288 1.00 122.51 ? 171 LEU A CG 1 ATOM 1114 C CD1 . LEU A 1 195 ? -32.093 -25.770 -11.193 1.00 119.80 ? 171 LEU A CD1 1 ATOM 1115 C CD2 . LEU A 1 195 ? -32.895 -23.566 -12.075 1.00 123.41 ? 171 LEU A CD2 1 ATOM 1116 N N . LYS A 1 196 ? -30.223 -27.472 -14.790 1.00 121.37 ? 172 LYS A N 1 ATOM 1117 C CA . LYS A 1 196 ? -29.733 -28.425 -15.781 1.00 123.46 ? 172 LYS A CA 1 ATOM 1118 C C . LYS A 1 196 ? -30.837 -29.200 -16.490 1.00 128.83 ? 172 LYS A C 1 ATOM 1119 O O . LYS A 1 196 ? -32.015 -29.097 -16.147 1.00 131.25 ? 172 LYS A O 1 ATOM 1120 C CB . LYS A 1 196 ? -28.760 -29.418 -15.141 1.00 120.64 ? 172 LYS A CB 1 ATOM 1121 C CG . LYS A 1 196 ? -27.402 -28.839 -14.792 1.00 117.42 ? 172 LYS A CG 1 ATOM 1122 C CD . LYS A 1 196 ? -26.430 -29.936 -14.380 1.00 115.27 ? 172 LYS A CD 1 ATOM 1123 C CE . LYS A 1 196 ? -25.094 -29.362 -13.953 1.00 112.61 ? 172 LYS A CE 1 ATOM 1124 N NZ . LYS A 1 196 ? -24.388 -28.694 -15.074 1.00 112.85 ? 172 LYS A NZ 1 ATOM 1125 N N . GLU A 1 197 ? -30.428 -29.978 -17.488 1.00 130.72 ? 173 GLU A N 1 ATOM 1126 C CA . GLU A 1 197 ? -31.322 -30.885 -18.190 1.00 135.41 ? 173 GLU A CA 1 ATOM 1127 C C . GLU A 1 197 ? -31.733 -32.008 -17.242 1.00 135.17 ? 173 GLU A C 1 ATOM 1128 O O . GLU A 1 197 ? -32.907 -32.140 -16.893 1.00 138.22 ? 173 GLU A O 1 ATOM 1129 C CB . GLU A 1 197 ? -30.611 -31.478 -19.409 1.00 136.74 ? 173 GLU A CB 1 ATOM 1130 C CG . GLU A 1 197 ? -29.666 -30.516 -20.127 1.00 136.02 ? 173 GLU A CG 1 ATOM 1131 C CD . GLU A 1 197 ? -30.346 -29.727 -21.230 1.00 140.21 ? 173 GLU A CD 1 ATOM 1132 O OE1 . GLU A 1 197 ? -31.580 -29.850 -21.377 1.00 144.02 ? 173 GLU A OE1 1 ATOM 1133 O OE2 . GLU A 1 197 ? -29.645 -28.988 -21.953 1.00 140.07 ? 173 GLU A OE2 1 ATOM 1134 N N . LYS A 1 198 ? -30.752 -32.809 -16.827 1.00 132.03 ? 174 LYS A N 1 ATOM 1135 C CA . LYS A 1 198 ? -30.990 -33.940 -15.931 1.00 131.37 ? 174 LYS A CA 1 ATOM 1136 C C . LYS A 1 198 ? -29.818 -34.147 -14.968 1.00 125.03 ? 174 LYS A C 1 ATOM 1137 O O . LYS A 1 198 ? -28.872 -33.359 -14.955 1.00 122.19 ? 174 LYS A O 1 ATOM 1138 C CB . LYS A 1 198 ? -31.249 -35.215 -16.738 1.00 136.73 ? 174 LYS A CB 1 ATOM 1139 C CG . LYS A 1 198 ? -32.250 -36.170 -16.096 1.00 141.38 ? 174 LYS A CG 1 ATOM 1140 C CD . LYS A 1 198 ? -32.554 -37.362 -16.996 1.00 146.30 ? 174 LYS A CD 1 ATOM 1141 C CE . LYS A 1 198 ? -33.568 -38.298 -16.350 1.00 149.95 ? 174 LYS A CE 1 ATOM 1142 N NZ . LYS A 1 198 ? -33.939 -39.435 -17.236 1.00 154.34 ? 174 LYS A NZ 1 ATOM 1143 N N . GLN A 1 199 ? -29.885 -35.206 -14.164 1.00 122.45 ? 175 GLN A N 1 ATOM 1144 C CA . GLN A 1 199 ? -28.863 -35.471 -13.154 1.00 116.74 ? 175 GLN A CA 1 ATOM 1145 C C . GLN A 1 199 ? -27.722 -36.350 -13.665 1.00 112.39 ? 175 GLN A C 1 ATOM 1146 O O . GLN A 1 199 ? -27.511 -37.460 -13.177 1.00 113.37 ? 175 GLN A O 1 ATOM 1147 C CB . GLN A 1 199 ? -29.483 -36.086 -11.891 1.00 117.97 ? 175 GLN A CB 1 ATOM 1148 C CG . GLN A 1 199 ? -30.388 -37.290 -12.136 1.00 122.20 ? 175 GLN A CG 1 ATOM 1149 C CD . GLN A 1 199 ? -30.671 -38.068 -10.866 1.00 123.40 ? 175 GLN A CD 1 ATOM 1150 O OE1 . GLN A 1 199 ? -30.584 -37.529 -9.763 1.00 122.09 ? 175 GLN A OE1 1 ATOM 1151 N NE2 . GLN A 1 199 ? -31.004 -39.346 -11.015 1.00 126.47 ? 175 GLN A NE2 1 ATOM 1152 N N . ASP A 1 200 ? -26.980 -35.845 -14.642 1.00 107.37 ? 176 ASP A N 1 ATOM 1153 C CA . ASP A 1 200 ? -25.794 -36.540 -15.115 1.00 102.08 ? 176 ASP A CA 1 ATOM 1154 C C . ASP A 1 200 ? -24.651 -36.325 -14.137 1.00 95.36 ? 176 ASP A C 1 ATOM 1155 O O . ASP A 1 200 ? -24.591 -35.305 -13.456 1.00 94.01 ? 176 ASP A O 1 ATOM 1156 C CB . ASP A 1 200 ? -25.400 -36.048 -16.506 1.00 102.20 ? 176 ASP A CB 1 ATOM 1157 C CG . ASP A 1 200 ? -25.162 -34.559 -16.548 1.00 100.87 ? 176 ASP A CG 1 ATOM 1158 O OD1 . ASP A 1 200 ? -25.746 -33.842 -15.713 1.00 100.93 ? 176 ASP A OD1 1 ATOM 1159 O OD2 . ASP A 1 200 ? -24.394 -34.105 -17.419 1.00 100.35 ? 176 ASP A OD2 1 ATOM 1160 N N . VAL A 1 201 ? -23.748 -37.295 -14.064 1.00 91.04 ? 177 VAL A N 1 ATOM 1161 C CA . VAL A 1 201 ? -22.608 -37.201 -13.164 1.00 84.82 ? 177 VAL A CA 1 ATOM 1162 C C . VAL A 1 201 ? -21.401 -36.598 -13.871 1.00 79.88 ? 177 VAL A C 1 ATOM 1163 O O . VAL A 1 201 ? -20.259 -36.842 -13.483 1.00 77.99 ? 177 VAL A O 1 ATOM 1164 C CB . VAL A 1 201 ? -22.230 -38.572 -12.599 1.00 85.12 ? 177 VAL A CB 1 ATOM 1165 C CG1 . VAL A 1 201 ? -23.267 -39.026 -11.590 1.00 87.06 ? 177 VAL A CG1 1 ATOM 1166 C CG2 . VAL A 1 201 ? -22.088 -39.583 -13.726 1.00 86.88 ? 177 VAL A CG2 1 ATOM 1167 N N . PHE A 1 202 ? -21.664 -35.810 -14.909 1.00 77.85 ? 178 PHE A N 1 ATOM 1168 C CA . PHE A 1 202 ? -20.608 -35.118 -15.632 1.00 73.81 ? 178 PHE A CA 1 ATOM 1169 C C . PHE A 1 202 ? -20.474 -33.689 -15.129 1.00 71.19 ? 178 PHE A C 1 ATOM 1170 O O . PHE A 1 202 ? -21.433 -33.106 -14.629 1.00 71.60 ? 178 PHE A O 1 ATOM 1171 C CB . PHE A 1 202 ? -20.904 -35.100 -17.133 1.00 74.74 ? 178 PHE A CB 1 ATOM 1172 C CG . PHE A 1 202 ? -21.055 -36.465 -17.743 1.00 76.25 ? 178 PHE A CG 1 ATOM 1173 C CD1 . PHE A 1 202 ? -20.009 -37.376 -17.706 1.00 75.08 ? 178 PHE A CD1 1 ATOM 1174 C CD2 . PHE A 1 202 ? -22.234 -36.829 -18.377 1.00 79.18 ? 178 PHE A CD2 1 ATOM 1175 C CE1 . PHE A 1 202 ? -20.144 -38.631 -18.274 1.00 77.03 ? 178 PHE A CE1 1 ATOM 1176 C CE2 . PHE A 1 202 ? -22.372 -38.079 -18.946 1.00 81.32 ? 178 PHE A CE2 1 ATOM 1177 C CZ . PHE A 1 202 ? -21.326 -38.981 -18.893 1.00 80.26 ? 178 PHE A CZ 1 ATOM 1178 N N . CYS A 1 203 ? -19.278 -33.129 -15.260 1.00 68.97 ? 179 CYS A N 1 ATOM 1179 C CA . CYS A 1 203 ? -19.051 -31.727 -14.932 1.00 68.15 ? 179 CYS A CA 1 ATOM 1180 C C . CYS A 1 203 ? -19.642 -30.873 -16.047 1.00 70.43 ? 179 CYS A C 1 ATOM 1181 O O . CYS A 1 203 ? -19.976 -31.395 -17.108 1.00 72.55 ? 179 CYS A O 1 ATOM 1182 C CB . CYS A 1 203 ? -17.555 -31.462 -14.790 1.00 65.81 ? 179 CYS A CB 1 ATOM 1183 S SG . CYS A 1 203 ? -16.655 -32.794 -13.955 1.00 175.41 ? 179 CYS A SG 1 ATOM 1184 N N . ASP A 1 204 ? -19.781 -29.571 -15.817 1.00 70.99 ? 180 ASP A N 1 ATOM 1185 C CA . ASP A 1 204 ? -20.385 -28.691 -16.819 1.00 73.90 ? 180 ASP A CA 1 ATOM 1186 C C . ASP A 1 204 ? -19.482 -28.492 -18.036 1.00 74.31 ? 180 ASP A C 1 ATOM 1187 O O . ASP A 1 204 ? -18.321 -28.111 -17.905 1.00 71.46 ? 180 ASP A O 1 ATOM 1188 C CB . ASP A 1 204 ? -20.751 -27.337 -16.213 1.00 75.24 ? 180 ASP A CB 1 ATOM 1189 C CG . ASP A 1 204 ? -21.741 -26.567 -17.067 1.00 79.15 ? 180 ASP A CG 1 ATOM 1190 O OD1 . ASP A 1 204 ? -21.938 -26.929 -18.245 1.00 81.59 ? 180 ASP A OD1 1 ATOM 1191 O OD2 . ASP A 1 204 ? -22.326 -25.593 -16.558 1.00 80.27 ? 180 ASP A OD2 1 ATOM 1192 N N . SER A 1 205 ? -20.043 -28.735 -19.218 1.00 69.43 ? 181 SER A N 1 ATOM 1193 C CA . SER A 1 205 ? -19.289 -28.701 -20.470 1.00 69.95 ? 181 SER A CA 1 ATOM 1194 C C . SER A 1 205 ? -18.798 -27.302 -20.834 1.00 70.17 ? 181 SER A C 1 ATOM 1195 O O . SER A 1 205 ? -17.737 -27.145 -21.441 1.00 68.61 ? 181 SER A O 1 ATOM 1196 C CB . SER A 1 205 ? -20.137 -29.268 -21.613 1.00 71.59 ? 181 SER A CB 1 ATOM 1197 O OG . SER A 1 205 ? -21.370 -28.581 -21.726 1.00 73.35 ? 181 SER A OG 1 ATOM 1198 N N . LYS A 1 206 ? -19.575 -26.289 -20.459 1.00 73.00 ? 182 LYS A N 1 ATOM 1199 C CA . LYS A 1 206 ? -19.245 -24.906 -20.789 1.00 74.85 ? 182 LYS A CA 1 ATOM 1200 C C . LYS A 1 206 ? -18.066 -24.395 -19.962 1.00 73.09 ? 182 LYS A C 1 ATOM 1201 O O . LYS A 1 206 ? -17.500 -23.345 -20.253 1.00 72.57 ? 182 LYS A O 1 ATOM 1202 C CB . LYS A 1 206 ? -20.467 -23.998 -20.607 1.00 78.80 ? 182 LYS A CB 1 ATOM 1203 C CG . LYS A 1 206 ? -21.662 -24.388 -21.465 1.00 83.13 ? 182 LYS A CG 1 ATOM 1204 C CD . LYS A 1 206 ? -22.677 -23.254 -21.582 1.00 87.41 ? 182 LYS A CD 1 ATOM 1205 C CE . LYS A 1 206 ? -22.094 -22.050 -22.317 1.00 88.93 ? 182 LYS A CE 1 ATOM 1206 N NZ . LYS A 1 206 ? -23.084 -20.951 -22.528 1.00 91.89 ? 182 LYS A NZ 1 ATOM 1207 N N . LEU A 1 207 ? -17.699 -25.153 -18.936 1.00 72.34 ? 183 LEU A N 1 ATOM 1208 C CA . LEU A 1 207 ? -16.586 -24.787 -18.068 1.00 71.46 ? 183 LEU A CA 1 ATOM 1209 C C . LEU A 1 207 ? -15.300 -25.473 -18.518 1.00 69.53 ? 183 LEU A C 1 ATOM 1210 O O . LEU A 1 207 ? -14.214 -24.899 -18.435 1.00 68.95 ? 183 LEU A O 1 ATOM 1211 C CB . LEU A 1 207 ? -16.901 -25.156 -16.615 1.00 71.20 ? 183 LEU A CB 1 ATOM 1212 C CG . LEU A 1 207 ? -18.131 -24.497 -15.993 1.00 71.70 ? 183 LEU A CG 1 ATOM 1213 C CD1 . LEU A 1 207 ? -18.402 -25.040 -14.601 1.00 71.13 ? 183 LEU A CD1 1 ATOM 1214 C CD2 . LEU A 1 207 ? -17.947 -23.000 -15.941 1.00 71.95 ? 183 LEU A CD2 1 ATOM 1215 N N . MET A 1 208 ? -15.436 -26.705 -18.998 1.00 68.38 ? 184 MET A N 1 ATOM 1216 C CA . MET A 1 208 ? -14.291 -27.483 -19.453 1.00 66.20 ? 184 MET A CA 1 ATOM 1217 C C . MET A 1 208 ? -13.575 -26.787 -20.606 1.00 65.04 ? 184 MET A C 1 ATOM 1218 O O . MET A 1 208 ? -14.146 -25.932 -21.279 1.00 66.22 ? 184 MET A O 1 ATOM 1219 C CB . MET A 1 208 ? -14.736 -28.876 -19.901 1.00 66.94 ? 184 MET A CB 1 ATOM 1220 C CG . MET A 1 208 ? -15.671 -29.600 -18.942 1.00 67.65 ? 184 MET A CG 1 ATOM 1221 S SD . MET A 1 208 ? -14.912 -30.042 -17.374 1.00 127.45 ? 184 MET A SD 1 ATOM 1222 C CE . MET A 1 208 ? -15.589 -28.773 -16.310 1.00 131.44 ? 184 MET A CE 1 ATOM 1223 N N . SER A 1 209 ? -12.317 -27.154 -20.818 1.00 62.96 ? 185 SER A N 1 ATOM 1224 C CA . SER A 1 209 ? -11.552 -26.663 -21.957 1.00 61.84 ? 185 SER A CA 1 ATOM 1225 C C . SER A 1 209 ? -10.358 -27.572 -22.188 1.00 59.80 ? 185 SER A C 1 ATOM 1226 O O . SER A 1 209 ? -9.957 -28.312 -21.300 1.00 58.88 ? 185 SER A O 1 ATOM 1227 C CB . SER A 1 209 ? -11.096 -25.226 -21.727 1.00 62.42 ? 185 SER A CB 1 ATOM 1228 O OG . SER A 1 209 ? -10.586 -25.058 -20.420 1.00 62.14 ? 185 SER A OG 1 ATOM 1229 N N . ALA A 1 210 ? -9.802 -27.531 -23.390 1.00 59.32 ? 186 ALA A N 1 ATOM 1230 C CA . ALA A 1 210 ? -8.665 -28.376 -23.724 1.00 58.24 ? 186 ALA A CA 1 ATOM 1231 C C . ALA A 1 210 ? -7.913 -27.774 -24.895 1.00 58.27 ? 186 ALA A C 1 ATOM 1232 O O . ALA A 1 210 ? -8.474 -26.986 -25.650 1.00 58.82 ? 186 ALA A O 1 ATOM 1233 C CB . ALA A 1 210 ? -9.131 -29.776 -24.068 1.00 58.39 ? 186 ALA A CB 1 ATOM 1234 N N . ALA A 1 211 ? -6.647 -28.152 -25.045 1.00 58.01 ? 187 ALA A N 1 ATOM 1235 C CA . ALA A 1 211 ? -5.847 -27.685 -26.176 1.00 58.88 ? 187 ALA A CA 1 ATOM 1236 C C . ALA A 1 211 ? -4.584 -28.514 -26.358 1.00 59.01 ? 187 ALA A C 1 ATOM 1237 O O . ALA A 1 211 ? -4.080 -29.102 -25.406 1.00 57.66 ? 187 ALA A O 1 ATOM 1238 C CB . ALA A 1 211 ? -5.486 -26.221 -26.007 1.00 59.32 ? 187 ALA A CB 1 ATOM 1239 N N . ILE A 1 212 ? -4.076 -28.551 -27.586 1.00 61.05 ? 188 ILE A N 1 ATOM 1240 C CA . ILE A 1 212 ? -2.824 -29.242 -27.875 1.00 62.62 ? 188 ILE A CA 1 ATOM 1241 C C . ILE A 1 212 ? -2.110 -28.620 -29.079 1.00 65.22 ? 188 ILE A C 1 ATOM 1242 O O . ILE A 1 212 ? -2.718 -28.388 -30.121 1.00 65.89 ? 188 ILE A O 1 ATOM 1243 C CB . ILE A 1 212 ? -3.045 -30.766 -28.074 1.00 47.92 ? 188 ILE A CB 1 ATOM 1244 C CG1 . ILE A 1 212 ? -1.715 -31.483 -28.312 1.00 48.46 ? 188 ILE A CG1 1 ATOM 1245 C CG2 . ILE A 1 212 ? -4.015 -31.039 -29.209 1.00 48.53 ? 188 ILE A CG2 1 ATOM 1246 C CD1 . ILE A 1 212 ? -1.833 -32.989 -28.312 1.00 48.77 ? 188 ILE A CD1 1 ATOM 1247 N N . LYS A 1 213 ? -0.823 -28.329 -28.913 1.00 67.43 ? 189 LYS A N 1 ATOM 1248 C CA . LYS A 1 213 ? 0.002 -27.778 -29.986 1.00 70.80 ? 189 LYS A CA 1 ATOM 1249 C C . LYS A 1 213 ? 1.466 -27.864 -29.570 1.00 73.67 ? 189 LYS A C 1 ATOM 1250 O O . LYS A 1 213 ? 1.777 -27.780 -28.385 1.00 73.67 ? 189 LYS A O 1 ATOM 1251 C CB . LYS A 1 213 ? -0.387 -26.324 -30.285 1.00 70.90 ? 189 LYS A CB 1 ATOM 1252 C CG . LYS A 1 213 ? 0.313 -25.706 -31.502 1.00 72.00 ? 189 LYS A CG 1 ATOM 1253 C CD . LYS A 1 213 ? -0.284 -24.346 -31.864 1.00 72.68 ? 189 LYS A CD 1 ATOM 1254 C CE . LYS A 1 213 ? 0.537 -23.632 -32.928 1.00 74.42 ? 189 LYS A CE 1 ATOM 1255 N NZ . LYS A 1 213 ? 0.763 -24.476 -34.126 1.00 74.75 ? 189 LYS A NZ 1 ATOM 1256 N N . ASP A 1 214 ? 2.352 -28.048 -30.546 1.00 77.01 ? 190 ASP A N 1 ATOM 1257 C CA . ASP A 1 214 ? 3.792 -28.106 -30.298 1.00 80.05 ? 190 ASP A CA 1 ATOM 1258 C C . ASP A 1 214 ? 4.157 -29.104 -29.195 1.00 81.06 ? 190 ASP A C 1 ATOM 1259 O O . ASP A 1 214 ? 4.956 -28.798 -28.306 1.00 81.01 ? 190 ASP A O 1 ATOM 1260 C CB . ASP A 1 214 ? 4.343 -26.712 -29.975 1.00 82.09 ? 190 ASP A CB 1 ATOM 1261 C CG . ASP A 1 214 ? 4.000 -25.685 -31.039 1.00 84.34 ? 190 ASP A CG 1 ATOM 1262 O OD1 . ASP A 1 214 ? 3.786 -26.078 -32.205 1.00 85.20 ? 190 ASP A OD1 1 ATOM 1263 O OD2 . ASP A 1 214 ? 3.950 -24.482 -30.708 1.00 85.69 ? 190 ASP A OD2 1 ATOM 1264 N N . ASN A 1 215 ? 3.548 -30.287 -29.263 1.00 82.59 ? 191 ASN A N 1 ATOM 1265 C CA . ASN A 1 215 ? 3.803 -31.386 -28.327 1.00 84.19 ? 191 ASN A CA 1 ATOM 1266 C C . ASN A 1 215 ? 3.539 -31.070 -26.851 1.00 84.74 ? 191 ASN A C 1 ATOM 1267 O O . ASN A 1 215 ? 4.255 -31.538 -25.965 1.00 84.83 ? 191 ASN A O 1 ATOM 1268 C CB . ASN A 1 215 ? 5.208 -31.963 -28.528 1.00 85.50 ? 191 ASN A CB 1 ATOM 1269 C CG . ASN A 1 215 ? 5.420 -32.487 -29.933 1.00 85.49 ? 191 ASN A CG 1 ATOM 1270 O OD1 . ASN A 1 215 ? 4.474 -32.907 -30.600 1.00 84.54 ? 191 ASN A OD1 1 ATOM 1271 N ND2 . ASN A 1 215 ? 6.666 -32.463 -30.393 1.00 86.62 ? 191 ASN A ND2 1 ATOM 1272 N N . ARG A 1 216 ? 2.505 -30.273 -26.600 1.00 85.33 ? 192 ARG A N 1 ATOM 1273 C CA . ARG A 1 216 ? 2.072 -29.980 -25.240 1.00 86.08 ? 192 ARG A CA 1 ATOM 1274 C C . ARG A 1 216 ? 0.555 -30.024 -25.159 1.00 82.91 ? 192 ARG A C 1 ATOM 1275 O O . ARG A 1 216 ? -0.129 -29.218 -25.784 1.00 82.56 ? 192 ARG A O 1 ATOM 1276 C CB . ARG A 1 216 ? 2.579 -28.610 -24.790 1.00 90.17 ? 192 ARG A CB 1 ATOM 1277 C CG . ARG A 1 216 ? 4.089 -28.510 -24.686 1.00 94.67 ? 192 ARG A CG 1 ATOM 1278 C CD . ARG A 1 216 ? 4.529 -27.122 -24.259 1.00 98.38 ? 192 ARG A CD 1 ATOM 1279 N NE . ARG A 1 216 ? 5.971 -26.947 -24.404 1.00 102.48 ? 192 ARG A NE 1 ATOM 1280 C CZ . ARG A 1 216 ? 6.627 -25.830 -24.104 1.00 105.91 ? 192 ARG A CZ 1 ATOM 1281 N NH1 . ARG A 1 216 ? 5.970 -24.780 -23.634 1.00 106.57 ? 192 ARG A NH1 1 ATOM 1282 N NH2 . ARG A 1 216 ? 7.941 -25.765 -24.273 1.00 108.47 ? 192 ARG A NH2 1 ATOM 1283 N N . ALA A 1 217 ? 0.033 -30.974 -24.391 1.00 80.72 ? 193 ALA A N 1 ATOM 1284 C CA . ALA A 1 217 ? -1.408 -31.122 -24.246 1.00 78.02 ? 193 ALA A CA 1 ATOM 1285 C C . ALA A 1 217 ? -1.857 -30.598 -22.895 1.00 75.40 ? 193 ALA A C 1 ATOM 1286 O O . ALA A 1 217 ? -1.166 -30.764 -21.897 1.00 75.71 ? 193 ALA A O 1 ATOM 1287 C CB . ALA A 1 217 ? -1.816 -32.570 -24.413 1.00 78.47 ? 193 ALA A CB 1 ATOM 1288 N N . VAL A 1 218 ? -3.021 -29.960 -22.877 1.00 72.81 ? 194 VAL A N 1 ATOM 1289 C CA . VAL A 1 218 ? -3.572 -29.387 -21.661 1.00 70.63 ? 194 VAL A CA 1 ATOM 1290 C C . VAL A 1 218 ? -5.066 -29.645 -21.573 1.00 67.74 ? 194 VAL A C 1 ATOM 1291 O O . VAL A 1 218 ? -5.812 -29.354 -22.507 1.00 67.94 ? 194 VAL A O 1 ATOM 1292 C CB . VAL A 1 218 ? -3.339 -27.865 -21.601 1.00 71.77 ? 194 VAL A CB 1 ATOM 1293 C CG1 . VAL A 1 218 ? -4.107 -27.255 -20.444 1.00 72.00 ? 194 VAL A CG1 1 ATOM 1294 C CG2 . VAL A 1 218 ? -1.864 -27.552 -21.482 1.00 73.04 ? 194 VAL A CG2 1 ATOM 1295 N N . HIS A 1 219 ? -5.491 -30.208 -20.449 1.00 65.19 ? 195 HIS A N 1 ATOM 1296 C CA . HIS A 1 219 ? -6.900 -30.274 -20.110 1.00 62.69 ? 195 HIS A CA 1 ATOM 1297 C C . HIS A 1 219 ? -7.150 -29.308 -18.962 1.00 61.24 ? 195 HIS A C 1 ATOM 1298 O O . HIS A 1 219 ? -6.554 -29.430 -17.898 1.00 61.30 ? 195 HIS A O 1 ATOM 1299 C CB . HIS A 1 219 ? -7.301 -31.696 -19.729 1.00 62.09 ? 195 HIS A CB 1 ATOM 1300 C CG . HIS A 1 219 ? -7.240 -32.659 -20.872 1.00 61.75 ? 195 HIS A CG 1 ATOM 1301 N ND1 . HIS A 1 219 ? -6.053 -33.047 -21.454 1.00 61.76 ? 195 HIS A ND1 1 ATOM 1302 C CD2 . HIS A 1 219 ? -8.221 -33.303 -21.548 1.00 62.18 ? 195 HIS A CD2 1 ATOM 1303 C CE1 . HIS A 1 219 ? -6.305 -33.893 -22.437 1.00 62.31 ? 195 HIS A CE1 1 ATOM 1304 N NE2 . HIS A 1 219 ? -7.612 -34.065 -22.515 1.00 62.57 ? 195 HIS A NE2 1 ATOM 1305 N N . ALA A 1 220 ? -8.025 -28.339 -19.189 1.00 60.48 ? 196 ALA A N 1 ATOM 1306 C CA . ALA A 1 220 ? -8.186 -27.230 -18.260 1.00 60.30 ? 196 ALA A CA 1 ATOM 1307 C C . ALA A 1 220 ? -9.617 -27.006 -17.804 1.00 60.18 ? 196 ALA A C 1 ATOM 1308 O O . ALA A 1 220 ? -10.572 -27.365 -18.485 1.00 60.57 ? 196 ALA A O 1 ATOM 1309 C CB . ALA A 1 220 ? -7.633 -25.958 -18.863 1.00 60.69 ? 196 ALA A CB 1 ATOM 1310 N N . ASP A 1 221 ? -9.735 -26.370 -16.649 1.00 60.25 ? 197 ASP A N 1 ATOM 1311 C CA . ASP A 1 221 ? -11.008 -26.133 -16.012 1.00 60.76 ? 197 ASP A CA 1 ATOM 1312 C C . ASP A 1 221 ? -10.849 -24.847 -15.227 1.00 61.33 ? 197 ASP A C 1 ATOM 1313 O O . ASP A 1 221 ? -9.807 -24.201 -15.299 1.00 62.12 ? 197 ASP A O 1 ATOM 1314 C CB . ASP A 1 221 ? -11.312 -27.278 -15.056 1.00 61.63 ? 197 ASP A CB 1 ATOM 1315 C CG . ASP A 1 221 ? -12.784 -27.404 -14.744 1.00 63.15 ? 197 ASP A CG 1 ATOM 1316 O OD1 . ASP A 1 221 ? -13.555 -26.478 -15.066 1.00 64.41 ? 197 ASP A OD1 1 ATOM 1317 O OD2 . ASP A 1 221 ? -13.171 -28.434 -14.168 1.00 63.28 ? 197 ASP A OD2 1 ATOM 1318 N N . MET A 1 222 ? -11.873 -24.477 -14.471 1.00 61.52 ? 198 MET A N 1 ATOM 1319 C CA . MET A 1 222 ? -11.802 -23.299 -13.618 1.00 62.13 ? 198 MET A CA 1 ATOM 1320 C C . MET A 1 222 ? -11.058 -23.622 -12.331 1.00 61.44 ? 198 MET A C 1 ATOM 1321 O O . MET A 1 222 ? -10.650 -22.727 -11.595 1.00 62.00 ? 198 MET A O 1 ATOM 1322 C CB . MET A 1 222 ? -13.206 -22.794 -13.283 1.00 63.22 ? 198 MET A CB 1 ATOM 1323 C CG . MET A 1 222 ? -13.971 -22.210 -14.454 1.00 63.78 ? 198 MET A CG 1 ATOM 1324 S SD . MET A 1 222 ? -13.268 -20.663 -15.042 1.00 84.10 ? 198 MET A SD 1 ATOM 1325 C CE . MET A 1 222 ? -13.123 -19.768 -13.503 1.00 89.65 ? 198 MET A CE 1 ATOM 1326 N N . GLY A 1 223 ? -10.887 -24.911 -12.066 1.00 60.66 ? 199 GLY A N 1 ATOM 1327 C CA . GLY A 1 223 ? -10.226 -25.351 -10.853 1.00 60.83 ? 199 GLY A CA 1 ATOM 1328 C C . GLY A 1 223 ? -9.123 -26.353 -11.116 1.00 59.76 ? 199 GLY A C 1 ATOM 1329 O O . GLY A 1 223 ? -8.327 -26.654 -10.227 1.00 60.39 ? 199 GLY A O 1 ATOM 1330 N N . TYR A 1 224 ? -9.074 -26.879 -12.334 1.00 58.09 ? 200 TYR A N 1 ATOM 1331 C CA . TYR A 1 224 ? -8.027 -27.825 -12.688 1.00 57.41 ? 200 TYR A CA 1 ATOM 1332 C C . TYR A 1 224 ? -7.082 -27.217 -13.710 1.00 55.73 ? 200 TYR A C 1 ATOM 1333 O O . TYR A 1 224 ? -7.440 -26.294 -14.434 1.00 54.75 ? 200 TYR A O 1 ATOM 1334 C CB . TYR A 1 224 ? -8.613 -29.119 -13.264 1.00 58.24 ? 200 TYR A CB 1 ATOM 1335 C CG . TYR A 1 224 ? -9.291 -30.052 -12.273 1.00 59.88 ? 200 TYR A CG 1 ATOM 1336 C CD1 . TYR A 1 224 ? -9.691 -29.615 -11.020 1.00 61.17 ? 200 TYR A CD1 1 ATOM 1337 C CD2 . TYR A 1 224 ? -9.526 -31.381 -12.601 1.00 60.58 ? 200 TYR A CD2 1 ATOM 1338 C CE1 . TYR A 1 224 ? -10.312 -30.473 -10.127 1.00 62.38 ? 200 TYR A CE1 1 ATOM 1339 C CE2 . TYR A 1 224 ? -10.143 -32.244 -11.713 1.00 61.84 ? 200 TYR A CE2 1 ATOM 1340 C CZ . TYR A 1 224 ? -10.534 -31.785 -10.479 1.00 62.56 ? 200 TYR A CZ 1 ATOM 1341 O OH . TYR A 1 224 ? -11.148 -32.642 -9.594 1.00 63.70 ? 200 TYR A OH 1 ATOM 1342 N N . TRP A 1 225 ? -5.865 -27.740 -13.757 1.00 55.76 ? 201 TRP A N 1 ATOM 1343 C CA . TRP A 1 225 ? -4.958 -27.431 -14.854 1.00 55.41 ? 201 TRP A CA 1 ATOM 1344 C C . TRP A 1 225 ? -4.001 -28.595 -15.072 1.00 55.79 ? 201 TRP A C 1 ATOM 1345 O O . TRP A 1 225 ? -3.000 -28.733 -14.375 1.00 56.85 ? 201 TRP A O 1 ATOM 1346 C CB . TRP A 1 225 ? -4.191 -26.132 -14.605 1.00 55.58 ? 201 TRP A CB 1 ATOM 1347 C CG . TRP A 1 225 ? -3.284 -25.773 -15.736 1.00 54.75 ? 201 TRP A CG 1 ATOM 1348 C CD1 . TRP A 1 225 ? -1.962 -26.078 -15.848 1.00 55.24 ? 201 TRP A CD1 1 ATOM 1349 C CD2 . TRP A 1 225 ? -3.634 -25.056 -16.926 1.00 53.66 ? 201 TRP A CD2 1 ATOM 1350 N NE1 . TRP A 1 225 ? -1.466 -25.588 -17.028 1.00 54.97 ? 201 TRP A NE1 1 ATOM 1351 C CE2 . TRP A 1 225 ? -2.473 -24.957 -17.709 1.00 53.97 ? 201 TRP A CE2 1 ATOM 1352 C CE3 . TRP A 1 225 ? -4.815 -24.485 -17.399 1.00 53.00 ? 201 TRP A CE3 1 ATOM 1353 C CZ2 . TRP A 1 225 ? -2.458 -24.310 -18.942 1.00 53.97 ? 201 TRP A CZ2 1 ATOM 1354 C CZ3 . TRP A 1 225 ? -4.798 -23.845 -18.623 1.00 53.11 ? 201 TRP A CZ3 1 ATOM 1355 C CH2 . TRP A 1 225 ? -3.630 -23.762 -19.380 1.00 53.64 ? 201 TRP A CH2 1 ATOM 1356 N N . ILE A 1 226 ? -4.323 -29.428 -16.054 1.00 55.34 ? 202 ILE A N 1 ATOM 1357 C CA . ILE A 1 226 ? -3.611 -30.676 -16.275 1.00 56.15 ? 202 ILE A CA 1 ATOM 1358 C C . ILE A 1 226 ? -2.768 -30.620 -17.540 1.00 56.85 ? 202 ILE A C 1 ATOM 1359 O O . ILE A 1 226 ? -3.272 -30.336 -18.619 1.00 56.10 ? 202 ILE A O 1 ATOM 1360 C CB . ILE A 1 226 ? -4.597 -31.833 -16.374 1.00 56.00 ? 202 ILE A CB 1 ATOM 1361 C CG1 . ILE A 1 226 ? -5.640 -31.711 -15.266 1.00 41.43 ? 202 ILE A CG1 1 ATOM 1362 C CG2 . ILE A 1 226 ? -3.870 -33.156 -16.284 1.00 57.40 ? 202 ILE A CG2 1 ATOM 1363 C CD1 . ILE A 1 226 ? -6.839 -32.588 -15.465 1.00 41.39 ? 202 ILE A CD1 1 ATOM 1364 N N . GLU A 1 227 ? -1.479 -30.902 -17.400 1.00 58.71 ? 203 GLU A N 1 ATOM 1365 C CA . GLU A 1 227 ? -0.560 -30.810 -18.523 1.00 59.67 ? 203 GLU A CA 1 ATOM 1366 C C . GLU A 1 227 ? 0.188 -32.104 -18.784 1.00 61.24 ? 203 GLU A C 1 ATOM 1367 O O . GLU A 1 227 ? 0.703 -32.736 -17.864 1.00 62.70 ? 203 GLU A O 1 ATOM 1368 C CB . GLU A 1 227 ? 0.457 -29.697 -18.295 1.00 60.77 ? 203 GLU A CB 1 ATOM 1369 C CG . GLU A 1 227 ? -0.136 -28.319 -18.200 1.00 61.05 ? 203 GLU A CG 1 ATOM 1370 C CD . GLU A 1 227 ? 0.898 -27.246 -18.435 1.00 63.34 ? 203 GLU A CD 1 ATOM 1371 O OE1 . GLU A 1 227 ? 0.700 -26.108 -17.963 1.00 64.37 ? 203 GLU A OE1 1 ATOM 1372 O OE2 . GLU A 1 227 ? 1.909 -27.543 -19.103 1.00 64.44 ? 203 GLU A OE2 1 ATOM 1373 N N . SER A 1 228 ? 0.251 -32.474 -20.056 1.00 61.77 ? 204 SER A N 1 ATOM 1374 C CA . SER A 1 228 ? 1.073 -33.579 -20.509 1.00 64.35 ? 204 SER A CA 1 ATOM 1375 C C . SER A 1 228 ? 1.935 -33.085 -21.664 1.00 66.31 ? 204 SER A C 1 ATOM 1376 O O . SER A 1 228 ? 1.647 -32.046 -22.253 1.00 65.66 ? 204 SER A O 1 ATOM 1377 C CB . SER A 1 228 ? 0.199 -34.743 -20.960 1.00 64.16 ? 204 SER A CB 1 ATOM 1378 O OG . SER A 1 228 ? -0.722 -34.330 -21.947 1.00 63.14 ? 204 SER A OG 1 ATOM 1379 N N . ALA A 1 229 ? 2.992 -33.822 -21.981 1.00 69.39 ? 205 ALA A N 1 ATOM 1380 C CA . ALA A 1 229 ? 3.904 -33.418 -23.041 1.00 71.92 ? 205 ALA A CA 1 ATOM 1381 C C . ALA A 1 229 ? 4.475 -34.624 -23.777 1.00 75.16 ? 205 ALA A C 1 ATOM 1382 O O . ALA A 1 229 ? 4.209 -35.770 -23.415 1.00 75.46 ? 205 ALA A O 1 ATOM 1383 C CB . ALA A 1 229 ? 5.022 -32.564 -22.473 1.00 73.12 ? 205 ALA A CB 1 ATOM 1384 N N . LEU A 1 230 ? 5.267 -34.356 -24.809 1.00 78.03 ? 206 LEU A N 1 ATOM 1385 C CA . LEU A 1 230 ? 5.901 -35.416 -25.583 1.00 81.06 ? 206 LEU A CA 1 ATOM 1386 C C . LEU A 1 230 ? 7.413 -35.396 -25.415 1.00 85.81 ? 206 LEU A C 1 ATOM 1387 O O . LEU A 1 230 ? 8.119 -34.698 -26.142 1.00 86.20 ? 206 LEU A O 1 ATOM 1388 C CB . LEU A 1 230 ? 5.541 -35.294 -27.067 1.00 79.26 ? 206 LEU A CB 1 ATOM 1389 C CG . LEU A 1 230 ? 6.119 -36.343 -28.024 1.00 79.14 ? 206 LEU A CG 1 ATOM 1390 C CD1 . LEU A 1 230 ? 5.636 -37.723 -27.657 1.00 79.06 ? 206 LEU A CD1 1 ATOM 1391 C CD2 . LEU A 1 230 ? 5.764 -36.030 -29.467 1.00 78.22 ? 206 LEU A CD2 1 ATOM 1392 N N . ASN A 1 231 ? 7.899 -36.150 -24.435 1.00 90.31 ? 207 ASN A N 1 ATOM 1393 C CA . ASN A 1 231 ? 9.322 -36.425 -24.314 1.00 95.84 ? 207 ASN A CA 1 ATOM 1394 C C . ASN A 1 231 ? 9.503 -37.921 -24.493 1.00 94.41 ? 207 ASN A C 1 ATOM 1395 O O . ASN A 1 231 ? 9.250 -38.691 -23.568 1.00 95.53 ? 207 ASN A O 1 ATOM 1396 C CB . ASN A 1 231 ? 9.854 -35.971 -22.955 1.00 102.97 ? 207 ASN A CB 1 ATOM 1397 C CG . ASN A 1 231 ? 11.341 -36.221 -22.796 1.00 111.97 ? 207 ASN A CG 1 ATOM 1398 O OD1 . ASN A 1 231 ? 12.160 -35.642 -23.509 1.00 112.96 ? 207 ASN A OD1 1 ATOM 1399 N ND2 . ASN A 1 231 ? 11.699 -37.071 -21.838 1.00 119.59 ? 207 ASN A ND2 1 ATOM 1400 N N . ASP A 1 232 ? 9.908 -38.315 -25.700 1.00 91.76 ? 208 ASP A N 1 ATOM 1401 C CA . ASP A 1 232 ? 9.950 -39.718 -26.136 1.00 90.07 ? 208 ASP A CA 1 ATOM 1402 C C . ASP A 1 232 ? 8.558 -40.335 -26.297 1.00 85.31 ? 208 ASP A C 1 ATOM 1403 O O . ASP A 1 232 ? 8.316 -41.093 -27.235 1.00 85.42 ? 208 ASP A O 1 ATOM 1404 C CB . ASP A 1 232 ? 10.826 -40.584 -25.221 1.00 93.29 ? 208 ASP A CB 1 ATOM 1405 C CG . ASP A 1 232 ? 12.290 -40.206 -25.285 1.00 95.97 ? 208 ASP A CG 1 ATOM 1406 O OD1 . ASP A 1 232 ? 12.771 -39.858 -26.382 1.00 96.22 ? 208 ASP A OD1 1 ATOM 1407 O OD2 . ASP A 1 232 ? 12.961 -40.261 -24.233 1.00 98.15 ? 208 ASP A OD2 1 ATOM 1408 N N . THR A 1 233 ? 7.652 -40.009 -25.380 1.00 80.81 ? 209 THR A N 1 ATOM 1409 C CA . THR A 1 233 ? 6.266 -40.455 -25.467 1.00 76.55 ? 209 THR A CA 1 ATOM 1410 C C . THR A 1 233 ? 5.336 -39.484 -24.740 1.00 72.32 ? 209 THR A C 1 ATOM 1411 O O . THR A 1 233 ? 5.785 -38.686 -23.918 1.00 72.34 ? 209 THR A O 1 ATOM 1412 C CB . THR A 1 233 ? 6.085 -41.862 -24.886 1.00 77.36 ? 209 THR A CB 1 ATOM 1413 O OG1 . THR A 1 233 ? 4.836 -42.406 -25.330 1.00 76.75 ? 209 THR A OG1 1 ATOM 1414 C CG2 . THR A 1 233 ? 6.110 -41.820 -23.364 1.00 77.11 ? 209 THR A CG2 1 ATOM 1415 N N . TRP A 1 234 ? 4.045 -39.549 -25.055 1.00 69.03 ? 210 TRP A N 1 ATOM 1416 C CA . TRP A 1 234 ? 3.048 -38.693 -24.414 1.00 65.47 ? 210 TRP A CA 1 ATOM 1417 C C . TRP A 1 234 ? 2.700 -39.170 -23.015 1.00 65.65 ? 210 TRP A C 1 ATOM 1418 O O . TRP A 1 234 ? 2.176 -40.270 -22.838 1.00 66.99 ? 210 TRP A O 1 ATOM 1419 C CB . TRP A 1 234 ? 1.769 -38.637 -25.243 1.00 63.34 ? 210 TRP A CB 1 ATOM 1420 C CG . TRP A 1 234 ? 1.894 -37.784 -26.443 1.00 61.78 ? 210 TRP A CG 1 ATOM 1421 C CD1 . TRP A 1 234 ? 2.230 -38.181 -27.698 1.00 62.32 ? 210 TRP A CD1 1 ATOM 1422 C CD2 . TRP A 1 234 ? 1.691 -36.371 -26.506 1.00 59.81 ? 210 TRP A CD2 1 ATOM 1423 N NE1 . TRP A 1 234 ? 2.250 -37.101 -28.543 1.00 61.18 ? 210 TRP A NE1 1 ATOM 1424 C CE2 . TRP A 1 234 ? 1.922 -35.976 -27.832 1.00 59.68 ? 210 TRP A CE2 1 ATOM 1425 C CE3 . TRP A 1 234 ? 1.340 -35.402 -25.565 1.00 58.51 ? 210 TRP A CE3 1 ATOM 1426 C CZ2 . TRP A 1 234 ? 1.808 -34.650 -28.243 1.00 58.69 ? 210 TRP A CZ2 1 ATOM 1427 C CZ3 . TRP A 1 234 ? 1.228 -34.090 -25.972 1.00 57.37 ? 210 TRP A CZ3 1 ATOM 1428 C CH2 . TRP A 1 234 ? 1.460 -33.725 -27.297 1.00 57.56 ? 210 TRP A CH2 1 ATOM 1429 N N . LYS A 1 235 ? 2.976 -38.328 -22.027 1.00 64.63 ? 211 LYS A N 1 ATOM 1430 C CA . LYS A 1 235 ? 2.706 -38.668 -20.639 1.00 64.73 ? 211 LYS A CA 1 ATOM 1431 C C . LYS A 1 235 ? 2.385 -37.419 -19.840 1.00 63.08 ? 211 LYS A C 1 ATOM 1432 O O . LYS A 1 235 ? 2.852 -36.332 -20.162 1.00 62.00 ? 211 LYS A O 1 ATOM 1433 C CB . LYS A 1 235 ? 3.901 -39.401 -20.026 1.00 67.07 ? 211 LYS A CB 1 ATOM 1434 C CG . LYS A 1 235 ? 5.232 -38.694 -20.231 1.00 67.63 ? 211 LYS A CG 1 ATOM 1435 C CD . LYS A 1 235 ? 6.402 -39.603 -19.877 1.00 70.55 ? 211 LYS A CD 1 ATOM 1436 C CE . LYS A 1 235 ? 7.733 -38.910 -20.135 1.00 71.55 ? 211 LYS A CE 1 ATOM 1437 N NZ . LYS A 1 235 ? 8.897 -39.825 -19.971 1.00 74.56 ? 211 LYS A NZ 1 ATOM 1438 N N . ILE A 1 236 ? 1.577 -37.581 -18.799 1.00 62.96 ? 212 ILE A N 1 ATOM 1439 C CA . ILE A 1 236 ? 1.221 -36.470 -17.925 1.00 61.49 ? 212 ILE A CA 1 ATOM 1440 C C . ILE A 1 236 ? 2.470 -35.833 -17.323 1.00 61.88 ? 212 ILE A C 1 ATOM 1441 O O . ILE A 1 236 ? 3.445 -36.522 -17.024 1.00 63.97 ? 212 ILE A O 1 ATOM 1442 C CB . ILE A 1 236 ? 0.252 -36.934 -16.811 1.00 61.69 ? 212 ILE A CB 1 ATOM 1443 C CG1 . ILE A 1 236 ? -0.280 -35.746 -16.011 1.00 60.83 ? 212 ILE A CG1 1 ATOM 1444 C CG2 . ILE A 1 236 ? 0.919 -37.934 -15.895 1.00 63.83 ? 212 ILE A CG2 1 ATOM 1445 C CD1 . ILE A 1 236 ? -1.291 -36.138 -14.960 1.00 61.30 ? 212 ILE A CD1 1 ATOM 1446 N N . GLU A 1 237 ? 2.446 -34.514 -17.176 1.00 60.61 ? 213 GLU A N 1 ATOM 1447 C CA . GLU A 1 237 ? 3.580 -33.789 -16.617 1.00 62.20 ? 213 GLU A CA 1 ATOM 1448 C C . GLU A 1 237 ? 3.212 -33.051 -15.340 1.00 62.07 ? 213 GLU A C 1 ATOM 1449 O O . GLU A 1 237 ? 3.839 -33.241 -14.304 1.00 64.30 ? 213 GLU A O 1 ATOM 1450 C CB . GLU A 1 237 ? 4.156 -32.801 -17.635 1.00 62.28 ? 213 GLU A CB 1 ATOM 1451 C CG . GLU A 1 237 ? 5.086 -33.424 -18.667 1.00 63.42 ? 213 GLU A CG 1 ATOM 1452 C CD . GLU A 1 237 ? 6.402 -33.882 -18.073 1.00 66.05 ? 213 GLU A CD 1 ATOM 1453 O OE1 . GLU A 1 237 ? 6.777 -33.375 -16.995 1.00 67.22 ? 213 GLU A OE1 1 ATOM 1454 O OE2 . GLU A 1 237 ? 7.062 -34.746 -18.687 1.00 67.03 ? 213 GLU A OE2 1 ATOM 1455 N N . LYS A 1 238 ? 2.199 -32.199 -15.416 1.00 60.00 ? 214 LYS A N 1 ATOM 1456 C CA . LYS A 1 238 ? 1.837 -31.386 -14.264 1.00 60.37 ? 214 LYS A CA 1 ATOM 1457 C C . LYS A 1 238 ? 0.341 -31.387 -14.003 1.00 58.66 ? 214 LYS A C 1 ATOM 1458 O O . LYS A 1 238 ? -0.445 -31.779 -14.854 1.00 57.13 ? 214 LYS A O 1 ATOM 1459 C CB . LYS A 1 238 ? 2.360 -29.955 -14.423 1.00 60.99 ? 214 LYS A CB 1 ATOM 1460 C CG . LYS A 1 238 ? 3.870 -29.829 -14.240 1.00 63.63 ? 214 LYS A CG 1 ATOM 1461 C CD . LYS A 1 238 ? 4.360 -28.397 -14.430 1.00 64.64 ? 214 LYS A CD 1 ATOM 1462 C CE . LYS A 1 238 ? 4.053 -27.879 -15.826 1.00 63.17 ? 214 LYS A CE 1 ATOM 1463 N NZ . LYS A 1 238 ? 4.562 -26.495 -16.043 1.00 64.17 ? 214 LYS A NZ 1 ATOM 1464 N N . ALA A 1 239 ? -0.040 -30.962 -12.806 1.00 59.27 ? 215 ALA A N 1 ATOM 1465 C CA . ALA A 1 239 ? -1.444 -30.891 -12.432 1.00 46.16 ? 215 ALA A CA 1 ATOM 1466 C C . ALA A 1 239 ? -1.617 -29.825 -11.365 1.00 55.68 ? 215 ALA A C 1 ATOM 1467 O O . ALA A 1 239 ? -0.841 -29.759 -10.420 1.00 57.32 ? 215 ALA A O 1 ATOM 1468 C CB . ALA A 1 239 ? -1.928 -32.231 -11.929 1.00 46.68 ? 215 ALA A CB 1 ATOM 1469 N N . SER A 1 240 ? -2.628 -28.981 -11.528 1.00 54.89 ? 216 SER A N 1 ATOM 1470 C CA . SER A 1 240 ? -2.886 -27.913 -10.575 1.00 56.26 ? 216 SER A CA 1 ATOM 1471 C C . SER A 1 240 ? -4.327 -27.995 -10.114 1.00 55.75 ? 216 SER A C 1 ATOM 1472 O O . SER A 1 240 ? -5.228 -28.200 -10.927 1.00 54.88 ? 216 SER A O 1 ATOM 1473 C CB . SER A 1 240 ? -2.619 -26.555 -11.213 1.00 56.43 ? 216 SER A CB 1 ATOM 1474 O OG . SER A 1 240 ? -1.267 -26.433 -11.603 1.00 57.69 ? 216 SER A OG 1 ATOM 1475 N N . PHE A 1 241 ? -4.541 -27.835 -8.812 1.00 56.76 ? 217 PHE A N 1 ATOM 1476 C CA . PHE A 1 241 ? -5.867 -28.008 -8.237 1.00 56.63 ? 217 PHE A CA 1 ATOM 1477 C C . PHE A 1 241 ? -6.209 -26.911 -7.232 1.00 57.90 ? 217 PHE A C 1 ATOM 1478 O O . PHE A 1 241 ? -5.439 -26.636 -6.319 1.00 59.45 ? 217 PHE A O 1 ATOM 1479 C CB . PHE A 1 241 ? -5.963 -29.371 -7.548 1.00 58.27 ? 217 PHE A CB 1 ATOM 1480 C CG . PHE A 1 241 ? -5.963 -30.540 -8.493 1.00 58.30 ? 217 PHE A CG 1 ATOM 1481 C CD1 . PHE A 1 241 ? -7.156 -31.122 -8.887 1.00 57.89 ? 217 PHE A CD1 1 ATOM 1482 C CD2 . PHE A 1 241 ? -4.772 -31.074 -8.967 1.00 59.25 ? 217 PHE A CD2 1 ATOM 1483 C CE1 . PHE A 1 241 ? -7.168 -32.203 -9.748 1.00 57.73 ? 217 PHE A CE1 1 ATOM 1484 C CE2 . PHE A 1 241 ? -4.775 -32.157 -9.831 1.00 58.87 ? 217 PHE A CE2 1 ATOM 1485 C CZ . PHE A 1 241 ? -5.974 -32.721 -10.222 1.00 58.23 ? 217 PHE A CZ 1 ATOM 1486 N N . ILE A 1 242 ? -7.368 -26.285 -7.414 1.00 57.63 ? 218 ILE A N 1 ATOM 1487 C CA . ILE A 1 242 ? -7.906 -25.343 -6.437 1.00 59.77 ? 218 ILE A CA 1 ATOM 1488 C C . ILE A 1 242 ? -9.018 -26.077 -5.704 1.00 61.01 ? 218 ILE A C 1 ATOM 1489 O O . ILE A 1 242 ? -9.390 -25.742 -4.573 1.00 62.55 ? 218 ILE A O 1 ATOM 1490 C CB . ILE A 1 242 ? -8.491 -24.093 -7.122 1.00 58.88 ? 218 ILE A CB 1 ATOM 1491 C CG1 . ILE A 1 242 ? -7.440 -23.421 -8.001 1.00 58.75 ? 218 ILE A CG1 1 ATOM 1492 C CG2 . ILE A 1 242 ? -9.024 -23.105 -6.095 1.00 60.37 ? 218 ILE A CG2 1 ATOM 1493 C CD1 . ILE A 1 242 ? -6.185 -23.038 -7.248 1.00 60.77 ? 218 ILE A CD1 1 ATOM 1494 N N . GLU A 1 243 ? -9.526 -27.105 -6.374 1.00 60.41 ? 219 GLU A N 1 ATOM 1495 C CA . GLU A 1 243 ? -10.652 -27.876 -5.891 1.00 61.03 ? 219 GLU A CA 1 ATOM 1496 C C . GLU A 1 243 ? -10.451 -29.324 -6.284 1.00 61.07 ? 219 GLU A C 1 ATOM 1497 O O . GLU A 1 243 ? -9.646 -29.625 -7.161 1.00 60.41 ? 219 GLU A O 1 ATOM 1498 C CB . GLU A 1 243 ? -11.924 -27.376 -6.562 1.00 60.52 ? 219 GLU A CB 1 ATOM 1499 C CG . GLU A 1 243 ? -11.951 -27.629 -8.068 1.00 59.39 ? 219 GLU A CG 1 ATOM 1500 C CD . GLU A 1 243 ? -13.088 -26.921 -8.766 1.00 59.13 ? 219 GLU A CD 1 ATOM 1501 O OE1 . GLU A 1 243 ? -13.318 -27.206 -9.960 1.00 57.98 ? 219 GLU A OE1 1 ATOM 1502 O OE2 . GLU A 1 243 ? -13.742 -26.073 -8.123 1.00 60.25 ? 219 GLU A OE2 1 ATOM 1503 N N . VAL A 1 244 ? -11.183 -30.219 -5.632 1.00 62.28 ? 220 VAL A N 1 ATOM 1504 C CA . VAL A 1 244 ? -11.306 -31.591 -6.106 1.00 62.28 ? 220 VAL A CA 1 ATOM 1505 C C . VAL A 1 244 ? -12.784 -31.947 -6.140 1.00 62.69 ? 220 VAL A C 1 ATOM 1506 O O . VAL A 1 244 ? -13.480 -31.838 -5.131 1.00 63.72 ? 220 VAL A O 1 ATOM 1507 C CB . VAL A 1 244 ? -10.544 -32.587 -5.231 1.00 63.91 ? 220 VAL A CB 1 ATOM 1508 C CG1 . VAL A 1 244 ? -10.711 -33.988 -5.780 1.00 50.26 ? 220 VAL A CG1 1 ATOM 1509 C CG2 . VAL A 1 244 ? -9.076 -32.224 -5.183 1.00 50.08 ? 220 VAL A CG2 1 ATOM 1510 N N . LYS A 1 245 ? -13.260 -32.362 -7.309 1.00 61.99 ? 221 LYS A N 1 ATOM 1511 C CA . LYS A 1 245 ? -14.683 -32.607 -7.509 1.00 62.76 ? 221 LYS A CA 1 ATOM 1512 C C . LYS A 1 245 ? -14.967 -34.052 -7.886 1.00 63.94 ? 221 LYS A C 1 ATOM 1513 O O . LYS A 1 245 ? -14.088 -34.762 -8.369 1.00 63.86 ? 221 LYS A O 1 ATOM 1514 C CB . LYS A 1 245 ? -15.214 -31.678 -8.589 1.00 61.34 ? 221 LYS A CB 1 ATOM 1515 C CG . LYS A 1 245 ? -14.276 -31.566 -9.761 1.00 60.05 ? 221 LYS A CG 1 ATOM 1516 C CD . LYS A 1 245 ? -14.733 -30.497 -10.717 1.00 59.29 ? 221 LYS A CD 1 ATOM 1517 C CE . LYS A 1 245 ? -13.896 -30.521 -11.971 1.00 58.82 ? 221 LYS A CE 1 ATOM 1518 N NZ . LYS A 1 245 ? -14.498 -29.662 -13.019 1.00 58.91 ? 221 LYS A NZ 1 ATOM 1519 N N . ASN A 1 246 ? -16.206 -34.476 -7.670 1.00 65.41 ? 222 ASN A N 1 ATOM 1520 C CA . ASN A 1 246 ? -16.569 -35.871 -7.843 1.00 67.42 ? 222 ASN A CA 1 ATOM 1521 C C . ASN A 1 246 ? -17.276 -36.140 -9.164 1.00 67.85 ? 222 ASN A C 1 ATOM 1522 O O . ASN A 1 246 ? -17.762 -37.246 -9.394 1.00 70.02 ? 222 ASN A O 1 ATOM 1523 C CB . ASN A 1 246 ? -17.451 -36.331 -6.682 1.00 69.51 ? 222 ASN A CB 1 ATOM 1524 C CG . ASN A 1 246 ? -17.233 -37.783 -6.324 1.00 71.91 ? 222 ASN A CG 1 ATOM 1525 O OD1 . ASN A 1 246 ? -17.500 -38.202 -5.201 1.00 74.03 ? 222 ASN A OD1 1 ATOM 1526 N ND2 . ASN A 1 246 ? -16.733 -38.558 -7.275 1.00 71.96 ? 222 ASN A ND2 1 ATOM 1527 N N . CYS A 1 247 ? -17.334 -35.132 -10.030 1.00 66.03 ? 223 CYS A N 1 ATOM 1528 C CA . CYS A 1 247 ? -18.003 -35.290 -11.316 1.00 66.32 ? 223 CYS A CA 1 ATOM 1529 C C . CYS A 1 247 ? -17.090 -35.960 -12.330 1.00 66.24 ? 223 CYS A C 1 ATOM 1530 O O . CYS A 1 247 ? -15.924 -36.224 -12.047 1.00 65.48 ? 223 CYS A O 1 ATOM 1531 C CB . CYS A 1 247 ? -18.499 -33.945 -11.848 1.00 65.11 ? 223 CYS A CB 1 ATOM 1532 S SG . CYS A 1 247 ? -17.239 -32.665 -12.016 1.00 74.76 ? 223 CYS A SG 1 ATOM 1533 N N . HIS A 1 248 ? -17.632 -36.246 -13.507 1.00 67.35 ? 224 HIS A N 1 ATOM 1534 C CA . HIS A 1 248 ? -16.859 -36.900 -14.552 1.00 67.73 ? 224 HIS A CA 1 ATOM 1535 C C . HIS A 1 248 ? -16.503 -35.929 -15.663 1.00 66.25 ? 224 HIS A C 1 ATOM 1536 O O . HIS A 1 248 ? -17.316 -35.093 -16.058 1.00 66.18 ? 224 HIS A O 1 ATOM 1537 C CB . HIS A 1 248 ? -17.624 -38.091 -15.121 1.00 70.05 ? 224 HIS A CB 1 ATOM 1538 C CG . HIS A 1 248 ? -17.869 -39.173 -14.121 1.00 72.64 ? 224 HIS A CG 1 ATOM 1539 N ND1 . HIS A 1 248 ? -18.857 -39.093 -13.164 1.00 74.24 ? 224 HIS A ND1 1 ATOM 1540 C CD2 . HIS A 1 248 ? -17.245 -40.357 -13.920 1.00 74.42 ? 224 HIS A CD2 1 ATOM 1541 C CE1 . HIS A 1 248 ? -18.836 -40.185 -12.421 1.00 76.74 ? 224 HIS A CE1 1 ATOM 1542 N NE2 . HIS A 1 248 ? -17.867 -40.968 -12.859 1.00 76.98 ? 224 HIS A NE2 1 ATOM 1543 N N . TRP A 1 249 ? -15.278 -36.048 -16.160 1.00 64.98 ? 225 TRP A N 1 ATOM 1544 C CA . TRP A 1 249 ? -14.814 -35.194 -17.235 1.00 63.00 ? 225 TRP A CA 1 ATOM 1545 C C . TRP A 1 249 ? -15.406 -35.671 -18.547 1.00 63.71 ? 225 TRP A C 1 ATOM 1546 O O . TRP A 1 249 ? -15.110 -36.775 -18.994 1.00 64.77 ? 225 TRP A O 1 ATOM 1547 C CB . TRP A 1 249 ? -13.292 -35.226 -17.317 1.00 61.86 ? 225 TRP A CB 1 ATOM 1548 C CG . TRP A 1 249 ? -12.734 -34.172 -18.209 1.00 60.36 ? 225 TRP A CG 1 ATOM 1549 C CD1 . TRP A 1 249 ? -12.609 -34.231 -19.561 1.00 60.53 ? 225 TRP A CD1 1 ATOM 1550 C CD2 . TRP A 1 249 ? -12.232 -32.894 -17.811 1.00 58.84 ? 225 TRP A CD2 1 ATOM 1551 N NE1 . TRP A 1 249 ? -12.056 -33.066 -20.033 1.00 59.37 ? 225 TRP A NE1 1 ATOM 1552 C CE2 . TRP A 1 249 ? -11.815 -32.229 -18.976 1.00 58.37 ? 225 TRP A CE2 1 ATOM 1553 C CE3 . TRP A 1 249 ? -12.093 -32.251 -16.582 1.00 58.40 ? 225 TRP A CE3 1 ATOM 1554 C CZ2 . TRP A 1 249 ? -11.267 -30.947 -18.947 1.00 57.49 ? 225 TRP A CZ2 1 ATOM 1555 C CZ3 . TRP A 1 249 ? -11.551 -30.982 -16.555 1.00 57.64 ? 225 TRP A CZ3 1 ATOM 1556 C CH2 . TRP A 1 249 ? -11.144 -30.344 -17.728 1.00 57.24 ? 225 TRP A CH2 1 ATOM 1557 N N . PRO A 1 250 ? -16.244 -34.833 -19.168 1.00 63.55 ? 226 PRO A N 1 ATOM 1558 C CA . PRO A 1 250 ? -16.916 -35.169 -20.425 1.00 64.75 ? 226 PRO A CA 1 ATOM 1559 C C . PRO A 1 250 ? -15.937 -35.522 -21.537 1.00 64.13 ? 226 PRO A C 1 ATOM 1560 O O . PRO A 1 250 ? -14.909 -34.868 -21.681 1.00 62.33 ? 226 PRO A O 1 ATOM 1561 C CB . PRO A 1 250 ? -17.670 -33.880 -20.774 1.00 64.91 ? 226 PRO A CB 1 ATOM 1562 C CG . PRO A 1 250 ? -16.996 -32.807 -19.986 1.00 62.98 ? 226 PRO A CG 1 ATOM 1563 C CD . PRO A 1 250 ? -16.566 -33.468 -18.721 1.00 62.62 ? 226 PRO A CD 1 ATOM 1564 N N . LYS A 1 251 ? -16.266 -36.551 -22.311 1.00 65.67 ? 227 LYS A N 1 ATOM 1565 C CA . LYS A 1 251 ? -15.393 -37.013 -23.383 1.00 65.10 ? 227 LYS A CA 1 ATOM 1566 C C . LYS A 1 251 ? -15.450 -36.111 -24.611 1.00 64.78 ? 227 LYS A C 1 ATOM 1567 O O . LYS A 1 251 ? -14.615 -36.219 -25.503 1.00 64.83 ? 227 LYS A O 1 ATOM 1568 C CB . LYS A 1 251 ? -15.717 -38.460 -23.761 1.00 66.83 ? 227 LYS A CB 1 ATOM 1569 C CG . LYS A 1 251 ? -15.369 -39.467 -22.682 1.00 66.71 ? 227 LYS A CG 1 ATOM 1570 C CD . LYS A 1 251 ? -15.546 -40.889 -23.179 1.00 69.16 ? 227 LYS A CD 1 ATOM 1571 C CE . LYS A 1 251 ? -15.054 -41.900 -22.162 1.00 69.73 ? 227 LYS A CE 1 ATOM 1572 N NZ . LYS A 1 251 ? -15.267 -43.295 -22.637 1.00 73.03 ? 227 LYS A NZ 1 ATOM 1573 N N . SER A 1 252 ? -16.436 -35.223 -24.658 1.00 64.78 ? 228 SER A N 1 ATOM 1574 C CA . SER A 1 252 ? -16.500 -34.245 -25.732 1.00 64.89 ? 228 SER A CA 1 ATOM 1575 C C . SER A 1 252 ? -15.307 -33.301 -25.630 1.00 61.74 ? 228 SER A C 1 ATOM 1576 O O . SER A 1 252 ? -14.679 -32.968 -26.631 1.00 61.00 ? 228 SER A O 1 ATOM 1577 C CB . SER A 1 252 ? -17.817 -33.469 -25.684 1.00 66.77 ? 228 SER A CB 1 ATOM 1578 O OG . SER A 1 252 ? -18.101 -33.006 -24.377 1.00 65.96 ? 228 SER A OG 1 ATOM 1579 N N . HIS A 1 253 ? -14.992 -32.899 -24.403 1.00 59.93 ? 229 HIS A N 1 ATOM 1580 C CA . HIS A 1 253 ? -13.875 -32.004 -24.140 1.00 58.13 ? 229 HIS A CA 1 ATOM 1581 C C . HIS A 1 253 ? -12.636 -32.787 -23.721 1.00 56.04 ? 229 HIS A C 1 ATOM 1582 O O . HIS A 1 253 ? -11.841 -32.311 -22.913 1.00 54.37 ? 229 HIS A O 1 ATOM 1583 C CB . HIS A 1 253 ? -14.230 -31.016 -23.020 1.00 58.07 ? 229 HIS A CB 1 ATOM 1584 C CG . HIS A 1 253 ? -15.415 -30.149 -23.315 1.00 59.69 ? 229 HIS A CG 1 ATOM 1585 N ND1 . HIS A 1 253 ? -16.664 -30.659 -23.602 1.00 61.55 ? 229 HIS A ND1 1 ATOM 1586 C CD2 . HIS A 1 253 ? -15.545 -28.801 -23.335 1.00 59.97 ? 229 HIS A CD2 1 ATOM 1587 C CE1 . HIS A 1 253 ? -17.508 -29.663 -23.801 1.00 62.81 ? 229 HIS A CE1 1 ATOM 1588 N NE2 . HIS A 1 253 ? -16.856 -28.526 -23.643 1.00 61.98 ? 229 HIS A NE2 1 ATOM 1589 N N . THR A 1 254 ? -12.469 -33.986 -24.268 1.00 56.44 ? 230 THR A N 1 ATOM 1590 C CA . THR A 1 254 ? -11.353 -34.841 -23.881 1.00 55.87 ? 230 THR A CA 1 ATOM 1591 C C . THR A 1 254 ? -10.496 -35.209 -25.084 1.00 56.34 ? 230 THR A C 1 ATOM 1592 O O . THR A 1 254 ? -11.014 -35.583 -26.133 1.00 58.10 ? 230 THR A O 1 ATOM 1593 C CB . THR A 1 254 ? -11.852 -36.115 -23.198 1.00 57.39 ? 230 THR A CB 1 ATOM 1594 O OG1 . THR A 1 254 ? -12.796 -35.767 -22.181 1.00 57.71 ? 230 THR A OG1 1 ATOM 1595 C CG2 . THR A 1 254 ? -10.701 -36.877 -22.570 1.00 57.25 ? 230 THR A CG2 1 ATOM 1596 N N . LEU A 1 255 ? -9.182 -35.102 -24.919 1.00 55.12 ? 231 LEU A N 1 ATOM 1597 C CA . LEU A 1 255 ? -8.231 -35.357 -25.998 1.00 54.96 ? 231 LEU A CA 1 ATOM 1598 C C . LEU A 1 255 ? -7.662 -36.761 -25.914 1.00 55.21 ? 231 LEU A C 1 ATOM 1599 O O . LEU A 1 255 ? -7.138 -37.146 -24.874 1.00 54.61 ? 231 LEU A O 1 ATOM 1600 C CB . LEU A 1 255 ? -7.077 -34.360 -25.915 1.00 54.12 ? 231 LEU A CB 1 ATOM 1601 C CG . LEU A 1 255 ? -7.199 -33.012 -26.611 1.00 53.57 ? 231 LEU A CG 1 ATOM 1602 C CD1 . LEU A 1 255 ? -6.171 -32.061 -26.057 1.00 52.34 ? 231 LEU A CD1 1 ATOM 1603 C CD2 . LEU A 1 255 ? -6.988 -33.202 -28.087 1.00 54.93 ? 231 LEU A CD2 1 ATOM 1604 N N . TRP A 1 256 ? -7.758 -37.512 -27.009 1.00 56.80 ? 232 TRP A N 1 ATOM 1605 C CA . TRP A 1 256 ? -7.173 -38.849 -27.087 1.00 58.42 ? 232 TRP A CA 1 ATOM 1606 C C . TRP A 1 256 ? -7.847 -39.788 -26.082 1.00 59.08 ? 232 TRP A C 1 ATOM 1607 O O . TRP A 1 256 ? -7.228 -40.227 -25.110 1.00 58.65 ? 232 TRP A O 1 ATOM 1608 C CB . TRP A 1 256 ? -5.658 -38.768 -26.853 1.00 58.22 ? 232 TRP A CB 1 ATOM 1609 C CG . TRP A 1 256 ? -4.904 -39.964 -27.288 1.00 60.27 ? 232 TRP A CG 1 ATOM 1610 C CD1 . TRP A 1 256 ? -5.412 -41.079 -27.874 1.00 62.66 ? 232 TRP A CD1 1 ATOM 1611 C CD2 . TRP A 1 256 ? -3.490 -40.174 -27.174 1.00 60.50 ? 232 TRP A CD2 1 ATOM 1612 N NE1 . TRP A 1 256 ? -4.403 -41.975 -28.133 1.00 64.17 ? 232 TRP A NE1 1 ATOM 1613 C CE2 . TRP A 1 256 ? -3.213 -41.442 -27.713 1.00 62.83 ? 232 TRP A CE2 1 ATOM 1614 C CE3 . TRP A 1 256 ? -2.434 -39.413 -26.668 1.00 59.15 ? 232 TRP A CE3 1 ATOM 1615 C CZ2 . TRP A 1 256 ? -1.921 -41.968 -27.761 1.00 63.57 ? 232 TRP A CZ2 1 ATOM 1616 C CZ3 . TRP A 1 256 ? -1.153 -39.936 -26.721 1.00 60.26 ? 232 TRP A CZ3 1 ATOM 1617 C CH2 . TRP A 1 256 ? -0.908 -41.201 -27.260 1.00 62.31 ? 232 TRP A CH2 1 ATOM 1618 N N . SER A 1 257 ? -9.121 -40.087 -26.327 1.00 60.35 ? 233 SER A N 1 ATOM 1619 C CA . SER A 1 257 ? -9.938 -40.856 -25.386 1.00 62.14 ? 233 SER A CA 1 ATOM 1620 C C . SER A 1 257 ? -10.129 -42.318 -25.802 1.00 65.69 ? 233 SER A C 1 ATOM 1621 O O . SER A 1 257 ? -10.799 -43.091 -25.114 1.00 67.33 ? 233 SER A O 1 ATOM 1622 C CB . SER A 1 257 ? -11.302 -40.186 -25.210 1.00 62.08 ? 233 SER A CB 1 ATOM 1623 O OG . SER A 1 257 ? -12.185 -41.000 -24.457 1.00 64.09 ? 233 SER A OG 1 ATOM 1624 N N . ASN A 1 258 ? -9.530 -42.689 -26.926 1.00 67.22 ? 234 ASN A N 1 ATOM 1625 C CA . ASN A 1 258 ? -9.664 -44.035 -27.457 1.00 71.32 ? 234 ASN A CA 1 ATOM 1626 C C . ASN A 1 258 ? -8.734 -45.030 -26.780 1.00 73.51 ? 234 ASN A C 1 ATOM 1627 O O . ASN A 1 258 ? -7.531 -44.802 -26.688 1.00 72.74 ? 234 ASN A O 1 ATOM 1628 C CB . ASN A 1 258 ? -9.377 -44.020 -28.952 1.00 72.55 ? 234 ASN A CB 1 ATOM 1629 C CG . ASN A 1 258 ? -8.063 -43.344 -29.275 1.00 71.04 ? 234 ASN A CG 1 ATOM 1630 O OD1 . ASN A 1 258 ? -7.987 -42.119 -29.332 1.00 69.20 ? 234 ASN A OD1 1 ATOM 1631 N ND2 . ASN A 1 258 ? -7.016 -44.138 -29.476 1.00 71.98 ? 234 ASN A ND2 1 ATOM 1632 N N . GLY A 1 259 ? -9.297 -46.141 -26.320 1.00 76.82 ? 235 GLY A N 1 ATOM 1633 C CA . GLY A 1 259 ? -8.511 -47.206 -25.726 1.00 79.34 ? 235 GLY A CA 1 ATOM 1634 C C . GLY A 1 259 ? -7.758 -46.758 -24.495 1.00 78.08 ? 235 GLY A C 1 ATOM 1635 O O . GLY A 1 259 ? -6.556 -46.986 -24.371 1.00 62.04 ? 235 GLY A O 1 ATOM 1636 N N . VAL A 1 260 ? -8.473 -46.115 -23.582 1.00 77.33 ? 236 VAL A N 1 ATOM 1637 C CA . VAL A 1 260 ? -7.866 -45.630 -22.351 1.00 76.32 ? 236 VAL A CA 1 ATOM 1638 C C . VAL A 1 260 ? -8.148 -46.561 -21.170 1.00 79.63 ? 236 VAL A C 1 ATOM 1639 O O . VAL A 1 260 ? -9.295 -46.741 -20.762 1.00 80.57 ? 236 VAL A O 1 ATOM 1640 C CB . VAL A 1 260 ? -8.321 -44.202 -22.017 1.00 72.65 ? 236 VAL A CB 1 ATOM 1641 C CG1 . VAL A 1 260 ? -7.786 -43.779 -20.665 1.00 71.37 ? 236 VAL A CG1 1 ATOM 1642 C CG2 . VAL A 1 260 ? -7.856 -43.243 -23.092 1.00 70.34 ? 236 VAL A CG2 1 ATOM 1643 N N . LEU A 1 261 ? -7.084 -47.150 -20.635 1.00 81.58 ? 237 LEU A N 1 ATOM 1644 C CA . LEU A 1 261 ? -7.179 -48.024 -19.476 1.00 84.70 ? 237 LEU A CA 1 ATOM 1645 C C . LEU A 1 261 ? -7.407 -47.175 -18.233 1.00 83.43 ? 237 LEU A C 1 ATOM 1646 O O . LEU A 1 261 ? -6.543 -46.391 -17.845 1.00 81.59 ? 237 LEU A O 1 ATOM 1647 C CB . LEU A 1 261 ? -5.894 -48.844 -19.323 1.00 86.93 ? 237 LEU A CB 1 ATOM 1648 C CG . LEU A 1 261 ? -5.717 -50.147 -20.112 1.00 90.60 ? 237 LEU A CG 1 ATOM 1649 C CD1 . LEU A 1 261 ? -5.998 -49.968 -21.589 1.00 89.79 ? 237 LEU A CD1 1 ATOM 1650 C CD2 . LEU A 1 261 ? -4.314 -50.698 -19.914 1.00 92.34 ? 237 LEU A CD2 1 ATOM 1651 N N . GLU A 1 262 ? -8.572 -47.333 -17.613 1.00 84.66 ? 238 GLU A N 1 ATOM 1652 C CA . GLU A 1 262 ? -8.897 -46.583 -16.406 1.00 83.20 ? 238 GLU A CA 1 ATOM 1653 C C . GLU A 1 262 ? -8.017 -47.018 -15.239 1.00 84.24 ? 238 GLU A C 1 ATOM 1654 O O . GLU A 1 262 ? -7.887 -46.307 -14.249 1.00 83.09 ? 238 GLU A O 1 ATOM 1655 C CB . GLU A 1 262 ? -10.382 -46.723 -16.059 1.00 84.98 ? 238 GLU A CB 1 ATOM 1656 C CG . GLU A 1 262 ? -11.313 -46.185 -17.141 1.00 84.42 ? 238 GLU A CG 1 ATOM 1657 C CD . GLU A 1 262 ? -12.746 -46.028 -16.671 1.00 85.86 ? 238 GLU A CD 1 ATOM 1658 O OE1 . GLU A 1 262 ? -12.996 -46.175 -15.456 1.00 87.22 ? 238 GLU A OE1 1 ATOM 1659 O OE2 . GLU A 1 262 ? -13.623 -45.753 -17.520 1.00 85.74 ? 238 GLU A OE2 1 ATOM 1660 N N . SER A 1 263 ? -7.402 -48.186 -15.374 1.00 86.79 ? 239 SER A N 1 ATOM 1661 C CA . SER A 1 263 ? -6.494 -48.694 -14.357 1.00 88.50 ? 239 SER A CA 1 ATOM 1662 C C . SER A 1 263 ? -5.113 -48.061 -14.485 1.00 85.93 ? 239 SER A C 1 ATOM 1663 O O . SER A 1 263 ? -4.193 -48.423 -13.760 1.00 87.93 ? 239 SER A O 1 ATOM 1664 C CB . SER A 1 263 ? -6.374 -50.215 -14.460 1.00 93.24 ? 239 SER A CB 1 ATOM 1665 O OG . SER A 1 263 ? -5.679 -50.599 -15.634 1.00 93.59 ? 239 SER A OG 1 ATOM 1666 N N . GLU A 1 264 ? -4.971 -47.113 -15.404 1.00 82.00 ? 240 GLU A N 1 ATOM 1667 C CA . GLU A 1 264 ? -3.679 -46.479 -15.626 1.00 80.18 ? 240 GLU A CA 1 ATOM 1668 C C . GLU A 1 264 ? -3.738 -44.964 -15.529 1.00 76.29 ? 240 GLU A C 1 ATOM 1669 O O . GLU A 1 264 ? -2.712 -44.314 -15.338 1.00 75.33 ? 240 GLU A O 1 ATOM 1670 C CB . GLU A 1 264 ? -3.111 -46.876 -16.984 1.00 80.34 ? 240 GLU A CB 1 ATOM 1671 C CG . GLU A 1 264 ? -2.780 -48.343 -17.121 1.00 84.26 ? 240 GLU A CG 1 ATOM 1672 C CD . GLU A 1 264 ? -1.634 -48.571 -18.078 1.00 84.63 ? 240 GLU A CD 1 ATOM 1673 O OE1 . GLU A 1 264 ? -0.828 -47.636 -18.259 1.00 82.43 ? 240 GLU A OE1 1 ATOM 1674 O OE2 . GLU A 1 264 ? -1.537 -49.679 -18.645 1.00 87.18 ? 240 GLU A OE2 1 ATOM 1675 N N . MET A 1 265 ? -4.932 -44.400 -15.676 1.00 74.38 ? 241 MET A N 1 ATOM 1676 C CA . MET A 1 265 ? -5.079 -42.951 -15.616 1.00 70.98 ? 241 MET A CA 1 ATOM 1677 C C . MET A 1 265 ? -4.872 -42.430 -14.202 1.00 70.45 ? 241 MET A C 1 ATOM 1678 O O . MET A 1 265 ? -5.618 -42.765 -13.289 1.00 71.47 ? 241 MET A O 1 ATOM 1679 C CB . MET A 1 265 ? -6.426 -42.496 -16.182 1.00 69.41 ? 241 MET A CB 1 ATOM 1680 C CG . MET A 1 265 ? -7.603 -43.337 -15.760 1.00 71.29 ? 241 MET A CG 1 ATOM 1681 S SD . MET A 1 265 ? -9.080 -42.947 -16.712 1.00 71.41 ? 241 MET A SD 1 ATOM 1682 C CE . MET A 1 265 ? -9.362 -41.253 -16.225 1.00 55.47 ? 241 MET A CE 1 ATOM 1683 N N . ILE A 1 266 ? -3.838 -41.613 -14.046 1.00 69.03 ? 242 ILE A N 1 ATOM 1684 C CA . ILE A 1 266 ? -3.444 -41.075 -12.750 1.00 69.27 ? 242 ILE A CA 1 ATOM 1685 C C . ILE A 1 266 ? -4.574 -40.372 -12.008 1.00 68.06 ? 242 ILE A C 1 ATOM 1686 O O . ILE A 1 266 ? -4.929 -40.760 -10.902 1.00 69.66 ? 242 ILE A O 1 ATOM 1687 C CB . ILE A 1 266 ? -2.269 -40.109 -12.903 1.00 67.94 ? 242 ILE A CB 1 ATOM 1688 C CG1 . ILE A 1 266 ? -1.012 -40.884 -13.282 1.00 69.63 ? 242 ILE A CG1 1 ATOM 1689 C CG2 . ILE A 1 266 ? -2.036 -39.339 -11.619 1.00 68.32 ? 242 ILE A CG2 1 ATOM 1690 C CD1 . ILE A 1 266 ? 0.233 -40.072 -13.148 1.00 69.69 ? 242 ILE A CD1 1 ATOM 1691 N N . ILE A 1 267 ? -5.128 -39.332 -12.615 1.00 65.62 ? 243 ILE A N 1 ATOM 1692 C CA . ILE A 1 267 ? -6.241 -38.621 -12.015 1.00 64.87 ? 243 ILE A CA 1 ATOM 1693 C C . ILE A 1 267 ? -7.497 -39.459 -12.178 1.00 65.34 ? 243 ILE A C 1 ATOM 1694 O O . ILE A 1 267 ? -7.926 -39.721 -13.297 1.00 64.87 ? 243 ILE A O 1 ATOM 1695 C CB . ILE A 1 267 ? -6.442 -37.260 -12.683 1.00 63.45 ? 243 ILE A CB 1 ATOM 1696 C CG1 . ILE A 1 267 ? -5.088 -36.587 -12.913 1.00 63.41 ? 243 ILE A CG1 1 ATOM 1697 C CG2 . ILE A 1 267 ? -7.354 -36.378 -11.842 1.00 62.96 ? 243 ILE A CG2 1 ATOM 1698 C CD1 . ILE A 1 267 ? -5.182 -35.236 -13.565 1.00 61.40 ? 243 ILE A CD1 1 ATOM 1699 N N . PRO A 1 268 ? -8.082 -39.893 -11.053 1.00 66.63 ? 244 PRO A N 1 ATOM 1700 C CA . PRO A 1 268 ? -9.250 -40.781 -11.026 1.00 68.12 ? 244 PRO A CA 1 ATOM 1701 C C . PRO A 1 268 ? -10.448 -40.249 -11.808 1.00 66.81 ? 244 PRO A C 1 ATOM 1702 O O . PRO A 1 268 ? -10.761 -39.063 -11.725 1.00 65.11 ? 244 PRO A O 1 ATOM 1703 C CB . PRO A 1 268 ? -9.593 -40.848 -9.539 1.00 69.55 ? 244 PRO A CB 1 ATOM 1704 C CG . PRO A 1 268 ? -8.306 -40.593 -8.849 1.00 69.93 ? 244 PRO A CG 1 ATOM 1705 C CD . PRO A 1 268 ? -7.592 -39.590 -9.697 1.00 67.41 ? 244 PRO A CD 1 ATOM 1706 N N . LYS A 1 269 ? -11.104 -41.137 -12.551 1.00 67.91 ? 245 LYS A N 1 ATOM 1707 C CA . LYS A 1 269 ? -12.294 -40.802 -13.326 1.00 67.26 ? 245 LYS A CA 1 ATOM 1708 C C . LYS A 1 269 ? -13.381 -40.195 -12.452 1.00 67.60 ? 245 LYS A C 1 ATOM 1709 O O . LYS A 1 269 ? -13.945 -39.151 -12.782 1.00 66.27 ? 245 LYS A O 1 ATOM 1710 C CB . LYS A 1 269 ? -12.828 -42.052 -14.029 1.00 69.38 ? 245 LYS A CB 1 ATOM 1711 C CG . LYS A 1 269 ? -14.259 -41.938 -14.539 1.00 69.81 ? 245 LYS A CG 1 ATOM 1712 C CD . LYS A 1 269 ? -14.819 -43.311 -14.899 1.00 73.32 ? 245 LYS A CD 1 ATOM 1713 C CE . LYS A 1 269 ? -16.263 -43.228 -15.370 1.00 74.54 ? 245 LYS A CE 1 ATOM 1714 N NZ . LYS A 1 269 ? -16.812 -44.565 -15.721 1.00 78.35 ? 245 LYS A NZ 1 ATOM 1715 N N . ASN A 1 270 ? -13.662 -40.841 -11.326 1.00 69.94 ? 246 ASN A N 1 ATOM 1716 C CA . ASN A 1 270 ? -14.678 -40.350 -10.406 1.00 70.95 ? 246 ASN A CA 1 ATOM 1717 C C . ASN A 1 270 ? -14.216 -39.066 -9.715 1.00 69.59 ? 246 ASN A C 1 ATOM 1718 O O . ASN A 1 270 ? -14.967 -38.455 -8.956 1.00 69.76 ? 246 ASN A O 1 ATOM 1719 C CB . ASN A 1 270 ? -15.040 -41.430 -9.380 1.00 74.70 ? 246 ASN A CB 1 ATOM 1720 C CG . ASN A 1 270 ? -16.464 -41.297 -8.861 1.00 76.67 ? 246 ASN A CG 1 ATOM 1721 O OD1 . ASN A 1 270 ? -17.299 -40.618 -9.459 1.00 75.90 ? 246 ASN A OD1 1 ATOM 1722 N ND2 . ASN A 1 270 ? -16.748 -41.956 -7.745 1.00 79.69 ? 246 ASN A ND2 1 ATOM 1723 N N . LEU A 1 271 ? -12.977 -38.666 -9.988 1.00 68.22 ? 247 LEU A N 1 ATOM 1724 C CA . LEU A 1 271 ? -12.447 -37.396 -9.506 1.00 66.40 ? 247 LEU A CA 1 ATOM 1725 C C . LEU A 1 271 ? -12.168 -36.443 -10.661 1.00 64.43 ? 247 LEU A C 1 ATOM 1726 O O . LEU A 1 271 ? -11.137 -35.776 -10.678 1.00 63.25 ? 247 LEU A O 1 ATOM 1727 C CB . LEU A 1 271 ? -11.163 -37.611 -8.705 1.00 66.34 ? 247 LEU A CB 1 ATOM 1728 C CG . LEU A 1 271 ? -11.262 -38.370 -7.382 1.00 67.89 ? 247 LEU A CG 1 ATOM 1729 C CD1 . LEU A 1 271 ? -9.966 -38.248 -6.594 1.00 67.80 ? 247 LEU A CD1 1 ATOM 1730 C CD2 . LEU A 1 271 ? -12.438 -37.863 -6.570 1.00 67.95 ? 247 LEU A CD2 1 ATOM 1731 N N . ALA A 1 272 ? -13.088 -36.392 -11.622 1.00 64.57 ? 248 ALA A N 1 ATOM 1732 C CA . ALA A 1 272 ? -12.969 -35.515 -12.787 1.00 62.85 ? 248 ALA A CA 1 ATOM 1733 C C . ALA A 1 272 ? -11.681 -35.736 -13.570 1.00 61.52 ? 248 ALA A C 1 ATOM 1734 O O . ALA A 1 272 ? -11.183 -34.833 -14.233 1.00 59.29 ? 248 ALA A O 1 ATOM 1735 C CB . ALA A 1 272 ? -13.101 -34.061 -12.376 1.00 62.16 ? 248 ALA A CB 1 ATOM 1736 N N . GLY A 1 273 ? -11.147 -36.947 -13.491 1.00 63.06 ? 249 GLY A N 1 ATOM 1737 C CA . GLY A 1 273 ? -9.957 -37.289 -14.240 1.00 62.85 ? 249 GLY A CA 1 ATOM 1738 C C . GLY A 1 273 ? -10.291 -37.512 -15.695 1.00 62.42 ? 249 GLY A C 1 ATOM 1739 O O . GLY A 1 273 ? -11.233 -38.232 -16.013 1.00 63.58 ? 249 GLY A O 1 ATOM 1740 N N . PRO A 1 274 ? -9.527 -36.878 -16.588 1.00 61.17 ? 250 PRO A N 1 ATOM 1741 C CA . PRO A 1 274 ? -9.739 -37.027 -18.028 1.00 61.30 ? 250 PRO A CA 1 ATOM 1742 C C . PRO A 1 274 ? -9.434 -38.443 -18.479 1.00 62.93 ? 250 PRO A C 1 ATOM 1743 O O . PRO A 1 274 ? -8.332 -38.931 -18.244 1.00 64.05 ? 250 PRO A O 1 ATOM 1744 C CB . PRO A 1 274 ? -8.713 -36.063 -18.630 1.00 59.80 ? 250 PRO A CB 1 ATOM 1745 C CG . PRO A 1 274 ? -8.446 -35.075 -17.552 1.00 59.08 ? 250 PRO A CG 1 ATOM 1746 C CD . PRO A 1 274 ? -8.497 -35.872 -16.289 1.00 60.22 ? 250 PRO A CD 1 ATOM 1747 N N . VAL A 1 275 ? -10.403 -39.093 -19.113 1.00 63.53 ? 251 VAL A N 1 ATOM 1748 C CA . VAL A 1 275 ? -10.192 -40.432 -19.640 1.00 65.13 ? 251 VAL A CA 1 ATOM 1749 C C . VAL A 1 275 ? -9.292 -40.323 -20.860 1.00 64.96 ? 251 VAL A C 1 ATOM 1750 O O . VAL A 1 275 ? -9.760 -40.398 -21.994 1.00 66.34 ? 251 VAL A O 1 ATOM 1751 C CB . VAL A 1 275 ? -11.525 -41.105 -20.027 1.00 66.32 ? 251 VAL A CB 1 ATOM 1752 C CG1 . VAL A 1 275 ? -11.307 -42.574 -20.357 1.00 69.03 ? 251 VAL A CG1 1 ATOM 1753 C CG2 . VAL A 1 275 ? -12.545 -40.960 -18.903 1.00 66.06 ? 251 VAL A CG2 1 ATOM 1754 N N . SER A 1 276 ? -7.997 -40.141 -20.624 1.00 63.76 ? 252 SER A N 1 ATOM 1755 C CA . SER A 1 276 ? -7.061 -39.875 -21.710 1.00 62.52 ? 252 SER A CA 1 ATOM 1756 C C . SER A 1 276 ? -5.727 -40.581 -21.522 1.00 62.60 ? 252 SER A C 1 ATOM 1757 O O . SER A 1 276 ? -5.312 -40.852 -20.398 1.00 63.05 ? 252 SER A O 1 ATOM 1758 C CB . SER A 1 276 ? -6.821 -38.372 -21.833 1.00 60.99 ? 252 SER A CB 1 ATOM 1759 O OG . SER A 1 276 ? -5.779 -38.100 -22.749 1.00 61.21 ? 252 SER A OG 1 ATOM 1760 N N . GLN A 1 277 ? -5.054 -40.863 -22.632 1.00 62.26 ? 253 GLN A N 1 ATOM 1761 C CA . GLN A 1 277 ? -3.719 -41.439 -22.592 1.00 62.60 ? 253 GLN A CA 1 ATOM 1762 C C . GLN A 1 277 ? -2.702 -40.343 -22.331 1.00 60.71 ? 253 GLN A C 1 ATOM 1763 O O . GLN A 1 277 ? -1.499 -40.584 -22.322 1.00 49.19 ? 253 GLN A O 1 ATOM 1764 C CB . GLN A 1 277 ? -3.396 -42.152 -23.902 1.00 51.25 ? 253 GLN A CB 1 ATOM 1765 C CG . GLN A 1 277 ? -4.418 -43.199 -24.313 1.00 57.89 ? 253 GLN A CG 1 ATOM 1766 C CD . GLN A 1 277 ? -3.896 -44.125 -25.396 1.00 59.85 ? 253 GLN A CD 1 ATOM 1767 O OE1 . GLN A 1 277 ? -2.700 -44.154 -25.677 1.00 59.95 ? 253 GLN A OE1 1 ATOM 1768 N NE2 . GLN A 1 277 ? -4.793 -44.891 -26.006 1.00 61.60 ? 253 GLN A NE2 1 ATOM 1769 N N . HIS A 1 278 ? -3.204 -39.129 -22.144 1.00 58.60 ? 254 HIS A N 1 ATOM 1770 C CA . HIS A 1 278 ? -2.392 -38.026 -21.673 1.00 57.61 ? 254 HIS A CA 1 ATOM 1771 C C . HIS A 1 278 ? -2.334 -38.091 -20.155 1.00 58.49 ? 254 HIS A C 1 ATOM 1772 O O . HIS A 1 278 ? -1.352 -37.679 -19.539 1.00 59.21 ? 254 HIS A O 1 ATOM 1773 C CB . HIS A 1 278 ? -3.001 -36.695 -22.090 1.00 56.12 ? 254 HIS A CB 1 ATOM 1774 C CG . HIS A 1 278 ? -2.887 -36.403 -23.553 1.00 56.22 ? 254 HIS A CG 1 ATOM 1775 N ND1 . HIS A 1 278 ? -1.675 -36.313 -24.205 1.00 56.55 ? 254 HIS A ND1 1 ATOM 1776 C CD2 . HIS A 1 278 ? -3.838 -36.144 -24.484 1.00 56.01 ? 254 HIS A CD2 1 ATOM 1777 C CE1 . HIS A 1 278 ? -1.886 -36.029 -25.478 1.00 56.60 ? 254 HIS A CE1 1 ATOM 1778 N NE2 . HIS A 1 278 ? -3.189 -35.919 -25.673 1.00 56.25 ? 254 HIS A NE2 1 ATOM 1779 N N . ASN A 1 279 ? -3.400 -38.618 -19.556 1.00 58.39 ? 255 ASN A N 1 ATOM 1780 C CA . ASN A 1 279 ? -3.466 -38.824 -18.117 1.00 58.49 ? 255 ASN A CA 1 ATOM 1781 C C . ASN A 1 279 ? -2.705 -40.087 -17.739 1.00 60.46 ? 255 ASN A C 1 ATOM 1782 O O . ASN A 1 279 ? -3.009 -40.743 -16.744 1.00 62.34 ? 255 ASN A O 1 ATOM 1783 C CB . ASN A 1 279 ? -4.926 -38.929 -17.676 1.00 58.93 ? 255 ASN A CB 1 ATOM 1784 C CG . ASN A 1 279 ? -5.102 -38.762 -16.181 1.00 60.42 ? 255 ASN A CG 1 ATOM 1785 O OD1 . ASN A 1 279 ? -4.171 -38.389 -15.469 1.00 60.90 ? 255 ASN A OD1 1 ATOM 1786 N ND2 . ASN A 1 279 ? -6.307 -39.034 -15.696 1.00 61.27 ? 255 ASN A ND2 1 ATOM 1787 N N . TYR A 1 280 ? -1.708 -40.420 -18.550 1.00 60.25 ? 256 TYR A N 1 ATOM 1788 C CA . TYR A 1 280 ? -0.907 -41.609 -18.336 1.00 62.02 ? 256 TYR A CA 1 ATOM 1789 C C . TYR A 1 280 ? 0.479 -41.245 -17.850 1.00 62.01 ? 256 TYR A C 1 ATOM 1790 O O . TYR A 1 280 ? 1.006 -40.180 -18.170 1.00 59.89 ? 256 TYR A O 1 ATOM 1791 C CB . TYR A 1 280 ? -0.784 -42.419 -19.626 1.00 62.99 ? 256 TYR A CB 1 ATOM 1792 C CG . TYR A 1 280 ? -1.953 -43.332 -19.902 1.00 64.55 ? 256 TYR A CG 1 ATOM 1793 C CD1 . TYR A 1 280 ? -3.100 -43.280 -19.127 1.00 64.79 ? 256 TYR A CD1 1 ATOM 1794 C CD2 . TYR A 1 280 ? -1.901 -44.260 -20.932 1.00 66.22 ? 256 TYR A CD2 1 ATOM 1795 C CE1 . TYR A 1 280 ? -4.165 -44.114 -19.378 1.00 66.38 ? 256 TYR A CE1 1 ATOM 1796 C CE2 . TYR A 1 280 ? -2.963 -45.100 -21.189 1.00 67.85 ? 256 TYR A CE2 1 ATOM 1797 C CZ . TYR A 1 280 ? -4.092 -45.021 -20.409 1.00 68.06 ? 256 TYR A CZ 1 ATOM 1798 O OH . TYR A 1 280 ? -5.152 -45.852 -20.657 1.00 70.07 ? 256 TYR A OH 1 ATOM 1799 N N . ARG A 1 281 ? 1.059 -42.150 -17.073 1.00 64.64 ? 257 ARG A N 1 ATOM 1800 C CA . ARG A 1 281 ? 2.451 -42.056 -16.680 1.00 66.17 ? 257 ARG A CA 1 ATOM 1801 C C . ARG A 1 281 ? 2.977 -43.465 -16.471 1.00 70.02 ? 257 ARG A C 1 ATOM 1802 O O . ARG A 1 281 ? 2.418 -44.224 -15.679 1.00 71.40 ? 257 ARG A O 1 ATOM 1803 C CB . ARG A 1 281 ? 2.592 -41.244 -15.401 1.00 65.56 ? 257 ARG A CB 1 ATOM 1804 C CG . ARG A 1 281 ? 4.013 -40.873 -15.074 1.00 66.71 ? 257 ARG A CG 1 ATOM 1805 C CD . ARG A 1 281 ? 4.642 -40.088 -16.190 1.00 65.02 ? 257 ARG A CD 1 ATOM 1806 N NE . ARG A 1 281 ? 5.976 -39.631 -15.829 1.00 66.51 ? 257 ARG A NE 1 ATOM 1807 C CZ . ARG A 1 281 ? 6.319 -38.352 -15.735 1.00 65.15 ? 257 ARG A CZ 1 ATOM 1808 N NH1 . ARG A 1 281 ? 5.425 -37.408 -15.988 1.00 61.61 ? 257 ARG A NH1 1 ATOM 1809 N NH2 . ARG A 1 281 ? 7.557 -38.021 -15.397 1.00 67.61 ? 257 ARG A NH2 1 ATOM 1810 N N . PRO A 1 282 ? 4.043 -43.826 -17.203 1.00 74.83 ? 258 PRO A N 1 ATOM 1811 C CA . PRO A 1 282 ? 4.681 -45.140 -17.094 1.00 78.15 ? 258 PRO A CA 1 ATOM 1812 C C . PRO A 1 282 ? 5.001 -45.482 -15.648 1.00 78.80 ? 258 PRO A C 1 ATOM 1813 O O . PRO A 1 282 ? 5.426 -44.614 -14.894 1.00 77.50 ? 258 PRO A O 1 ATOM 1814 C CB . PRO A 1 282 ? 5.975 -44.954 -17.885 1.00 80.46 ? 258 PRO A CB 1 ATOM 1815 C CG . PRO A 1 282 ? 5.635 -43.937 -18.902 1.00 68.79 ? 258 PRO A CG 1 ATOM 1816 C CD . PRO A 1 282 ? 4.681 -42.992 -18.238 1.00 75.31 ? 258 PRO A CD 1 ATOM 1817 N N . GLY A 1 283 ? 4.789 -46.734 -15.267 1.00 81.29 ? 259 GLY A N 1 ATOM 1818 C CA . GLY A 1 283 ? 5.024 -47.151 -13.900 1.00 83.12 ? 259 GLY A CA 1 ATOM 1819 C C . GLY A 1 283 ? 4.132 -46.446 -12.895 1.00 81.11 ? 259 GLY A C 1 ATOM 1820 O O . GLY A 1 283 ? 4.563 -46.137 -11.786 1.00 81.23 ? 259 GLY A O 1 ATOM 1821 N N . TYR A 1 284 ? 2.887 -46.188 -13.282 1.00 79.62 ? 260 TYR A N 1 ATOM 1822 C CA . TYR A 1 284 ? 1.915 -45.615 -12.360 1.00 77.89 ? 260 TYR A CA 1 ATOM 1823 C C . TYR A 1 284 ? 0.507 -46.104 -12.651 1.00 76.82 ? 260 TYR A C 1 ATOM 1824 O O . TYR A 1 284 ? 0.214 -46.561 -13.751 1.00 77.19 ? 260 TYR A O 1 ATOM 1825 C CB . TYR A 1 284 ? 1.947 -44.086 -12.413 1.00 76.58 ? 260 TYR A CB 1 ATOM 1826 C CG . TYR A 1 284 ? 3.175 -43.483 -11.783 1.00 78.20 ? 260 TYR A CG 1 ATOM 1827 C CD1 . TYR A 1 284 ? 3.256 -43.302 -10.414 1.00 78.31 ? 260 TYR A CD1 1 ATOM 1828 C CD2 . TYR A 1 284 ? 4.256 -43.100 -12.555 1.00 79.81 ? 260 TYR A CD2 1 ATOM 1829 C CE1 . TYR A 1 284 ? 4.383 -42.762 -9.833 1.00 79.43 ? 260 TYR A CE1 1 ATOM 1830 C CE2 . TYR A 1 284 ? 5.384 -42.553 -11.985 1.00 80.99 ? 260 TYR A CE2 1 ATOM 1831 C CZ . TYR A 1 284 ? 5.442 -42.386 -10.625 1.00 80.61 ? 260 TYR A CZ 1 ATOM 1832 O OH . TYR A 1 284 ? 6.564 -41.844 -10.056 1.00 81.68 ? 260 TYR A OH 1 ATOM 1833 N N . HIS A 1 285 ? -0.361 -46.005 -11.653 1.00 75.60 ? 261 HIS A N 1 ATOM 1834 C CA . HIS A 1 285 ? -1.776 -46.282 -11.844 1.00 74.19 ? 261 HIS A CA 1 ATOM 1835 C C . HIS A 1 285 ? -2.602 -45.166 -11.228 1.00 71.45 ? 261 HIS A C 1 ATOM 1836 O O . HIS A 1 285 ? -2.065 -44.132 -10.843 1.00 70.76 ? 261 HIS A O 1 ATOM 1837 C CB . HIS A 1 285 ? -2.154 -47.633 -11.242 1.00 75.93 ? 261 HIS A CB 1 ATOM 1838 C CG . HIS A 1 285 ? -1.613 -48.798 -12.006 1.00 78.63 ? 261 HIS A CG 1 ATOM 1839 N ND1 . HIS A 1 285 ? -2.340 -49.454 -12.977 1.00 79.25 ? 261 HIS A ND1 1 ATOM 1840 C CD2 . HIS A 1 285 ? -0.410 -49.418 -11.954 1.00 81.10 ? 261 HIS A CD2 1 ATOM 1841 C CE1 . HIS A 1 285 ? -1.612 -50.431 -13.486 1.00 82.03 ? 261 HIS A CE1 1 ATOM 1842 N NE2 . HIS A 1 285 ? -0.437 -50.430 -12.883 1.00 83.34 ? 261 HIS A NE2 1 ATOM 1843 N N . THR A 1 286 ? -3.909 -45.374 -11.141 1.00 70.07 ? 262 THR A N 1 ATOM 1844 C CA . THR A 1 286 ? -4.801 -44.343 -10.636 1.00 53.20 ? 262 THR A CA 1 ATOM 1845 C C . THR A 1 286 ? -4.502 -44.041 -9.176 1.00 71.06 ? 262 THR A C 1 ATOM 1846 O O . THR A 1 286 ? -4.404 -44.946 -8.361 1.00 54.76 ? 262 THR A O 1 ATOM 1847 C CB . THR A 1 286 ? -6.270 -44.745 -10.798 1.00 52.56 ? 262 THR A CB 1 ATOM 1848 O OG1 . THR A 1 286 ? -6.529 -45.043 -12.173 1.00 52.75 ? 262 THR A OG1 1 ATOM 1849 C CG2 . THR A 1 286 ? -7.174 -43.618 -10.377 1.00 50.42 ? 262 THR A CG2 1 ATOM 1850 N N . GLN A 1 287 ? -4.345 -42.761 -8.859 1.00 69.88 ? 263 GLN A N 1 ATOM 1851 C CA . GLN A 1 287 ? -4.074 -42.340 -7.490 1.00 70.14 ? 263 GLN A CA 1 ATOM 1852 C C . GLN A 1 287 ? -5.369 -42.176 -6.713 1.00 70.06 ? 263 GLN A C 1 ATOM 1853 O O . GLN A 1 287 ? -5.690 -41.078 -6.267 1.00 68.74 ? 263 GLN A O 1 ATOM 1854 C CB . GLN A 1 287 ? -3.297 -41.025 -7.480 1.00 68.74 ? 263 GLN A CB 1 ATOM 1855 C CG . GLN A 1 287 ? -2.111 -41.005 -8.431 1.00 69.09 ? 263 GLN A CG 1 ATOM 1856 C CD . GLN A 1 287 ? -1.070 -42.049 -8.092 1.00 70.61 ? 263 GLN A CD 1 ATOM 1857 O OE1 . GLN A 1 287 ? -1.185 -43.204 -8.487 1.00 71.53 ? 263 GLN A OE1 1 ATOM 1858 N NE2 . GLN A 1 287 ? -0.044 -41.645 -7.356 1.00 71.27 ? 263 GLN A NE2 1 ATOM 1859 N N . ILE A 1 288 ? -6.102 -43.276 -6.556 1.00 71.74 ? 264 ILE A N 1 ATOM 1860 C CA . ILE A 1 288 ? -7.374 -43.259 -5.846 1.00 71.91 ? 264 ILE A CA 1 ATOM 1861 C C . ILE A 1 288 ? -7.166 -42.795 -4.412 1.00 72.43 ? 264 ILE A C 1 ATOM 1862 O O . ILE A 1 288 ? -7.948 -42.007 -3.886 1.00 71.07 ? 264 ILE A O 1 ATOM 1863 C CB . ILE A 1 288 ? -8.046 -44.646 -5.847 1.00 73.86 ? 264 ILE A CB 1 ATOM 1864 C CG1 . ILE A 1 288 ? -8.079 -45.231 -7.260 1.00 74.05 ? 264 ILE A CG1 1 ATOM 1865 C CG2 . ILE A 1 288 ? -9.451 -44.559 -5.274 1.00 73.65 ? 264 ILE A CG2 1 ATOM 1866 C CD1 . ILE A 1 288 ? -8.879 -46.513 -7.383 1.00 75.38 ? 264 ILE A CD1 1 ATOM 1867 N N . THR A 1 289 ? -6.095 -43.282 -3.795 1.00 74.51 ? 265 THR A N 1 ATOM 1868 C CA . THR A 1 289 ? -5.751 -42.899 -2.433 1.00 75.31 ? 265 THR A CA 1 ATOM 1869 C C . THR A 1 289 ? -4.553 -41.954 -2.439 1.00 75.54 ? 265 THR A C 1 ATOM 1870 O O . THR A 1 289 ? -3.496 -42.262 -1.890 1.00 76.91 ? 265 THR A O 1 ATOM 1871 C CB . THR A 1 289 ? -5.437 -44.128 -1.567 1.00 77.22 ? 265 THR A CB 1 ATOM 1872 O OG1 . THR A 1 289 ? -6.345 -45.185 -1.892 1.00 77.47 ? 265 THR A OG1 1 ATOM 1873 C CG2 . THR A 1 289 ? -5.581 -43.794 -0.101 1.00 78.12 ? 265 THR A CG2 1 ATOM 1874 N N . GLY A 1 290 ? -4.726 -40.805 -3.080 1.00 74.62 ? 266 GLY A N 1 ATOM 1875 C CA . GLY A 1 290 ? -3.720 -39.762 -3.059 1.00 75.37 ? 266 GLY A CA 1 ATOM 1876 C C . GLY A 1 290 ? -4.124 -38.669 -2.093 1.00 75.90 ? 266 GLY A C 1 ATOM 1877 O O . GLY A 1 290 ? -5.202 -38.725 -1.509 1.00 76.10 ? 266 GLY A O 1 ATOM 1878 N N . PRO A 1 291 ? -3.258 -37.666 -1.915 1.00 76.46 ? 267 PRO A N 1 ATOM 1879 C CA . PRO A 1 291 ? -3.536 -36.543 -1.017 1.00 76.65 ? 267 PRO A CA 1 ATOM 1880 C C . PRO A 1 291 ? -4.499 -35.547 -1.644 1.00 75.20 ? 267 PRO A C 1 ATOM 1881 O O . PRO A 1 291 ? -4.154 -34.382 -1.821 1.00 75.20 ? 267 PRO A O 1 ATOM 1882 C CB . PRO A 1 291 ? -2.164 -35.894 -0.851 1.00 77.91 ? 267 PRO A CB 1 ATOM 1883 C CG . PRO A 1 291 ? -1.461 -36.202 -2.113 1.00 77.62 ? 267 PRO A CG 1 ATOM 1884 C CD . PRO A 1 291 ? -1.918 -37.571 -2.516 1.00 77.41 ? 267 PRO A CD 1 ATOM 1885 N N . TRP A 1 292 ? -5.700 -36.006 -1.972 1.00 74.11 ? 268 TRP A N 1 ATOM 1886 C CA . TRP A 1 292 ? -6.706 -35.142 -2.564 1.00 72.42 ? 268 TRP A CA 1 ATOM 1887 C C . TRP A 1 292 ? -7.499 -34.475 -1.457 1.00 72.69 ? 268 TRP A C 1 ATOM 1888 O O . TRP A 1 292 ? -8.353 -33.630 -1.713 1.00 72.20 ? 268 TRP A O 1 ATOM 1889 C CB . TRP A 1 292 ? -7.637 -35.962 -3.452 1.00 71.33 ? 268 TRP A CB 1 ATOM 1890 C CG . TRP A 1 292 ? -6.911 -36.895 -4.348 1.00 71.38 ? 268 TRP A CG 1 ATOM 1891 C CD1 . TRP A 1 292 ? -6.761 -38.235 -4.181 1.00 72.39 ? 268 TRP A CD1 1 ATOM 1892 C CD2 . TRP A 1 292 ? -6.217 -36.558 -5.552 1.00 71.09 ? 268 TRP A CD2 1 ATOM 1893 N NE1 . TRP A 1 292 ? -6.020 -38.759 -5.212 1.00 72.86 ? 268 TRP A NE1 1 ATOM 1894 C CE2 . TRP A 1 292 ? -5.673 -37.747 -6.068 1.00 71.89 ? 268 TRP A CE2 1 ATOM 1895 C CE3 . TRP A 1 292 ? -6.006 -35.366 -6.245 1.00 70.61 ? 268 TRP A CE3 1 ATOM 1896 C CZ2 . TRP A 1 292 ? -4.929 -37.778 -7.247 1.00 71.77 ? 268 TRP A CZ2 1 ATOM 1897 C CZ3 . TRP A 1 292 ? -5.268 -35.399 -7.415 1.00 70.56 ? 268 TRP A CZ3 1 ATOM 1898 C CH2 . TRP A 1 292 ? -4.740 -36.595 -7.904 1.00 70.96 ? 268 TRP A CH2 1 ATOM 1899 N N . HIS A 1 293 ? -7.197 -34.864 -0.221 1.00 73.78 ? 269 HIS A N 1 ATOM 1900 C CA . HIS A 1 293 ? -7.862 -34.326 0.960 1.00 74.40 ? 269 HIS A CA 1 ATOM 1901 C C . HIS A 1 293 ? -7.368 -32.919 1.269 1.00 75.19 ? 269 HIS A C 1 ATOM 1902 O O . HIS A 1 293 ? -7.810 -32.288 2.229 1.00 76.17 ? 269 HIS A O 1 ATOM 1903 C CB . HIS A 1 293 ? -7.604 -35.234 2.159 1.00 75.51 ? 269 HIS A CB 1 ATOM 1904 C CG . HIS A 1 293 ? -6.158 -35.346 2.531 1.00 76.10 ? 269 HIS A CG 1 ATOM 1905 N ND1 . HIS A 1 293 ? -5.340 -36.346 2.050 1.00 76.04 ? 269 HIS A ND1 1 ATOM 1906 C CD2 . HIS A 1 293 ? -5.386 -34.589 3.349 1.00 77.07 ? 269 HIS A CD2 1 ATOM 1907 C CE1 . HIS A 1 293 ? -4.126 -36.197 2.551 1.00 77.20 ? 269 HIS A CE1 1 ATOM 1908 N NE2 . HIS A 1 293 ? -4.128 -35.139 3.342 1.00 77.81 ? 269 HIS A NE2 1 ATOM 1909 N N . LEU A 1 294 ? -6.443 -32.446 0.443 1.00 75.02 ? 270 LEU A N 1 ATOM 1910 C CA . LEU A 1 294 ? -5.886 -31.113 0.576 1.00 75.92 ? 270 LEU A CA 1 ATOM 1911 C C . LEU A 1 294 ? -6.827 -30.088 -0.036 1.00 75.53 ? 270 LEU A C 1 ATOM 1912 O O . LEU A 1 294 ? -6.891 -28.946 0.415 1.00 76.81 ? 270 LEU A O 1 ATOM 1913 C CB . LEU A 1 294 ? -4.522 -31.040 -0.109 1.00 76.12 ? 270 LEU A CB 1 ATOM 1914 C CG . LEU A 1 294 ? -3.290 -31.558 0.636 1.00 77.92 ? 270 LEU A CG 1 ATOM 1915 C CD1 . LEU A 1 294 ? -3.395 -33.032 0.964 1.00 78.09 ? 270 LEU A CD1 1 ATOM 1916 C CD2 . LEU A 1 294 ? -2.032 -31.294 -0.172 1.00 78.29 ? 270 LEU A CD2 1 ATOM 1917 N N . GLY A 1 295 ? -7.556 -30.501 -1.067 1.00 74.22 ? 271 GLY A N 1 ATOM 1918 C CA . GLY A 1 295 ? -8.423 -29.593 -1.794 1.00 73.78 ? 271 GLY A CA 1 ATOM 1919 C C . GLY A 1 295 ? -7.645 -28.784 -2.811 1.00 73.86 ? 271 GLY A C 1 ATOM 1920 O O . GLY A 1 295 ? -8.033 -28.699 -3.973 1.00 72.98 ? 271 GLY A O 1 ATOM 1921 N N . LYS A 1 296 ? -6.543 -28.188 -2.370 1.00 75.46 ? 272 LYS A N 1 ATOM 1922 C CA . LYS A 1 296 ? -5.693 -27.395 -3.247 1.00 76.38 ? 272 LYS A CA 1 ATOM 1923 C C . LYS A 1 296 ? -4.264 -27.935 -3.220 1.00 76.81 ? 272 LYS A C 1 ATOM 1924 O O . LYS A 1 296 ? -3.607 -27.911 -2.178 1.00 78.63 ? 272 LYS A O 1 ATOM 1925 C CB . LYS A 1 296 ? -5.727 -25.920 -2.828 1.00 78.84 ? 272 LYS A CB 1 ATOM 1926 C CG . LYS A 1 296 ? -4.775 -25.014 -3.602 1.00 80.50 ? 272 LYS A CG 1 ATOM 1927 C CD . LYS A 1 296 ? -4.975 -23.539 -3.242 1.00 82.81 ? 272 LYS A CD 1 ATOM 1928 C CE . LYS A 1 296 ? -4.004 -22.647 -4.008 1.00 84.33 ? 272 LYS A CE 1 ATOM 1929 N NZ . LYS A 1 296 ? -4.250 -21.197 -3.782 1.00 86.50 ? 272 LYS A NZ 1 ATOM 1930 N N . LEU A 1 297 ? -3.792 -28.426 -4.366 1.00 74.89 ? 273 LEU A N 1 ATOM 1931 C CA . LEU A 1 297 ? -2.465 -29.036 -4.464 1.00 73.85 ? 273 LEU A CA 1 ATOM 1932 C C . LEU A 1 297 ? -1.846 -28.882 -5.851 1.00 72.38 ? 273 LEU A C 1 ATOM 1933 O O . LEU A 1 297 ? -2.483 -28.388 -6.779 1.00 71.60 ? 273 LEU A O 1 ATOM 1934 C CB . LEU A 1 297 ? -2.524 -30.519 -4.106 1.00 73.07 ? 273 LEU A CB 1 ATOM 1935 C CG . LEU A 1 297 ? -3.257 -31.437 -5.084 1.00 71.51 ? 273 LEU A CG 1 ATOM 1936 C CD1 . LEU A 1 297 ? -2.679 -32.840 -5.031 1.00 71.98 ? 273 LEU A CD1 1 ATOM 1937 C CD2 . LEU A 1 297 ? -4.738 -31.472 -4.771 1.00 70.43 ? 273 LEU A CD2 1 ATOM 1938 N N . GLU A 1 298 ? -0.600 -29.323 -5.981 1.00 72.14 ? 274 GLU A N 1 ATOM 1939 C CA . GLU A 1 298 ? 0.139 -29.197 -7.226 1.00 71.52 ? 274 GLU A CA 1 ATOM 1940 C C . GLU A 1 298 ? 0.946 -30.462 -7.490 1.00 71.33 ? 274 GLU A C 1 ATOM 1941 O O . GLU A 1 298 ? 2.022 -30.655 -6.925 1.00 72.57 ? 274 GLU A O 1 ATOM 1942 C CB . GLU A 1 298 ? 1.073 -27.987 -7.165 1.00 72.95 ? 274 GLU A CB 1 ATOM 1943 C CG . GLU A 1 298 ? 1.710 -27.614 -8.495 1.00 73.22 ? 274 GLU A CG 1 ATOM 1944 C CD . GLU A 1 298 ? 0.735 -26.946 -9.441 1.00 71.83 ? 274 GLU A CD 1 ATOM 1945 O OE1 . GLU A 1 298 ? -0.200 -26.274 -8.963 1.00 71.15 ? 274 GLU A OE1 1 ATOM 1946 O OE2 . GLU A 1 298 ? 0.904 -27.091 -10.666 1.00 71.61 ? 274 GLU A OE2 1 ATOM 1947 N N . MET A 1 299 ? 0.415 -31.324 -8.348 1.00 70.04 ? 275 MET A N 1 ATOM 1948 C CA . MET A 1 299 ? 1.095 -32.558 -8.712 1.00 70.36 ? 275 MET A CA 1 ATOM 1949 C C . MET A 1 299 ? 2.156 -32.296 -9.768 1.00 70.98 ? 275 MET A C 1 ATOM 1950 O O . MET A 1 299 ? 1.917 -31.576 -10.736 1.00 70.78 ? 275 MET A O 1 ATOM 1951 C CB . MET A 1 299 ? 0.094 -33.583 -9.242 1.00 69.38 ? 275 MET A CB 1 ATOM 1952 C CG . MET A 1 299 ? 0.736 -34.840 -9.787 1.00 70.58 ? 275 MET A CG 1 ATOM 1953 S SD . MET A 1 299 ? -0.390 -35.857 -10.754 1.00 98.42 ? 275 MET A SD 1 ATOM 1954 C CE . MET A 1 299 ? -1.707 -36.117 -9.576 1.00 48.92 ? 275 MET A CE 1 ATOM 1955 N N . ASP A 1 300 ? 3.332 -32.878 -9.572 1.00 71.97 ? 276 ASP A N 1 ATOM 1956 C CA . ASP A 1 300 ? 4.390 -32.808 -10.572 1.00 72.80 ? 276 ASP A CA 1 ATOM 1957 C C . ASP A 1 300 ? 5.260 -34.053 -10.503 1.00 73.59 ? 276 ASP A C 1 ATOM 1958 O O . ASP A 1 300 ? 5.011 -34.944 -9.694 1.00 73.18 ? 276 ASP A O 1 ATOM 1959 C CB . ASP A 1 300 ? 5.235 -31.544 -10.397 1.00 73.69 ? 276 ASP A CB 1 ATOM 1960 C CG . ASP A 1 300 ? 5.813 -31.416 -9.004 1.00 74.22 ? 276 ASP A CG 1 ATOM 1961 O OD1 . ASP A 1 300 ? 5.097 -31.724 -8.030 1.00 73.45 ? 276 ASP A OD1 1 ATOM 1962 O OD2 . ASP A 1 300 ? 6.984 -31.003 -8.883 1.00 75.54 ? 276 ASP A OD2 1 ATOM 1963 N N . PHE A 1 301 ? 6.274 -34.118 -11.355 1.00 75.16 ? 277 PHE A N 1 ATOM 1964 C CA . PHE A 1 301 ? 7.125 -35.296 -11.400 1.00 77.06 ? 277 PHE A CA 1 ATOM 1965 C C . PHE A 1 301 ? 8.582 -34.968 -11.131 1.00 78.98 ? 277 PHE A C 1 ATOM 1966 O O . PHE A 1 301 ? 9.380 -34.801 -12.049 1.00 80.20 ? 277 PHE A O 1 ATOM 1967 C CB . PHE A 1 301 ? 6.948 -36.029 -12.723 1.00 78.15 ? 277 PHE A CB 1 ATOM 1968 C CG . PHE A 1 301 ? 5.632 -36.729 -12.835 1.00 77.08 ? 277 PHE A CG 1 ATOM 1969 C CD1 . PHE A 1 301 ? 4.514 -36.056 -13.289 1.00 75.28 ? 277 PHE A CD1 1 ATOM 1970 C CD2 . PHE A 1 301 ? 5.506 -38.054 -12.458 1.00 78.14 ? 277 PHE A CD2 1 ATOM 1971 C CE1 . PHE A 1 301 ? 3.297 -36.695 -13.385 1.00 73.98 ? 277 PHE A CE1 1 ATOM 1972 C CE2 . PHE A 1 301 ? 4.292 -38.696 -12.547 1.00 76.87 ? 277 PHE A CE2 1 ATOM 1973 C CZ . PHE A 1 301 ? 3.185 -38.016 -13.015 1.00 74.70 ? 277 PHE A CZ 1 ATOM 1974 N N . ASP A 1 302 ? 8.907 -34.881 -9.847 1.00 79.51 ? 278 ASP A N 1 ATOM 1975 C CA . ASP A 1 302 ? 10.247 -34.562 -9.392 1.00 82.14 ? 278 ASP A CA 1 ATOM 1976 C C . ASP A 1 302 ? 10.378 -35.103 -7.975 1.00 83.19 ? 278 ASP A C 1 ATOM 1977 O O . ASP A 1 302 ? 9.409 -35.609 -7.411 1.00 81.63 ? 278 ASP A O 1 ATOM 1978 C CB . ASP A 1 302 ? 10.459 -33.047 -9.413 1.00 81.93 ? 278 ASP A CB 1 ATOM 1979 C CG . ASP A 1 302 ? 11.901 -32.654 -9.174 1.00 84.47 ? 278 ASP A CG 1 ATOM 1980 O OD1 . ASP A 1 302 ? 12.790 -33.508 -9.361 1.00 86.20 ? 278 ASP A OD1 1 ATOM 1981 O OD2 . ASP A 1 302 ? 12.145 -31.489 -8.805 1.00 85.01 ? 278 ASP A OD2 1 ATOM 1982 N N . PHE A 1 303 ? 11.572 -35.010 -7.403 1.00 85.86 ? 279 PHE A N 1 ATOM 1983 C CA . PHE A 1 303 ? 11.778 -35.440 -6.030 1.00 86.68 ? 279 PHE A CA 1 ATOM 1984 C C . PHE A 1 303 ? 11.300 -34.366 -5.070 1.00 85.99 ? 279 PHE A C 1 ATOM 1985 O O . PHE A 1 303 ? 11.486 -33.177 -5.320 1.00 85.94 ? 279 PHE A O 1 ATOM 1986 C CB . PHE A 1 303 ? 13.257 -35.718 -5.766 1.00 89.49 ? 279 PHE A CB 1 ATOM 1987 C CG . PHE A 1 303 ? 13.838 -36.798 -6.627 1.00 90.65 ? 279 PHE A CG 1 ATOM 1988 C CD1 . PHE A 1 303 ? 13.522 -38.126 -6.400 1.00 90.67 ? 279 PHE A CD1 1 ATOM 1989 C CD2 . PHE A 1 303 ? 14.721 -36.485 -7.648 1.00 92.09 ? 279 PHE A CD2 1 ATOM 1990 C CE1 . PHE A 1 303 ? 14.064 -39.124 -7.187 1.00 92.40 ? 279 PHE A CE1 1 ATOM 1991 C CE2 . PHE A 1 303 ? 15.266 -37.476 -8.437 1.00 93.75 ? 279 PHE A CE2 1 ATOM 1992 C CZ . PHE A 1 303 ? 14.938 -38.798 -8.206 1.00 93.93 ? 279 PHE A CZ 1 ATOM 1993 N N . CYS A 1 304 ? 10.683 -34.785 -3.972 1.00 85.99 ? 280 CYS A N 1 ATOM 1994 C CA . CYS A 1 304 ? 10.366 -33.856 -2.901 1.00 86.41 ? 280 CYS A CA 1 ATOM 1995 C C . CYS A 1 304 ? 11.679 -33.295 -2.386 1.00 89.60 ? 280 CYS A C 1 ATOM 1996 O O . CYS A 1 304 ? 12.711 -33.961 -2.460 1.00 91.75 ? 280 CYS A O 1 ATOM 1997 C CB . CYS A 1 304 ? 9.617 -34.555 -1.770 1.00 86.13 ? 280 CYS A CB 1 ATOM 1998 S SG . CYS A 1 304 ? 7.946 -35.093 -2.176 1.00 96.78 ? 280 CYS A SG 1 ATOM 1999 N N . ASP A 1 305 ? 11.645 -32.069 -1.879 1.00 90.08 ? 281 ASP A N 1 ATOM 2000 C CA . ASP A 1 305 ? 12.854 -31.421 -1.392 1.00 93.16 ? 281 ASP A CA 1 ATOM 2001 C C . ASP A 1 305 ? 13.485 -32.208 -0.248 1.00 96.09 ? 281 ASP A C 1 ATOM 2002 O O . ASP A 1 305 ? 12.829 -32.508 0.748 1.00 95.76 ? 281 ASP A O 1 ATOM 2003 C CB . ASP A 1 305 ? 12.546 -29.990 -0.953 1.00 92.53 ? 281 ASP A CB 1 ATOM 2004 C CG . ASP A 1 305 ? 12.057 -29.128 -2.096 1.00 90.76 ? 281 ASP A CG 1 ATOM 2005 O OD1 . ASP A 1 305 ? 12.533 -29.329 -3.232 1.00 90.87 ? 281 ASP A OD1 1 ATOM 2006 O OD2 . ASP A 1 305 ? 11.197 -28.254 -1.865 1.00 89.42 ? 281 ASP A OD2 1 ATOM 2007 N N . GLY A 1 306 ? 14.756 -32.559 -0.410 1.00 99.36 ? 282 GLY A N 1 ATOM 2008 C CA . GLY A 1 306 ? 15.491 -33.255 0.629 1.00 102.85 ? 282 GLY A CA 1 ATOM 2009 C C . GLY A 1 306 ? 15.197 -34.739 0.731 1.00 104.07 ? 282 GLY A C 1 ATOM 2010 O O . GLY A 1 306 ? 15.529 -35.369 1.733 1.00 105.81 ? 282 GLY A O 1 ATOM 2011 N N . THR A 1 307 ? 14.579 -35.302 -0.302 1.00 103.83 ? 283 THR A N 1 ATOM 2012 C CA . THR A 1 307 ? 14.272 -36.729 -0.307 1.00 105.49 ? 283 THR A CA 1 ATOM 2013 C C . THR A 1 307 ? 14.906 -37.446 -1.491 1.00 108.53 ? 283 THR A C 1 ATOM 2014 O O . THR A 1 307 ? 15.190 -36.839 -2.521 1.00 107.90 ? 283 THR A O 1 ATOM 2015 C CB . THR A 1 307 ? 12.763 -36.984 -0.334 1.00 102.38 ? 283 THR A CB 1 ATOM 2016 O OG1 . THR A 1 307 ? 12.203 -36.414 -1.523 1.00 100.29 ? 283 THR A OG1 1 ATOM 2017 C CG2 . THR A 1 307 ? 12.101 -36.364 0.879 1.00 101.65 ? 283 THR A CG2 1 ATOM 2018 N N . THR A 1 308 ? 15.125 -38.746 -1.331 1.00 112.46 ? 284 THR A N 1 ATOM 2019 C CA . THR A 1 308 ? 15.702 -39.566 -2.386 1.00 116.28 ? 284 THR A CA 1 ATOM 2020 C C . THR A 1 308 ? 14.830 -40.797 -2.621 1.00 118.70 ? 284 THR A C 1 ATOM 2021 O O . THR A 1 308 ? 14.475 -41.500 -1.676 1.00 119.75 ? 284 THR A O 1 ATOM 2022 C CB . THR A 1 308 ? 17.126 -40.018 -2.024 1.00 119.67 ? 284 THR A CB 1 ATOM 2023 O OG1 . THR A 1 308 ? 17.088 -40.802 -0.825 1.00 120.90 ? 284 THR A OG1 1 ATOM 2024 C CG2 . THR A 1 308 ? 18.029 -38.815 -1.802 1.00 120.74 ? 284 THR A CG2 1 ATOM 2025 N N . VAL A 1 309 ? 14.477 -41.050 -3.878 1.00 119.74 ? 285 VAL A N 1 ATOM 2026 C CA . VAL A 1 309 ? 13.678 -42.223 -4.225 1.00 119.51 ? 285 VAL A CA 1 ATOM 2027 C C . VAL A 1 309 ? 14.448 -43.118 -5.190 1.00 121.34 ? 285 VAL A C 1 ATOM 2028 O O . VAL A 1 309 ? 15.020 -42.638 -6.168 1.00 123.03 ? 285 VAL A O 1 ATOM 2029 C CB . VAL A 1 309 ? 12.331 -41.828 -4.867 1.00 116.29 ? 285 VAL A CB 1 ATOM 2030 C CG1 . VAL A 1 309 ? 11.454 -43.054 -5.076 1.00 115.72 ? 285 VAL A CG1 1 ATOM 2031 C CG2 . VAL A 1 309 ? 11.613 -40.807 -4.006 1.00 114.39 ? 285 VAL A CG2 1 ATOM 2032 N N . VAL A 1 310 ? 14.471 -44.417 -4.909 1.00 119.49 ? 286 VAL A N 1 ATOM 2033 C CA . VAL A 1 310 ? 15.118 -45.371 -5.801 1.00 119.61 ? 286 VAL A CA 1 ATOM 2034 C C . VAL A 1 310 ? 14.134 -46.457 -6.212 1.00 117.68 ? 286 VAL A C 1 ATOM 2035 O O . VAL A 1 310 ? 13.089 -46.620 -5.591 1.00 116.27 ? 286 VAL A O 1 ATOM 2036 C CB . VAL A 1 310 ? 16.349 -46.018 -5.144 1.00 123.36 ? 286 VAL A CB 1 ATOM 2037 C CG1 . VAL A 1 310 ? 17.430 -44.978 -4.902 1.00 124.24 ? 286 VAL A CG1 1 ATOM 2038 C CG2 . VAL A 1 310 ? 15.957 -46.699 -3.844 1.00 124.04 ? 286 VAL A CG2 1 ATOM 2039 N N . VAL A 1 311 ? 14.462 -47.193 -7.265 1.00 118.09 ? 287 VAL A N 1 ATOM 2040 C CA . VAL A 1 311 ? 13.607 -48.287 -7.702 1.00 117.27 ? 287 VAL A CA 1 ATOM 2041 C C . VAL A 1 311 ? 14.193 -49.610 -7.234 1.00 121.55 ? 287 VAL A C 1 ATOM 2042 O O . VAL A 1 311 ? 15.368 -49.892 -7.470 1.00 124.93 ? 287 VAL A O 1 ATOM 2043 C CB . VAL A 1 311 ? 13.455 -48.310 -9.230 1.00 116.05 ? 287 VAL A CB 1 ATOM 2044 C CG1 . VAL A 1 311 ? 12.369 -49.291 -9.637 1.00 115.35 ? 287 VAL A CG1 1 ATOM 2045 C CG2 . VAL A 1 311 ? 13.131 -46.921 -9.746 1.00 112.77 ? 287 VAL A CG2 1 ATOM 2046 N N . THR A 1 312 ? 13.380 -50.416 -6.560 1.00 121.92 ? 288 THR A N 1 ATOM 2047 C CA . THR A 1 312 ? 13.830 -51.726 -6.102 1.00 126.49 ? 288 THR A CA 1 ATOM 2048 C C . THR A 1 312 ? 12.675 -52.691 -5.888 1.00 126.40 ? 288 THR A C 1 ATOM 2049 O O . THR A 1 312 ? 11.562 -52.285 -5.557 1.00 123.12 ? 288 THR A O 1 ATOM 2050 C CB . THR A 1 312 ? 14.642 -51.632 -4.797 1.00 128.66 ? 288 THR A CB 1 ATOM 2051 O OG1 . THR A 1 312 ? 14.915 -52.952 -4.310 1.00 101.82 ? 288 THR A OG1 1 ATOM 2052 C CG2 . THR A 1 312 ? 13.868 -50.866 -3.743 1.00 125.80 ? 288 THR A CG2 1 ATOM 2053 N N . GLU A 1 313 ? 12.957 -53.974 -6.086 1.00 130.21 ? 289 GLU A N 1 ATOM 2054 C CA . GLU A 1 313 ? 12.000 -55.033 -5.804 1.00 131.05 ? 289 GLU A CA 1 ATOM 2055 C C . GLU A 1 313 ? 11.788 -55.128 -4.298 1.00 131.77 ? 289 GLU A C 1 ATOM 2056 O O . GLU A 1 313 ? 10.698 -55.462 -3.831 1.00 130.52 ? 289 GLU A O 1 ATOM 2057 C CB . GLU A 1 313 ? 12.524 -56.365 -6.346 1.00 135.10 ? 289 GLU A CB 1 ATOM 2058 C CG . GLU A 1 313 ? 11.737 -57.591 -5.904 1.00 136.72 ? 289 GLU A CG 1 ATOM 2059 C CD . GLU A 1 313 ? 12.578 -58.855 -5.910 1.00 142.22 ? 289 GLU A CD 1 ATOM 2060 O OE1 . GLU A 1 313 ? 12.023 -59.946 -5.655 1.00 144.68 ? 289 GLU A OE1 1 ATOM 2061 O OE2 . GLU A 1 313 ? 13.797 -58.757 -6.164 1.00 144.45 ? 289 GLU A OE2 1 ATOM 2062 N N . ASP A 1 314 ? 12.839 -54.814 -3.545 1.00 134.08 ? 290 ASP A N 1 ATOM 2063 C CA . ASP A 1 314 ? 12.805 -54.894 -2.088 1.00 135.57 ? 290 ASP A CA 1 ATOM 2064 C C . ASP A 1 314 ? 11.768 -53.963 -1.463 1.00 132.74 ? 290 ASP A C 1 ATOM 2065 O O . ASP A 1 314 ? 11.379 -54.143 -0.310 1.00 133.29 ? 290 ASP A O 1 ATOM 2066 C CB . ASP A 1 314 ? 14.187 -54.591 -1.503 1.00 137.40 ? 290 ASP A CB 1 ATOM 2067 C CG . ASP A 1 314 ? 15.219 -55.634 -1.873 1.00 141.94 ? 290 ASP A CG 1 ATOM 2068 O OD1 . ASP A 1 314 ? 15.054 -56.286 -2.923 1.00 142.85 ? 290 ASP A OD1 1 ATOM 2069 O OD2 . ASP A 1 314 ? 16.196 -55.800 -1.114 1.00 144.83 ? 290 ASP A OD2 1 ATOM 2070 N N . CYS A 1 315 ? 11.324 -52.967 -2.220 1.00 129.89 ? 291 CYS A N 1 ATOM 2071 C CA . CYS A 1 315 ? 10.319 -52.044 -1.716 1.00 126.73 ? 291 CYS A CA 1 ATOM 2072 C C . CYS A 1 315 ? 8.978 -52.753 -1.583 1.00 126.04 ? 291 CYS A C 1 ATOM 2073 O O . CYS A 1 315 ? 8.760 -53.795 -2.197 1.00 128.00 ? 291 CYS A O 1 ATOM 2074 C CB . CYS A 1 315 ? 10.188 -50.838 -2.639 1.00 123.85 ? 291 CYS A CB 1 ATOM 2075 S SG . CYS A 1 315 ? 9.436 -49.421 -1.839 1.00 144.82 ? 291 CYS A SG 1 ATOM 2076 N N . GLY A 1 316 ? 8.082 -52.190 -0.777 1.00 123.21 ? 292 GLY A N 1 ATOM 2077 C CA . GLY A 1 316 ? 6.780 -52.793 -0.552 1.00 122.18 ? 292 GLY A CA 1 ATOM 2078 C C . GLY A 1 316 ? 5.823 -52.573 -1.706 1.00 118.83 ? 292 GLY A C 1 ATOM 2079 O O . GLY A 1 316 ? 6.235 -52.182 -2.795 1.00 118.25 ? 292 GLY A O 1 ATOM 2080 N N . ASN A 1 317 ? 4.541 -52.827 -1.465 1.00 116.94 ? 293 ASN A N 1 ATOM 2081 C CA . ASN A 1 317 ? 3.514 -52.642 -2.486 1.00 113.55 ? 293 ASN A CA 1 ATOM 2082 C C . ASN A 1 317 ? 2.905 -51.241 -2.417 1.00 109.28 ? 293 ASN A C 1 ATOM 2083 O O . ASN A 1 317 ? 3.128 -50.512 -1.452 1.00 108.91 ? 293 ASN A O 1 ATOM 2084 C CB . ASN A 1 317 ? 2.424 -53.708 -2.335 1.00 113.80 ? 293 ASN A CB 1 ATOM 2085 C CG . ASN A 1 317 ? 1.558 -53.843 -3.578 1.00 111.33 ? 293 ASN A CG 1 ATOM 2086 O OD1 . ASN A 1 317 ? 1.846 -53.253 -4.620 1.00 109.38 ? 293 ASN A OD1 1 ATOM 2087 N ND2 . ASN A 1 317 ? 0.495 -54.630 -3.474 1.00 111.58 ? 293 ASN A ND2 1 ATOM 2088 N N . ARG A 1 318 ? 2.144 -50.869 -3.443 1.00 106.16 ? 294 ARG A N 1 ATOM 2089 C CA . ARG A 1 318 ? 1.491 -49.563 -3.496 1.00 101.64 ? 294 ARG A CA 1 ATOM 2090 C C . ARG A 1 318 ? 0.377 -49.427 -2.461 1.00 99.10 ? 294 ARG A C 1 ATOM 2091 O O . ARG A 1 318 ? -0.462 -50.316 -2.321 1.00 99.98 ? 294 ARG A O 1 ATOM 2092 C CB . ARG A 1 318 ? 0.927 -49.308 -4.897 1.00 100.30 ? 294 ARG A CB 1 ATOM 2093 C CG . ARG A 1 318 ? 0.182 -50.493 -5.487 1.00 101.89 ? 294 ARG A CG 1 ATOM 2094 C CD . ARG A 1 318 ? -0.351 -50.201 -6.882 1.00 100.22 ? 294 ARG A CD 1 ATOM 2095 N NE . ARG A 1 318 ? -1.693 -49.626 -6.858 1.00 97.33 ? 294 ARG A NE 1 ATOM 2096 C CZ . ARG A 1 318 ? -1.953 -48.327 -6.954 1.00 94.34 ? 294 ARG A CZ 1 ATOM 2097 N NH1 . ARG A 1 318 ? -3.206 -47.897 -6.923 1.00 92.14 ? 294 ARG A NH1 1 ATOM 2098 N NH2 . ARG A 1 318 ? -0.962 -47.456 -7.082 1.00 93.84 ? 294 ARG A NH2 1 ATOM 2099 N N . GLY A 1 319 ? 0.378 -48.308 -1.742 1.00 95.97 ? 295 GLY A N 1 ATOM 2100 C CA . GLY A 1 319 ? -0.657 -48.018 -0.765 1.00 93.90 ? 295 GLY A CA 1 ATOM 2101 C C . GLY A 1 319 ? -0.974 -46.536 -0.732 1.00 90.58 ? 295 GLY A C 1 ATOM 2102 O O . GLY A 1 319 ? -0.563 -45.803 -1.623 1.00 89.25 ? 295 GLY A O 1 ATOM 2103 N N . PRO A 1 320 ? -1.705 -46.087 0.299 1.00 89.38 ? 296 PRO A N 1 ATOM 2104 C CA . PRO A 1 320 ? -2.076 -44.676 0.454 1.00 86.93 ? 296 PRO A CA 1 ATOM 2105 C C . PRO A 1 320 ? -0.854 -43.776 0.396 1.00 86.81 ? 296 PRO A C 1 ATOM 2106 O O . PRO A 1 320 ? 0.185 -44.139 0.939 1.00 89.53 ? 296 PRO A O 1 ATOM 2107 C CB . PRO A 1 320 ? -2.675 -44.632 1.861 1.00 87.79 ? 296 PRO A CB 1 ATOM 2108 C CG . PRO A 1 320 ? -3.180 -46.006 2.100 1.00 89.62 ? 296 PRO A CG 1 ATOM 2109 C CD . PRO A 1 320 ? -2.207 -46.916 1.409 1.00 91.35 ? 296 PRO A CD 1 ATOM 2110 N N . SER A 1 321 ? -0.976 -42.627 -0.258 1.00 84.10 ? 297 SER A N 1 ATOM 2111 C CA . SER A 1 321 ? 0.136 -41.697 -0.381 1.00 83.84 ? 297 SER A CA 1 ATOM 2112 C C . SER A 1 321 ? 0.641 -41.293 0.991 1.00 85.16 ? 297 SER A C 1 ATOM 2113 O O . SER A 1 321 ? -0.133 -41.186 1.938 1.00 85.37 ? 297 SER A O 1 ATOM 2114 C CB . SER A 1 321 ? -0.293 -40.448 -1.144 1.00 81.70 ? 297 SER A CB 1 ATOM 2115 O OG . SER A 1 321 ? -0.862 -40.783 -2.393 1.00 80.56 ? 297 SER A OG 1 ATOM 2116 N N . LEU A 1 322 ? 1.943 -41.071 1.095 1.00 86.24 ? 298 LEU A N 1 ATOM 2117 C CA . LEU A 1 322 ? 2.536 -40.667 2.357 1.00 87.65 ? 298 LEU A CA 1 ATOM 2118 C C . LEU A 1 322 ? 3.239 -39.334 2.184 1.00 86.91 ? 298 LEU A C 1 ATOM 2119 O O . LEU A 1 322 ? 3.551 -38.933 1.066 1.00 85.65 ? 298 LEU A O 1 ATOM 2120 C CB . LEU A 1 322 ? 3.526 -41.726 2.837 1.00 90.67 ? 298 LEU A CB 1 ATOM 2121 C CG . LEU A 1 322 ? 2.938 -43.113 3.092 1.00 91.62 ? 298 LEU A CG 1 ATOM 2122 C CD1 . LEU A 1 322 ? 4.036 -44.148 3.213 1.00 94.39 ? 298 LEU A CD1 1 ATOM 2123 C CD2 . LEU A 1 322 ? 2.089 -43.098 4.344 1.00 91.88 ? 298 LEU A CD2 1 ATOM 2124 N N . ARG A 1 323 ? 3.483 -38.649 3.295 1.00 87.95 ? 299 ARG A N 1 ATOM 2125 C CA . ARG A 1 323 ? 4.197 -37.380 3.263 1.00 88.00 ? 299 ARG A CA 1 ATOM 2126 C C . ARG A 1 323 ? 5.624 -37.539 3.773 1.00 89.88 ? 299 ARG A C 1 ATOM 2127 O O . ARG A 1 323 ? 5.918 -38.438 4.558 1.00 91.55 ? 299 ARG A O 1 ATOM 2128 C CB . ARG A 1 323 ? 3.452 -36.325 4.085 1.00 87.85 ? 299 ARG A CB 1 ATOM 2129 C CG . ARG A 1 323 ? 2.958 -36.830 5.426 1.00 89.40 ? 299 ARG A CG 1 ATOM 2130 C CD . ARG A 1 323 ? 2.189 -35.758 6.176 1.00 89.52 ? 299 ARG A CD 1 ATOM 2131 N NE . ARG A 1 323 ? 3.035 -34.630 6.552 1.00 91.13 ? 299 ARG A NE 1 ATOM 2132 C CZ . ARG A 1 323 ? 2.678 -33.683 7.414 1.00 92.03 ? 299 ARG A CZ 1 ATOM 2133 N NH1 . ARG A 1 323 ? 1.490 -33.727 7.999 1.00 91.70 ? 299 ARG A NH1 1 ATOM 2134 N NH2 . ARG A 1 323 ? 3.514 -32.694 7.696 1.00 93.46 ? 299 ARG A NH2 1 ATOM 2135 N N . THR A 1 324 ? 6.506 -36.662 3.308 1.00 89.78 ? 300 THR A N 1 ATOM 2136 C CA . THR A 1 324 ? 7.900 -36.669 3.724 1.00 92.04 ? 300 THR A CA 1 ATOM 2137 C C . THR A 1 324 ? 8.020 -36.332 5.201 1.00 93.84 ? 300 THR A C 1 ATOM 2138 O O . THR A 1 324 ? 8.786 -36.956 5.932 1.00 96.55 ? 300 THR A O 1 ATOM 2139 C CB . THR A 1 324 ? 8.707 -35.637 2.939 1.00 92.12 ? 300 THR A CB 1 ATOM 2140 O OG1 . THR A 1 324 ? 8.225 -34.324 3.250 1.00 91.39 ? 300 THR A OG1 1 ATOM 2141 C CG2 . THR A 1 324 ? 8.560 -35.874 1.455 1.00 90.55 ? 300 THR A CG2 1 ATOM 2142 N N . THR A 1 325 ? 7.260 -35.331 5.631 1.00 92.40 ? 301 THR A N 1 ATOM 2143 C CA . THR A 1 325 ? 7.288 -34.888 7.017 1.00 93.37 ? 301 THR A CA 1 ATOM 2144 C C . THR A 1 325 ? 6.381 -35.747 7.888 1.00 92.32 ? 301 THR A C 1 ATOM 2145 O O . THR A 1 325 ? 5.206 -35.936 7.584 1.00 90.33 ? 301 THR A O 1 ATOM 2146 C CB . THR A 1 325 ? 6.860 -33.420 7.149 1.00 93.36 ? 301 THR A CB 1 ATOM 2147 O OG1 . THR A 1 325 ? 5.529 -33.263 6.646 1.00 91.11 ? 301 THR A OG1 1 ATOM 2148 C CG2 . THR A 1 325 ? 7.796 -32.523 6.363 1.00 93.96 ? 301 THR A CG2 1 ATOM 2149 N N . THR A 1 326 ? 6.944 -36.266 8.973 1.00 93.59 ? 302 THR A N 1 ATOM 2150 C CA . THR A 1 326 ? 6.185 -37.033 9.950 1.00 93.24 ? 302 THR A CA 1 ATOM 2151 C C . THR A 1 326 ? 5.235 -36.083 10.667 1.00 93.36 ? 302 THR A C 1 ATOM 2152 O O . THR A 1 326 ? 5.428 -34.869 10.629 1.00 92.93 ? 302 THR A O 1 ATOM 2153 C CB . THR A 1 326 ? 7.132 -37.678 10.981 1.00 94.94 ? 302 THR A CB 1 ATOM 2154 O OG1 . THR A 1 326 ? 8.234 -38.288 10.300 1.00 95.44 ? 302 THR A OG1 1 ATOM 2155 C CG2 . THR A 1 326 ? 6.420 -38.732 11.809 1.00 95.28 ? 302 THR A CG2 1 ATOM 2156 N N . ALA A 1 327 ? 4.207 -36.629 11.310 1.00 94.63 ? 303 ALA A N 1 ATOM 2157 C CA . ALA A 1 327 ? 3.328 -35.831 12.153 1.00 96.12 ? 303 ALA A CA 1 ATOM 2158 C C . ALA A 1 327 ? 4.146 -35.143 13.241 1.00 100.25 ? 303 ALA A C 1 ATOM 2159 O O . ALA A 1 327 ? 3.843 -34.023 13.647 1.00 100.56 ? 303 ALA A O 1 ATOM 2160 C CB . ALA A 1 327 ? 2.253 -36.704 12.769 1.00 96.30 ? 303 ALA A CB 1 ATOM 2161 N N . SER A 1 328 ? 5.191 -35.826 13.700 1.00 103.99 ? 304 SER A N 1 ATOM 2162 C CA . SER A 1 328 ? 6.090 -35.286 14.710 1.00 108.80 ? 304 SER A CA 1 ATOM 2163 C C . SER A 1 328 ? 7.063 -34.279 14.114 1.00 109.75 ? 304 SER A C 1 ATOM 2164 O O . SER A 1 328 ? 7.697 -33.521 14.842 1.00 85.57 ? 304 SER A O 1 ATOM 2165 C CB . SER A 1 328 ? 6.874 -36.412 15.373 1.00 112.14 ? 304 SER A CB 1 ATOM 2166 O OG . SER A 1 328 ? 7.614 -37.146 14.414 1.00 112.38 ? 304 SER A OG 1 ATOM 2167 N N . GLY A 1 329 ? 7.185 -34.278 12.790 1.00 108.55 ? 305 GLY A N 1 ATOM 2168 C CA . GLY A 1 329 ? 8.062 -33.339 12.116 1.00 110.23 ? 305 GLY A CA 1 ATOM 2169 C C . GLY A 1 329 ? 9.334 -33.972 11.585 1.00 111.82 ? 305 GLY A C 1 ATOM 2170 O O . GLY A 1 329 ? 10.169 -33.297 10.980 1.00 111.94 ? 305 GLY A O 1 ATOM 2171 N N . LYS A 1 330 ? 9.481 -35.274 11.809 1.00 114.72 ? 306 LYS A N 1 ATOM 2172 C CA . LYS A 1 330 ? 10.671 -35.995 11.370 1.00 116.38 ? 306 LYS A CA 1 ATOM 2173 C C . LYS A 1 330 ? 10.675 -36.150 9.854 1.00 113.63 ? 306 LYS A C 1 ATOM 2174 O O . LYS A 1 330 ? 9.645 -36.446 9.251 1.00 111.97 ? 306 LYS A O 1 ATOM 2175 C CB . LYS A 1 330 ? 10.731 -37.371 12.035 1.00 118.40 ? 306 LYS A CB 1 ATOM 2176 C CG . LYS A 1 330 ? 12.043 -38.117 11.840 1.00 121.26 ? 306 LYS A CG 1 ATOM 2177 C CD . LYS A 1 330 ? 11.861 -39.614 12.060 1.00 122.79 ? 306 LYS A CD 1 ATOM 2178 C CE . LYS A 1 330 ? 10.993 -39.903 13.278 1.00 124.02 ? 306 LYS A CE 1 ATOM 2179 N NZ . LYS A 1 330 ? 10.664 -41.349 13.409 1.00 125.30 ? 306 LYS A NZ 1 ATOM 2180 N N . LEU A 1 331 ? 11.835 -35.950 9.239 1.00 112.05 ? 307 LEU A N 1 ATOM 2181 C CA . LEU A 1 331 ? 11.947 -36.061 7.791 1.00 108.37 ? 307 LEU A CA 1 ATOM 2182 C C . LEU A 1 331 ? 12.525 -37.404 7.371 1.00 108.90 ? 307 LEU A C 1 ATOM 2183 O O . LEU A 1 331 ? 13.495 -37.879 7.954 1.00 112.67 ? 307 LEU A O 1 ATOM 2184 C CB . LEU A 1 331 ? 12.811 -34.931 7.233 1.00 109.10 ? 307 LEU A CB 1 ATOM 2185 C CG . LEU A 1 331 ? 13.181 -35.020 5.750 1.00 109.26 ? 307 LEU A CG 1 ATOM 2186 C CD1 . LEU A 1 331 ? 11.937 -35.038 4.875 1.00 106.53 ? 307 LEU A CD1 1 ATOM 2187 C CD2 . LEU A 1 331 ? 14.099 -33.875 5.354 1.00 110.88 ? 307 LEU A CD2 1 ATOM 2188 N N . ILE A 1 332 ? 11.916 -38.014 6.361 1.00 105.61 ? 308 ILE A N 1 ATOM 2189 C CA . ILE A 1 332 ? 12.470 -39.213 5.752 1.00 105.38 ? 308 ILE A CA 1 ATOM 2190 C C . ILE A 1 332 ? 13.092 -38.839 4.417 1.00 103.14 ? 308 ILE A C 1 ATOM 2191 O O . ILE A 1 332 ? 12.503 -38.094 3.639 1.00 100.13 ? 308 ILE A O 1 ATOM 2192 C CB . ILE A 1 332 ? 11.401 -40.277 5.514 1.00 104.50 ? 308 ILE A CB 1 ATOM 2193 C CG1 . ILE A 1 332 ? 10.601 -40.521 6.789 1.00 105.35 ? 308 ILE A CG1 1 ATOM 2194 C CG2 . ILE A 1 332 ? 12.036 -41.569 5.032 1.00 106.35 ? 308 ILE A CG2 1 ATOM 2195 C CD1 . ILE A 1 332 ? 9.625 -41.650 6.658 1.00 104.84 ? 308 ILE A CD1 1 ATOM 2196 N N . THR A 1 333 ? 14.284 -39.360 4.160 1.00 104.74 ? 309 THR A N 1 ATOM 2197 C CA . THR A 1 333 ? 15.026 -39.010 2.960 1.00 104.11 ? 309 THR A CA 1 ATOM 2198 C C . THR A 1 333 ? 15.108 -40.194 2.006 1.00 104.18 ? 309 THR A C 1 ATOM 2199 O O . THR A 1 333 ? 15.309 -40.025 0.805 1.00 103.28 ? 309 THR A O 1 ATOM 2200 C CB . THR A 1 333 ? 16.449 -38.547 3.315 1.00 106.61 ? 309 THR A CB 1 ATOM 2201 O OG1 . THR A 1 333 ? 17.119 -39.582 4.044 1.00 109.53 ? 309 THR A OG1 1 ATOM 2202 C CG2 . THR A 1 333 ? 16.401 -37.293 4.171 1.00 106.28 ? 309 THR A CG2 1 ATOM 2203 N N . GLU A 1 334 ? 14.945 -41.396 2.546 1.00 105.81 ? 310 GLU A N 1 ATOM 2204 C CA . GLU A 1 334 ? 15.112 -42.603 1.749 1.00 107.21 ? 310 GLU A CA 1 ATOM 2205 C C . GLU A 1 334 ? 13.779 -43.232 1.380 1.00 104.88 ? 310 GLU A C 1 ATOM 2206 O O . GLU A 1 334 ? 13.032 -43.686 2.246 1.00 104.62 ? 310 GLU A O 1 ATOM 2207 C CB . GLU A 1 334 ? 15.992 -43.610 2.486 1.00 111.50 ? 310 GLU A CB 1 ATOM 2208 C CG . GLU A 1 334 ? 17.397 -43.096 2.751 1.00 114.76 ? 310 GLU A CG 1 ATOM 2209 C CD . GLU A 1 334 ? 18.166 -43.950 3.740 1.00 119.07 ? 310 GLU A CD 1 ATOM 2210 O OE1 . GLU A 1 334 ? 17.541 -44.515 4.662 1.00 119.46 ? 310 GLU A OE1 1 ATOM 2211 O OE2 . GLU A 1 334 ? 19.403 -44.053 3.599 1.00 122.16 ? 310 GLU A OE2 1 ATOM 2212 N N . TRP A 1 335 ? 13.494 -43.258 0.083 1.00 103.46 ? 311 TRP A N 1 ATOM 2213 C CA . TRP A 1 335 ? 12.255 -43.829 -0.428 1.00 101.50 ? 311 TRP A CA 1 ATOM 2214 C C . TRP A 1 335 ? 12.533 -44.839 -1.542 1.00 102.09 ? 311 TRP A C 1 ATOM 2215 O O . TRP A 1 335 ? 13.632 -44.893 -2.093 1.00 104.19 ? 311 TRP A O 1 ATOM 2216 C CB . TRP A 1 335 ? 11.328 -42.723 -0.941 1.00 98.62 ? 311 TRP A CB 1 ATOM 2217 C CG . TRP A 1 335 ? 10.837 -41.794 0.129 1.00 97.73 ? 311 TRP A CG 1 ATOM 2218 C CD1 . TRP A 1 335 ? 11.538 -40.789 0.728 1.00 98.54 ? 311 TRP A CD1 1 ATOM 2219 C CD2 . TRP A 1 335 ? 9.531 -41.777 0.715 1.00 95.97 ? 311 TRP A CD2 1 ATOM 2220 N NE1 . TRP A 1 335 ? 10.751 -40.154 1.657 1.00 97.39 ? 311 TRP A NE1 1 ATOM 2221 C CE2 . TRP A 1 335 ? 9.513 -40.741 1.667 1.00 95.82 ? 311 TRP A CE2 1 ATOM 2222 C CE3 . TRP A 1 335 ? 8.376 -42.539 0.528 1.00 94.86 ? 311 TRP A CE3 1 ATOM 2223 C CZ2 . TRP A 1 335 ? 8.383 -40.450 2.431 1.00 94.54 ? 311 TRP A CZ2 1 ATOM 2224 C CZ3 . TRP A 1 335 ? 7.257 -42.248 1.286 1.00 93.50 ? 311 TRP A CZ3 1 ATOM 2225 C CH2 . TRP A 1 335 ? 7.268 -41.215 2.225 1.00 93.32 ? 311 TRP A CH2 1 ATOM 2226 N N . CYS A 1 336 ? 11.522 -45.634 -1.869 1.00 100.29 ? 312 CYS A N 1 ATOM 2227 C CA . CYS A 1 336 ? 11.645 -46.658 -2.889 1.00 100.58 ? 312 CYS A CA 1 ATOM 2228 C C . CYS A 1 336 ? 10.319 -46.869 -3.601 1.00 97.50 ? 312 CYS A C 1 ATOM 2229 O O . CYS A 1 336 ? 9.255 -46.518 -3.084 1.00 95.22 ? 312 CYS A O 1 ATOM 2230 C CB . CYS A 1 336 ? 12.089 -47.974 -2.260 1.00 103.88 ? 312 CYS A CB 1 ATOM 2231 S SG . CYS A 1 336 ? 11.015 -48.538 -0.919 1.00 134.55 ? 312 CYS A SG 1 ATOM 2232 N N . CYS A 1 337 ? 10.393 -47.451 -4.791 1.00 97.52 ? 313 CYS A N 1 ATOM 2233 C CA . CYS A 1 337 ? 9.211 -47.917 -5.499 1.00 95.29 ? 313 CYS A CA 1 ATOM 2234 C C . CYS A 1 337 ? 9.578 -49.221 -6.178 1.00 97.79 ? 313 CYS A C 1 ATOM 2235 O O . CYS A 1 337 ? 10.750 -49.470 -6.460 1.00 100.81 ? 313 CYS A O 1 ATOM 2236 C CB . CYS A 1 337 ? 8.760 -46.900 -6.536 1.00 92.34 ? 313 CYS A CB 1 ATOM 2237 S SG . CYS A 1 337 ? 9.905 -46.703 -7.900 1.00 87.12 ? 313 CYS A SG 1 ATOM 2238 N N . ARG A 1 338 ? 8.582 -50.054 -6.440 1.00 96.87 ? 314 ARG A N 1 ATOM 2239 C CA . ARG A 1 338 ? 8.848 -51.382 -6.968 1.00 99.62 ? 314 ARG A CA 1 ATOM 2240 C C . ARG A 1 338 ? 8.902 -51.369 -8.492 1.00 99.23 ? 314 ARG A C 1 ATOM 2241 O O . ARG A 1 338 ? 9.569 -52.202 -9.104 1.00 101.92 ? 314 ARG A O 1 ATOM 2242 C CB . ARG A 1 338 ? 7.792 -52.369 -6.468 1.00 99.77 ? 314 ARG A CB 1 ATOM 2243 C CG . ARG A 1 338 ? 8.330 -53.761 -6.192 1.00 104.00 ? 314 ARG A CG 1 ATOM 2244 C CD . ARG A 1 338 ? 7.495 -54.474 -5.141 1.00 104.60 ? 314 ARG A CD 1 ATOM 2245 N NE . ARG A 1 338 ? 6.164 -54.829 -5.623 1.00 103.08 ? 314 ARG A NE 1 ATOM 2246 C CZ . ARG A 1 338 ? 5.257 -55.483 -4.901 1.00 103.45 ? 314 ARG A CZ 1 ATOM 2247 N NH1 . ARG A 1 338 ? 4.072 -55.770 -5.420 1.00 102.09 ? 314 ARG A NH1 1 ATOM 2248 N NH2 . ARG A 1 338 ? 5.535 -55.851 -3.659 1.00 105.30 ? 314 ARG A NH2 1 ATOM 2249 N N . SER A 1 339 ? 8.209 -50.408 -9.095 1.00 96.07 ? 315 SER A N 1 ATOM 2250 C CA . SER A 1 339 ? 8.110 -50.342 -10.548 1.00 95.87 ? 315 SER A CA 1 ATOM 2251 C C . SER A 1 339 ? 7.861 -48.932 -11.087 1.00 93.20 ? 315 SER A C 1 ATOM 2252 O O . SER A 1 339 ? 7.699 -48.755 -12.293 1.00 92.61 ? 315 SER A O 1 ATOM 2253 C CB . SER A 1 339 ? 7.013 -51.286 -11.045 1.00 95.40 ? 315 SER A CB 1 ATOM 2254 O OG . SER A 1 339 ? 7.280 -52.625 -10.667 1.00 98.43 ? 315 SER A OG 1 ATOM 2255 N N . CYS A 1 340 ? 7.839 -47.937 -10.200 1.00 91.71 ? 316 CYS A N 1 ATOM 2256 C CA . CYS A 1 340 ? 7.589 -46.552 -10.608 1.00 89.36 ? 316 CYS A CA 1 ATOM 2257 C C . CYS A 1 340 ? 8.647 -46.054 -11.592 1.00 90.88 ? 316 CYS A C 1 ATOM 2258 O O . CYS A 1 340 ? 9.690 -46.682 -11.769 1.00 93.99 ? 316 CYS A O 1 ATOM 2259 C CB . CYS A 1 340 ? 7.545 -45.622 -9.394 1.00 87.71 ? 316 CYS A CB 1 ATOM 2260 S SG . CYS A 1 340 ? 9.170 -45.065 -8.838 1.00 195.20 ? 316 CYS A SG 1 ATOM 2261 N N . THR A 1 341 ? 8.371 -44.920 -12.229 1.00 88.84 ? 317 THR A N 1 ATOM 2262 C CA . THR A 1 341 ? 9.288 -44.367 -13.219 1.00 90.21 ? 317 THR A CA 1 ATOM 2263 C C . THR A 1 341 ? 9.846 -43.008 -12.816 1.00 89.37 ? 317 THR A C 1 ATOM 2264 O O . THR A 1 341 ? 9.198 -41.979 -13.001 1.00 69.86 ? 317 THR A O 1 ATOM 2265 C CB . THR A 1 341 ? 8.632 -44.255 -14.603 1.00 89.39 ? 317 THR A CB 1 ATOM 2266 O OG1 . THR A 1 341 ? 7.361 -43.602 -14.482 1.00 69.01 ? 317 THR A OG1 1 ATOM 2267 C CG2 . THR A 1 341 ? 8.434 -45.634 -15.206 1.00 74.37 ? 317 THR A CG2 1 ATOM 2268 N N . LEU A 1 342 ? 11.058 -43.028 -12.269 1.00 92.08 ? 318 LEU A N 1 ATOM 2269 C CA . LEU A 1 342 ? 11.787 -41.820 -11.903 1.00 92.65 ? 318 LEU A CA 1 ATOM 2270 C C . LEU A 1 342 ? 11.863 -40.878 -13.102 1.00 92.05 ? 318 LEU A C 1 ATOM 2271 O O . LEU A 1 342 ? 12.065 -41.331 -14.224 1.00 93.72 ? 318 LEU A O 1 ATOM 2272 C CB . LEU A 1 342 ? 13.194 -42.205 -11.434 1.00 96.44 ? 318 LEU A CB 1 ATOM 2273 C CG . LEU A 1 342 ? 14.057 -41.233 -10.630 1.00 97.48 ? 318 LEU A CG 1 ATOM 2274 C CD1 . LEU A 1 342 ? 15.019 -42.006 -9.743 1.00 100.50 ? 318 LEU A CD1 1 ATOM 2275 C CD2 . LEU A 1 342 ? 14.831 -40.300 -11.543 1.00 98.56 ? 318 LEU A CD2 1 ATOM 2276 N N . PRO A 1 343 ? 11.694 -39.564 -12.877 1.00 90.40 ? 319 PRO A N 1 ATOM 2277 C CA . PRO A 1 343 ? 11.408 -38.878 -11.610 1.00 88.53 ? 319 PRO A CA 1 ATOM 2278 C C . PRO A 1 343 ? 10.026 -39.201 -11.056 1.00 85.60 ? 319 PRO A C 1 ATOM 2279 O O . PRO A 1 343 ? 9.087 -39.415 -11.822 1.00 84.01 ? 319 PRO A O 1 ATOM 2280 C CB . PRO A 1 343 ? 11.496 -37.395 -11.989 1.00 88.09 ? 319 PRO A CB 1 ATOM 2281 C CG . PRO A 1 343 ? 12.371 -37.369 -13.182 1.00 90.30 ? 319 PRO A CG 1 ATOM 2282 C CD . PRO A 1 343 ? 12.002 -38.602 -13.946 1.00 90.66 ? 319 PRO A CD 1 ATOM 2283 N N . PRO A 1 344 ? 9.908 -39.229 -9.723 1.00 84.29 ? 320 PRO A N 1 ATOM 2284 C CA . PRO A 1 344 ? 8.732 -39.750 -9.026 1.00 82.52 ? 320 PRO A CA 1 ATOM 2285 C C . PRO A 1 344 ? 7.542 -38.799 -9.020 1.00 79.45 ? 320 PRO A C 1 ATOM 2286 O O . PRO A 1 344 ? 7.703 -37.588 -9.168 1.00 79.11 ? 320 PRO A O 1 ATOM 2287 C CB . PRO A 1 344 ? 9.245 -39.937 -7.601 1.00 83.64 ? 320 PRO A CB 1 ATOM 2288 C CG . PRO A 1 344 ? 10.254 -38.858 -7.443 1.00 84.63 ? 320 PRO A CG 1 ATOM 2289 C CD . PRO A 1 344 ? 10.924 -38.724 -8.782 1.00 85.72 ? 320 PRO A CD 1 ATOM 2290 N N . LEU A 1 345 ? 6.353 -39.364 -8.840 1.00 77.96 ? 321 LEU A N 1 ATOM 2291 C CA . LEU A 1 345 ? 5.133 -38.581 -8.740 1.00 75.65 ? 321 LEU A CA 1 ATOM 2292 C C . LEU A 1 345 ? 5.081 -37.945 -7.366 1.00 75.82 ? 321 LEU A C 1 ATOM 2293 O O . LEU A 1 345 ? 5.029 -38.643 -6.357 1.00 76.52 ? 321 LEU A O 1 ATOM 2294 C CB . LEU A 1 345 ? 3.913 -39.483 -8.936 1.00 75.16 ? 321 LEU A CB 1 ATOM 2295 C CG . LEU A 1 345 ? 2.591 -38.905 -9.453 1.00 73.66 ? 321 LEU A CG 1 ATOM 2296 C CD1 . LEU A 1 345 ? 1.599 -40.025 -9.698 1.00 73.39 ? 321 LEU A CD1 1 ATOM 2297 C CD2 . LEU A 1 345 ? 2.000 -37.887 -8.500 1.00 72.91 ? 321 LEU A CD2 1 ATOM 2298 N N . ARG A 1 346 ? 5.088 -36.618 -7.325 1.00 75.55 ? 322 ARG A N 1 ATOM 2299 C CA . ARG A 1 346 ? 4.978 -35.922 -6.054 1.00 75.83 ? 322 ARG A CA 1 ATOM 2300 C C . ARG A 1 346 ? 3.839 -34.912 -6.043 1.00 74.10 ? 322 ARG A C 1 ATOM 2301 O O . ARG A 1 346 ? 3.405 -34.425 -7.090 1.00 72.80 ? 322 ARG A O 1 ATOM 2302 C CB . ARG A 1 346 ? 6.301 -35.253 -5.671 1.00 77.35 ? 322 ARG A CB 1 ATOM 2303 C CG . ARG A 1 346 ? 6.671 -34.039 -6.496 1.00 76.86 ? 322 ARG A CG 1 ATOM 2304 C CD . ARG A 1 346 ? 7.832 -33.294 -5.856 1.00 78.54 ? 322 ARG A CD 1 ATOM 2305 N NE . ARG A 1 346 ? 8.141 -32.044 -6.541 1.00 78.74 ? 322 ARG A NE 1 ATOM 2306 C CZ . ARG A 1 346 ? 9.097 -31.200 -6.167 1.00 80.79 ? 322 ARG A CZ 1 ATOM 2307 N NH1 . ARG A 1 346 ? 9.847 -31.466 -5.109 1.00 82.31 ? 322 ARG A NH1 1 ATOM 2308 N NH2 . ARG A 1 346 ? 9.302 -30.088 -6.855 1.00 81.63 ? 322 ARG A NH2 1 ATOM 2309 N N . TYR A 1 347 ? 3.355 -34.618 -4.843 1.00 74.81 ? 323 TYR A N 1 ATOM 2310 C CA . TYR A 1 347 ? 2.303 -33.635 -4.653 1.00 74.49 ? 323 TYR A CA 1 ATOM 2311 C C . TYR A 1 347 ? 2.819 -32.535 -3.743 1.00 78.73 ? 323 TYR A C 1 ATOM 2312 O O . TYR A 1 347 ? 3.373 -32.814 -2.683 1.00 79.60 ? 323 TYR A O 1 ATOM 2313 C CB . TYR A 1 347 ? 1.083 -34.283 -4.006 1.00 72.37 ? 323 TYR A CB 1 ATOM 2314 C CG . TYR A 1 347 ? 0.624 -35.555 -4.673 1.00 71.01 ? 323 TYR A CG 1 ATOM 2315 C CD1 . TYR A 1 347 ? -0.390 -35.538 -5.615 1.00 69.30 ? 323 TYR A CD1 1 ATOM 2316 C CD2 . TYR A 1 347 ? 1.190 -36.777 -4.343 1.00 72.17 ? 323 TYR A CD2 1 ATOM 2317 C CE1 . TYR A 1 347 ? -0.820 -36.701 -6.219 1.00 68.81 ? 323 TYR A CE1 1 ATOM 2318 C CE2 . TYR A 1 347 ? 0.768 -37.942 -4.944 1.00 71.74 ? 323 TYR A CE2 1 ATOM 2319 C CZ . TYR A 1 347 ? -0.237 -37.899 -5.880 1.00 69.71 ? 323 TYR A CZ 1 ATOM 2320 O OH . TYR A 1 347 ? -0.662 -39.055 -6.482 1.00 68.94 ? 323 TYR A OH 1 ATOM 2321 N N . ARG A 1 348 ? 2.644 -31.285 -4.156 1.00 81.75 ? 324 ARG A N 1 ATOM 2322 C CA . ARG A 1 348 ? 3.025 -30.156 -3.315 1.00 85.95 ? 324 ARG A CA 1 ATOM 2323 C C . ARG A 1 348 ? 1.778 -29.440 -2.814 1.00 86.79 ? 324 ARG A C 1 ATOM 2324 O O . ARG A 1 348 ? 0.988 -28.933 -3.606 1.00 86.27 ? 324 ARG A O 1 ATOM 2325 C CB . ARG A 1 348 ? 3.933 -29.182 -4.075 1.00 87.43 ? 324 ARG A CB 1 ATOM 2326 C CG . ARG A 1 348 ? 5.261 -29.782 -4.517 1.00 88.65 ? 324 ARG A CG 1 ATOM 2327 C CD . ARG A 1 348 ? 6.205 -28.726 -5.074 1.00 89.79 ? 324 ARG A CD 1 ATOM 2328 N NE . ARG A 1 348 ? 5.590 -27.953 -6.148 1.00 88.70 ? 324 ARG A NE 1 ATOM 2329 C CZ . ARG A 1 348 ? 6.205 -26.987 -6.823 1.00 90.08 ? 324 ARG A CZ 1 ATOM 2330 N NH1 . ARG A 1 348 ? 5.562 -26.337 -7.782 1.00 89.42 ? 324 ARG A NH1 1 ATOM 2331 N NH2 . ARG A 1 348 ? 7.461 -26.670 -6.541 1.00 92.34 ? 324 ARG A NH2 1 ATOM 2332 N N . GLY A 1 349 ? 1.603 -29.405 -1.497 1.00 88.61 ? 325 GLY A N 1 ATOM 2333 C CA . GLY A 1 349 ? 0.430 -28.782 -0.913 1.00 89.49 ? 325 GLY A CA 1 ATOM 2334 C C . GLY A 1 349 ? 0.694 -28.013 0.367 1.00 92.68 ? 325 GLY A C 1 ATOM 2335 O O . GLY A 1 349 ? 1.779 -27.472 0.572 1.00 95.25 ? 325 GLY A O 1 ATOM 2336 N N . GLU A 1 350 ? -0.317 -27.974 1.228 1.00 93.23 ? 326 GLU A N 1 ATOM 2337 C CA . GLU A 1 350 ? -0.271 -27.217 2.473 1.00 95.41 ? 326 GLU A CA 1 ATOM 2338 C C . GLU A 1 350 ? 0.725 -27.807 3.466 1.00 96.79 ? 326 GLU A C 1 ATOM 2339 O O . GLU A 1 350 ? 1.707 -27.163 3.841 1.00 98.92 ? 326 GLU A O 1 ATOM 2340 C CB . GLU A 1 350 ? -1.661 -27.201 3.108 1.00 95.33 ? 326 GLU A CB 1 ATOM 2341 C CG . GLU A 1 350 ? -1.865 -26.117 4.144 1.00 97.78 ? 326 GLU A CG 1 ATOM 2342 C CD . GLU A 1 350 ? -2.117 -24.764 3.517 1.00 98.50 ? 326 GLU A CD 1 ATOM 2343 O OE1 . GLU A 1 350 ? -2.485 -24.722 2.323 1.00 96.81 ? 326 GLU A OE1 1 ATOM 2344 O OE2 . GLU A 1 350 ? -1.951 -23.745 4.220 1.00 101.00 ? 326 GLU A OE2 1 ATOM 2345 N N . ASP A 1 351 ? 0.460 -29.041 3.885 1.00 95.58 ? 327 ASP A N 1 ATOM 2346 C CA . ASP A 1 351 ? 1.284 -29.711 4.884 1.00 95.93 ? 327 ASP A CA 1 ATOM 2347 C C . ASP A 1 351 ? 2.662 -30.123 4.370 1.00 96.04 ? 327 ASP A C 1 ATOM 2348 O O . ASP A 1 351 ? 3.449 -30.714 5.109 1.00 98.19 ? 327 ASP A O 1 ATOM 2349 C CB . ASP A 1 351 ? 0.549 -30.927 5.455 1.00 94.81 ? 327 ASP A CB 1 ATOM 2350 C CG . ASP A 1 351 ? -0.099 -31.779 4.381 1.00 91.94 ? 327 ASP A CG 1 ATOM 2351 O OD1 . ASP A 1 351 ? 0.397 -31.781 3.237 1.00 90.65 ? 327 ASP A OD1 1 ATOM 2352 O OD2 . ASP A 1 351 ? -1.107 -32.454 4.684 1.00 91.11 ? 327 ASP A OD2 1 ATOM 2353 N N . GLY A 1 352 ? 2.950 -29.813 3.110 1.00 93.54 ? 328 GLY A N 1 ATOM 2354 C CA . GLY A 1 352 ? 4.245 -30.118 2.535 1.00 93.24 ? 328 GLY A CA 1 ATOM 2355 C C . GLY A 1 352 ? 4.145 -31.087 1.377 1.00 90.85 ? 328 GLY A C 1 ATOM 2356 O O . GLY A 1 352 ? 3.095 -31.206 0.753 1.00 89.38 ? 328 GLY A O 1 ATOM 2357 N N . CYS A 1 353 ? 5.239 -31.790 1.099 1.00 90.53 ? 329 CYS A N 1 ATOM 2358 C CA . CYS A 1 353 ? 5.297 -32.703 -0.038 1.00 87.68 ? 329 CYS A CA 1 ATOM 2359 C C . CYS A 1 353 ? 4.747 -34.088 0.305 1.00 85.56 ? 329 CYS A C 1 ATOM 2360 O O . CYS A 1 353 ? 4.829 -34.532 1.448 1.00 86.57 ? 329 CYS A O 1 ATOM 2361 C CB . CYS A 1 353 ? 6.736 -32.818 -0.548 1.00 89.18 ? 329 CYS A CB 1 ATOM 2362 S SG . CYS A 1 353 ? 6.892 -33.360 -2.268 1.00 173.56 ? 329 CYS A SG 1 ATOM 2363 N N . TRP A 1 354 ? 4.170 -34.751 -0.693 1.00 82.79 ? 330 TRP A N 1 ATOM 2364 C CA . TRP A 1 354 ? 3.725 -36.139 -0.574 1.00 81.01 ? 330 TRP A CA 1 ATOM 2365 C C . TRP A 1 354 ? 4.232 -36.920 -1.781 1.00 80.53 ? 330 TRP A C 1 ATOM 2366 O O . TRP A 1 354 ? 4.550 -36.334 -2.816 1.00 79.89 ? 330 TRP A O 1 ATOM 2367 C CB . TRP A 1 354 ? 2.197 -36.223 -0.540 1.00 77.68 ? 330 TRP A CB 1 ATOM 2368 C CG . TRP A 1 354 ? 1.550 -35.563 0.636 1.00 76.06 ? 330 TRP A CG 1 ATOM 2369 C CD1 . TRP A 1 354 ? 1.598 -34.242 0.961 1.00 75.42 ? 330 TRP A CD1 1 ATOM 2370 C CD2 . TRP A 1 354 ? 0.723 -36.191 1.625 1.00 75.41 ? 330 TRP A CD2 1 ATOM 2371 N NE1 . TRP A 1 354 ? 0.868 -34.009 2.100 1.00 75.55 ? 330 TRP A NE1 1 ATOM 2372 C CE2 . TRP A 1 354 ? 0.320 -35.190 2.526 1.00 75.55 ? 330 TRP A CE2 1 ATOM 2373 C CE3 . TRP A 1 354 ? 0.293 -37.503 1.839 1.00 75.23 ? 330 TRP A CE3 1 ATOM 2374 C CZ2 . TRP A 1 354 ? -0.494 -35.460 3.624 1.00 75.92 ? 330 TRP A CZ2 1 ATOM 2375 C CZ3 . TRP A 1 354 ? -0.515 -37.767 2.928 1.00 75.63 ? 330 TRP A CZ3 1 ATOM 2376 C CH2 . TRP A 1 354 ? -0.900 -36.752 3.806 1.00 75.95 ? 330 TRP A CH2 1 ATOM 2377 N N . TYR A 1 355 ? 4.296 -38.241 -1.658 1.00 80.87 ? 331 TYR A N 1 ATOM 2378 C CA . TYR A 1 355 ? 4.699 -39.076 -2.784 1.00 80.40 ? 331 TYR A CA 1 ATOM 2379 C C . TYR A 1 355 ? 3.556 -39.947 -3.285 1.00 78.49 ? 331 TYR A C 1 ATOM 2380 O O . TYR A 1 355 ? 2.597 -40.210 -2.560 1.00 78.21 ? 331 TYR A O 1 ATOM 2381 C CB . TYR A 1 355 ? 5.918 -39.925 -2.426 1.00 82.74 ? 331 TYR A CB 1 ATOM 2382 C CG . TYR A 1 355 ? 7.221 -39.229 -2.729 1.00 83.86 ? 331 TYR A CG 1 ATOM 2383 C CD1 . TYR A 1 355 ? 7.376 -38.494 -3.891 1.00 82.77 ? 331 TYR A CD1 1 ATOM 2384 C CD2 . TYR A 1 355 ? 8.288 -39.291 -1.850 1.00 86.19 ? 331 TYR A CD2 1 ATOM 2385 C CE1 . TYR A 1 355 ? 8.560 -37.849 -4.177 1.00 84.24 ? 331 TYR A CE1 1 ATOM 2386 C CE2 . TYR A 1 355 ? 9.479 -38.645 -2.126 1.00 87.57 ? 331 TYR A CE2 1 ATOM 2387 C CZ . TYR A 1 355 ? 9.608 -37.926 -3.293 1.00 86.59 ? 331 TYR A CZ 1 ATOM 2388 O OH . TYR A 1 355 ? 10.788 -37.279 -3.578 1.00 88.32 ? 331 TYR A OH 1 ATOM 2389 N N . GLY A 1 356 ? 3.663 -40.381 -4.536 1.00 77.29 ? 332 GLY A N 1 ATOM 2390 C CA . GLY A 1 356 ? 2.648 -41.221 -5.143 1.00 76.24 ? 332 GLY A CA 1 ATOM 2391 C C . GLY A 1 356 ? 2.436 -42.522 -4.397 1.00 77.97 ? 332 GLY A C 1 ATOM 2392 O O . GLY A 1 356 ? 3.265 -42.922 -3.581 1.00 80.05 ? 332 GLY A O 1 ATOM 2393 N N . MET A 1 357 ? 1.321 -43.182 -4.690 1.00 77.66 ? 333 MET A N 1 ATOM 2394 C CA . MET A 1 357 ? 0.942 -44.418 -4.017 1.00 79.30 ? 333 MET A CA 1 ATOM 2395 C C . MET A 1 357 ? 1.993 -45.505 -4.200 1.00 81.88 ? 333 MET A C 1 ATOM 2396 O O . MET A 1 357 ? 2.133 -46.399 -3.366 1.00 83.85 ? 333 MET A O 1 ATOM 2397 C CB . MET A 1 357 ? -0.399 -44.913 -4.556 1.00 78.28 ? 333 MET A CB 1 ATOM 2398 C CG . MET A 1 357 ? -1.528 -43.918 -4.423 1.00 75.75 ? 333 MET A CG 1 ATOM 2399 S SD . MET A 1 357 ? -3.086 -44.614 -4.982 1.00 100.20 ? 333 MET A SD 1 ATOM 2400 C CE . MET A 1 357 ? -3.210 -46.028 -3.896 1.00 107.41 ? 333 MET A CE 1 ATOM 2401 N N . GLU A 1 358 ? 2.731 -45.412 -5.301 1.00 81.89 ? 334 GLU A N 1 ATOM 2402 C CA . GLU A 1 358 ? 3.741 -46.401 -5.646 1.00 84.03 ? 334 GLU A CA 1 ATOM 2403 C C . GLU A 1 358 ? 4.984 -46.245 -4.783 1.00 85.36 ? 334 GLU A C 1 ATOM 2404 O O . GLU A 1 358 ? 5.810 -47.153 -4.697 1.00 88.03 ? 334 GLU A O 1 ATOM 2405 C CB . GLU A 1 358 ? 4.130 -46.252 -7.116 1.00 83.84 ? 334 GLU A CB 1 ATOM 2406 C CG . GLU A 1 358 ? 3.050 -45.621 -7.975 1.00 81.03 ? 334 GLU A CG 1 ATOM 2407 C CD . GLU A 1 358 ? 1.832 -46.501 -8.132 1.00 80.76 ? 334 GLU A CD 1 ATOM 2408 O OE1 . GLU A 1 358 ? 0.723 -45.956 -8.298 1.00 78.10 ? 334 GLU A OE1 1 ATOM 2409 O OE2 . GLU A 1 358 ? 1.985 -47.739 -8.103 1.00 83.40 ? 334 GLU A OE2 1 ATOM 2410 N N . ILE A 1 359 ? 5.111 -45.089 -4.142 1.00 83.60 ? 335 ILE A N 1 ATOM 2411 C CA . ILE A 1 359 ? 6.311 -44.778 -3.380 1.00 84.81 ? 335 ILE A CA 1 ATOM 2412 C C . ILE A 1 359 ? 6.125 -45.066 -1.898 1.00 84.86 ? 335 ILE A C 1 ATOM 2413 O O . ILE A 1 359 ? 5.212 -44.541 -1.266 1.00 83.20 ? 335 ILE A O 1 ATOM 2414 C CB . ILE A 1 359 ? 6.704 -43.307 -3.541 1.00 83.63 ? 335 ILE A CB 1 ATOM 2415 C CG1 . ILE A 1 359 ? 6.460 -42.838 -4.978 1.00 82.14 ? 335 ILE A CG1 1 ATOM 2416 C CG2 . ILE A 1 359 ? 8.151 -43.098 -3.116 1.00 86.02 ? 335 ILE A CG2 1 ATOM 2417 C CD1 . ILE A 1 359 ? 7.287 -43.568 -6.016 1.00 84.21 ? 335 ILE A CD1 1 ATOM 2418 N N . ARG A 1 360 ? 6.998 -45.899 -1.346 1.00 86.88 ? 336 ARG A N 1 ATOM 2419 C CA . ARG A 1 360 ? 6.963 -46.192 0.078 1.00 87.73 ? 336 ARG A CA 1 ATOM 2420 C C . ARG A 1 360 ? 8.334 -45.881 0.661 1.00 88.99 ? 336 ARG A C 1 ATOM 2421 O O . ARG A 1 360 ? 9.300 -45.780 -0.082 1.00 89.79 ? 336 ARG A O 1 ATOM 2422 C CB . ARG A 1 360 ? 6.582 -47.657 0.310 1.00 90.32 ? 336 ARG A CB 1 ATOM 2423 C CG . ARG A 1 360 ? 5.308 -48.114 -0.403 1.00 89.13 ? 336 ARG A CG 1 ATOM 2424 C CD . ARG A 1 360 ? 4.036 -47.562 0.235 1.00 87.26 ? 336 ARG A CD 1 ATOM 2425 N NE . ARG A 1 360 ? 3.840 -46.145 -0.053 1.00 84.94 ? 336 ARG A NE 1 ATOM 2426 C CZ . ARG A 1 360 ? 2.744 -45.459 0.251 1.00 83.20 ? 336 ARG A CZ 1 ATOM 2427 N NH1 . ARG A 1 360 ? 2.662 -44.172 -0.053 1.00 81.45 ? 336 ARG A NH1 1 ATOM 2428 N NH2 . ARG A 1 360 ? 1.728 -46.055 0.852 1.00 83.38 ? 336 ARG A NH2 1 ATOM 2429 N N . PRO A 1 361 ? 8.423 -45.691 1.985 1.00 89.32 ? 337 PRO A N 1 ATOM 2430 C CA . PRO A 1 361 ? 9.750 -45.456 2.562 1.00 91.20 ? 337 PRO A CA 1 ATOM 2431 C C . PRO A 1 361 ? 10.602 -46.722 2.513 1.00 94.24 ? 337 PRO A C 1 ATOM 2432 O O . PRO A 1 361 ? 10.072 -47.830 2.596 1.00 95.13 ? 337 PRO A O 1 ATOM 2433 C CB . PRO A 1 361 ? 9.443 -45.088 4.016 1.00 91.81 ? 337 PRO A CB 1 ATOM 2434 C CG . PRO A 1 361 ? 8.017 -44.671 4.021 1.00 88.96 ? 337 PRO A CG 1 ATOM 2435 C CD . PRO A 1 361 ? 7.352 -45.502 2.977 1.00 88.12 ? 337 PRO A CD 1 ATOM 2436 N N . LEU A 1 362 ? 11.913 -46.549 2.387 1.00 95.83 ? 338 LEU A N 1 ATOM 2437 C CA . LEU A 1 362 ? 12.826 -47.673 2.216 1.00 99.14 ? 338 LEU A CA 1 ATOM 2438 C C . LEU A 1 362 ? 12.944 -48.531 3.475 1.00 102.25 ? 338 LEU A C 1 ATOM 2439 O O . LEU A 1 362 ? 12.706 -49.740 3.441 1.00 103.91 ? 338 LEU A O 1 ATOM 2440 C CB . LEU A 1 362 ? 14.206 -47.164 1.788 1.00 100.43 ? 338 LEU A CB 1 ATOM 2441 C CG . LEU A 1 362 ? 15.272 -48.190 1.403 1.00 104.14 ? 338 LEU A CG 1 ATOM 2442 C CD1 . LEU A 1 362 ? 14.700 -49.231 0.460 1.00 104.41 ? 338 LEU A CD1 1 ATOM 2443 C CD2 . LEU A 1 362 ? 16.463 -47.492 0.766 1.00 104.72 ? 338 LEU A CD2 1 ATOM 2444 N N . LYS A 1 363 ? 13.310 -47.893 4.582 1.00 103.25 ? 339 LYS A N 1 ATOM 2445 C CA . LYS A 1 363 ? 13.573 -48.604 5.829 1.00 106.55 ? 339 LYS A CA 1 ATOM 2446 C C . LYS A 1 363 ? 12.564 -48.242 6.913 1.00 106.34 ? 339 LYS A C 1 ATOM 2447 O O . LYS A 1 363 ? 12.242 -49.063 7.769 1.00 108.20 ? 339 LYS A O 1 ATOM 2448 C CB . LYS A 1 363 ? 14.990 -48.298 6.319 1.00 108.38 ? 339 LYS A CB 1 ATOM 2449 C CG . LYS A 1 363 ? 16.068 -48.506 5.268 1.00 109.20 ? 339 LYS A CG 1 ATOM 2450 C CD . LYS A 1 363 ? 17.304 -47.677 5.572 1.00 110.35 ? 339 LYS A CD 1 ATOM 2451 C CE . LYS A 1 363 ? 18.288 -47.725 4.415 1.00 111.59 ? 339 LYS A CE 1 ATOM 2452 N NZ . LYS A 1 363 ? 19.444 -46.807 4.624 1.00 113.10 ? 339 LYS A NZ 1 ATOM 2453 N N . GLU A 1 364 ? 12.070 -47.009 6.872 1.00 104.44 ? 340 GLU A N 1 ATOM 2454 C CA . GLU A 1 364 ? 11.114 -46.538 7.868 1.00 104.48 ? 340 GLU A CA 1 ATOM 2455 C C . GLU A 1 364 ? 9.801 -47.308 7.794 1.00 104.32 ? 340 GLU A C 1 ATOM 2456 O O . GLU A 1 364 ? 9.383 -47.735 6.720 1.00 102.69 ? 340 GLU A O 1 ATOM 2457 C CB . GLU A 1 364 ? 10.850 -45.044 7.684 1.00 101.72 ? 340 GLU A CB 1 ATOM 2458 C CG . GLU A 1 364 ? 10.021 -44.425 8.791 1.00 100.94 ? 340 GLU A CG 1 ATOM 2459 C CD . GLU A 1 364 ? 10.783 -44.314 10.087 1.00 89.37 ? 340 GLU A CD 1 ATOM 2460 O OE1 . GLU A 1 364 ? 12.029 -44.284 10.040 1.00 93.26 ? 340 GLU A OE1 1 ATOM 2461 O OE2 . GLU A 1 364 ? 10.138 -44.257 11.153 1.00 93.88 ? 340 GLU A OE2 1 ATOM 2462 N N . LYS A 1 365 ? 9.163 -47.490 8.945 1.00 106.35 ? 341 LYS A N 1 ATOM 2463 C CA . LYS A 1 365 ? 7.879 -48.172 9.012 1.00 106.79 ? 341 LYS A CA 1 ATOM 2464 C C . LYS A 1 365 ? 6.775 -47.227 8.568 1.00 103.88 ? 341 LYS A C 1 ATOM 2465 O O . LYS A 1 365 ? 6.795 -46.047 8.907 1.00 102.21 ? 341 LYS A O 1 ATOM 2466 C CB . LYS A 1 365 ? 7.617 -48.656 10.436 1.00 109.35 ? 341 LYS A CB 1 ATOM 2467 C CG . LYS A 1 365 ? 6.372 -49.514 10.589 1.00 109.42 ? 341 LYS A CG 1 ATOM 2468 C CD . LYS A 1 365 ? 6.267 -50.063 12.002 1.00 112.63 ? 341 LYS A CD 1 ATOM 2469 C CE . LYS A 1 365 ? 5.069 -50.985 12.152 1.00 113.34 ? 341 LYS A CE 1 ATOM 2470 N NZ . LYS A 1 365 ? 4.971 -51.550 13.529 1.00 116.97 ? 341 LYS A NZ 1 ATOM 2471 N N . GLU A 1 366 ? 5.814 -47.749 7.813 1.00 103.92 ? 342 GLU A N 1 ATOM 2472 C CA . GLU A 1 366 ? 4.761 -46.917 7.237 1.00 101.97 ? 342 GLU A CA 1 ATOM 2473 C C . GLU A 1 366 ? 3.854 -46.301 8.301 1.00 102.19 ? 342 GLU A C 1 ATOM 2474 O O . GLU A 1 366 ? 3.303 -45.216 8.105 1.00 99.81 ? 342 GLU A O 1 ATOM 2475 C CB . GLU A 1 366 ? 3.927 -47.714 6.227 1.00 101.49 ? 342 GLU A CB 1 ATOM 2476 C CG . GLU A 1 366 ? 4.706 -48.204 5.008 1.00 102.32 ? 342 GLU A CG 1 ATOM 2477 C CD . GLU A 1 366 ? 3.809 -48.782 3.925 1.00 101.24 ? 342 GLU A CD 1 ATOM 2478 O OE1 . GLU A 1 366 ? 4.271 -49.668 3.175 1.00 102.77 ? 342 GLU A OE1 1 ATOM 2479 O OE2 . GLU A 1 366 ? 2.644 -48.345 3.818 1.00 98.95 ? 342 GLU A OE2 1 ATOM 2480 N N . GLU A 1 367 ? 3.705 -46.995 9.426 1.00 105.03 ? 343 GLU A N 1 ATOM 2481 C CA . GLU A 1 367 ? 2.838 -46.530 10.503 1.00 105.23 ? 343 GLU A CA 1 ATOM 2482 C C . GLU A 1 367 ? 3.340 -45.228 11.109 1.00 104.76 ? 343 GLU A C 1 ATOM 2483 O O . GLU A 1 367 ? 2.566 -44.449 11.659 1.00 104.09 ? 343 GLU A O 1 ATOM 2484 C CB . GLU A 1 367 ? 2.728 -47.588 11.599 1.00 108.83 ? 343 GLU A CB 1 ATOM 2485 C CG . GLU A 1 367 ? 1.990 -48.842 11.185 1.00 109.77 ? 343 GLU A CG 1 ATOM 2486 C CD . GLU A 1 367 ? 1.569 -49.675 12.374 1.00 113.08 ? 343 GLU A CD 1 ATOM 2487 O OE1 . GLU A 1 367 ? 1.694 -49.183 13.516 1.00 114.29 ? 343 GLU A OE1 1 ATOM 2488 O OE2 . GLU A 1 367 ? 1.110 -50.817 12.168 1.00 114.80 ? 343 GLU A OE2 1 ATOM 2489 N N . ASN A 1 368 ? 4.643 -45.004 11.006 1.00 105.66 ? 344 ASN A N 1 ATOM 2490 C CA . ASN A 1 368 ? 5.256 -43.806 11.552 1.00 105.58 ? 344 ASN A CA 1 ATOM 2491 C C . ASN A 1 368 ? 4.859 -42.559 10.772 1.00 101.74 ? 344 ASN A C 1 ATOM 2492 O O . ASN A 1 368 ? 5.031 -41.444 11.250 1.00 101.48 ? 344 ASN A O 1 ATOM 2493 C CB . ASN A 1 368 ? 6.775 -43.956 11.558 1.00 109.15 ? 344 ASN A CB 1 ATOM 2494 C CG . ASN A 1 368 ? 7.222 -45.282 12.132 1.00 113.95 ? 344 ASN A CG 1 ATOM 2495 O OD1 . ASN A 1 368 ? 6.412 -46.178 12.359 1.00 115.15 ? 344 ASN A OD1 1 ATOM 2496 N ND2 . ASN A 1 368 ? 8.519 -45.413 12.373 1.00 117.19 ? 344 ASN A ND2 1 ATOM 2497 N N . LEU A 1 369 ? 4.320 -42.755 9.574 1.00 98.59 ? 345 LEU A N 1 ATOM 2498 C CA . LEU A 1 369 ? 3.987 -41.639 8.694 1.00 94.71 ? 345 LEU A CA 1 ATOM 2499 C C . LEU A 1 369 ? 2.506 -41.296 8.685 1.00 92.66 ? 345 LEU A C 1 ATOM 2500 O O . LEU A 1 369 ? 1.694 -41.956 9.335 1.00 93.69 ? 345 LEU A O 1 ATOM 2501 C CB . LEU A 1 369 ? 4.440 -41.938 7.268 1.00 91.71 ? 345 LEU A CB 1 ATOM 2502 C CG . LEU A 1 369 ? 5.938 -41.827 7.036 1.00 91.30 ? 345 LEU A CG 1 ATOM 2503 C CD1 . LEU A 1 369 ? 6.252 -42.039 5.573 1.00 89.24 ? 345 LEU A CD1 1 ATOM 2504 C CD2 . LEU A 1 369 ? 6.409 -40.466 7.498 1.00 90.50 ? 345 LEU A CD2 1 ATOM 2505 N N . VAL A 1 370 ? 2.166 -40.252 7.938 1.00 90.28 ? 346 VAL A N 1 ATOM 2506 C CA . VAL A 1 370 ? 0.778 -39.866 7.753 1.00 88.73 ? 346 VAL A CA 1 ATOM 2507 C C . VAL A 1 370 ? 0.362 -40.198 6.329 1.00 86.70 ? 346 VAL A C 1 ATOM 2508 O O . VAL A 1 370 ? 1.120 -39.971 5.389 1.00 86.56 ? 346 VAL A O 1 ATOM 2509 C CB . VAL A 1 370 ? 0.580 -38.367 7.997 1.00 88.92 ? 346 VAL A CB 1 ATOM 2510 C CG1 . VAL A 1 370 ? -0.899 -38.037 8.091 1.00 87.96 ? 346 VAL A CG1 1 ATOM 2511 C CG2 . VAL A 1 370 ? 1.293 -37.946 9.265 1.00 91.78 ? 346 VAL A CG2 1 ATOM 2512 N N . ASN A 1 371 ? -0.836 -40.749 6.175 1.00 85.25 ? 347 ASN A N 1 ATOM 2513 C CA . ASN A 1 371 ? -1.358 -41.082 4.856 1.00 82.82 ? 347 ASN A CA 1 ATOM 2514 C C . ASN A 1 371 ? -2.745 -40.498 4.624 1.00 80.43 ? 347 ASN A C 1 ATOM 2515 O O . ASN A 1 371 ? -3.223 -39.674 5.401 1.00 79.66 ? 347 ASN A O 1 ATOM 2516 C CB . ASN A 1 371 ? -1.396 -42.596 4.656 1.00 84.04 ? 347 ASN A CB 1 ATOM 2517 C CG . ASN A 1 371 ? -2.193 -43.301 5.730 1.00 85.51 ? 347 ASN A CG 1 ATOM 2518 O OD1 . ASN A 1 371 ? -1.663 -43.640 6.788 1.00 87.98 ? 347 ASN A OD1 1 ATOM 2519 N ND2 . ASN A 1 371 ? -3.473 -43.527 5.466 1.00 84.30 ? 347 ASN A ND2 1 ATOM 2520 N N . SER A 1 372 ? -3.389 -40.934 3.547 1.00 79.51 ? 348 SER A N 1 ATOM 2521 C CA . SER A 1 372 ? -4.735 -40.479 3.225 1.00 78.19 ? 348 SER A CA 1 ATOM 2522 C C . SER A 1 372 ? -5.756 -41.144 4.141 1.00 80.29 ? 348 SER A C 1 ATOM 2523 O O . SER A 1 372 ? -6.031 -42.337 4.020 1.00 81.11 ? 348 SER A O 1 ATOM 2524 C CB . SER A 1 372 ? -5.064 -40.783 1.766 1.00 75.81 ? 348 SER A CB 1 ATOM 2525 O OG . SER A 1 372 ? -4.041 -40.315 0.909 1.00 74.97 ? 348 SER A OG 1 ATOM 2526 N N . LEU A 1 373 ? -6.320 -40.359 5.051 1.00 81.58 ? 349 LEU A N 1 ATOM 2527 C CA . LEU A 1 373 ? -7.232 -40.885 6.057 1.00 84.01 ? 349 LEU A CA 1 ATOM 2528 C C . LEU A 1 373 ? -8.684 -40.798 5.596 1.00 83.05 ? 349 LEU A C 1 ATOM 2529 O O . LEU A 1 373 ? -9.555 -40.325 6.327 1.00 83.63 ? 349 LEU A O 1 ATOM 2530 C CB . LEU A 1 373 ? -7.041 -40.135 7.375 1.00 86.41 ? 349 LEU A CB 1 ATOM 2531 C CG . LEU A 1 373 ? -5.578 -39.945 7.788 1.00 88.83 ? 349 LEU A CG 1 ATOM 2532 C CD1 . LEU A 1 373 ? -5.460 -39.167 9.089 1.00 90.98 ? 349 LEU A CD1 1 ATOM 2533 C CD2 . LEU A 1 373 ? -4.867 -41.284 7.900 1.00 91.07 ? 349 LEU A CD2 1 ATOM 2534 N N . ASP B 1 25 ? 3.706 -18.813 -22.014 1.00 97.51 ? 1 ASP B N 1 ATOM 2535 C CA . ASP B 1 25 ? 2.972 -18.330 -23.176 1.00 96.97 ? 1 ASP B CA 1 ATOM 2536 C C . ASP B 1 25 ? 1.850 -17.385 -22.759 1.00 96.97 ? 1 ASP B C 1 ATOM 2537 O O . ASP B 1 25 ? 0.711 -17.805 -22.573 1.00 96.08 ? 1 ASP B O 1 ATOM 2538 C CB . ASP B 1 25 ? 2.407 -19.507 -23.968 1.00 95.25 ? 1 ASP B CB 1 ATOM 2539 C CG . ASP B 1 25 ? 1.670 -19.068 -25.214 1.00 96.23 ? 1 ASP B CG 1 ATOM 2540 O OD1 . ASP B 1 25 ? 2.322 -18.920 -26.268 1.00 97.13 ? 1 ASP B OD1 1 ATOM 2541 O OD2 . ASP B 1 25 ? 0.439 -18.876 -25.142 1.00 96.39 ? 1 ASP B OD2 1 ATOM 2542 N N . SER B 1 26 ? 2.180 -16.105 -22.613 1.00 98.17 ? 2 SER B N 1 ATOM 2543 C CA . SER B 1 26 ? 1.204 -15.111 -22.184 1.00 98.50 ? 2 SER B CA 1 ATOM 2544 C C . SER B 1 26 ? 0.846 -14.156 -23.312 1.00 98.47 ? 2 SER B C 1 ATOM 2545 O O . SER B 1 26 ? 1.643 -13.930 -24.220 1.00 98.84 ? 2 SER B O 1 ATOM 2546 C CB . SER B 1 26 ? 1.730 -14.327 -20.982 1.00 101.45 ? 2 SER B CB 1 ATOM 2547 O OG . SER B 1 26 ? 2.024 -15.191 -19.899 1.00 100.51 ? 2 SER B OG 1 ATOM 2548 N N . GLY B 1 27 ? -0.358 -13.597 -23.250 1.00 98.35 ? 3 GLY B N 1 ATOM 2549 C CA . GLY B 1 27 ? -0.815 -12.683 -24.280 1.00 99.43 ? 3 GLY B CA 1 ATOM 2550 C C . GLY B 1 27 ? -2.247 -12.230 -24.089 1.00 99.66 ? 3 GLY B C 1 ATOM 2551 O O . GLY B 1 27 ? -2.912 -12.615 -23.123 1.00 79.66 ? 3 GLY B O 1 ATOM 2552 N N . CYS B 1 28 ? -2.721 -11.404 -25.016 1.00 100.99 ? 4 CYS B N 1 ATOM 2553 C CA . CYS B 1 28 ? -4.087 -10.900 -24.964 1.00 102.08 ? 4 CYS B CA 1 ATOM 2554 C C . CYS B 1 28 ? -4.799 -11.108 -26.299 1.00 101.22 ? 4 CYS B C 1 ATOM 2555 O O . CYS B 1 28 ? -4.225 -10.881 -27.364 1.00 101.97 ? 4 CYS B O 1 ATOM 2556 C CB . CYS B 1 28 ? -4.105 -9.418 -24.579 1.00 106.51 ? 4 CYS B CB 1 ATOM 2557 S SG . CYS B 1 28 ? -3.331 -9.036 -22.987 1.00 102.24 ? 4 CYS B SG 1 ATOM 2558 N N . VAL B 1 29 ? -6.049 -11.557 -26.232 1.00 100.09 ? 5 VAL B N 1 ATOM 2559 C CA . VAL B 1 29 ? -6.846 -11.804 -27.432 1.00 100.11 ? 5 VAL B CA 1 ATOM 2560 C C . VAL B 1 29 ? -8.211 -11.127 -27.284 1.00 103.64 ? 5 VAL B C 1 ATOM 2561 O O . VAL B 1 29 ? -8.695 -10.953 -26.169 1.00 104.16 ? 5 VAL B O 1 ATOM 2562 C CB . VAL B 1 29 ? -7.026 -13.317 -27.683 1.00 78.11 ? 5 VAL B CB 1 ATOM 2563 C CG1 . VAL B 1 29 ? -7.652 -13.568 -29.038 1.00 78.03 ? 5 VAL B CG1 1 ATOM 2564 C CG2 . VAL B 1 29 ? -5.692 -14.035 -27.594 1.00 75.67 ? 5 VAL B CG2 1 ATOM 2565 N N . VAL B 1 30 ? -8.820 -10.732 -28.401 1.00 107.10 ? 6 VAL B N 1 ATOM 2566 C CA . VAL B 1 30 ? -10.124 -10.069 -28.366 1.00 111.63 ? 6 VAL B CA 1 ATOM 2567 C C . VAL B 1 30 ? -11.163 -10.774 -29.235 1.00 111.67 ? 6 VAL B C 1 ATOM 2568 O O . VAL B 1 30 ? -10.903 -11.090 -30.395 1.00 110.64 ? 6 VAL B O 1 ATOM 2569 C CB . VAL B 1 30 ? -10.022 -8.579 -28.779 1.00 127.59 ? 6 VAL B CB 1 ATOM 2570 C CG1 . VAL B 1 30 ? -9.146 -8.419 -30.006 1.00 128.02 ? 6 VAL B CG1 1 ATOM 2571 C CG2 . VAL B 1 30 ? -11.404 -7.982 -29.019 1.00 130.98 ? 6 VAL B CG2 1 ATOM 2572 N N . SER B 1 31 ? -12.337 -11.024 -28.662 1.00 113.39 ? 7 SER B N 1 ATOM 2573 C CA . SER B 1 31 ? -13.441 -11.615 -29.408 1.00 114.34 ? 7 SER B CA 1 ATOM 2574 C C . SER B 1 31 ? -14.491 -10.570 -29.755 1.00 120.85 ? 7 SER B C 1 ATOM 2575 O O . SER B 1 31 ? -15.136 -10.012 -28.871 1.00 123.49 ? 7 SER B O 1 ATOM 2576 C CB . SER B 1 31 ? -14.090 -12.742 -28.613 1.00 111.82 ? 7 SER B CB 1 ATOM 2577 O OG . SER B 1 31 ? -15.237 -13.218 -29.291 1.00 112.17 ? 7 SER B OG 1 ATOM 2578 N N . TRP B 1 32 ? -14.660 -10.319 -31.048 1.00 124.05 ? 8 TRP B N 1 ATOM 2579 C CA . TRP B 1 32 ? -15.601 -9.313 -31.524 1.00 130.78 ? 8 TRP B CA 1 ATOM 2580 C C . TRP B 1 32 ? -17.047 -9.696 -31.231 1.00 130.76 ? 8 TRP B C 1 ATOM 2581 O O . TRP B 1 32 ? -17.806 -8.906 -30.668 1.00 134.58 ? 8 TRP B O 1 ATOM 2582 C CB . TRP B 1 32 ? -15.416 -9.095 -33.026 1.00 134.21 ? 8 TRP B CB 1 ATOM 2583 C CG . TRP B 1 32 ? -14.204 -8.292 -33.363 1.00 137.64 ? 8 TRP B CG 1 ATOM 2584 C CD1 . TRP B 1 32 ? -12.903 -8.648 -33.165 1.00 135.17 ? 8 TRP B CD1 1 ATOM 2585 C CD2 . TRP B 1 32 ? -14.178 -6.995 -33.966 1.00 144.10 ? 8 TRP B CD2 1 ATOM 2586 N NE1 . TRP B 1 32 ? -12.069 -7.650 -33.603 1.00 138.97 ? 8 TRP B NE1 1 ATOM 2587 C CE2 . TRP B 1 32 ? -12.828 -6.624 -34.101 1.00 144.68 ? 8 TRP B CE2 1 ATOM 2588 C CE3 . TRP B 1 32 ? -15.168 -6.110 -34.404 1.00 149.87 ? 8 TRP B CE3 1 ATOM 2589 C CZ2 . TRP B 1 32 ? -12.440 -5.403 -34.655 1.00 150.60 ? 8 TRP B CZ2 1 ATOM 2590 C CZ3 . TRP B 1 32 ? -14.783 -4.900 -34.955 1.00 155.54 ? 8 TRP B CZ3 1 ATOM 2591 C CH2 . TRP B 1 32 ? -13.431 -4.558 -35.075 1.00 155.88 ? 8 TRP B CH2 1 ATOM 2592 N N . LYS B 1 33 ? -17.417 -10.912 -31.622 1.00 126.42 ? 9 LYS B N 1 ATOM 2593 C CA . LYS B 1 33 ? -18.774 -11.405 -31.437 1.00 126.07 ? 9 LYS B CA 1 ATOM 2594 C C . LYS B 1 33 ? -19.132 -11.458 -29.957 1.00 125.62 ? 9 LYS B C 1 ATOM 2595 O O . LYS B 1 33 ? -20.195 -10.995 -29.550 1.00 129.29 ? 9 LYS B O 1 ATOM 2596 C CB . LYS B 1 33 ? -18.925 -12.787 -32.077 1.00 121.98 ? 9 LYS B CB 1 ATOM 2597 C CG . LYS B 1 33 ? -18.470 -12.847 -33.530 1.00 121.59 ? 9 LYS B CG 1 ATOM 2598 C CD . LYS B 1 33 ? -18.673 -14.233 -34.123 1.00 117.88 ? 9 LYS B CD 1 ATOM 2599 C CE . LYS B 1 33 ? -18.205 -14.294 -35.569 1.00 117.43 ? 9 LYS B CE 1 ATOM 2600 N NZ . LYS B 1 33 ? -18.486 -15.619 -36.189 1.00 114.04 ? 9 LYS B NZ 1 ATOM 2601 N N . ASN B 1 34 ? -18.232 -12.011 -29.152 1.00 121.63 ? 10 ASN B N 1 ATOM 2602 C CA . ASN B 1 34 ? -18.439 -12.076 -27.712 1.00 121.60 ? 10 ASN B CA 1 ATOM 2603 C C . ASN B 1 34 ? -18.327 -10.690 -27.093 1.00 125.03 ? 10 ASN B C 1 ATOM 2604 O O . ASN B 1 34 ? -18.755 -10.472 -25.958 1.00 126.98 ? 10 ASN B O 1 ATOM 2605 C CB . ASN B 1 34 ? -17.425 -13.023 -27.069 1.00 118.11 ? 10 ASN B CB 1 ATOM 2606 C CG . ASN B 1 34 ? -17.748 -13.338 -25.624 1.00 119.36 ? 10 ASN B CG 1 ATOM 2607 O OD1 . ASN B 1 34 ? -18.890 -13.210 -25.187 1.00 122.47 ? 10 ASN B OD1 1 ATOM 2608 N ND2 . ASN B 1 34 ? -16.737 -13.759 -24.873 1.00 117.40 ? 10 ASN B ND2 1 ATOM 2609 N N . LYS B 1 35 ? -17.753 -9.763 -27.856 1.00 125.86 ? 11 LYS B N 1 ATOM 2610 C CA . LYS B 1 35 ? -17.533 -8.395 -27.402 1.00 128.89 ? 11 LYS B CA 1 ATOM 2611 C C . LYS B 1 35 ? -16.717 -8.386 -26.121 1.00 126.33 ? 11 LYS B C 1 ATOM 2612 O O . LYS B 1 35 ? -16.957 -7.580 -25.225 1.00 129.68 ? 11 LYS B O 1 ATOM 2613 C CB . LYS B 1 35 ? -18.863 -7.676 -27.186 1.00 133.84 ? 11 LYS B CB 1 ATOM 2614 C CG . LYS B 1 35 ? -19.662 -7.440 -28.450 1.00 136.12 ? 11 LYS B CG 1 ATOM 2615 C CD . LYS B 1 35 ? -20.939 -6.684 -28.130 1.00 141.68 ? 11 LYS B CD 1 ATOM 2616 C CE . LYS B 1 35 ? -21.599 -6.157 -29.389 1.00 145.65 ? 11 LYS B CE 1 ATOM 2617 N NZ . LYS B 1 35 ? -22.804 -5.346 -29.073 1.00 151.99 ? 11 LYS B NZ 1 ATOM 2618 N N . GLU B 1 36 ? -15.754 -9.296 -26.042 1.00 120.58 ? 12 GLU B N 1 ATOM 2619 C CA . GLU B 1 36 ? -14.951 -9.452 -24.840 1.00 118.08 ? 12 GLU B CA 1 ATOM 2620 C C . GLU B 1 36 ? -13.516 -9.820 -25.194 1.00 113.67 ? 12 GLU B C 1 ATOM 2621 O O . GLU B 1 36 ? -13.274 -10.581 -26.129 1.00 111.11 ? 12 GLU B O 1 ATOM 2622 C CB . GLU B 1 36 ? -15.563 -10.521 -23.928 1.00 116.07 ? 12 GLU B CB 1 ATOM 2623 C CG . GLU B 1 36 ? -14.779 -10.778 -22.648 1.00 114.80 ? 12 GLU B CG 1 ATOM 2624 C CD . GLU B 1 36 ? -15.433 -11.811 -21.752 1.00 113.55 ? 12 GLU B CD 1 ATOM 2625 O OE1 . GLU B 1 36 ? -16.635 -12.093 -21.937 1.00 114.67 ? 12 GLU B OE1 1 ATOM 2626 O OE2 . GLU B 1 36 ? -14.740 -12.340 -20.859 1.00 111.90 ? 12 GLU B OE2 1 ATOM 2627 N N . LEU B 1 37 ? -12.568 -9.268 -24.445 1.00 113.11 ? 13 LEU B N 1 ATOM 2628 C CA . LEU B 1 37 ? -11.163 -9.608 -24.611 1.00 109.32 ? 13 LEU B CA 1 ATOM 2629 C C . LEU B 1 37 ? -10.598 -10.143 -23.300 1.00 106.88 ? 13 LEU B C 1 ATOM 2630 O O . LEU B 1 37 ? -11.176 -9.929 -22.236 1.00 109.14 ? 13 LEU B O 1 ATOM 2631 C CB . LEU B 1 37 ? -10.360 -8.397 -25.080 1.00 112.81 ? 13 LEU B CB 1 ATOM 2632 C CG . LEU B 1 37 ? -10.202 -7.212 -24.129 1.00 117.59 ? 13 LEU B CG 1 ATOM 2633 C CD1 . LEU B 1 37 ? -8.931 -6.455 -24.462 1.00 119.53 ? 13 LEU B CD1 1 ATOM 2634 C CD2 . LEU B 1 37 ? -11.401 -6.284 -24.209 1.00 122.36 ? 13 LEU B CD2 1 ATOM 2635 N N . LYS B 1 38 ? -9.467 -10.837 -23.381 1.00 102.37 ? 14 LYS B N 1 ATOM 2636 C CA . LYS B 1 38 ? -8.887 -11.490 -22.213 1.00 99.55 ? 14 LYS B CA 1 ATOM 2637 C C . LYS B 1 38 ? -7.365 -11.582 -22.324 1.00 97.27 ? 14 LYS B C 1 ATOM 2638 O O . LYS B 1 38 ? -6.820 -11.750 -23.416 1.00 95.61 ? 14 LYS B O 1 ATOM 2639 C CB . LYS B 1 38 ? -9.508 -12.882 -22.034 1.00 95.99 ? 14 LYS B CB 1 ATOM 2640 C CG . LYS B 1 38 ? -8.931 -13.726 -20.902 1.00 94.19 ? 14 LYS B CG 1 ATOM 2641 C CD . LYS B 1 38 ? -9.026 -13.026 -19.553 1.00 97.36 ? 14 LYS B CD 1 ATOM 2642 C CE . LYS B 1 38 ? -8.705 -13.979 -18.406 1.00 96.27 ? 14 LYS B CE 1 ATOM 2643 N NZ . LYS B 1 38 ? -7.470 -14.775 -18.648 1.00 93.31 ? 14 LYS B NZ 1 ATOM 2644 N N . CYS B 1 39 ? -6.691 -11.451 -21.186 1.00 97.75 ? 15 CYS B N 1 ATOM 2645 C CA . CYS B 1 39 ? -5.241 -11.563 -21.117 1.00 96.50 ? 15 CYS B CA 1 ATOM 2646 C C . CYS B 1 39 ? -4.838 -12.685 -20.178 1.00 93.72 ? 15 CYS B C 1 ATOM 2647 O O . CYS B 1 39 ? -5.616 -13.087 -19.313 1.00 93.62 ? 15 CYS B O 1 ATOM 2648 C CB . CYS B 1 39 ? -4.640 -10.256 -20.606 1.00 100.37 ? 15 CYS B CB 1 ATOM 2649 S SG . CYS B 1 39 ? -4.890 -8.856 -21.699 1.00 91.56 ? 15 CYS B SG 1 ATOM 2650 N N . GLY B 1 40 ? -3.619 -13.187 -20.341 1.00 91.81 ? 16 GLY B N 1 ATOM 2651 C CA . GLY B 1 40 ? -3.089 -14.158 -19.402 1.00 89.87 ? 16 GLY B CA 1 ATOM 2652 C C . GLY B 1 40 ? -2.221 -15.217 -20.042 1.00 86.17 ? 16 GLY B C 1 ATOM 2653 O O . GLY B 1 40 ? -1.750 -15.048 -21.165 1.00 85.71 ? 16 GLY B O 1 ATOM 2654 N N . SER B 1 41 ? -2.011 -16.311 -19.315 1.00 83.79 ? 17 SER B N 1 ATOM 2655 C CA . SER B 1 41 ? -1.216 -17.433 -19.802 1.00 80.58 ? 17 SER B CA 1 ATOM 2656 C C . SER B 1 41 ? -2.105 -18.478 -20.463 1.00 79.06 ? 17 SER B C 1 ATOM 2657 O O . SER B 1 41 ? -3.326 -18.342 -20.472 1.00 79.04 ? 17 SER B O 1 ATOM 2658 C CB . SER B 1 41 ? -0.444 -18.071 -18.649 1.00 79.59 ? 17 SER B CB 1 ATOM 2659 O OG . SER B 1 41 ? 0.139 -19.299 -19.042 1.00 76.63 ? 17 SER B OG 1 ATOM 2660 N N . GLY B 1 42 ? -1.489 -19.516 -21.020 1.00 78.13 ? 18 GLY B N 1 ATOM 2661 C CA . GLY B 1 42 ? -2.244 -20.604 -21.616 1.00 77.35 ? 18 GLY B CA 1 ATOM 2662 C C . GLY B 1 42 ? -1.723 -21.099 -22.954 1.00 76.88 ? 18 GLY B C 1 ATOM 2663 O O . GLY B 1 42 ? -0.514 -21.172 -23.164 1.00 77.13 ? 18 GLY B O 1 ATOM 2664 N N . ILE B 1 43 ? -2.636 -21.455 -23.857 1.00 76.34 ? 19 ILE B N 1 ATOM 2665 C CA . ILE B 1 43 ? -2.257 -21.954 -25.181 1.00 75.69 ? 19 ILE B CA 1 ATOM 2666 C C . ILE B 1 43 ? -3.111 -21.351 -26.304 1.00 77.16 ? 19 ILE B C 1 ATOM 2667 O O . ILE B 1 43 ? -4.337 -21.343 -26.225 1.00 77.07 ? 19 ILE B O 1 ATOM 2668 C CB . ILE B 1 43 ? -2.303 -23.495 -25.243 1.00 73.45 ? 19 ILE B CB 1 ATOM 2669 C CG1 . ILE B 1 43 ? -1.158 -24.089 -24.423 1.00 74.05 ? 19 ILE B CG1 1 ATOM 2670 C CG2 . ILE B 1 43 ? -2.211 -23.981 -26.671 1.00 56.50 ? 19 ILE B CG2 1 ATOM 2671 C CD1 . ILE B 1 43 ? -0.994 -25.579 -24.584 1.00 73.20 ? 19 ILE B CD1 1 ATOM 2672 N N . PHE B 1 44 ? -2.454 -20.840 -27.344 1.00 78.91 ? 20 PHE B N 1 ATOM 2673 C CA . PHE B 1 44 ? -3.155 -20.229 -28.472 1.00 80.55 ? 20 PHE B CA 1 ATOM 2674 C C . PHE B 1 44 ? -3.008 -21.048 -29.751 1.00 80.17 ? 20 PHE B C 1 ATOM 2675 O O . PHE B 1 44 ? -1.896 -21.371 -30.172 1.00 79.72 ? 20 PHE B O 1 ATOM 2676 C CB . PHE B 1 44 ? -2.652 -18.806 -28.717 1.00 82.64 ? 20 PHE B CB 1 ATOM 2677 C CG . PHE B 1 44 ? -3.493 -18.023 -29.691 1.00 83.94 ? 20 PHE B CG 1 ATOM 2678 C CD1 . PHE B 1 44 ? -4.862 -17.913 -29.509 1.00 83.98 ? 20 PHE B CD1 1 ATOM 2679 C CD2 . PHE B 1 44 ? -2.916 -17.378 -30.773 1.00 85.80 ? 20 PHE B CD2 1 ATOM 2680 C CE1 . PHE B 1 44 ? -5.643 -17.187 -30.391 1.00 85.77 ? 20 PHE B CE1 1 ATOM 2681 C CE2 . PHE B 1 44 ? -3.693 -16.648 -31.662 1.00 87.66 ? 20 PHE B CE2 1 ATOM 2682 C CZ . PHE B 1 44 ? -5.058 -16.555 -31.469 1.00 87.68 ? 20 PHE B CZ 1 ATOM 2683 N N . ILE B 1 45 ? -4.140 -21.378 -30.363 1.00 80.31 ? 21 ILE B N 1 ATOM 2684 C CA . ILE B 1 45 ? -4.144 -22.071 -31.642 1.00 79.78 ? 21 ILE B CA 1 ATOM 2685 C C . ILE B 1 45 ? -4.466 -21.060 -32.737 1.00 82.54 ? 21 ILE B C 1 ATOM 2686 O O . ILE B 1 45 ? -5.459 -20.344 -32.644 1.00 84.15 ? 21 ILE B O 1 ATOM 2687 C CB . ILE B 1 45 ? -5.180 -23.208 -31.656 1.00 77.45 ? 21 ILE B CB 1 ATOM 2688 C CG1 . ILE B 1 45 ? -5.064 -24.063 -30.391 1.00 75.90 ? 21 ILE B CG1 1 ATOM 2689 C CG2 . ILE B 1 45 ? -5.021 -24.064 -32.902 1.00 76.32 ? 21 ILE B CG2 1 ATOM 2690 C CD1 . ILE B 1 45 ? -3.715 -24.725 -30.211 1.00 74.81 ? 21 ILE B CD1 1 ATOM 2691 N N . THR B 1 46 ? -3.624 -20.996 -33.766 1.00 83.74 ? 22 THR B N 1 ATOM 2692 C CA . THR B 1 46 ? -3.798 -20.016 -34.837 1.00 87.00 ? 22 THR B CA 1 ATOM 2693 C C . THR B 1 46 ? -4.315 -20.650 -36.123 1.00 86.84 ? 22 THR B C 1 ATOM 2694 O O . THR B 1 46 ? -3.801 -21.674 -36.571 1.00 85.61 ? 22 THR B O 1 ATOM 2695 C CB . THR B 1 46 ? -2.483 -19.273 -35.153 1.00 89.65 ? 22 THR B CB 1 ATOM 2696 O OG1 . THR B 1 46 ? -1.525 -20.191 -35.694 1.00 89.00 ? 22 THR B OG1 1 ATOM 2697 C CG2 . THR B 1 46 ? -1.913 -18.639 -33.905 1.00 90.25 ? 22 THR B CG2 1 ATOM 2698 N N . ASP B 1 47 ? -5.332 -20.033 -36.714 1.00 88.69 ? 23 ASP B N 1 ATOM 2699 C CA . ASP B 1 47 ? -5.850 -20.488 -37.996 1.00 88.86 ? 23 ASP B CA 1 ATOM 2700 C C . ASP B 1 47 ? -4.858 -20.138 -39.092 1.00 90.85 ? 23 ASP B C 1 ATOM 2701 O O . ASP B 1 47 ? -4.829 -19.008 -39.573 1.00 93.86 ? 23 ASP B O 1 ATOM 2702 C CB . ASP B 1 47 ? -7.211 -19.852 -38.278 1.00 91.22 ? 23 ASP B CB 1 ATOM 2703 C CG . ASP B 1 47 ? -7.776 -20.247 -39.629 1.00 92.25 ? 23 ASP B CG 1 ATOM 2704 O OD1 . ASP B 1 47 ? -7.319 -21.251 -40.210 1.00 90.51 ? 23 ASP B OD1 1 ATOM 2705 O OD2 . ASP B 1 47 ? -8.691 -19.549 -40.106 1.00 95.20 ? 23 ASP B OD2 1 ATOM 2706 N N . ASN B 1 48 ? -4.047 -21.119 -39.476 1.00 89.25 ? 24 ASN B N 1 ATOM 2707 C CA . ASN B 1 48 ? -3.024 -20.929 -40.498 1.00 90.90 ? 24 ASN B CA 1 ATOM 2708 C C . ASN B 1 48 ? -3.607 -21.019 -41.901 1.00 91.31 ? 24 ASN B C 1 ATOM 2709 O O . ASN B 1 48 ? -2.911 -20.793 -42.888 1.00 94.10 ? 24 ASN B O 1 ATOM 2710 C CB . ASN B 1 48 ? -1.915 -21.971 -40.344 1.00 88.67 ? 24 ASN B CB 1 ATOM 2711 C CG . ASN B 1 48 ? -1.537 -22.212 -38.896 1.00 85.71 ? 24 ASN B CG 1 ATOM 2712 O OD1 . ASN B 1 48 ? -0.693 -21.512 -38.336 1.00 86.70 ? 24 ASN B OD1 1 ATOM 2713 N ND2 . ASN B 1 48 ? -2.159 -23.210 -38.283 1.00 82.15 ? 24 ASN B ND2 1 ATOM 2714 N N . VAL B 1 49 ? -4.890 -21.355 -41.974 1.00 88.97 ? 25 VAL B N 1 ATOM 2715 C CA . VAL B 1 49 ? -5.575 -21.520 -43.248 1.00 69.97 ? 25 VAL B CA 1 ATOM 2716 C C . VAL B 1 49 ? -6.058 -20.189 -43.806 1.00 74.03 ? 25 VAL B C 1 ATOM 2717 O O . VAL B 1 49 ? -5.804 -19.867 -44.963 1.00 77.04 ? 25 VAL B O 1 ATOM 2718 C CB . VAL B 1 49 ? -6.765 -22.488 -43.117 1.00 70.80 ? 25 VAL B CB 1 ATOM 2719 C CG1 . VAL B 1 49 ? -7.584 -22.516 -44.397 1.00 72.73 ? 25 VAL B CG1 1 ATOM 2720 C CG2 . VAL B 1 49 ? -6.274 -23.878 -42.771 1.00 67.38 ? 25 VAL B CG2 1 ATOM 2721 N N . HIS B 1 50 ? -6.754 -19.417 -42.982 1.00 74.52 ? 26 HIS B N 1 ATOM 2722 C CA . HIS B 1 50 ? -7.259 -18.125 -43.423 1.00 110.66 ? 26 HIS B CA 1 ATOM 2723 C C . HIS B 1 50 ? -6.263 -17.015 -43.131 1.00 114.00 ? 26 HIS B C 1 ATOM 2724 O O . HIS B 1 50 ? -6.641 -15.895 -42.794 1.00 117.14 ? 26 HIS B O 1 ATOM 2725 C CB . HIS B 1 50 ? -8.602 -17.821 -42.775 1.00 78.57 ? 26 HIS B CB 1 ATOM 2726 C CG . HIS B 1 50 ? -9.600 -18.923 -42.929 1.00 75.96 ? 26 HIS B CG 1 ATOM 2727 N ND1 . HIS B 1 50 ? -9.579 -20.057 -42.146 1.00 76.74 ? 26 HIS B ND1 1 ATOM 2728 C CD2 . HIS B 1 50 ? -10.640 -19.072 -43.781 1.00 77.24 ? 26 HIS B CD2 1 ATOM 2729 C CE1 . HIS B 1 50 ? -10.568 -20.854 -42.503 1.00 75.65 ? 26 HIS B CE1 1 ATOM 2730 N NE2 . HIS B 1 50 ? -11.228 -20.281 -43.493 1.00 78.84 ? 26 HIS B NE2 1 ATOM 2731 N N . THR B 1 51 ? -4.984 -17.347 -43.263 1.00 113.57 ? 27 THR B N 1 ATOM 2732 C CA . THR B 1 51 ? -3.917 -16.366 -43.170 1.00 116.43 ? 27 THR B CA 1 ATOM 2733 C C . THR B 1 51 ? -3.676 -15.745 -44.538 1.00 121.98 ? 27 THR B C 1 ATOM 2734 O O . THR B 1 51 ? -3.405 -16.454 -45.509 1.00 121.60 ? 27 THR B O 1 ATOM 2735 C CB . THR B 1 51 ? -2.617 -17.006 -42.673 1.00 113.10 ? 27 THR B CB 1 ATOM 2736 O OG1 . THR B 1 51 ? -2.386 -18.230 -43.382 1.00 110.64 ? 27 THR B OG1 1 ATOM 2737 C CG2 . THR B 1 51 ? -2.709 -17.303 -41.189 1.00 109.23 ? 27 THR B CG2 1 ATOM 2738 N N . TRP B 1 52 ? -3.785 -14.421 -44.607 1.00 127.72 ? 28 TRP B N 1 ATOM 2739 C CA . TRP B 1 52 ? -3.570 -13.683 -45.848 1.00 134.57 ? 28 TRP B CA 1 ATOM 2740 C C . TRP B 1 52 ? -2.155 -13.890 -46.378 1.00 137.28 ? 28 TRP B C 1 ATOM 2741 O O . TRP B 1 52 ? -1.931 -13.947 -47.588 1.00 140.06 ? 28 TRP B O 1 ATOM 2742 C CB . TRP B 1 52 ? -3.835 -12.192 -45.626 1.00 139.27 ? 28 TRP B CB 1 ATOM 2743 C CG . TRP B 1 52 ? -5.235 -11.772 -45.951 1.00 141.12 ? 28 TRP B CG 1 ATOM 2744 C CD1 . TRP B 1 52 ? -5.624 -10.939 -46.958 1.00 146.81 ? 28 TRP B CD1 1 ATOM 2745 C CD2 . TRP B 1 52 ? -6.434 -12.174 -45.277 1.00 137.88 ? 28 TRP B CD2 1 ATOM 2746 N NE1 . TRP B 1 52 ? -6.989 -10.792 -46.949 1.00 147.09 ? 28 TRP B NE1 1 ATOM 2747 C CE2 . TRP B 1 52 ? -7.510 -11.541 -45.928 1.00 141.64 ? 28 TRP B CE2 1 ATOM 2748 C CE3 . TRP B 1 52 ? -6.700 -13.007 -44.187 1.00 132.58 ? 28 TRP B CE3 1 ATOM 2749 C CZ2 . TRP B 1 52 ? -8.833 -11.714 -45.523 1.00 140.12 ? 28 TRP B CZ2 1 ATOM 2750 C CZ3 . TRP B 1 52 ? -8.015 -13.177 -43.787 1.00 131.14 ? 28 TRP B CZ3 1 ATOM 2751 C CH2 . TRP B 1 52 ? -9.064 -12.533 -44.453 1.00 134.86 ? 28 TRP B CH2 1 ATOM 2752 N N . THR B 1 53 ? -1.207 -14.007 -45.457 1.00 136.78 ? 29 THR B N 1 ATOM 2753 C CA . THR B 1 53 ? 0.187 -14.219 -45.812 1.00 139.23 ? 29 THR B CA 1 ATOM 2754 C C . THR B 1 53 ? 0.615 -15.651 -45.526 1.00 134.59 ? 29 THR B C 1 ATOM 2755 O O . THR B 1 53 ? 0.249 -16.227 -44.502 1.00 130.08 ? 29 THR B O 1 ATOM 2756 C CB . THR B 1 53 ? 1.109 -13.254 -45.048 1.00 142.15 ? 29 THR B CB 1 ATOM 2757 O OG1 . THR B 1 53 ? 0.594 -13.047 -43.727 1.00 139.37 ? 29 THR B OG1 1 ATOM 2758 C CG2 . THR B 1 53 ? 1.180 -11.916 -45.761 1.00 149.10 ? 29 THR B CG2 1 ATOM 2759 N N . GLU B 1 54 ? 1.388 -16.221 -46.442 1.00 136.07 ? 30 GLU B N 1 ATOM 2760 C CA . GLU B 1 54 ? 1.925 -17.561 -46.262 1.00 132.22 ? 30 GLU B CA 1 ATOM 2761 C C . GLU B 1 54 ? 3.095 -17.497 -45.285 1.00 130.22 ? 30 GLU B C 1 ATOM 2762 O O . GLU B 1 54 ? 4.255 -17.447 -45.692 1.00 132.93 ? 30 GLU B O 1 ATOM 2763 C CB . GLU B 1 54 ? 2.373 -18.144 -47.604 1.00 135.85 ? 30 GLU B CB 1 ATOM 2764 C CG . GLU B 1 54 ? 1.256 -18.283 -48.637 1.00 138.01 ? 30 GLU B CG 1 ATOM 2765 C CD . GLU B 1 54 ? 0.874 -16.961 -49.283 1.00 144.53 ? 30 GLU B CD 1 ATOM 2766 O OE1 . GLU B 1 54 ? 1.490 -15.927 -48.946 1.00 148.07 ? 30 GLU B OE1 1 ATOM 2767 O OE2 . GLU B 1 54 ? -0.045 -16.955 -50.128 1.00 146.33 ? 30 GLU B OE2 1 ATOM 2768 N N . GLN B 1 55 ? 2.775 -17.499 -43.994 1.00 125.30 ? 31 GLN B N 1 ATOM 2769 C CA . GLN B 1 55 ? 3.762 -17.264 -42.946 1.00 123.35 ? 31 GLN B CA 1 ATOM 2770 C C . GLN B 1 55 ? 4.814 -18.361 -42.874 1.00 119.19 ? 31 GLN B C 1 ATOM 2771 O O . GLN B 1 55 ? 5.959 -18.110 -42.496 1.00 121.02 ? 31 GLN B O 1 ATOM 2772 C CB . GLN B 1 55 ? 3.070 -17.153 -41.586 1.00 120.89 ? 31 GLN B CB 1 ATOM 2773 C CG . GLN B 1 55 ? 1.691 -16.509 -41.625 1.00 122.00 ? 31 GLN B CG 1 ATOM 2774 C CD . GLN B 1 55 ? 1.740 -14.995 -41.682 1.00 127.45 ? 31 GLN B CD 1 ATOM 2775 O OE1 . GLN B 1 55 ? 0.712 -14.338 -41.848 1.00 129.00 ? 31 GLN B OE1 1 ATOM 2776 N NE2 . GLN B 1 55 ? 2.934 -14.433 -41.537 1.00 130.60 ? 31 GLN B NE2 1 ATOM 2777 N N . TYR B 1 56 ? 4.423 -19.574 -43.242 1.00 119.36 ? 32 TYR B N 1 ATOM 2778 C CA . TYR B 1 56 ? 5.264 -20.738 -43.002 1.00 113.48 ? 32 TYR B CA 1 ATOM 2779 C C . TYR B 1 56 ? 6.022 -21.229 -44.231 1.00 110.26 ? 32 TYR B C 1 ATOM 2780 O O . TYR B 1 56 ? 5.526 -21.147 -45.353 1.00 110.37 ? 32 TYR B O 1 ATOM 2781 C CB . TYR B 1 56 ? 4.427 -21.875 -42.425 1.00 110.35 ? 32 TYR B CB 1 ATOM 2782 C CG . TYR B 1 56 ? 3.789 -21.559 -41.092 1.00 111.74 ? 32 TYR B CG 1 ATOM 2783 C CD1 . TYR B 1 56 ? 4.334 -22.041 -39.912 1.00 110.87 ? 32 TYR B CD1 1 ATOM 2784 C CD2 . TYR B 1 56 ? 2.635 -20.790 -41.014 1.00 114.42 ? 32 TYR B CD2 1 ATOM 2785 C CE1 . TYR B 1 56 ? 3.751 -21.765 -38.693 1.00 112.55 ? 32 TYR B CE1 1 ATOM 2786 C CE2 . TYR B 1 56 ? 2.044 -20.512 -39.798 1.00 116.29 ? 32 TYR B CE2 1 ATOM 2787 C CZ . TYR B 1 56 ? 2.607 -21.001 -38.643 1.00 115.16 ? 32 TYR B CZ 1 ATOM 2788 O OH . TYR B 1 56 ? 2.023 -20.724 -37.431 1.00 117.43 ? 32 TYR B OH 1 ATOM 2789 N N . LYS B 1 57 ? 7.230 -21.738 -44.001 1.00 107.83 ? 33 LYS B N 1 ATOM 2790 C CA . LYS B 1 57 ? 8.032 -22.344 -45.063 1.00 104.99 ? 33 LYS B CA 1 ATOM 2791 C C . LYS B 1 57 ? 8.776 -23.577 -44.559 1.00 101.31 ? 33 LYS B C 1 ATOM 2792 O O . LYS B 1 57 ? 9.280 -23.592 -43.436 1.00 101.64 ? 33 LYS B O 1 ATOM 2793 C CB . LYS B 1 57 ? 9.023 -21.336 -45.652 1.00 107.90 ? 33 LYS B CB 1 ATOM 2794 C CG . LYS B 1 57 ? 8.407 -20.353 -46.631 1.00 110.36 ? 33 LYS B CG 1 ATOM 2795 C CD . LYS B 1 57 ? 9.471 -19.571 -47.381 1.00 113.08 ? 33 LYS B CD 1 ATOM 2796 C CE . LYS B 1 57 ? 10.242 -18.646 -46.459 1.00 91.04 ? 33 LYS B CE 1 ATOM 2797 N NZ . LYS B 1 57 ? 11.357 -17.970 -47.176 1.00 93.71 ? 33 LYS B NZ 1 ATOM 2798 N N . PHE B 1 58 ? 8.837 -24.609 -45.397 1.00 97.91 ? 34 PHE B N 1 ATOM 2799 C CA . PHE B 1 58 ? 9.527 -25.848 -45.050 1.00 95.21 ? 34 PHE B CA 1 ATOM 2800 C C . PHE B 1 58 ? 10.983 -25.818 -45.506 1.00 96.53 ? 34 PHE B C 1 ATOM 2801 O O . PHE B 1 58 ? 11.271 -25.512 -46.663 1.00 97.25 ? 34 PHE B O 1 ATOM 2802 C CB . PHE B 1 58 ? 8.824 -27.047 -45.685 1.00 91.67 ? 34 PHE B CB 1 ATOM 2803 C CG . PHE B 1 58 ? 7.677 -27.583 -44.877 1.00 89.58 ? 34 PHE B CG 1 ATOM 2804 C CD1 . PHE B 1 58 ? 6.733 -26.731 -44.331 1.00 90.17 ? 34 PHE B CD1 1 ATOM 2805 C CD2 . PHE B 1 58 ? 7.530 -28.946 -44.687 1.00 87.53 ? 34 PHE B CD2 1 ATOM 2806 C CE1 . PHE B 1 58 ? 5.670 -27.231 -43.603 1.00 89.28 ? 34 PHE B CE1 1 ATOM 2807 C CE2 . PHE B 1 58 ? 6.474 -29.451 -43.956 1.00 86.57 ? 34 PHE B CE2 1 ATOM 2808 C CZ . PHE B 1 58 ? 5.543 -28.592 -43.415 1.00 87.43 ? 34 PHE B CZ 1 ATOM 2809 N N . GLN B 1 59 ? 11.895 -26.134 -44.590 1.00 97.42 ? 35 GLN B N 1 ATOM 2810 C CA . GLN B 1 59 ? 13.319 -26.192 -44.908 1.00 99.39 ? 35 GLN B CA 1 ATOM 2811 C C . GLN B 1 59 ? 13.986 -27.374 -44.214 1.00 100.35 ? 35 GLN B C 1 ATOM 2812 O O . GLN B 1 59 ? 13.747 -27.626 -43.034 1.00 100.41 ? 35 GLN B O 1 ATOM 2813 C CB . GLN B 1 59 ? 14.008 -24.877 -44.537 1.00 101.44 ? 35 GLN B CB 1 ATOM 2814 C CG . GLN B 1 59 ? 13.638 -23.719 -45.447 1.00 101.44 ? 35 GLN B CG 1 ATOM 2815 C CD . GLN B 1 59 ? 13.844 -22.375 -44.795 1.00 103.60 ? 35 GLN B CD 1 ATOM 2816 O OE1 . GLN B 1 59 ? 14.437 -22.273 -43.723 1.00 104.77 ? 35 GLN B OE1 1 ATOM 2817 N NE2 . GLN B 1 59 ? 13.348 -21.328 -45.440 1.00 104.69 ? 35 GLN B NE2 1 ATOM 2818 N N . PRO B 1 60 ? 14.831 -28.107 -44.950 1.00 101.87 ? 36 PRO B N 1 ATOM 2819 C CA . PRO B 1 60 ? 15.440 -29.332 -44.427 1.00 102.56 ? 36 PRO B CA 1 ATOM 2820 C C . PRO B 1 60 ? 16.533 -29.038 -43.413 1.00 105.33 ? 36 PRO B C 1 ATOM 2821 O O . PRO B 1 60 ? 16.875 -27.878 -43.198 1.00 106.99 ? 36 PRO B O 1 ATOM 2822 C CB . PRO B 1 60 ? 16.057 -29.960 -45.675 1.00 103.90 ? 36 PRO B CB 1 ATOM 2823 C CG . PRO B 1 60 ? 16.395 -28.800 -46.531 1.00 105.26 ? 36 PRO B CG 1 ATOM 2824 C CD . PRO B 1 60 ? 15.292 -27.802 -46.315 1.00 103.10 ? 36 PRO B CD 1 ATOM 2825 N N . GLU B 1 61 ? 17.062 -30.085 -42.790 1.00 105.93 ? 37 GLU B N 1 ATOM 2826 C CA . GLU B 1 61 ? 18.209 -29.941 -41.905 1.00 109.32 ? 37 GLU B CA 1 ATOM 2827 C C . GLU B 1 61 ? 19.485 -29.970 -42.730 1.00 111.86 ? 37 GLU B C 1 ATOM 2828 O O . GLU B 1 61 ? 20.299 -29.050 -42.678 1.00 114.57 ? 37 GLU B O 1 ATOM 2829 C CB . GLU B 1 61 ? 18.247 -31.071 -40.874 1.00 110.45 ? 37 GLU B CB 1 ATOM 2830 C CG . GLU B 1 61 ? 17.216 -30.956 -39.765 1.00 108.83 ? 37 GLU B CG 1 ATOM 2831 C CD . GLU B 1 61 ? 17.517 -31.876 -38.597 1.00 111.46 ? 37 GLU B CD 1 ATOM 2832 O OE1 . GLU B 1 61 ? 18.254 -32.865 -38.792 1.00 113.91 ? 37 GLU B OE1 1 ATOM 2833 O OE2 . GLU B 1 61 ? 17.024 -31.605 -37.482 1.00 111.54 ? 37 GLU B OE2 1 ATOM 2834 N N . SER B 1 62 ? 19.645 -31.046 -43.490 1.00 111.28 ? 38 SER B N 1 ATOM 2835 C CA . SER B 1 62 ? 20.818 -31.234 -44.326 1.00 114.67 ? 38 SER B CA 1 ATOM 2836 C C . SER B 1 62 ? 20.404 -31.788 -45.680 1.00 113.30 ? 38 SER B C 1 ATOM 2837 O O . SER B 1 62 ? 20.235 -32.997 -45.834 1.00 112.71 ? 38 SER B O 1 ATOM 2838 C CB . SER B 1 62 ? 21.806 -32.181 -43.648 1.00 118.33 ? 38 SER B CB 1 ATOM 2839 O OG . SER B 1 62 ? 22.935 -32.418 -44.469 1.00 122.41 ? 38 SER B OG 1 ATOM 2840 N N . PRO B 1 63 ? 20.229 -30.895 -46.663 1.00 113.69 ? 39 PRO B N 1 ATOM 2841 C CA . PRO B 1 63 ? 19.854 -31.227 -48.040 1.00 112.99 ? 39 PRO B CA 1 ATOM 2842 C C . PRO B 1 63 ? 20.730 -32.333 -48.617 1.00 116.77 ? 39 PRO B C 1 ATOM 2843 O O . PRO B 1 63 ? 20.253 -33.147 -49.406 1.00 96.25 ? 39 PRO B O 1 ATOM 2844 C CB . PRO B 1 63 ? 20.102 -29.916 -48.784 1.00 114.15 ? 39 PRO B CB 1 ATOM 2845 C CG . PRO B 1 63 ? 19.864 -28.867 -47.762 1.00 113.44 ? 39 PRO B CG 1 ATOM 2846 C CD . PRO B 1 63 ? 20.361 -29.440 -46.466 1.00 114.76 ? 39 PRO B CD 1 ATOM 2847 N N . SER B 1 64 ? 21.997 -32.358 -48.217 1.00 102.36 ? 40 SER B N 1 ATOM 2848 C CA . SER B 1 64 ? 22.912 -33.398 -48.663 1.00 110.20 ? 40 SER B CA 1 ATOM 2849 C C . SER B 1 64 ? 22.431 -34.779 -48.222 1.00 109.45 ? 40 SER B C 1 ATOM 2850 O O . SER B 1 64 ? 22.505 -35.743 -48.985 1.00 111.08 ? 40 SER B O 1 ATOM 2851 C CB . SER B 1 64 ? 24.326 -33.128 -48.145 1.00 116.12 ? 40 SER B CB 1 ATOM 2852 O OG . SER B 1 64 ? 24.333 -32.957 -46.739 1.00 116.03 ? 40 SER B OG 1 ATOM 2853 N N . LYS B 1 65 ? 21.929 -34.865 -46.994 1.00 107.14 ? 41 LYS B N 1 ATOM 2854 C CA . LYS B 1 65 ? 21.412 -36.123 -46.471 1.00 102.90 ? 41 LYS B CA 1 ATOM 2855 C C . LYS B 1 65 ? 20.172 -36.540 -47.246 1.00 118.60 ? 41 LYS B C 1 ATOM 2856 O O . LYS B 1 65 ? 19.961 -37.725 -47.507 1.00 119.07 ? 41 LYS B O 1 ATOM 2857 C CB . LYS B 1 65 ? 21.085 -35.999 -44.982 1.00 101.83 ? 41 LYS B CB 1 ATOM 2858 C CG . LYS B 1 65 ? 22.293 -35.733 -44.101 1.00 106.97 ? 41 LYS B CG 1 ATOM 2859 C CD . LYS B 1 65 ? 21.901 -35.645 -42.634 1.00 107.39 ? 41 LYS B CD 1 ATOM 2860 C CE . LYS B 1 65 ? 23.117 -35.434 -41.746 1.00 113.08 ? 41 LYS B CE 1 ATOM 2861 N NZ . LYS B 1 65 ? 23.898 -34.241 -42.163 1.00 113.84 ? 41 LYS B NZ 1 ATOM 2862 N N . LEU B 1 66 ? 19.357 -35.553 -47.607 1.00 114.58 ? 42 LEU B N 1 ATOM 2863 C CA . LEU B 1 66 ? 18.168 -35.791 -48.413 1.00 110.46 ? 42 LEU B CA 1 ATOM 2864 C C . LEU B 1 66 ? 18.578 -36.415 -49.739 1.00 112.78 ? 42 LEU B C 1 ATOM 2865 O O . LEU B 1 66 ? 18.037 -37.440 -50.148 1.00 112.07 ? 42 LEU B O 1 ATOM 2866 C CB . LEU B 1 66 ? 17.404 -34.483 -48.658 1.00 106.66 ? 42 LEU B CB 1 ATOM 2867 C CG . LEU B 1 66 ? 16.408 -33.967 -47.612 1.00 102.41 ? 42 LEU B CG 1 ATOM 2868 C CD1 . LEU B 1 66 ? 17.071 -33.708 -46.268 1.00 104.17 ? 42 LEU B CD1 1 ATOM 2869 C CD2 . LEU B 1 66 ? 15.720 -32.705 -48.115 1.00 99.68 ? 42 LEU B CD2 1 ATOM 2870 N N . ALA B 1 67 ? 19.555 -35.795 -50.393 1.00 115.57 ? 43 ALA B N 1 ATOM 2871 C CA . ALA B 1 67 ? 20.065 -36.292 -51.664 1.00 118.24 ? 43 ALA B CA 1 ATOM 2872 C C . ALA B 1 67 ? 20.600 -37.714 -51.530 1.00 120.90 ? 43 ALA B C 1 ATOM 2873 O O . ALA B 1 67 ? 20.387 -38.556 -52.405 1.00 121.47 ? 43 ALA B O 1 ATOM 2874 C CB . ALA B 1 67 ? 21.142 -35.368 -52.192 1.00 122.10 ? 43 ALA B CB 1 ATOM 2875 N N . SER B 1 68 ? 21.297 -37.968 -50.428 1.00 122.96 ? 44 SER B N 1 ATOM 2876 C CA . SER B 1 68 ? 21.834 -39.292 -50.144 1.00 126.54 ? 44 SER B CA 1 ATOM 2877 C C . SER B 1 68 ? 20.703 -40.311 -50.064 1.00 122.55 ? 44 SER B C 1 ATOM 2878 O O . SER B 1 68 ? 20.790 -41.411 -50.621 1.00 125.05 ? 44 SER B O 1 ATOM 2879 C CB . SER B 1 68 ? 22.615 -39.264 -48.830 1.00 129.38 ? 44 SER B CB 1 ATOM 2880 O OG . SER B 1 68 ? 23.538 -38.189 -48.815 1.00 114.85 ? 44 SER B OG 1 ATOM 2881 N N . ALA B 1 69 ? 19.636 -39.925 -49.373 1.00 117.01 ? 45 ALA B N 1 ATOM 2882 C CA . ALA B 1 69 ? 18.460 -40.772 -49.230 1.00 114.82 ? 45 ALA B CA 1 ATOM 2883 C C . ALA B 1 69 ? 17.805 -41.035 -50.582 1.00 113.04 ? 45 ALA B C 1 ATOM 2884 O O . ALA B 1 69 ? 17.299 -42.129 -50.834 1.00 114.45 ? 45 ALA B O 1 ATOM 2885 C CB . ALA B 1 69 ? 17.470 -40.138 -48.271 1.00 109.81 ? 45 ALA B CB 1 ATOM 2886 N N . ILE B 1 70 ? 17.818 -40.026 -51.447 1.00 111.86 ? 46 ILE B N 1 ATOM 2887 C CA . ILE B 1 70 ? 17.275 -40.168 -52.794 1.00 111.58 ? 46 ILE B CA 1 ATOM 2888 C C . ILE B 1 70 ? 18.086 -41.177 -53.605 1.00 116.52 ? 46 ILE B C 1 ATOM 2889 O O . ILE B 1 70 ? 17.520 -42.046 -54.271 1.00 116.95 ? 46 ILE B O 1 ATOM 2890 C CB . ILE B 1 70 ? 17.239 -38.817 -53.540 1.00 111.26 ? 46 ILE B CB 1 ATOM 2891 C CG1 . ILE B 1 70 ? 16.339 -37.818 -52.810 1.00 107.04 ? 46 ILE B CG1 1 ATOM 2892 C CG2 . ILE B 1 70 ? 16.752 -39.006 -54.966 1.00 112.10 ? 46 ILE B CG2 1 ATOM 2893 C CD1 . ILE B 1 70 ? 16.297 -36.448 -53.457 1.00 106.13 ? 46 ILE B CD1 1 ATOM 2894 N N . GLN B 1 71 ? 19.410 -41.057 -53.545 1.00 121.19 ? 47 GLN B N 1 ATOM 2895 C CA . GLN B 1 71 ? 20.292 -41.976 -54.258 1.00 126.99 ? 47 GLN B CA 1 ATOM 2896 C C . GLN B 1 71 ? 20.093 -43.410 -53.775 1.00 129.08 ? 47 GLN B C 1 ATOM 2897 O O . GLN B 1 71 ? 19.952 -44.336 -54.579 1.00 131.10 ? 47 GLN B O 1 ATOM 2898 C CB . GLN B 1 71 ? 21.759 -41.569 -54.086 1.00 132.31 ? 47 GLN B CB 1 ATOM 2899 C CG . GLN B 1 71 ? 22.119 -40.193 -54.638 1.00 131.83 ? 47 GLN B CG 1 ATOM 2900 C CD . GLN B 1 71 ? 23.623 -39.967 -54.707 1.00 138.41 ? 47 GLN B CD 1 ATOM 2901 O OE1 . GLN B 1 71 ? 24.406 -40.917 -54.671 1.00 143.90 ? 47 GLN B OE1 1 ATOM 2902 N NE2 . GLN B 1 71 ? 24.031 -38.707 -54.805 1.00 138.34 ? 47 GLN B NE2 1 ATOM 2903 N N . LYS B 1 72 ? 20.079 -43.582 -52.456 1.00 129.13 ? 48 LYS B N 1 ATOM 2904 C CA . LYS B 1 72 ? 19.888 -44.899 -51.859 1.00 131.79 ? 48 LYS B CA 1 ATOM 2905 C C . LYS B 1 72 ? 18.542 -45.502 -52.259 1.00 128.52 ? 48 LYS B C 1 ATOM 2906 O O . LYS B 1 72 ? 18.454 -46.685 -52.599 1.00 131.55 ? 48 LYS B O 1 ATOM 2907 C CB . LYS B 1 72 ? 19.997 -44.814 -50.334 1.00 131.82 ? 48 LYS B CB 1 ATOM 2908 C CG . LYS B 1 72 ? 19.793 -46.145 -49.623 1.00 134.68 ? 48 LYS B CG 1 ATOM 2909 C CD . LYS B 1 72 ? 19.906 -46.005 -48.111 1.00 134.95 ? 48 LYS B CD 1 ATOM 2910 C CE . LYS B 1 72 ? 19.730 -47.348 -47.420 1.00 138.30 ? 48 LYS B CE 1 ATOM 2911 N NZ . LYS B 1 72 ? 20.759 -48.333 -47.852 1.00 146.18 ? 48 LYS B NZ 1 ATOM 2912 N N . ALA B 1 73 ? 17.497 -44.680 -52.229 1.00 122.85 ? 49 ALA B N 1 ATOM 2913 C CA . ALA B 1 73 ? 16.153 -45.144 -52.558 1.00 119.98 ? 49 ALA B CA 1 ATOM 2914 C C . ALA B 1 73 ? 16.018 -45.527 -54.029 1.00 122.73 ? 49 ALA B C 1 ATOM 2915 O O . ALA B 1 73 ? 15.375 -46.522 -54.362 1.00 123.25 ? 49 ALA B O 1 ATOM 2916 C CB . ALA B 1 73 ? 15.124 -44.094 -52.183 1.00 113.60 ? 49 ALA B CB 1 ATOM 2917 N N . HIS B 1 74 ? 16.613 -44.726 -54.907 1.00 125.25 ? 50 HIS B N 1 ATOM 2918 C CA . HIS B 1 74 ? 16.602 -45.021 -56.335 1.00 128.81 ? 50 HIS B CA 1 ATOM 2919 C C . HIS B 1 74 ? 17.339 -46.329 -56.582 1.00 136.31 ? 50 HIS B C 1 ATOM 2920 O O . HIS B 1 74 ? 16.875 -47.176 -57.346 1.00 137.74 ? 50 HIS B O 1 ATOM 2921 C CB . HIS B 1 74 ? 17.251 -43.881 -57.125 1.00 130.13 ? 50 HIS B CB 1 ATOM 2922 C CG . HIS B 1 74 ? 17.300 -44.115 -58.604 1.00 133.38 ? 50 HIS B CG 1 ATOM 2923 N ND1 . HIS B 1 74 ? 18.172 -43.442 -59.432 1.00 136.89 ? 50 HIS B ND1 1 ATOM 2924 C CD2 . HIS B 1 74 ? 16.582 -44.940 -59.404 1.00 134.50 ? 50 HIS B CD2 1 ATOM 2925 C CE1 . HIS B 1 74 ? 17.994 -43.847 -60.677 1.00 139.37 ? 50 HIS B CE1 1 ATOM 2926 N NE2 . HIS B 1 74 ? 17.036 -44.756 -60.687 1.00 137.99 ? 50 HIS B NE2 1 ATOM 2927 N N . GLU B 1 75 ? 18.484 -46.487 -55.920 1.00 141.54 ? 51 GLU B N 1 ATOM 2928 C CA . GLU B 1 75 ? 19.267 -47.717 -56.004 1.00 149.55 ? 51 GLU B CA 1 ATOM 2929 C C . GLU B 1 75 ? 18.431 -48.913 -55.558 1.00 149.52 ? 51 GLU B C 1 ATOM 2930 O O . GLU B 1 75 ? 18.533 -50.002 -56.123 1.00 154.21 ? 51 GLU B O 1 ATOM 2931 C CB . GLU B 1 75 ? 20.532 -47.600 -55.148 1.00 154.59 ? 51 GLU B CB 1 ATOM 2932 C CG . GLU B 1 75 ? 21.506 -48.767 -55.276 1.00 163.91 ? 51 GLU B CG 1 ATOM 2933 C CD . GLU B 1 75 ? 21.200 -49.907 -54.322 1.00 166.37 ? 51 GLU B CD 1 ATOM 2934 O OE1 . GLU B 1 75 ? 21.208 -49.679 -53.094 1.00 165.03 ? 51 GLU B OE1 1 ATOM 2935 O OE2 . GLU B 1 75 ? 20.950 -51.032 -54.803 1.00 170.05 ? 51 GLU B OE2 1 ATOM 2936 N N . GLU B 1 76 ? 17.600 -48.694 -54.543 1.00 144.70 ? 52 GLU B N 1 ATOM 2937 C CA . GLU B 1 76 ? 16.695 -49.726 -54.053 1.00 143.56 ? 52 GLU B CA 1 ATOM 2938 C C . GLU B 1 76 ? 15.695 -50.107 -55.140 1.00 140.56 ? 52 GLU B C 1 ATOM 2939 O O . GLU B 1 76 ? 15.186 -51.227 -55.168 1.00 142.53 ? 52 GLU B O 1 ATOM 2940 C CB . GLU B 1 76 ? 15.967 -49.235 -52.798 1.00 139.40 ? 52 GLU B CB 1 ATOM 2941 C CG . GLU B 1 76 ? 15.116 -50.286 -52.104 1.00 139.84 ? 52 GLU B CG 1 ATOM 2942 C CD . GLU B 1 76 ? 14.619 -49.824 -50.750 1.00 136.43 ? 52 GLU B CD 1 ATOM 2943 O OE1 . GLU B 1 76 ? 15.112 -48.789 -50.255 1.00 134.90 ? 52 GLU B OE1 1 ATOM 2944 O OE2 . GLU B 1 76 ? 13.736 -50.498 -50.180 1.00 135.57 ? 52 GLU B OE2 1 ATOM 2945 N N . GLY B 1 77 ? 15.422 -49.167 -56.038 1.00 115.07 ? 53 GLY B N 1 ATOM 2946 C CA . GLY B 1 77 ? 14.518 -49.420 -57.142 1.00 113.25 ? 53 GLY B CA 1 ATOM 2947 C C . GLY B 1 77 ? 13.277 -48.552 -57.109 1.00 109.38 ? 53 GLY B C 1 ATOM 2948 O O . GLY B 1 77 ? 12.260 -48.891 -57.714 1.00 110.22 ? 53 GLY B O 1 ATOM 2949 N N . ILE B 1 78 ? 13.354 -47.427 -56.406 1.00 105.46 ? 54 ILE B N 1 ATOM 2950 C CA . ILE B 1 78 ? 12.218 -46.515 -56.335 1.00 101.72 ? 54 ILE B CA 1 ATOM 2951 C C . ILE B 1 78 ? 12.177 -45.608 -57.566 1.00 97.80 ? 54 ILE B C 1 ATOM 2952 O O . ILE B 1 78 ? 13.210 -45.328 -58.173 1.00 97.83 ? 54 ILE B O 1 ATOM 2953 C CB . ILE B 1 78 ? 12.220 -45.694 -55.028 1.00 101.18 ? 54 ILE B CB 1 ATOM 2954 C CG1 . ILE B 1 78 ? 10.787 -45.440 -54.556 1.00 101.45 ? 54 ILE B CG1 1 ATOM 2955 C CG2 . ILE B 1 78 ? 12.986 -44.396 -55.198 1.00 78.74 ? 54 ILE B CG2 1 ATOM 2956 C CD1 . ILE B 1 78 ? 10.689 -44.967 -53.126 1.00 101.82 ? 54 ILE B CD1 1 ATOM 2957 N N . CYS B 1 79 ? 10.977 -45.170 -57.939 1.00 94.62 ? 55 CYS B N 1 ATOM 2958 C CA . CYS B 1 79 ? 10.793 -44.366 -59.145 1.00 91.78 ? 55 CYS B CA 1 ATOM 2959 C C . CYS B 1 79 ? 10.575 -42.896 -58.819 1.00 88.72 ? 55 CYS B C 1 ATOM 2960 O O . CYS B 1 79 ? 11.017 -42.016 -59.556 1.00 87.99 ? 55 CYS B O 1 ATOM 2961 C CB . CYS B 1 79 ? 9.611 -44.886 -59.964 1.00 92.37 ? 55 CYS B CB 1 ATOM 2962 S SG . CYS B 1 79 ? 8.007 -44.713 -59.148 1.00 143.21 ? 55 CYS B SG 1 ATOM 2963 N N . GLY B 1 80 ? 9.877 -42.634 -57.719 1.00 87.82 ? 56 GLY B N 1 ATOM 2964 C CA . GLY B 1 80 ? 9.612 -41.269 -57.306 1.00 85.92 ? 56 GLY B CA 1 ATOM 2965 C C . GLY B 1 80 ? 9.053 -41.168 -55.903 1.00 86.36 ? 56 GLY B C 1 ATOM 2966 O O . GLY B 1 80 ? 8.902 -42.175 -55.215 1.00 87.78 ? 56 GLY B O 1 ATOM 2967 N N . ILE B 1 81 ? 8.762 -39.946 -55.465 1.00 85.67 ? 57 ILE B N 1 ATOM 2968 C CA . ILE B 1 81 ? 8.131 -39.737 -54.163 1.00 86.25 ? 57 ILE B CA 1 ATOM 2969 C C . ILE B 1 81 ? 6.918 -38.818 -54.283 1.00 85.08 ? 57 ILE B C 1 ATOM 2970 O O . ILE B 1 81 ? 6.743 -38.130 -55.285 1.00 83.99 ? 57 ILE B O 1 ATOM 2971 C CB . ILE B 1 81 ? 9.118 -39.172 -53.104 1.00 74.52 ? 57 ILE B CB 1 ATOM 2972 C CG1 . ILE B 1 81 ? 9.178 -37.644 -53.155 1.00 72.89 ? 57 ILE B CG1 1 ATOM 2973 C CG2 . ILE B 1 81 ? 10.504 -39.768 -53.273 1.00 75.75 ? 57 ILE B CG2 1 ATOM 2974 C CD1 . ILE B 1 81 ? 10.236 -37.050 -52.243 1.00 73.10 ? 57 ILE B CD1 1 ATOM 2975 N N . ARG B 1 82 ? 6.071 -38.825 -53.262 1.00 85.80 ? 58 ARG B N 1 ATOM 2976 C CA . ARG B 1 82 ? 4.921 -37.937 -53.240 1.00 85.18 ? 58 ARG B CA 1 ATOM 2977 C C . ARG B 1 82 ? 4.889 -37.147 -51.939 1.00 85.09 ? 58 ARG B C 1 ATOM 2978 O O . ARG B 1 82 ? 4.995 -37.714 -50.851 1.00 85.56 ? 58 ARG B O 1 ATOM 2979 C CB . ARG B 1 82 ? 3.616 -38.722 -53.414 1.00 86.72 ? 58 ARG B CB 1 ATOM 2980 C CG . ARG B 1 82 ? 3.637 -39.722 -54.558 1.00 87.94 ? 58 ARG B CG 1 ATOM 2981 C CD . ARG B 1 82 ? 2.299 -39.790 -55.275 1.00 88.95 ? 58 ARG B CD 1 ATOM 2982 N NE . ARG B 1 82 ? 2.054 -38.603 -56.087 1.00 87.33 ? 58 ARG B NE 1 ATOM 2983 C CZ . ARG B 1 82 ? 2.160 -38.564 -57.412 1.00 87.37 ? 58 ARG B CZ 1 ATOM 2984 N NH1 . ARG B 1 82 ? 1.920 -37.435 -58.062 1.00 86.23 ? 58 ARG B NH1 1 ATOM 2985 N NH2 . ARG B 1 82 ? 2.497 -39.653 -58.088 1.00 88.83 ? 58 ARG B NH2 1 ATOM 2986 N N . SER B 1 83 ? 4.747 -35.832 -52.063 1.00 84.39 ? 59 SER B N 1 ATOM 2987 C CA . SER B 1 83 ? 4.595 -34.963 -50.905 1.00 84.36 ? 59 SER B CA 1 ATOM 2988 C C . SER B 1 83 ? 3.412 -35.416 -50.061 1.00 85.73 ? 59 SER B C 1 ATOM 2989 O O . SER B 1 83 ? 2.514 -36.097 -50.552 1.00 86.53 ? 59 SER B O 1 ATOM 2990 C CB . SER B 1 83 ? 4.368 -33.519 -51.351 1.00 82.85 ? 59 SER B CB 1 ATOM 2991 O OG . SER B 1 83 ? 5.314 -33.122 -52.323 1.00 82.10 ? 59 SER B OG 1 ATOM 2992 N N . VAL B 1 84 ? 3.419 -35.038 -48.788 1.00 86.69 ? 60 VAL B N 1 ATOM 2993 C CA . VAL B 1 84 ? 2.301 -35.321 -47.901 1.00 88.90 ? 60 VAL B CA 1 ATOM 2994 C C . VAL B 1 84 ? 1.437 -34.082 -47.809 1.00 88.19 ? 60 VAL B C 1 ATOM 2995 O O . VAL B 1 84 ? 0.209 -34.160 -47.843 1.00 89.48 ? 60 VAL B O 1 ATOM 2996 C CB . VAL B 1 84 ? 2.782 -35.669 -46.486 1.00 91.21 ? 60 VAL B CB 1 ATOM 2997 C CG1 . VAL B 1 84 ? 1.608 -36.055 -45.602 1.00 93.25 ? 60 VAL B CG1 1 ATOM 2998 C CG2 . VAL B 1 84 ? 3.792 -36.787 -46.539 1.00 92.73 ? 60 VAL B CG2 1 ATOM 2999 N N . THR B 1 85 ? 2.098 -32.935 -47.695 1.00 86.61 ? 61 THR B N 1 ATOM 3000 C CA . THR B 1 85 ? 1.409 -31.662 -47.540 1.00 85.80 ? 61 THR B CA 1 ATOM 3001 C C . THR B 1 85 ? 1.860 -30.628 -48.579 1.00 83.35 ? 61 THR B C 1 ATOM 3002 O O . THR B 1 85 ? 2.818 -30.852 -49.315 1.00 83.07 ? 61 THR B O 1 ATOM 3003 C CB . THR B 1 85 ? 1.571 -31.112 -46.104 1.00 87.38 ? 61 THR B CB 1 ATOM 3004 O OG1 . THR B 1 85 ? 1.035 -29.786 -46.027 1.00 87.33 ? 61 THR B OG1 1 ATOM 3005 C CG2 . THR B 1 85 ? 3.035 -31.088 -45.697 1.00 87.75 ? 61 THR B CG2 1 ATOM 3006 N N . ARG B 1 86 ? 1.149 -29.505 -48.628 1.00 81.71 ? 62 ARG B N 1 ATOM 3007 C CA . ARG B 1 86 ? 1.401 -28.426 -49.584 1.00 79.70 ? 62 ARG B CA 1 ATOM 3008 C C . ARG B 1 86 ? 2.806 -27.835 -49.460 1.00 78.28 ? 62 ARG B C 1 ATOM 3009 O O . ARG B 1 86 ? 3.607 -27.903 -50.394 1.00 78.06 ? 62 ARG B O 1 ATOM 3010 C CB . ARG B 1 86 ? 0.353 -27.326 -49.375 1.00 80.07 ? 62 ARG B CB 1 ATOM 3011 C CG . ARG B 1 86 ? 0.528 -26.062 -50.204 1.00 80.05 ? 62 ARG B CG 1 ATOM 3012 C CD . ARG B 1 86 ? -0.147 -24.874 -49.520 1.00 80.79 ? 62 ARG B CD 1 ATOM 3013 N NE . ARG B 1 86 ? -0.279 -23.718 -50.403 1.00 81.70 ? 62 ARG B NE 1 ATOM 3014 C CZ . ARG B 1 86 ? -0.460 -22.467 -49.989 1.00 82.84 ? 62 ARG B CZ 1 ATOM 3015 N NH1 . ARG B 1 86 ? -0.519 -22.190 -48.695 1.00 83.15 ? 62 ARG B NH1 1 ATOM 3016 N NH2 . ARG B 1 86 ? -0.572 -21.488 -50.874 1.00 84.06 ? 62 ARG B NH2 1 ATOM 3017 N N . LEU B 1 87 ? 3.094 -27.264 -48.295 1.00 77.73 ? 63 LEU B N 1 ATOM 3018 C CA . LEU B 1 87 ? 4.368 -26.600 -48.040 1.00 77.47 ? 63 LEU B CA 1 ATOM 3019 C C . LEU B 1 87 ? 5.570 -27.531 -48.216 1.00 76.57 ? 63 LEU B C 1 ATOM 3020 O O . LEU B 1 87 ? 6.691 -27.075 -48.443 1.00 77.38 ? 63 LEU B O 1 ATOM 3021 C CB . LEU B 1 87 ? 4.371 -25.996 -46.638 1.00 78.54 ? 63 LEU B CB 1 ATOM 3022 C CG . LEU B 1 87 ? 3.204 -25.093 -46.252 1.00 78.82 ? 63 LEU B CG 1 ATOM 3023 C CD1 . LEU B 1 87 ? 3.374 -24.593 -44.833 1.00 69.03 ? 63 LEU B CD1 1 ATOM 3024 C CD2 . LEU B 1 87 ? 3.092 -23.932 -47.211 1.00 79.30 ? 63 LEU B CD2 1 ATOM 3025 N N . GLU B 1 88 ? 5.331 -28.833 -48.103 1.00 75.36 ? 64 GLU B N 1 ATOM 3026 C CA . GLU B 1 88 ? 6.363 -29.824 -48.369 1.00 75.20 ? 64 GLU B CA 1 ATOM 3027 C C . GLU B 1 88 ? 6.710 -29.777 -49.848 1.00 74.36 ? 64 GLU B C 1 ATOM 3028 O O . GLU B 1 88 ? 7.876 -29.644 -50.222 1.00 74.97 ? 64 GLU B O 1 ATOM 3029 C CB . GLU B 1 88 ? 5.868 -31.219 -47.977 1.00 75.16 ? 64 GLU B CB 1 ATOM 3030 C CG . GLU B 1 88 ? 6.835 -32.356 -48.282 1.00 75.61 ? 64 GLU B CG 1 ATOM 3031 C CD . GLU B 1 88 ? 6.335 -33.693 -47.772 1.00 76.72 ? 64 GLU B CD 1 ATOM 3032 O OE1 . GLU B 1 88 ? 5.440 -33.702 -46.901 1.00 77.18 ? 64 GLU B OE1 1 ATOM 3033 O OE2 . GLU B 1 88 ? 6.836 -34.735 -48.241 1.00 77.49 ? 64 GLU B OE2 1 ATOM 3034 N N . ASN B 1 89 ? 5.681 -29.881 -50.683 1.00 73.50 ? 65 ASN B N 1 ATOM 3035 C CA . ASN B 1 89 ? 5.836 -29.749 -52.123 1.00 73.63 ? 65 ASN B CA 1 ATOM 3036 C C . ASN B 1 89 ? 6.507 -28.427 -52.484 1.00 75.16 ? 65 ASN B C 1 ATOM 3037 O O . ASN B 1 89 ? 7.351 -28.373 -53.380 1.00 75.99 ? 65 ASN B O 1 ATOM 3038 C CB . ASN B 1 89 ? 4.472 -29.869 -52.805 1.00 73.05 ? 65 ASN B CB 1 ATOM 3039 C CG . ASN B 1 89 ? 4.530 -29.573 -54.288 1.00 73.42 ? 65 ASN B CG 1 ATOM 3040 O OD1 . ASN B 1 89 ? 4.140 -28.493 -54.734 1.00 73.48 ? 65 ASN B OD1 1 ATOM 3041 N ND2 . ASN B 1 89 ? 5.013 -30.535 -55.064 1.00 73.90 ? 65 ASN B ND2 1 ATOM 3042 N N . LEU B 1 90 ? 6.137 -27.367 -51.766 1.00 75.85 ? 66 LEU B N 1 ATOM 3043 C CA . LEU B 1 90 ? 6.767 -26.064 -51.950 1.00 77.48 ? 66 LEU B CA 1 ATOM 3044 C C . LEU B 1 90 ? 8.261 -26.128 -51.656 1.00 79.27 ? 66 LEU B C 1 ATOM 3045 O O . LEU B 1 90 ? 9.062 -25.562 -52.390 1.00 80.87 ? 66 LEU B O 1 ATOM 3046 C CB . LEU B 1 90 ? 6.105 -25.001 -51.074 1.00 77.61 ? 66 LEU B CB 1 ATOM 3047 C CG . LEU B 1 90 ? 4.659 -24.641 -51.405 1.00 76.64 ? 66 LEU B CG 1 ATOM 3048 C CD1 . LEU B 1 90 ? 4.249 -23.355 -50.704 1.00 77.75 ? 66 LEU B CD1 1 ATOM 3049 C CD2 . LEU B 1 90 ? 4.470 -24.520 -52.905 1.00 76.63 ? 66 LEU B CD2 1 ATOM 3050 N N . MET B 1 91 ? 8.628 -26.825 -50.585 1.00 79.83 ? 67 MET B N 1 ATOM 3051 C CA . MET B 1 91 ? 10.034 -27.004 -50.241 1.00 82.09 ? 67 MET B CA 1 ATOM 3052 C C . MET B 1 91 ? 10.772 -27.740 -51.349 1.00 82.25 ? 67 MET B C 1 ATOM 3053 O O . MET B 1 91 ? 11.852 -27.321 -51.770 1.00 84.42 ? 67 MET B O 1 ATOM 3054 C CB . MET B 1 91 ? 10.180 -27.773 -48.931 1.00 82.25 ? 67 MET B CB 1 ATOM 3055 C CG . MET B 1 91 ? 11.619 -28.091 -48.577 1.00 72.39 ? 67 MET B CG 1 ATOM 3056 S SD . MET B 1 91 ? 11.792 -28.981 -47.025 1.00 102.72 ? 67 MET B SD 1 ATOM 3057 C CE . MET B 1 91 ? 11.013 -30.536 -47.445 1.00 100.68 ? 67 MET B CE 1 ATOM 3058 N N . TRP B 1 92 ? 10.180 -28.837 -51.812 1.00 80.66 ? 68 TRP B N 1 ATOM 3059 C CA . TRP B 1 92 ? 10.751 -29.601 -52.910 1.00 81.32 ? 68 TRP B CA 1 ATOM 3060 C C . TRP B 1 92 ? 11.003 -28.704 -54.114 1.00 85.01 ? 68 TRP B C 1 ATOM 3061 O O . TRP B 1 92 ? 12.073 -28.748 -54.709 1.00 86.94 ? 68 TRP B O 1 ATOM 3062 C CB . TRP B 1 92 ? 9.835 -30.761 -53.304 1.00 77.59 ? 68 TRP B CB 1 ATOM 3063 C CG . TRP B 1 92 ? 9.719 -31.829 -52.262 1.00 75.62 ? 68 TRP B CG 1 ATOM 3064 C CD1 . TRP B 1 92 ? 8.582 -32.244 -51.641 1.00 74.34 ? 68 TRP B CD1 1 ATOM 3065 C CD2 . TRP B 1 92 ? 10.784 -32.616 -51.718 1.00 75.91 ? 68 TRP B CD2 1 ATOM 3066 N NE1 . TRP B 1 92 ? 8.870 -33.244 -50.745 1.00 74.48 ? 68 TRP B NE1 1 ATOM 3067 C CE2 . TRP B 1 92 ? 10.216 -33.489 -50.774 1.00 75.38 ? 68 TRP B CE2 1 ATOM 3068 C CE3 . TRP B 1 92 ? 12.162 -32.666 -51.938 1.00 77.26 ? 68 TRP B CE3 1 ATOM 3069 C CZ2 . TRP B 1 92 ? 10.980 -34.400 -50.049 1.00 76.57 ? 68 TRP B CZ2 1 ATOM 3070 C CZ3 . TRP B 1 92 ? 12.917 -33.570 -51.218 1.00 78.26 ? 68 TRP B CZ3 1 ATOM 3071 C CH2 . TRP B 1 92 ? 12.326 -34.425 -50.286 1.00 77.89 ? 68 TRP B CH2 1 ATOM 3072 N N . LYS B 1 93 ? 10.020 -27.877 -54.457 1.00 87.07 ? 69 LYS B N 1 ATOM 3073 C CA . LYS B 1 93 ? 10.167 -26.947 -55.575 1.00 90.97 ? 69 LYS B CA 1 ATOM 3074 C C . LYS B 1 93 ? 11.195 -25.851 -55.299 1.00 95.98 ? 69 LYS B C 1 ATOM 3075 O O . LYS B 1 93 ? 11.742 -25.262 -56.228 1.00 98.33 ? 69 LYS B O 1 ATOM 3076 C CB . LYS B 1 93 ? 8.822 -26.311 -55.933 1.00 90.05 ? 69 LYS B CB 1 ATOM 3077 C CG . LYS B 1 93 ? 7.874 -27.224 -56.694 1.00 88.23 ? 69 LYS B CG 1 ATOM 3078 C CD . LYS B 1 93 ? 6.572 -26.506 -57.021 1.00 88.05 ? 69 LYS B CD 1 ATOM 3079 C CE . LYS B 1 93 ? 5.672 -27.349 -57.915 1.00 87.48 ? 69 LYS B CE 1 ATOM 3080 N NZ . LYS B 1 93 ? 5.283 -28.645 -57.293 1.00 85.76 ? 69 LYS B NZ 1 ATOM 3081 N N . GLN B 1 94 ? 11.449 -25.582 -54.022 1.00 98.55 ? 70 GLN B N 1 ATOM 3082 C CA . GLN B 1 94 ? 12.360 -24.512 -53.624 1.00 103.96 ? 70 GLN B CA 1 ATOM 3083 C C . GLN B 1 94 ? 13.802 -24.992 -53.466 1.00 106.81 ? 70 GLN B C 1 ATOM 3084 O O . GLN B 1 94 ? 14.720 -24.183 -53.350 1.00 110.07 ? 70 GLN B O 1 ATOM 3085 C CB . GLN B 1 94 ? 11.880 -23.852 -52.324 1.00 105.17 ? 70 GLN B CB 1 ATOM 3086 C CG . GLN B 1 94 ? 10.690 -22.901 -52.488 1.00 105.74 ? 70 GLN B CG 1 ATOM 3087 C CD . GLN B 1 94 ? 10.056 -22.512 -51.157 1.00 106.01 ? 70 GLN B CD 1 ATOM 3088 O OE1 . GLN B 1 94 ? 10.610 -22.777 -50.089 1.00 107.10 ? 70 GLN B OE1 1 ATOM 3089 N NE2 . GLN B 1 94 ? 8.884 -21.888 -51.220 1.00 105.11 ? 70 GLN B NE2 1 ATOM 3090 N N . ILE B 1 95 ? 14.001 -26.307 -53.466 1.00 106.07 ? 71 ILE B N 1 ATOM 3091 C CA . ILE B 1 95 ? 15.335 -26.857 -53.240 1.00 109.07 ? 71 ILE B CA 1 ATOM 3092 C C . ILE B 1 95 ? 15.760 -27.874 -54.307 1.00 108.50 ? 71 ILE B C 1 ATOM 3093 O O . ILE B 1 95 ? 16.887 -28.369 -54.290 1.00 110.57 ? 71 ILE B O 1 ATOM 3094 C CB . ILE B 1 95 ? 15.448 -27.473 -51.824 1.00 109.32 ? 71 ILE B CB 1 ATOM 3095 C CG1 . ILE B 1 95 ? 16.905 -27.490 -51.350 1.00 113.70 ? 71 ILE B CG1 1 ATOM 3096 C CG2 . ILE B 1 95 ? 14.826 -28.860 -51.783 1.00 106.21 ? 71 ILE B CG2 1 ATOM 3097 C CD1 . ILE B 1 95 ? 17.083 -27.982 -49.931 1.00 114.43 ? 71 ILE B CD1 1 ATOM 3098 N N . THR B 1 96 ? 14.859 -28.170 -55.239 1.00 105.84 ? 72 THR B N 1 ATOM 3099 C CA . THR B 1 96 ? 15.151 -29.106 -56.329 1.00 105.35 ? 72 THR B CA 1 ATOM 3100 C C . THR B 1 96 ? 16.404 -28.770 -57.150 1.00 109.00 ? 72 THR B C 1 ATOM 3101 O O . THR B 1 96 ? 17.259 -29.637 -57.340 1.00 109.76 ? 72 THR B O 1 ATOM 3102 C CB . THR B 1 96 ? 13.946 -29.285 -57.278 1.00 102.72 ? 72 THR B CB 1 ATOM 3103 O OG1 . THR B 1 96 ? 12.793 -29.663 -56.518 1.00 100.12 ? 72 THR B OG1 1 ATOM 3104 C CG2 . THR B 1 96 ? 14.238 -30.353 -58.323 1.00 102.47 ? 72 THR B CG2 1 ATOM 3105 N N . PRO B 1 97 ? 16.523 -27.521 -57.643 1.00 112.12 ? 73 PRO B N 1 ATOM 3106 C CA . PRO B 1 97 ? 17.724 -27.247 -58.434 1.00 116.04 ? 73 PRO B CA 1 ATOM 3107 C C . PRO B 1 97 ? 18.989 -27.409 -57.603 1.00 118.32 ? 73 PRO B C 1 ATOM 3108 O O . PRO B 1 97 ? 19.982 -27.914 -58.117 1.00 120.84 ? 73 PRO B O 1 ATOM 3109 C CB . PRO B 1 97 ? 17.541 -25.785 -58.853 1.00 119.44 ? 73 PRO B CB 1 ATOM 3110 C CG . PRO B 1 97 ? 16.617 -25.212 -57.846 1.00 117.44 ? 73 PRO B CG 1 ATOM 3111 C CD . PRO B 1 97 ? 15.679 -26.320 -57.507 1.00 112.46 ? 73 PRO B CD 1 ATOM 3112 N N . GLU B 1 98 ? 18.943 -27.005 -56.337 1.00 116.96 ? 74 GLU B N 1 ATOM 3113 C CA . GLU B 1 98 ? 20.085 -27.181 -55.447 1.00 118.52 ? 74 GLU B CA 1 ATOM 3114 C C . GLU B 1 98 ? 20.358 -28.666 -55.250 1.00 117.32 ? 74 GLU B C 1 ATOM 3115 O O . GLU B 1 98 ? 21.508 -29.100 -55.246 1.00 120.87 ? 74 GLU B O 1 ATOM 3116 C CB . GLU B 1 98 ? 19.839 -26.503 -54.096 1.00 116.76 ? 74 GLU B CB 1 ATOM 3117 C CG . GLU B 1 98 ? 21.018 -26.606 -53.128 1.00 118.58 ? 74 GLU B CG 1 ATOM 3118 C CD . GLU B 1 98 ? 20.760 -25.920 -51.794 1.00 117.81 ? 74 GLU B CD 1 ATOM 3119 O OE1 . GLU B 1 98 ? 21.723 -25.763 -51.012 1.00 121.14 ? 74 GLU B OE1 1 ATOM 3120 O OE2 . GLU B 1 98 ? 19.601 -25.540 -51.524 1.00 114.39 ? 74 GLU B OE2 1 ATOM 3121 N N . LEU B 1 99 ? 19.289 -29.438 -55.095 1.00 112.78 ? 75 LEU B N 1 ATOM 3122 C CA . LEU B 1 99 ? 19.406 -30.879 -54.922 1.00 111.49 ? 75 LEU B CA 1 ATOM 3123 C C . LEU B 1 99 ? 20.044 -31.529 -56.139 1.00 113.18 ? 75 LEU B C 1 ATOM 3124 O O . LEU B 1 99 ? 21.052 -32.222 -56.018 1.00 115.49 ? 75 LEU B O 1 ATOM 3125 C CB . LEU B 1 99 ? 18.039 -31.499 -54.646 1.00 80.52 ? 75 LEU B CB 1 ATOM 3126 C CG . LEU B 1 99 ? 17.607 -31.471 -53.183 1.00 79.67 ? 75 LEU B CG 1 ATOM 3127 C CD1 . LEU B 1 99 ? 16.211 -32.033 -53.020 1.00 76.74 ? 75 LEU B CD1 1 ATOM 3128 C CD2 . LEU B 1 99 ? 18.597 -32.259 -52.351 1.00 81.75 ? 75 LEU B CD2 1 ATOM 3129 N N . ASN B 1 100 ? 19.457 -31.294 -57.308 1.00 113.08 ? 76 ASN B N 1 ATOM 3130 C CA . ASN B 1 100 ? 20.005 -31.814 -58.555 1.00 115.40 ? 76 ASN B CA 1 ATOM 3131 C C . ASN B 1 100 ? 21.435 -31.342 -58.786 1.00 121.22 ? 76 ASN B C 1 ATOM 3132 O O . ASN B 1 100 ? 22.222 -32.014 -59.451 1.00 122.89 ? 76 ASN B O 1 ATOM 3133 C CB . ASN B 1 100 ? 19.119 -31.422 -59.738 1.00 114.42 ? 76 ASN B CB 1 ATOM 3134 C CG . ASN B 1 100 ? 18.158 -32.524 -60.138 1.00 111.06 ? 76 ASN B CG 1 ATOM 3135 O OD1 . ASN B 1 100 ? 18.486 -33.707 -60.060 1.00 110.63 ? 76 ASN B OD1 1 ATOM 3136 N ND2 . ASN B 1 100 ? 16.966 -32.139 -60.575 1.00 109.08 ? 76 ASN B ND2 1 ATOM 3137 N N . HIS B 1 101 ? 21.769 -30.185 -58.226 1.00 124.69 ? 77 HIS B N 1 ATOM 3138 C CA . HIS B 1 101 ? 23.127 -29.668 -58.302 1.00 130.88 ? 77 HIS B CA 1 ATOM 3139 C C . HIS B 1 101 ? 24.045 -30.502 -57.415 1.00 131.99 ? 77 HIS B C 1 ATOM 3140 O O . HIS B 1 101 ? 25.138 -30.886 -57.825 1.00 135.52 ? 77 HIS B O 1 ATOM 3141 C CB . HIS B 1 101 ? 23.159 -28.200 -57.872 1.00 134.57 ? 77 HIS B CB 1 ATOM 3142 C CG . HIS B 1 101 ? 24.450 -27.509 -58.176 1.00 141.32 ? 77 HIS B CG 1 ATOM 3143 N ND1 . HIS B 1 101 ? 24.981 -27.445 -59.447 1.00 144.81 ? 77 HIS B ND1 1 ATOM 3144 C CD2 . HIS B 1 101 ? 25.313 -26.842 -57.375 1.00 146.29 ? 77 HIS B CD2 1 ATOM 3145 C CE1 . HIS B 1 101 ? 26.118 -26.774 -59.414 1.00 151.57 ? 77 HIS B CE1 1 ATOM 3146 N NE2 . HIS B 1 101 ? 26.342 -26.396 -58.169 1.00 152.72 ? 77 HIS B NE2 1 ATOM 3147 N N . ILE B 1 102 ? 23.585 -30.779 -56.198 1.00 126.63 ? 78 ILE B N 1 ATOM 3148 C CA . ILE B 1 102 ? 24.334 -31.591 -55.245 1.00 126.58 ? 78 ILE B CA 1 ATOM 3149 C C . ILE B 1 102 ? 24.643 -32.978 -55.806 1.00 125.40 ? 78 ILE B C 1 ATOM 3150 O O . ILE B 1 102 ? 25.753 -33.487 -55.655 1.00 128.99 ? 78 ILE B O 1 ATOM 3151 C CB . ILE B 1 102 ? 23.563 -31.736 -53.919 1.00 123.85 ? 78 ILE B CB 1 ATOM 3152 C CG1 . ILE B 1 102 ? 23.481 -30.386 -53.205 1.00 124.89 ? 78 ILE B CG1 1 ATOM 3153 C CG2 . ILE B 1 102 ? 24.224 -32.762 -53.018 1.00 125.57 ? 78 ILE B CG2 1 ATOM 3154 C CD1 . ILE B 1 102 ? 22.694 -30.422 -51.917 1.00 122.30 ? 78 ILE B CD1 1 ATOM 3155 N N . LEU B 1 103 ? 23.649 -33.573 -56.457 1.00 120.45 ? 79 LEU B N 1 ATOM 3156 C CA . LEU B 1 103 ? 23.783 -34.894 -57.060 1.00 119.31 ? 79 LEU B CA 1 ATOM 3157 C C . LEU B 1 103 ? 24.978 -34.985 -57.999 1.00 123.03 ? 79 LEU B C 1 ATOM 3158 O O . LEU B 1 103 ? 25.879 -35.801 -57.796 1.00 125.06 ? 79 LEU B O 1 ATOM 3159 C CB . LEU B 1 103 ? 22.507 -35.252 -57.826 1.00 115.22 ? 79 LEU B CB 1 ATOM 3160 C CG . LEU B 1 103 ? 21.449 -36.088 -57.104 1.00 111.47 ? 79 LEU B CG 1 ATOM 3161 C CD1 . LEU B 1 103 ? 20.953 -35.385 -55.858 1.00 110.32 ? 79 LEU B CD1 1 ATOM 3162 C CD2 . LEU B 1 103 ? 20.293 -36.406 -58.038 1.00 108.48 ? 79 LEU B CD2 1 ATOM 3163 N N . SER B 1 104 ? 24.971 -34.143 -59.027 1.00 124.53 ? 80 SER B N 1 ATOM 3164 C CA . SER B 1 104 ? 26.038 -34.115 -60.019 1.00 128.76 ? 80 SER B CA 1 ATOM 3165 C C . SER B 1 104 ? 27.398 -33.891 -59.361 1.00 133.44 ? 80 SER B C 1 ATOM 3166 O O . SER B 1 104 ? 28.349 -34.629 -59.618 1.00 136.21 ? 80 SER B O 1 ATOM 3167 C CB . SER B 1 104 ? 25.762 -33.022 -61.053 1.00 130.30 ? 80 SER B CB 1 ATOM 3168 O OG . SER B 1 104 ? 26.737 -33.025 -62.078 1.00 134.84 ? 80 SER B OG 1 ATOM 3169 N N . GLU B 1 105 ? 27.473 -32.880 -58.500 1.00 134.31 ? 81 GLU B N 1 ATOM 3170 C CA . GLU B 1 105 ? 28.712 -32.543 -57.806 1.00 139.11 ? 81 GLU B CA 1 ATOM 3171 C C . GLU B 1 105 ? 29.207 -33.679 -56.916 1.00 138.38 ? 81 GLU B C 1 ATOM 3172 O O . GLU B 1 105 ? 30.411 -33.836 -56.711 1.00 143.34 ? 81 GLU B O 1 ATOM 3173 C CB . GLU B 1 105 ? 28.531 -31.278 -56.966 1.00 140.84 ? 81 GLU B CB 1 ATOM 3174 C CG . GLU B 1 105 ? 28.273 -30.019 -57.772 1.00 143.46 ? 81 GLU B CG 1 ATOM 3175 C CD . GLU B 1 105 ? 28.143 -28.791 -56.895 1.00 147.73 ? 81 GLU B CD 1 ATOM 3176 O OE1 . GLU B 1 105 ? 27.900 -28.952 -55.680 1.00 147.04 ? 81 GLU B OE1 1 ATOM 3177 O OE2 . GLU B 1 105 ? 28.292 -27.667 -57.418 1.00 152.24 ? 81 GLU B OE2 1 ATOM 3178 N N . ASN B 1 106 ? 28.276 -34.462 -56.382 1.00 159.95 ? 82 ASN B N 1 ATOM 3179 C CA . ASN B 1 106 ? 28.645 -35.586 -55.533 1.00 158.51 ? 82 ASN B CA 1 ATOM 3180 C C . ASN B 1 106 ? 28.582 -36.915 -56.277 1.00 156.23 ? 82 ASN B C 1 ATOM 3181 O O . ASN B 1 106 ? 28.218 -37.944 -55.708 1.00 153.56 ? 82 ASN B O 1 ATOM 3182 C CB . ASN B 1 106 ? 27.797 -35.619 -54.260 1.00 155.07 ? 82 ASN B CB 1 ATOM 3183 C CG . ASN B 1 106 ? 28.064 -34.430 -53.352 1.00 157.94 ? 82 ASN B CG 1 ATOM 3184 O OD1 . ASN B 1 106 ? 29.050 -33.712 -53.524 1.00 163.30 ? 82 ASN B OD1 1 ATOM 3185 N ND2 . ASN B 1 106 ? 27.191 -34.221 -52.375 1.00 154.79 ? 82 ASN B ND2 1 ATOM 3186 N N . GLU B 1 107 ? 28.932 -36.867 -57.560 1.00 157.19 ? 83 GLU B N 1 ATOM 3187 C CA . GLU B 1 107 ? 29.161 -38.058 -58.377 1.00 156.44 ? 83 GLU B CA 1 ATOM 3188 C C . GLU B 1 107 ? 27.972 -39.005 -58.494 1.00 150.44 ? 83 GLU B C 1 ATOM 3189 O O . GLU B 1 107 ? 27.965 -40.081 -57.893 1.00 149.08 ? 83 GLU B O 1 ATOM 3190 C CB . GLU B 1 107 ? 30.373 -38.832 -57.858 1.00 159.53 ? 83 GLU B CB 1 ATOM 3191 C CG . GLU B 1 107 ? 31.595 -37.975 -57.599 1.00 164.68 ? 83 GLU B CG 1 ATOM 3192 C CD . GLU B 1 107 ? 32.681 -38.740 -56.876 1.00 167.82 ? 83 GLU B CD 1 ATOM 3193 O OE1 . GLU B 1 107 ? 32.528 -39.969 -56.709 1.00 165.85 ? 83 GLU B OE1 1 ATOM 3194 O OE2 . GLU B 1 107 ? 33.682 -38.116 -56.471 1.00 172.57 ? 83 GLU B OE2 1 ATOM 3195 N N . VAL B 1 108 ? 26.981 -38.602 -59.283 1.00 147.21 ? 84 VAL B N 1 ATOM 3196 C CA . VAL B 1 108 ? 25.856 -39.467 -59.618 1.00 142.43 ? 84 VAL B CA 1 ATOM 3197 C C . VAL B 1 108 ? 25.094 -38.863 -60.795 1.00 141.25 ? 84 VAL B C 1 ATOM 3198 O O . VAL B 1 108 ? 25.099 -37.646 -60.987 1.00 142.87 ? 84 VAL B O 1 ATOM 3199 C CB . VAL B 1 108 ? 24.919 -39.690 -58.411 1.00 122.03 ? 84 VAL B CB 1 ATOM 3200 C CG1 . VAL B 1 108 ? 24.111 -38.447 -58.128 1.00 120.74 ? 84 VAL B CG1 1 ATOM 3201 C CG2 . VAL B 1 108 ? 24.010 -40.886 -58.649 1.00 118.18 ? 84 VAL B CG2 1 ATOM 3202 N N . LYS B 1 109 ? 24.457 -39.717 -61.589 1.00 138.83 ? 85 LYS B N 1 ATOM 3203 C CA . LYS B 1 109 ? 23.773 -39.275 -62.800 1.00 137.56 ? 85 LYS B CA 1 ATOM 3204 C C . LYS B 1 109 ? 22.253 -39.425 -62.700 1.00 130.66 ? 85 LYS B C 1 ATOM 3205 O O . LYS B 1 109 ? 21.642 -40.162 -63.473 1.00 128.84 ? 85 LYS B O 1 ATOM 3206 C CB . LYS B 1 109 ? 24.309 -40.040 -64.017 1.00 140.92 ? 85 LYS B CB 1 ATOM 3207 C CG . LYS B 1 109 ? 24.390 -41.555 -63.824 1.00 140.02 ? 85 LYS B CG 1 ATOM 3208 C CD . LYS B 1 109 ? 24.926 -42.257 -65.064 1.00 128.65 ? 85 LYS B CD 1 ATOM 3209 C CE . LYS B 1 109 ? 24.560 -43.737 -65.067 1.00 126.51 ? 85 LYS B CE 1 ATOM 3210 N NZ . LYS B 1 109 ? 24.995 -44.440 -63.830 1.00 126.04 ? 85 LYS B NZ 1 ATOM 3211 N N . LEU B 1 110 ? 21.645 -38.719 -61.752 1.00 127.03 ? 86 LEU B N 1 ATOM 3212 C CA . LEU B 1 110 ? 20.196 -38.789 -61.577 1.00 121.18 ? 86 LEU B CA 1 ATOM 3213 C C . LEU B 1 110 ? 19.507 -37.445 -61.815 1.00 119.45 ? 86 LEU B C 1 ATOM 3214 O O . LEU B 1 110 ? 19.916 -36.417 -61.273 1.00 120.72 ? 86 LEU B O 1 ATOM 3215 C CB . LEU B 1 110 ? 19.839 -39.335 -60.193 1.00 118.05 ? 86 LEU B CB 1 ATOM 3216 C CG . LEU B 1 110 ? 18.352 -39.535 -59.897 1.00 112.55 ? 86 LEU B CG 1 ATOM 3217 C CD1 . LEU B 1 110 ? 17.687 -40.334 -61.004 1.00 111.04 ? 86 LEU B CD1 1 ATOM 3218 C CD2 . LEU B 1 110 ? 18.161 -40.225 -58.554 1.00 110.36 ? 86 LEU B CD2 1 ATOM 3219 N N . THR B 1 111 ? 18.456 -37.467 -62.629 1.00 116.41 ? 87 THR B N 1 ATOM 3220 C CA . THR B 1 111 ? 17.699 -36.264 -62.948 1.00 114.68 ? 87 THR B CA 1 ATOM 3221 C C . THR B 1 111 ? 16.438 -36.184 -62.103 1.00 110.32 ? 87 THR B C 1 ATOM 3222 O O . THR B 1 111 ? 15.495 -36.943 -62.314 1.00 107.49 ? 87 THR B O 1 ATOM 3223 C CB . THR B 1 111 ? 17.296 -36.238 -64.430 1.00 114.25 ? 87 THR B CB 1 ATOM 3224 O OG1 . THR B 1 111 ? 18.465 -36.370 -65.248 1.00 119.13 ? 87 THR B OG1 1 ATOM 3225 C CG2 . THR B 1 111 ? 16.591 -34.937 -64.766 1.00 113.01 ? 87 THR B CG2 1 ATOM 3226 N N . ILE B 1 112 ? 16.420 -35.267 -61.143 1.00 110.67 ? 88 ILE B N 1 ATOM 3227 C CA . ILE B 1 112 ? 15.245 -35.094 -60.300 1.00 107.24 ? 88 ILE B CA 1 ATOM 3228 C C . ILE B 1 112 ? 14.280 -34.094 -60.922 1.00 106.80 ? 88 ILE B C 1 ATOM 3229 O O . ILE B 1 112 ? 14.660 -32.967 -61.239 1.00 109.77 ? 88 ILE B O 1 ATOM 3230 C CB . ILE B 1 112 ? 15.618 -34.640 -58.880 1.00 107.68 ? 88 ILE B CB 1 ATOM 3231 C CG1 . ILE B 1 112 ? 16.554 -35.656 -58.229 1.00 109.22 ? 88 ILE B CG1 1 ATOM 3232 C CG2 . ILE B 1 112 ? 14.371 -34.461 -58.033 1.00 103.58 ? 88 ILE B CG2 1 ATOM 3233 C CD1 . ILE B 1 112 ? 17.007 -35.260 -56.846 1.00 109.88 ? 88 ILE B CD1 1 ATOM 3234 N N . MET B 1 113 ? 13.033 -34.514 -61.098 1.00 103.46 ? 89 MET B N 1 ATOM 3235 C CA . MET B 1 113 ? 12.017 -33.650 -61.683 1.00 102.56 ? 89 MET B CA 1 ATOM 3236 C C . MET B 1 113 ? 10.795 -33.571 -60.767 1.00 98.19 ? 89 MET B C 1 ATOM 3237 O O . MET B 1 113 ? 10.314 -34.587 -60.269 1.00 95.38 ? 89 MET B O 1 ATOM 3238 C CB . MET B 1 113 ? 11.618 -34.164 -63.069 1.00 103.06 ? 89 MET B CB 1 ATOM 3239 C CG . MET B 1 113 ? 11.257 -33.071 -64.066 1.00 104.62 ? 89 MET B CG 1 ATOM 3240 S SD . MET B 1 113 ? 10.898 -33.719 -65.714 1.00 202.66 ? 89 MET B SD 1 ATOM 3241 C CE . MET B 1 113 ? 10.652 -32.205 -66.644 1.00 113.07 ? 89 MET B CE 1 ATOM 3242 N N . THR B 1 114 ? 10.305 -32.358 -60.538 1.00 97.88 ? 90 THR B N 1 ATOM 3243 C CA . THR B 1 114 ? 9.140 -32.156 -59.684 1.00 94.40 ? 90 THR B CA 1 ATOM 3244 C C . THR B 1 114 ? 8.015 -31.461 -60.436 1.00 93.51 ? 90 THR B C 1 ATOM 3245 O O . THR B 1 114 ? 8.208 -30.387 -61.006 1.00 95.12 ? 90 THR B O 1 ATOM 3246 C CB . THR B 1 114 ? 9.479 -31.312 -58.444 1.00 78.30 ? 90 THR B CB 1 ATOM 3247 O OG1 . THR B 1 114 ? 9.556 -29.927 -58.812 1.00 84.66 ? 90 THR B OG1 1 ATOM 3248 C CG2 . THR B 1 114 ? 10.797 -31.752 -57.842 1.00 81.00 ? 90 THR B CG2 1 ATOM 3249 N N . GLY B 1 115 ? 6.841 -32.083 -60.431 1.00 92.03 ? 91 GLY B N 1 ATOM 3250 C CA . GLY B 1 115 ? 5.654 -31.487 -61.015 1.00 91.59 ? 91 GLY B CA 1 ATOM 3251 C C . GLY B 1 115 ? 4.818 -30.822 -59.941 1.00 90.16 ? 91 GLY B C 1 ATOM 3252 O O . GLY B 1 115 ? 5.211 -30.781 -58.776 1.00 89.52 ? 91 GLY B O 1 ATOM 3253 N N . ASP B 1 116 ? 3.661 -30.300 -60.328 1.00 89.82 ? 92 ASP B N 1 ATOM 3254 C CA . ASP B 1 116 ? 2.800 -29.606 -59.382 1.00 89.17 ? 92 ASP B CA 1 ATOM 3255 C C . ASP B 1 116 ? 1.932 -30.583 -58.593 1.00 87.99 ? 92 ASP B C 1 ATOM 3256 O O . ASP B 1 116 ? 2.106 -31.799 -58.684 1.00 87.32 ? 92 ASP B O 1 ATOM 3257 C CB . ASP B 1 116 ? 1.923 -28.592 -60.116 1.00 88.57 ? 92 ASP B CB 1 ATOM 3258 C CG . ASP B 1 116 ? 2.731 -27.617 -60.941 1.00 92.23 ? 92 ASP B CG 1 ATOM 3259 O OD1 . ASP B 1 116 ? 2.255 -27.210 -62.020 1.00 93.14 ? 92 ASP B OD1 1 ATOM 3260 O OD2 . ASP B 1 116 ? 3.845 -27.258 -60.511 1.00 94.65 ? 92 ASP B OD2 1 ATOM 3261 N N . ILE B 1 117 ? 1.005 -30.041 -57.810 1.00 88.35 ? 93 ILE B N 1 ATOM 3262 C CA . ILE B 1 117 ? 0.047 -30.854 -57.072 1.00 87.81 ? 93 ILE B CA 1 ATOM 3263 C C . ILE B 1 117 ? -1.376 -30.351 -57.300 1.00 86.97 ? 93 ILE B C 1 ATOM 3264 O O . ILE B 1 117 ? -1.637 -29.150 -57.234 1.00 87.00 ? 93 ILE B O 1 ATOM 3265 C CB . ILE B 1 117 ? 0.345 -30.865 -55.562 1.00 88.89 ? 93 ILE B CB 1 ATOM 3266 C CG1 . ILE B 1 117 ? 0.575 -29.442 -55.051 1.00 90.80 ? 93 ILE B CG1 1 ATOM 3267 C CG2 . ILE B 1 117 ? 1.557 -31.724 -55.269 1.00 90.92 ? 93 ILE B CG2 1 ATOM 3268 C CD1 . ILE B 1 117 ? 0.785 -29.354 -53.560 1.00 91.11 ? 93 ILE B CD1 1 ATOM 3269 N N . LYS B 1 118 ? -2.289 -31.277 -57.581 1.00 86.09 ? 94 LYS B N 1 ATOM 3270 C CA . LYS B 1 118 ? -3.697 -30.945 -57.788 1.00 84.58 ? 94 LYS B CA 1 ATOM 3271 C C . LYS B 1 118 ? -4.579 -32.021 -57.160 1.00 81.98 ? 94 LYS B C 1 ATOM 3272 O O . LYS B 1 118 ? -4.337 -33.211 -57.347 1.00 82.50 ? 94 LYS B O 1 ATOM 3273 C CB . LYS B 1 118 ? -4.008 -30.817 -59.283 1.00 85.83 ? 94 LYS B CB 1 ATOM 3274 C CG . LYS B 1 118 ? -3.207 -29.743 -60.013 1.00 88.86 ? 94 LYS B CG 1 ATOM 3275 C CD . LYS B 1 118 ? -3.508 -29.740 -61.502 1.00 90.68 ? 94 LYS B CD 1 ATOM 3276 C CE . LYS B 1 118 ? -2.741 -28.641 -62.222 1.00 94.62 ? 94 LYS B CE 1 ATOM 3277 N NZ . LYS B 1 118 ? -3.175 -28.492 -63.641 1.00 96.56 ? 94 LYS B NZ 1 ATOM 3278 N N . GLY B 1 119 ? -5.593 -31.602 -56.409 1.00 79.43 ? 95 GLY B N 1 ATOM 3279 C CA . GLY B 1 119 ? -6.493 -32.540 -55.758 1.00 76.81 ? 95 GLY B CA 1 ATOM 3280 C C . GLY B 1 119 ? -5.865 -33.269 -54.585 1.00 76.65 ? 95 GLY B C 1 ATOM 3281 O O . GLY B 1 119 ? -5.093 -32.689 -53.826 1.00 77.98 ? 95 GLY B O 1 ATOM 3282 N N . ILE B 1 120 ? -6.206 -34.547 -54.440 1.00 75.27 ? 96 ILE B N 1 ATOM 3283 C CA . ILE B 1 120 ? -5.682 -35.379 -53.360 1.00 75.10 ? 96 ILE B CA 1 ATOM 3284 C C . ILE B 1 120 ? -4.217 -35.731 -53.589 1.00 76.01 ? 96 ILE B C 1 ATOM 3285 O O . ILE B 1 120 ? -3.826 -36.108 -54.695 1.00 76.74 ? 96 ILE B O 1 ATOM 3286 C CB . ILE B 1 120 ? -6.486 -36.687 -53.221 1.00 74.62 ? 96 ILE B CB 1 ATOM 3287 C CG1 . ILE B 1 120 ? -7.963 -36.381 -52.973 1.00 73.42 ? 96 ILE B CG1 1 ATOM 3288 C CG2 . ILE B 1 120 ? -5.925 -37.552 -52.104 1.00 75.44 ? 96 ILE B CG2 1 ATOM 3289 C CD1 . ILE B 1 120 ? -8.823 -37.613 -52.820 1.00 73.20 ? 96 ILE B CD1 1 ATOM 3290 N N . MET B 1 121 ? -3.414 -35.602 -52.538 1.00 75.93 ? 97 MET B N 1 ATOM 3291 C CA . MET B 1 121 ? -2.008 -35.972 -52.599 1.00 76.77 ? 97 MET B CA 1 ATOM 3292 C C . MET B 1 121 ? -1.865 -37.452 -52.274 1.00 76.05 ? 97 MET B C 1 ATOM 3293 O O . MET B 1 121 ? -1.684 -37.825 -51.116 1.00 76.53 ? 97 MET B O 1 ATOM 3294 C CB . MET B 1 121 ? -1.194 -35.121 -51.627 1.00 78.13 ? 97 MET B CB 1 ATOM 3295 C CG . MET B 1 121 ? -1.454 -33.625 -51.773 1.00 77.81 ? 97 MET B CG 1 ATOM 3296 S SD . MET B 1 121 ? -0.394 -32.602 -50.736 1.00 118.97 ? 97 MET B SD 1 ATOM 3297 C CE . MET B 1 121 ? -1.160 -31.000 -50.952 1.00 79.02 ? 97 MET B CE 1 ATOM 3298 N N . GLN B 1 122 ? -1.956 -38.286 -53.307 1.00 74.80 ? 98 GLN B N 1 ATOM 3299 C CA . GLN B 1 122 ? -1.933 -39.737 -53.149 1.00 73.80 ? 98 GLN B CA 1 ATOM 3300 C C . GLN B 1 122 ? -0.701 -40.224 -52.410 1.00 75.63 ? 98 GLN B C 1 ATOM 3301 O O . GLN B 1 122 ? 0.417 -39.809 -52.701 1.00 77.21 ? 98 GLN B O 1 ATOM 3302 C CB . GLN B 1 122 ? -2.025 -40.430 -54.507 1.00 73.00 ? 98 GLN B CB 1 ATOM 3303 C CG . GLN B 1 122 ? -3.420 -40.419 -55.105 1.00 70.35 ? 98 GLN B CG 1 ATOM 3304 C CD . GLN B 1 122 ? -4.399 -41.219 -54.284 1.00 68.73 ? 98 GLN B CD 1 ATOM 3305 O OE1 . GLN B 1 122 ? -4.052 -42.261 -53.730 1.00 69.48 ? 98 GLN B OE1 1 ATOM 3306 N NE2 . GLN B 1 122 ? -5.629 -40.735 -54.193 1.00 67.07 ? 98 GLN B NE2 1 ATOM 3307 N N . ALA B 1 123 ? -0.923 -41.105 -51.445 1.00 75.57 ? 99 ALA B N 1 ATOM 3308 C CA . ALA B 1 123 ? 0.156 -41.644 -50.647 1.00 77.24 ? 99 ALA B CA 1 ATOM 3309 C C . ALA B 1 123 ? 1.024 -42.546 -51.500 1.00 78.14 ? 99 ALA B C 1 ATOM 3310 O O . ALA B 1 123 ? 0.582 -43.059 -52.523 1.00 77.13 ? 99 ALA B O 1 ATOM 3311 C CB . ALA B 1 123 ? -0.403 -42.415 -49.475 1.00 77.76 ? 99 ALA B CB 1 ATOM 3312 N N . GLY B 1 124 ? 2.264 -42.730 -51.070 1.00 79.91 ? 100 GLY B N 1 ATOM 3313 C CA . GLY B 1 124 ? 3.162 -43.674 -51.699 1.00 81.90 ? 100 GLY B CA 1 ATOM 3314 C C . GLY B 1 124 ? 3.404 -44.832 -50.755 1.00 83.45 ? 100 GLY B C 1 ATOM 3315 O O . GLY B 1 124 ? 3.566 -44.636 -49.551 1.00 84.44 ? 100 GLY B O 1 ATOM 3316 N N . LYS B 1 125 ? 3.425 -46.042 -51.299 1.00 84.14 ? 101 LYS B N 1 ATOM 3317 C CA . LYS B 1 125 ? 3.563 -47.238 -50.479 1.00 85.11 ? 101 LYS B CA 1 ATOM 3318 C C . LYS B 1 125 ? 4.960 -47.374 -49.887 1.00 88.31 ? 101 LYS B C 1 ATOM 3319 O O . LYS B 1 125 ? 5.136 -48.006 -48.845 1.00 89.51 ? 101 LYS B O 1 ATOM 3320 C CB . LYS B 1 125 ? 3.207 -48.484 -51.286 1.00 84.37 ? 101 LYS B CB 1 ATOM 3321 C CG . LYS B 1 125 ? 1.776 -48.500 -51.800 1.00 81.21 ? 101 LYS B CG 1 ATOM 3322 C CD . LYS B 1 125 ? 0.772 -48.464 -50.663 1.00 79.66 ? 101 LYS B CD 1 ATOM 3323 C CE . LYS B 1 125 ? -0.642 -48.672 -51.180 1.00 77.58 ? 101 LYS B CE 1 ATOM 3324 N NZ . LYS B 1 125 ? -1.619 -48.847 -50.074 1.00 77.11 ? 101 LYS B NZ 1 ATOM 3325 N N . ARG B 1 126 ? 5.950 -46.781 -50.546 1.00 90.03 ? 102 ARG B N 1 ATOM 3326 C CA . ARG B 1 126 ? 7.320 -46.834 -50.047 1.00 93.76 ? 102 ARG B CA 1 ATOM 3327 C C . ARG B 1 126 ? 7.683 -45.575 -49.277 1.00 93.61 ? 102 ARG B C 1 ATOM 3328 O O . ARG B 1 126 ? 6.841 -44.698 -49.076 1.00 91.81 ? 102 ARG B O 1 ATOM 3329 C CB . ARG B 1 126 ? 8.319 -47.070 -51.179 1.00 96.65 ? 102 ARG B CB 1 ATOM 3330 C CG . ARG B 1 126 ? 8.294 -48.483 -51.734 1.00 98.31 ? 102 ARG B CG 1 ATOM 3331 C CD . ARG B 1 126 ? 9.623 -48.860 -52.363 1.00 102.06 ? 102 ARG B CD 1 ATOM 3332 N NE . ARG B 1 126 ? 9.601 -50.220 -52.893 1.00 103.85 ? 102 ARG B NE 1 ATOM 3333 C CZ . ARG B 1 126 ? 10.652 -50.834 -53.424 1.00 107.42 ? 102 ARG B CZ 1 ATOM 3334 N NH1 . ARG B 1 126 ? 11.819 -50.212 -53.494 1.00 109.89 ? 102 ARG B NH1 1 ATOM 3335 N NH2 . ARG B 1 126 ? 10.537 -52.073 -53.882 1.00 108.54 ? 102 ARG B NH2 1 ATOM 3336 N N . SER B 1 127 ? 8.937 -45.492 -48.845 1.00 95.77 ? 103 SER B N 1 ATOM 3337 C CA . SER B 1 127 ? 9.370 -44.396 -47.988 1.00 96.12 ? 103 SER B CA 1 ATOM 3338 C C . SER B 1 127 ? 10.875 -44.157 -48.053 1.00 98.19 ? 103 SER B C 1 ATOM 3339 O O . SER B 1 127 ? 11.611 -44.924 -48.670 1.00 99.91 ? 103 SER B O 1 ATOM 3340 C CB . SER B 1 127 ? 8.956 -44.673 -46.543 1.00 97.08 ? 103 SER B CB 1 ATOM 3341 O OG . SER B 1 127 ? 9.429 -45.937 -46.116 1.00 99.59 ? 103 SER B OG 1 ATOM 3342 N N . LEU B 1 128 ? 11.323 -43.084 -47.407 1.00 97.83 ? 104 LEU B N 1 ATOM 3343 C CA . LEU B 1 128 ? 12.740 -42.747 -47.355 1.00 99.94 ? 104 LEU B CA 1 ATOM 3344 C C . LEU B 1 128 ? 13.357 -43.186 -46.033 1.00 101.56 ? 104 LEU B C 1 ATOM 3345 O O . LEU B 1 128 ? 12.657 -43.341 -45.035 1.00 100.46 ? 104 LEU B O 1 ATOM 3346 C CB . LEU B 1 128 ? 12.933 -41.243 -47.537 1.00 99.51 ? 104 LEU B CB 1 ATOM 3347 C CG . LEU B 1 128 ? 12.246 -40.627 -48.753 1.00 96.42 ? 104 LEU B CG 1 ATOM 3348 C CD1 . LEU B 1 128 ? 12.505 -39.133 -48.819 1.00 96.69 ? 104 LEU B CD1 1 ATOM 3349 C CD2 . LEU B 1 128 ? 12.725 -41.308 -50.018 1.00 97.08 ? 104 LEU B CD2 1 ATOM 3350 N N . ARG B 1 129 ? 14.671 -43.380 -46.035 1.00 104.49 ? 105 ARG B N 1 ATOM 3351 C CA . ARG B 1 129 ? 15.395 -43.798 -44.840 1.00 107.16 ? 105 ARG B CA 1 ATOM 3352 C C . ARG B 1 129 ? 16.810 -43.229 -44.857 1.00 110.50 ? 105 ARG B C 1 ATOM 3353 O O . ARG B 1 129 ? 17.483 -43.263 -45.885 1.00 111.67 ? 105 ARG B O 1 ATOM 3354 C CB . ARG B 1 129 ? 15.424 -45.327 -44.730 1.00 107.85 ? 105 ARG B CB 1 ATOM 3355 C CG . ARG B 1 129 ? 15.732 -46.047 -46.038 1.00 107.89 ? 105 ARG B CG 1 ATOM 3356 C CD . ARG B 1 129 ? 15.552 -47.561 -45.919 1.00 108.22 ? 105 ARG B CD 1 ATOM 3357 N NE . ARG B 1 129 ? 16.634 -48.199 -45.171 1.00 111.85 ? 105 ARG B NE 1 ATOM 3358 C CZ . ARG B 1 129 ? 16.735 -49.509 -44.961 1.00 112.79 ? 105 ARG B CZ 1 ATOM 3359 N NH1 . ARG B 1 129 ? 15.818 -50.337 -45.441 1.00 110.40 ? 105 ARG B NH1 1 ATOM 3360 N NH2 . ARG B 1 129 ? 17.755 -49.994 -44.268 1.00 116.52 ? 105 ARG B NH2 1 ATOM 3361 N N . PRO B 1 130 ? 17.260 -42.689 -43.714 1.00 112.57 ? 106 PRO B N 1 ATOM 3362 C CA . PRO B 1 130 ? 18.595 -42.089 -43.597 1.00 116.35 ? 106 PRO B CA 1 ATOM 3363 C C . PRO B 1 130 ? 19.707 -43.135 -43.584 1.00 119.88 ? 106 PRO B C 1 ATOM 3364 O O . PRO B 1 130 ? 19.563 -44.159 -42.915 1.00 104.17 ? 106 PRO B O 1 ATOM 3365 C CB . PRO B 1 130 ? 18.533 -41.369 -42.248 1.00 117.38 ? 106 PRO B CB 1 ATOM 3366 C CG . PRO B 1 130 ? 17.514 -42.121 -41.469 1.00 115.36 ? 106 PRO B CG 1 ATOM 3367 C CD . PRO B 1 130 ? 16.486 -42.563 -42.466 1.00 111.40 ? 106 PRO B CD 1 ATOM 3368 N N . GLN B 1 155 ? 18.319 -42.449 -66.494 1.00 124.08 ? 131 GLN B N 1 ATOM 3369 C CA . GLN B 1 155 ? 17.201 -42.590 -65.568 1.00 119.22 ? 131 GLN B CA 1 ATOM 3370 C C . GLN B 1 155 ? 16.937 -41.289 -64.814 1.00 118.68 ? 131 GLN B C 1 ATOM 3371 O O . GLN B 1 155 ? 17.867 -40.644 -64.330 1.00 121.50 ? 131 GLN B O 1 ATOM 3372 C CB . GLN B 1 155 ? 17.453 -43.738 -64.583 1.00 117.42 ? 131 GLN B CB 1 ATOM 3373 C CG . GLN B 1 155 ? 17.437 -45.126 -65.216 1.00 117.29 ? 131 GLN B CG 1 ATOM 3374 C CD . GLN B 1 155 ? 17.464 -46.242 -64.187 1.00 115.24 ? 131 GLN B CD 1 ATOM 3375 O OE1 . GLN B 1 155 ? 17.728 -46.009 -63.008 1.00 114.34 ? 131 GLN B OE1 1 ATOM 3376 N NE2 . GLN B 1 155 ? 17.185 -47.463 -64.630 1.00 114.80 ? 131 GLN B NE2 1 ATOM 3377 N N . THR B 1 156 ? 15.667 -40.907 -64.717 1.00 115.29 ? 132 THR B N 1 ATOM 3378 C CA . THR B 1 156 ? 15.292 -39.681 -64.021 1.00 114.17 ? 132 THR B CA 1 ATOM 3379 C C . THR B 1 156 ? 14.446 -39.964 -62.779 1.00 110.26 ? 132 THR B C 1 ATOM 3380 O O . THR B 1 156 ? 13.996 -41.090 -62.569 1.00 108.14 ? 132 THR B O 1 ATOM 3381 C CB . THR B 1 156 ? 14.539 -38.712 -64.951 1.00 113.93 ? 132 THR B CB 1 ATOM 3382 O OG1 . THR B 1 156 ? 14.208 -37.516 -64.234 1.00 112.72 ? 132 THR B OG1 1 ATOM 3383 C CG2 . THR B 1 156 ? 13.265 -39.352 -65.469 1.00 110.61 ? 132 THR B CG2 1 ATOM 3384 N N . PHE B 1 157 ? 14.234 -38.935 -61.963 1.00 109.31 ? 133 PHE B N 1 ATOM 3385 C CA . PHE B 1 157 ? 13.480 -39.073 -60.721 1.00 105.80 ? 133 PHE B CA 1 ATOM 3386 C C . PHE B 1 157 ? 12.328 -38.080 -60.689 1.00 102.39 ? 133 PHE B C 1 ATOM 3387 O O . PHE B 1 157 ? 12.517 -36.893 -60.950 1.00 103.80 ? 133 PHE B O 1 ATOM 3388 C CB . PHE B 1 157 ? 14.399 -38.842 -59.520 1.00 108.06 ? 133 PHE B CB 1 ATOM 3389 C CG . PHE B 1 157 ? 13.872 -39.409 -58.231 1.00 105.81 ? 133 PHE B CG 1 ATOM 3390 C CD1 . PHE B 1 157 ? 13.581 -40.760 -58.125 1.00 104.79 ? 133 PHE B CD1 1 ATOM 3391 C CD2 . PHE B 1 157 ? 13.694 -38.600 -57.119 1.00 104.80 ? 133 PHE B CD2 1 ATOM 3392 C CE1 . PHE B 1 157 ? 13.106 -41.291 -56.942 1.00 102.72 ? 133 PHE B CE1 1 ATOM 3393 C CE2 . PHE B 1 157 ? 13.222 -39.128 -55.931 1.00 102.71 ? 133 PHE B CE2 1 ATOM 3394 C CZ . PHE B 1 157 ? 12.926 -40.474 -55.844 1.00 101.67 ? 133 PHE B CZ 1 ATOM 3395 N N . LEU B 1 158 ? 11.137 -38.568 -60.361 1.00 98.24 ? 134 LEU B N 1 ATOM 3396 C CA . LEU B 1 158 ? 9.933 -37.742 -60.404 1.00 95.06 ? 134 LEU B CA 1 ATOM 3397 C C . LEU B 1 158 ? 9.373 -37.462 -59.008 1.00 91.74 ? 134 LEU B C 1 ATOM 3398 O O . LEU B 1 158 ? 9.240 -38.370 -58.195 1.00 90.48 ? 134 LEU B O 1 ATOM 3399 C CB . LEU B 1 158 ? 8.856 -38.402 -61.278 1.00 93.16 ? 134 LEU B CB 1 ATOM 3400 C CG . LEU B 1 158 ? 8.991 -38.420 -62.808 1.00 95.17 ? 134 LEU B CG 1 ATOM 3401 C CD1 . LEU B 1 158 ? 10.069 -39.377 -63.297 1.00 98.19 ? 134 LEU B CD1 1 ATOM 3402 C CD2 . LEU B 1 158 ? 7.657 -38.769 -63.443 1.00 92.68 ? 134 LEU B CD2 1 ATOM 3403 N N . ILE B 1 159 ? 9.049 -36.202 -58.733 1.00 90.28 ? 135 ILE B N 1 ATOM 3404 C CA . ILE B 1 159 ? 8.409 -35.840 -57.473 1.00 86.83 ? 135 ILE B CA 1 ATOM 3405 C C . ILE B 1 159 ? 7.033 -35.249 -57.744 1.00 83.30 ? 135 ILE B C 1 ATOM 3406 O O . ILE B 1 159 ? 6.903 -34.323 -58.544 1.00 84.06 ? 135 ILE B O 1 ATOM 3407 C CB . ILE B 1 159 ? 9.227 -34.804 -56.691 1.00 88.76 ? 135 ILE B CB 1 ATOM 3408 C CG1 . ILE B 1 159 ? 10.709 -35.172 -56.690 1.00 92.70 ? 135 ILE B CG1 1 ATOM 3409 C CG2 . ILE B 1 159 ? 8.695 -34.670 -55.274 1.00 86.37 ? 135 ILE B CG2 1 ATOM 3410 C CD1 . ILE B 1 159 ? 11.005 -36.482 -56.025 1.00 92.51 ? 135 ILE B CD1 1 ATOM 3411 N N . ASP B 1 160 ? 6.016 -35.783 -57.073 1.00 77.14 ? 136 ASP B N 1 ATOM 3412 C CA . ASP B 1 160 ? 4.642 -35.328 -57.259 1.00 76.44 ? 136 ASP B CA 1 ATOM 3413 C C . ASP B 1 160 ? 4.227 -35.375 -58.723 1.00 80.69 ? 136 ASP B C 1 ATOM 3414 O O . ASP B 1 160 ? 4.406 -36.389 -59.396 1.00 83.14 ? 136 ASP B O 1 ATOM 3415 C CB . ASP B 1 160 ? 4.460 -33.911 -56.710 1.00 74.12 ? 136 ASP B CB 1 ATOM 3416 C CG . ASP B 1 160 ? 4.326 -33.882 -55.207 1.00 70.20 ? 136 ASP B CG 1 ATOM 3417 O OD1 . ASP B 1 160 ? 3.639 -34.764 -54.656 1.00 69.15 ? 136 ASP B OD1 1 ATOM 3418 O OD2 . ASP B 1 160 ? 4.903 -32.971 -54.579 1.00 68.68 ? 136 ASP B OD2 1 ATOM 3419 N N . GLY B 1 161 ? 3.683 -34.266 -59.209 1.00 82.36 ? 137 GLY B N 1 ATOM 3420 C CA . GLY B 1 161 ? 3.223 -34.184 -60.579 1.00 87.27 ? 137 GLY B CA 1 ATOM 3421 C C . GLY B 1 161 ? 2.031 -35.081 -60.834 1.00 89.19 ? 137 GLY B C 1 ATOM 3422 O O . GLY B 1 161 ? 1.434 -35.614 -59.899 1.00 71.16 ? 137 GLY B O 1 ATOM 3423 N N . PRO B 1 162 ? 1.684 -35.260 -62.114 1.00 94.08 ? 138 PRO B N 1 ATOM 3424 C CA . PRO B 1 162 ? 0.530 -36.073 -62.496 1.00 96.48 ? 138 PRO B CA 1 ATOM 3425 C C . PRO B 1 162 ? 0.776 -37.546 -62.229 1.00 96.15 ? 138 PRO B C 1 ATOM 3426 O O . PRO B 1 162 ? 1.924 -37.961 -62.079 1.00 95.61 ? 138 PRO B O 1 ATOM 3427 C CB . PRO B 1 162 ? 0.432 -35.838 -64.003 1.00 85.74 ? 138 PRO B CB 1 ATOM 3428 C CG . PRO B 1 162 ? 1.821 -35.531 -64.421 1.00 86.56 ? 138 PRO B CG 1 ATOM 3429 C CD . PRO B 1 162 ? 2.405 -34.741 -63.289 1.00 98.18 ? 138 PRO B CD 1 ATOM 3430 N N . GLU B 1 163 ? -0.298 -38.322 -62.164 1.00 97.03 ? 139 GLU B N 1 ATOM 3431 C CA . GLU B 1 163 ? -0.176 -39.766 -62.052 1.00 97.73 ? 139 GLU B CA 1 ATOM 3432 C C . GLU B 1 163 ? 0.381 -40.312 -63.356 1.00 102.39 ? 139 GLU B C 1 ATOM 3433 O O . GLU B 1 163 ? -0.056 -39.925 -64.437 1.00 105.76 ? 139 GLU B O 1 ATOM 3434 C CB . GLU B 1 163 ? -1.534 -40.396 -61.758 1.00 98.68 ? 139 GLU B CB 1 ATOM 3435 C CG . GLU B 1 163 ? -2.201 -39.847 -60.514 1.00 94.71 ? 139 GLU B CG 1 ATOM 3436 C CD . GLU B 1 163 ? -1.385 -40.100 -59.267 1.00 90.67 ? 139 GLU B CD 1 ATOM 3437 O OE1 . GLU B 1 163 ? -0.752 -41.173 -59.186 1.00 91.35 ? 139 GLU B OE1 1 ATOM 3438 O OE2 . GLU B 1 163 ? -1.374 -39.228 -58.372 1.00 87.12 ? 139 GLU B OE2 1 ATOM 3439 N N . THR B 1 164 ? 1.358 -41.203 -63.256 1.00 102.90 ? 140 THR B N 1 ATOM 3440 C CA . THR B 1 164 ? 1.959 -41.778 -64.449 1.00 108.35 ? 140 THR B CA 1 ATOM 3441 C C . THR B 1 164 ? 2.075 -43.289 -64.330 1.00 111.10 ? 140 THR B C 1 ATOM 3442 O O . THR B 1 164 ? 1.950 -43.845 -63.240 1.00 107.80 ? 140 THR B O 1 ATOM 3443 C CB . THR B 1 164 ? 3.346 -41.184 -64.724 1.00 107.45 ? 140 THR B CB 1 ATOM 3444 O OG1 . THR B 1 164 ? 3.892 -41.775 -65.911 1.00 112.87 ? 140 THR B OG1 1 ATOM 3445 C CG2 . THR B 1 164 ? 4.275 -41.449 -63.553 1.00 103.16 ? 140 THR B CG2 1 ATOM 3446 N N . ALA B 1 165 ? 2.312 -43.947 -65.457 1.00 117.97 ? 141 ALA B N 1 ATOM 3447 C CA . ALA B 1 165 ? 2.432 -45.396 -65.474 1.00 122.17 ? 141 ALA B CA 1 ATOM 3448 C C . ALA B 1 165 ? 3.885 -45.825 -65.308 1.00 122.88 ? 141 ALA B C 1 ATOM 3449 O O . ALA B 1 165 ? 4.165 -46.953 -64.906 1.00 124.39 ? 141 ALA B O 1 ATOM 3450 C CB . ALA B 1 165 ? 1.853 -45.958 -66.756 1.00 129.62 ? 141 ALA B CB 1 ATOM 3451 N N . GLU B 1 166 ? 4.805 -44.920 -65.625 1.00 122.22 ? 142 GLU B N 1 ATOM 3452 C CA . GLU B 1 166 ? 6.228 -45.202 -65.483 1.00 122.96 ? 142 GLU B CA 1 ATOM 3453 C C . GLU B 1 166 ? 6.609 -45.265 -64.012 1.00 117.59 ? 142 GLU B C 1 ATOM 3454 O O . GLU B 1 166 ? 7.500 -46.021 -63.621 1.00 118.77 ? 142 GLU B O 1 ATOM 3455 C CB . GLU B 1 166 ? 7.064 -44.140 -66.199 1.00 123.83 ? 142 GLU B CB 1 ATOM 3456 C CG . GLU B 1 166 ? 6.814 -42.719 -65.731 1.00 118.42 ? 142 GLU B CG 1 ATOM 3457 C CD . GLU B 1 166 ? 7.395 -41.677 -66.664 1.00 120.69 ? 142 GLU B CD 1 ATOM 3458 O OE1 . GLU B 1 166 ? 8.522 -41.881 -67.155 1.00 124.28 ? 142 GLU B OE1 1 ATOM 3459 O OE2 . GLU B 1 166 ? 6.722 -40.653 -66.905 1.00 119.42 ? 142 GLU B OE2 1 ATOM 3460 N N . CYS B 1 167 ? 5.919 -44.468 -63.203 1.00 112.13 ? 143 CYS B N 1 ATOM 3461 C CA . CYS B 1 167 ? 6.191 -44.385 -61.778 1.00 106.64 ? 143 CYS B CA 1 ATOM 3462 C C . CYS B 1 167 ? 4.884 -44.400 -61.001 1.00 103.42 ? 143 CYS B C 1 ATOM 3463 O O . CYS B 1 167 ? 4.358 -43.351 -60.640 1.00 99.79 ? 143 CYS B O 1 ATOM 3464 C CB . CYS B 1 167 ? 6.966 -43.108 -61.463 1.00 103.09 ? 143 CYS B CB 1 ATOM 3465 S SG . CYS B 1 167 ? 7.340 -42.885 -59.721 1.00 117.10 ? 143 CYS B SG 1 ATOM 3466 N N . PRO B 1 168 ? 4.353 -45.600 -60.740 1.00 105.43 ? 144 PRO B N 1 ATOM 3467 C CA . PRO B 1 168 ? 3.079 -45.737 -60.030 1.00 104.12 ? 144 PRO B CA 1 ATOM 3468 C C . PRO B 1 168 ? 3.222 -45.318 -58.575 1.00 99.74 ? 144 PRO B C 1 ATOM 3469 O O . PRO B 1 168 ? 4.340 -45.281 -58.067 1.00 98.34 ? 144 PRO B O 1 ATOM 3470 C CB . PRO B 1 168 ? 2.800 -47.238 -60.114 1.00 108.05 ? 144 PRO B CB 1 ATOM 3471 C CG . PRO B 1 168 ? 4.148 -47.857 -60.203 1.00 109.92 ? 144 PRO B CG 1 ATOM 3472 C CD . PRO B 1 168 ? 4.971 -46.907 -61.024 1.00 109.86 ? 144 PRO B CD 1 ATOM 3473 N N . ASN B 1 169 ? 2.109 -45.013 -57.916 1.00 98.59 ? 145 ASN B N 1 ATOM 3474 C CA . ASN B 1 169 ? 2.145 -44.591 -56.519 1.00 95.23 ? 145 ASN B CA 1 ATOM 3475 C C . ASN B 1 169 ? 2.563 -45.715 -55.574 1.00 96.23 ? 145 ASN B C 1 ATOM 3476 O O . ASN B 1 169 ? 2.997 -45.465 -54.453 1.00 92.53 ? 145 ASN B O 1 ATOM 3477 C CB . ASN B 1 169 ? 0.794 -44.009 -56.099 1.00 94.34 ? 145 ASN B CB 1 ATOM 3478 C CG . ASN B 1 169 ? 0.370 -42.842 -56.962 1.00 94.90 ? 145 ASN B CG 1 ATOM 3479 O OD1 . ASN B 1 169 ? 1.185 -42.000 -57.332 1.00 94.07 ? 145 ASN B OD1 1 ATOM 3480 N ND2 . ASN B 1 169 ? -0.913 -42.790 -57.296 1.00 97.00 ? 145 ASN B ND2 1 ATOM 3481 N N . THR B 1 170 ? 2.432 -46.952 -56.040 1.00 101.97 ? 146 THR B N 1 ATOM 3482 C CA . THR B 1 170 ? 2.833 -48.118 -55.265 1.00 104.96 ? 146 THR B CA 1 ATOM 3483 C C . THR B 1 170 ? 4.350 -48.145 -55.081 1.00 106.47 ? 146 THR B C 1 ATOM 3484 O O . THR B 1 170 ? 4.862 -48.698 -54.106 1.00 106.27 ? 146 THR B O 1 ATOM 3485 C CB . THR B 1 170 ? 2.367 -49.420 -55.944 1.00 109.80 ? 146 THR B CB 1 ATOM 3486 O OG1 . THR B 1 170 ? 1.023 -49.260 -56.413 1.00 110.52 ? 146 THR B OG1 1 ATOM 3487 C CG2 . THR B 1 170 ? 2.425 -50.591 -54.974 1.00 111.47 ? 146 THR B CG2 1 ATOM 3488 N N . ASN B 1 171 ? 5.063 -47.538 -56.024 1.00 108.92 ? 147 ASN B N 1 ATOM 3489 C CA . ASN B 1 171 ? 6.517 -47.452 -55.954 1.00 111.06 ? 147 ASN B CA 1 ATOM 3490 C C . ASN B 1 171 ? 6.949 -46.018 -55.673 1.00 108.00 ? 147 ASN B C 1 ATOM 3491 O O . ASN B 1 171 ? 7.987 -45.570 -56.153 1.00 108.92 ? 147 ASN B O 1 ATOM 3492 C CB . ASN B 1 171 ? 7.144 -47.951 -57.264 1.00 116.57 ? 147 ASN B CB 1 ATOM 3493 C CG . ASN B 1 171 ? 8.598 -48.374 -57.102 1.00 119.25 ? 147 ASN B CG 1 ATOM 3494 O OD1 . ASN B 1 171 ? 9.515 -47.639 -57.464 1.00 119.09 ? 147 ASN B OD1 1 ATOM 3495 N ND2 . ASN B 1 171 ? 8.811 -49.570 -56.568 1.00 122.19 ? 147 ASN B ND2 1 ATOM 3496 N N . ARG B 1 172 ? 6.140 -45.299 -54.900 1.00 105.28 ? 148 ARG B N 1 ATOM 3497 C CA . ARG B 1 172 ? 6.468 -43.929 -54.518 1.00 102.71 ? 148 ARG B CA 1 ATOM 3498 C C . ARG B 1 172 ? 6.744 -43.823 -53.024 1.00 101.98 ? 148 ARG B C 1 ATOM 3499 O O . ARG B 1 172 ? 6.239 -44.617 -52.231 1.00 102.61 ? 148 ARG B O 1 ATOM 3500 C CB . ARG B 1 172 ? 5.349 -42.959 -54.912 1.00 100.71 ? 148 ARG B CB 1 ATOM 3501 C CG . ARG B 1 172 ? 5.169 -42.768 -56.413 1.00 103.61 ? 148 ARG B CG 1 ATOM 3502 C CD . ARG B 1 172 ? 5.700 -41.429 -56.899 1.00 102.76 ? 148 ARG B CD 1 ATOM 3503 N NE . ARG B 1 172 ? 5.247 -41.128 -58.255 1.00 105.94 ? 148 ARG B NE 1 ATOM 3504 C CZ . ARG B 1 172 ? 5.429 -39.962 -58.867 1.00 106.11 ? 148 ARG B CZ 1 ATOM 3505 N NH1 . ARG B 1 172 ? 6.054 -38.972 -58.247 1.00 103.44 ? 148 ARG B NH1 1 ATOM 3506 N NH2 . ARG B 1 172 ? 4.977 -39.781 -60.100 1.00 109.26 ? 148 ARG B NH2 1 ATOM 3507 N N . ALA B 1 173 ? 7.555 -42.841 -52.646 1.00 101.35 ? 149 ALA B N 1 ATOM 3508 C CA . ALA B 1 173 ? 7.837 -42.590 -51.237 1.00 98.15 ? 149 ALA B CA 1 ATOM 3509 C C . ALA B 1 173 ? 6.946 -41.475 -50.710 1.00 91.56 ? 149 ALA B C 1 ATOM 3510 O O . ALA B 1 173 ? 6.632 -40.529 -51.430 1.00 90.58 ? 149 ALA B O 1 ATOM 3511 C CB . ALA B 1 173 ? 9.297 -42.243 -51.034 1.00 99.25 ? 149 ALA B CB 1 ATOM 3512 N N . TRP B 1 174 ? 6.555 -41.587 -49.447 1.00 85.57 ? 150 TRP B N 1 ATOM 3513 C CA . TRP B 1 174 ? 5.580 -40.675 -48.875 1.00 79.51 ? 150 TRP B CA 1 ATOM 3514 C C . TRP B 1 174 ? 5.548 -40.805 -47.361 1.00 77.10 ? 150 TRP B C 1 ATOM 3515 O O . TRP B 1 174 ? 5.708 -41.902 -46.828 1.00 78.51 ? 150 TRP B O 1 ATOM 3516 C CB . TRP B 1 174 ? 4.213 -40.982 -49.469 1.00 79.27 ? 150 TRP B CB 1 ATOM 3517 C CG . TRP B 1 174 ? 3.077 -40.313 -48.807 1.00 77.70 ? 150 TRP B CG 1 ATOM 3518 C CD1 . TRP B 1 174 ? 2.585 -39.076 -49.081 1.00 76.92 ? 150 TRP B CD1 1 ATOM 3519 C CD2 . TRP B 1 174 ? 2.260 -40.853 -47.767 1.00 78.09 ? 150 TRP B CD2 1 ATOM 3520 N NE1 . TRP B 1 174 ? 1.513 -38.806 -48.266 1.00 76.70 ? 150 TRP B NE1 1 ATOM 3521 C CE2 . TRP B 1 174 ? 1.294 -39.885 -47.449 1.00 77.27 ? 150 TRP B CE2 1 ATOM 3522 C CE3 . TRP B 1 174 ? 2.254 -42.064 -47.070 1.00 79.69 ? 150 TRP B CE3 1 ATOM 3523 C CZ2 . TRP B 1 174 ? 0.330 -40.088 -46.463 1.00 77.33 ? 150 TRP B CZ2 1 ATOM 3524 C CZ3 . TRP B 1 174 ? 1.298 -42.265 -46.091 1.00 79.88 ? 150 TRP B CZ3 1 ATOM 3525 C CH2 . TRP B 1 174 ? 0.350 -41.284 -45.797 1.00 78.62 ? 150 TRP B CH2 1 ATOM 3526 N N . ASN B 1 175 ? 5.343 -39.679 -46.682 1.00 73.82 ? 151 ASN B N 1 ATOM 3527 C CA . ASN B 1 175 ? 5.360 -39.618 -45.221 1.00 72.26 ? 151 ASN B CA 1 ATOM 3528 C C . ASN B 1 175 ? 6.678 -40.121 -44.655 1.00 71.76 ? 151 ASN B C 1 ATOM 3529 O O . ASN B 1 175 ? 6.712 -41.075 -43.882 1.00 72.73 ? 151 ASN B O 1 ATOM 3530 C CB . ASN B 1 175 ? 4.172 -40.376 -44.616 1.00 73.40 ? 151 ASN B CB 1 ATOM 3531 C CG . ASN B 1 175 ? 3.949 -40.041 -43.154 1.00 73.05 ? 151 ASN B CG 1 ATOM 3532 O OD1 . ASN B 1 175 ? 4.333 -38.969 -42.684 1.00 72.01 ? 151 ASN B OD1 1 ATOM 3533 N ND2 . ASN B 1 175 ? 3.320 -40.956 -42.427 1.00 74.27 ? 151 ASN B ND2 1 ATOM 3534 N N . SER B 1 176 ? 7.761 -39.467 -45.055 1.00 70.91 ? 152 SER B N 1 ATOM 3535 C CA . SER B 1 176 ? 9.093 -39.850 -44.616 1.00 72.15 ? 152 SER B CA 1 ATOM 3536 C C . SER B 1 176 ? 9.806 -38.677 -43.972 1.00 71.11 ? 152 SER B C 1 ATOM 3537 O O . SER B 1 176 ? 10.961 -38.789 -43.571 1.00 72.45 ? 152 SER B O 1 ATOM 3538 C CB . SER B 1 176 ? 9.915 -40.360 -45.796 1.00 74.10 ? 152 SER B CB 1 ATOM 3539 O OG . SER B 1 176 ? 9.342 -41.527 -46.349 1.00 75.76 ? 152 SER B OG 1 ATOM 3540 N N . LEU B 1 177 ? 9.115 -37.548 -43.879 1.00 69.66 ? 153 LEU B N 1 ATOM 3541 C CA . LEU B 1 177 ? 9.716 -36.355 -43.303 1.00 69.86 ? 153 LEU B CA 1 ATOM 3542 C C . LEU B 1 177 ? 8.979 -35.864 -42.067 1.00 69.62 ? 153 LEU B C 1 ATOM 3543 O O . LEU B 1 177 ? 7.748 -35.869 -42.019 1.00 68.15 ? 153 LEU B O 1 ATOM 3544 C CB . LEU B 1 177 ? 9.812 -35.237 -44.341 1.00 69.73 ? 153 LEU B CB 1 ATOM 3545 C CG . LEU B 1 177 ? 10.915 -35.396 -45.386 1.00 71.15 ? 153 LEU B CG 1 ATOM 3546 C CD1 . LEU B 1 177 ? 11.095 -34.111 -46.178 1.00 71.47 ? 153 LEU B CD1 1 ATOM 3547 C CD2 . LEU B 1 177 ? 12.215 -35.808 -44.720 1.00 72.90 ? 153 LEU B CD2 1 ATOM 3548 N N . GLU B 1 178 ? 9.751 -35.449 -41.069 1.00 71.63 ? 154 GLU B N 1 ATOM 3549 C CA . GLU B 1 178 ? 9.201 -34.864 -39.856 1.00 73.29 ? 154 GLU B CA 1 ATOM 3550 C C . GLU B 1 178 ? 9.983 -33.611 -39.472 1.00 76.30 ? 154 GLU B C 1 ATOM 3551 O O . GLU B 1 178 ? 11.130 -33.434 -39.878 1.00 77.72 ? 154 GLU B O 1 ATOM 3552 C CB . GLU B 1 178 ? 9.201 -35.879 -38.707 1.00 74.17 ? 154 GLU B CB 1 ATOM 3553 C CG . GLU B 1 178 ? 10.577 -36.392 -38.299 1.00 75.71 ? 154 GLU B CG 1 ATOM 3554 C CD . GLU B 1 178 ? 10.510 -37.381 -37.147 1.00 77.41 ? 154 GLU B CD 1 ATOM 3555 O OE1 . GLU B 1 178 ? 9.389 -37.698 -36.695 1.00 77.02 ? 154 GLU B OE1 1 ATOM 3556 O OE2 . GLU B 1 178 ? 11.577 -37.842 -36.692 1.00 79.68 ? 154 GLU B OE2 1 ATOM 3557 N N . VAL B 1 179 ? 9.349 -32.741 -38.694 1.00 78.28 ? 155 VAL B N 1 ATOM 3558 C CA . VAL B 1 179 ? 9.964 -31.491 -38.264 1.00 81.30 ? 155 VAL B CA 1 ATOM 3559 C C . VAL B 1 179 ? 10.742 -31.702 -36.972 1.00 85.73 ? 155 VAL B C 1 ATOM 3560 O O . VAL B 1 179 ? 10.282 -32.404 -36.074 1.00 86.84 ? 155 VAL B O 1 ATOM 3561 C CB . VAL B 1 179 ? 8.894 -30.398 -38.063 1.00 81.29 ? 155 VAL B CB 1 ATOM 3562 C CG1 . VAL B 1 179 ? 9.477 -29.170 -37.389 1.00 83.74 ? 155 VAL B CG1 1 ATOM 3563 C CG2 . VAL B 1 179 ? 8.269 -30.028 -39.394 1.00 79.70 ? 155 VAL B CG2 1 ATOM 3564 N N . GLU B 1 180 ? 11.932 -31.116 -36.889 1.00 88.81 ? 156 GLU B N 1 ATOM 3565 C CA . GLU B 1 180 ? 12.681 -31.130 -35.643 1.00 93.36 ? 156 GLU B CA 1 ATOM 3566 C C . GLU B 1 180 ? 12.412 -29.833 -34.894 1.00 97.66 ? 156 GLU B C 1 ATOM 3567 O O . GLU B 1 180 ? 11.874 -29.846 -33.788 1.00 99.44 ? 156 GLU B O 1 ATOM 3568 C CB . GLU B 1 180 ? 14.182 -31.294 -35.900 1.00 94.15 ? 156 GLU B CB 1 ATOM 3569 C CG . GLU B 1 180 ? 15.022 -31.522 -34.639 1.00 96.94 ? 156 GLU B CG 1 ATOM 3570 C CD . GLU B 1 180 ? 14.994 -32.965 -34.153 1.00 96.48 ? 156 GLU B CD 1 ATOM 3571 O OE1 . GLU B 1 180 ? 14.092 -33.323 -33.368 1.00 96.18 ? 156 GLU B OE1 1 ATOM 3572 O OE2 . GLU B 1 180 ? 15.885 -33.743 -34.552 1.00 97.01 ? 156 GLU B OE2 1 ATOM 3573 N N . ASP B 1 181 ? 12.772 -28.712 -35.513 1.00 100.55 ? 157 ASP B N 1 ATOM 3574 C CA . ASP B 1 181 ? 12.650 -27.413 -34.861 1.00 105.85 ? 157 ASP B CA 1 ATOM 3575 C C . ASP B 1 181 ? 12.040 -26.340 -35.751 1.00 106.72 ? 157 ASP B C 1 ATOM 3576 O O . ASP B 1 181 ? 11.948 -26.496 -36.966 1.00 104.00 ? 157 ASP B O 1 ATOM 3577 C CB . ASP B 1 181 ? 14.011 -26.945 -34.349 1.00 111.02 ? 157 ASP B CB 1 ATOM 3578 C CG . ASP B 1 181 ? 14.474 -27.729 -33.143 1.00 114.56 ? 157 ASP B CG 1 ATOM 3579 O OD1 . ASP B 1 181 ? 13.627 -28.036 -32.278 1.00 115.27 ? 157 ASP B OD1 1 ATOM 3580 O OD2 . ASP B 1 181 ? 15.681 -28.038 -33.062 1.00 117.21 ? 157 ASP B OD2 1 ATOM 3581 N N . TYR B 1 182 ? 11.638 -25.240 -35.126 1.00 111.30 ? 158 TYR B N 1 ATOM 3582 C CA . TYR B 1 182 ? 10.957 -24.157 -35.820 1.00 113.29 ? 158 TYR B CA 1 ATOM 3583 C C . TYR B 1 182 ? 11.884 -22.972 -36.035 1.00 115.20 ? 158 TYR B C 1 ATOM 3584 O O . TYR B 1 182 ? 12.636 -22.593 -35.140 1.00 118.86 ? 158 TYR B O 1 ATOM 3585 C CB . TYR B 1 182 ? 9.744 -23.697 -35.009 1.00 117.58 ? 158 TYR B CB 1 ATOM 3586 C CG . TYR B 1 182 ? 8.627 -24.712 -34.915 1.00 117.31 ? 158 TYR B CG 1 ATOM 3587 C CD1 . TYR B 1 182 ? 7.396 -24.468 -35.503 1.00 117.07 ? 158 TYR B CD1 1 ATOM 3588 C CD2 . TYR B 1 182 ? 8.800 -25.908 -34.233 1.00 117.61 ? 158 TYR B CD2 1 ATOM 3589 C CE1 . TYR B 1 182 ? 6.370 -25.390 -35.423 1.00 116.12 ? 158 TYR B CE1 1 ATOM 3590 C CE2 . TYR B 1 182 ? 7.780 -26.836 -34.147 1.00 116.70 ? 158 TYR B CE2 1 ATOM 3591 C CZ . TYR B 1 182 ? 6.568 -26.572 -34.744 1.00 116.16 ? 158 TYR B CZ 1 ATOM 3592 O OH . TYR B 1 182 ? 5.550 -27.494 -34.658 1.00 115.82 ? 158 TYR B OH 1 ATOM 3593 N N . GLY B 1 183 ? 11.830 -22.388 -37.226 1.00 113.22 ? 159 GLY B N 1 ATOM 3594 C CA . GLY B 1 183 ? 12.508 -21.129 -37.473 1.00 115.81 ? 159 GLY B CA 1 ATOM 3595 C C . GLY B 1 183 ? 11.605 -20.007 -37.003 1.00 117.70 ? 159 GLY B C 1 ATOM 3596 O O . GLY B 1 183 ? 10.491 -20.260 -36.550 1.00 116.41 ? 159 GLY B O 1 ATOM 3597 N N . PHE B 1 184 ? 12.075 -18.771 -37.112 1.00 121.05 ? 160 PHE B N 1 ATOM 3598 C CA . PHE B 1 184 ? 11.318 -17.630 -36.611 1.00 124.09 ? 160 PHE B CA 1 ATOM 3599 C C . PHE B 1 184 ? 11.237 -16.518 -37.653 1.00 126.16 ? 160 PHE B C 1 ATOM 3600 O O . PHE B 1 184 ? 11.523 -16.738 -38.829 1.00 123.89 ? 160 PHE B O 1 ATOM 3601 C CB . PHE B 1 184 ? 11.950 -17.103 -35.320 1.00 128.90 ? 160 PHE B CB 1 ATOM 3602 C CG . PHE B 1 184 ? 11.973 -18.107 -34.197 1.00 127.41 ? 160 PHE B CG 1 ATOM 3603 C CD1 . PHE B 1 184 ? 13.129 -18.313 -33.460 1.00 129.84 ? 160 PHE B CD1 1 ATOM 3604 C CD2 . PHE B 1 184 ? 10.837 -18.829 -33.866 1.00 124.23 ? 160 PHE B CD2 1 ATOM 3605 C CE1 . PHE B 1 184 ? 13.155 -19.230 -32.424 1.00 129.13 ? 160 PHE B CE1 1 ATOM 3606 C CE2 . PHE B 1 184 ? 10.858 -19.747 -32.830 1.00 123.50 ? 160 PHE B CE2 1 ATOM 3607 C CZ . PHE B 1 184 ? 12.017 -19.946 -32.109 1.00 125.98 ? 160 PHE B CZ 1 ATOM 3608 N N . GLY B 1 185 ? 10.847 -15.324 -37.215 1.00 130.97 ? 161 GLY B N 1 ATOM 3609 C CA . GLY B 1 185 ? 10.733 -14.187 -38.111 1.00 134.42 ? 161 GLY B CA 1 ATOM 3610 C C . GLY B 1 185 ? 9.361 -13.547 -38.060 1.00 136.15 ? 161 GLY B C 1 ATOM 3611 O O . GLY B 1 185 ? 8.486 -13.997 -37.322 1.00 134.79 ? 161 GLY B O 1 ATOM 3612 N N . THR B 1 188 ? 8.432 -13.926 -42.158 1.00 118.18 ? 164 THR B N 1 ATOM 3613 C CA . THR B 1 188 ? 8.171 -15.324 -42.478 1.00 112.10 ? 164 THR B CA 1 ATOM 3614 C C . THR B 1 188 ? 8.682 -16.250 -41.382 1.00 109.94 ? 164 THR B C 1 ATOM 3615 O O . THR B 1 188 ? 9.611 -15.910 -40.652 1.00 112.89 ? 164 THR B O 1 ATOM 3616 C CB . THR B 1 188 ? 8.818 -15.723 -43.814 1.00 110.10 ? 164 THR B CB 1 ATOM 3617 O OG1 . THR B 1 188 ? 10.226 -15.460 -43.762 1.00 112.29 ? 164 THR B OG1 1 ATOM 3618 C CG2 . THR B 1 188 ? 8.204 -14.929 -44.954 1.00 112.51 ? 164 THR B CG2 1 ATOM 3619 N N . THR B 1 189 ? 8.069 -17.422 -41.271 1.00 105.63 ? 165 THR B N 1 ATOM 3620 C CA . THR B 1 189 ? 8.487 -18.400 -40.276 1.00 103.75 ? 165 THR B CA 1 ATOM 3621 C C . THR B 1 189 ? 8.802 -19.748 -40.918 1.00 98.58 ? 165 THR B C 1 ATOM 3622 O O . THR B 1 189 ? 7.934 -20.388 -41.507 1.00 95.58 ? 165 THR B O 1 ATOM 3623 C CB . THR B 1 189 ? 7.434 -18.567 -39.174 1.00 104.75 ? 165 THR B CB 1 ATOM 3624 O OG1 . THR B 1 189 ? 7.337 -17.350 -38.424 1.00 110.00 ? 165 THR B OG1 1 ATOM 3625 C CG2 . THR B 1 189 ? 7.825 -19.692 -38.237 1.00 103.16 ? 165 THR B CG2 1 ATOM 3626 N N . ASN B 1 190 ? 10.056 -20.166 -40.804 1.00 97.90 ? 166 ASN B N 1 ATOM 3627 C CA . ASN B 1 190 ? 10.508 -21.403 -41.421 1.00 93.73 ? 166 ASN B CA 1 ATOM 3628 C C . ASN B 1 190 ? 10.483 -22.546 -40.413 1.00 91.30 ? 166 ASN B C 1 ATOM 3629 O O . ASN B 1 190 ? 10.287 -22.315 -39.223 1.00 92.61 ? 166 ASN B O 1 ATOM 3630 C CB . ASN B 1 190 ? 11.914 -21.211 -41.993 1.00 94.91 ? 166 ASN B CB 1 ATOM 3631 C CG . ASN B 1 190 ? 12.008 -20.004 -42.914 1.00 97.38 ? 166 ASN B CG 1 ATOM 3632 O OD1 . ASN B 1 190 ? 11.828 -20.119 -44.124 1.00 96.34 ? 166 ASN B OD1 1 ATOM 3633 N ND2 . ASN B 1 190 ? 12.285 -18.839 -42.341 1.00 101.28 ? 166 ASN B ND2 1 ATOM 3634 N N . ILE B 1 191 ? 10.657 -23.777 -40.891 1.00 88.44 ? 167 ILE B N 1 ATOM 3635 C CA . ILE B 1 191 ? 10.725 -24.936 -40.000 1.00 87.25 ? 167 ILE B CA 1 ATOM 3636 C C . ILE B 1 191 ? 11.683 -26.012 -40.487 1.00 86.46 ? 167 ILE B C 1 ATOM 3637 O O . ILE B 1 191 ? 11.739 -26.316 -41.679 1.00 84.83 ? 167 ILE B O 1 ATOM 3638 C CB . ILE B 1 191 ? 9.349 -25.582 -39.767 1.00 84.81 ? 167 ILE B CB 1 ATOM 3639 C CG1 . ILE B 1 191 ? 8.513 -25.545 -41.039 1.00 83.08 ? 167 ILE B CG1 1 ATOM 3640 C CG2 . ILE B 1 191 ? 8.609 -24.882 -38.653 1.00 86.96 ? 167 ILE B CG2 1 ATOM 3641 C CD1 . ILE B 1 191 ? 7.053 -25.835 -40.796 1.00 81.90 ? 167 ILE B CD1 1 ATOM 3642 N N . TRP B 1 192 ? 12.425 -26.586 -39.545 1.00 88.40 ? 168 TRP B N 1 ATOM 3643 C CA . TRP B 1 192 ? 13.367 -27.656 -39.840 1.00 88.83 ? 168 TRP B CA 1 ATOM 3644 C C . TRP B 1 192 ? 12.646 -28.924 -40.250 1.00 87.12 ? 168 TRP B C 1 ATOM 3645 O O . TRP B 1 192 ? 11.512 -29.159 -39.848 1.00 85.61 ? 168 TRP B O 1 ATOM 3646 C CB . TRP B 1 192 ? 14.227 -27.962 -38.619 1.00 90.94 ? 168 TRP B CB 1 ATOM 3647 C CG . TRP B 1 192 ? 15.340 -27.003 -38.414 1.00 94.37 ? 168 TRP B CG 1 ATOM 3648 C CD1 . TRP B 1 192 ? 15.367 -25.689 -38.769 1.00 96.17 ? 168 TRP B CD1 1 ATOM 3649 C CD2 . TRP B 1 192 ? 16.609 -27.288 -37.818 1.00 97.13 ? 168 TRP B CD2 1 ATOM 3650 N NE1 . TRP B 1 192 ? 16.573 -25.134 -38.421 1.00 100.18 ? 168 TRP B NE1 1 ATOM 3651 C CE2 . TRP B 1 192 ? 17.353 -26.097 -37.836 1.00 100.87 ? 168 TRP B CE2 1 ATOM 3652 C CE3 . TRP B 1 192 ? 17.185 -28.436 -37.268 1.00 97.43 ? 168 TRP B CE3 1 ATOM 3653 C CZ2 . TRP B 1 192 ? 18.646 -26.021 -37.326 1.00 105.00 ? 168 TRP B CZ2 1 ATOM 3654 C CZ3 . TRP B 1 192 ? 18.464 -28.359 -36.764 1.00 101.50 ? 168 TRP B CZ3 1 ATOM 3655 C CH2 . TRP B 1 192 ? 19.182 -27.162 -36.794 1.00 105.28 ? 168 TRP B CH2 1 ATOM 3656 N N . LEU B 1 193 ? 13.311 -29.739 -41.060 1.00 88.01 ? 169 LEU B N 1 ATOM 3657 C CA . LEU B 1 193 ? 12.802 -31.066 -41.379 1.00 87.13 ? 169 LEU B CA 1 ATOM 3658 C C . LEU B 1 193 ? 13.920 -32.101 -41.408 1.00 89.92 ? 169 LEU B C 1 ATOM 3659 O O . LEU B 1 193 ? 14.982 -31.861 -41.980 1.00 92.04 ? 169 LEU B O 1 ATOM 3660 C CB . LEU B 1 193 ? 12.045 -31.065 -42.707 1.00 84.37 ? 169 LEU B CB 1 ATOM 3661 C CG . LEU B 1 193 ? 10.598 -30.573 -42.655 1.00 82.07 ? 169 LEU B CG 1 ATOM 3662 C CD1 . LEU B 1 193 ? 10.506 -29.079 -42.908 1.00 82.57 ? 169 LEU B CD1 1 ATOM 3663 C CD2 . LEU B 1 193 ? 9.749 -31.348 -43.645 1.00 80.13 ? 169 LEU B CD2 1 ATOM 3664 N N . LYS B 1 194 ? 13.674 -33.244 -40.775 1.00 91.03 ? 170 LYS B N 1 ATOM 3665 C CA . LYS B 1 194 ? 14.613 -34.358 -40.800 1.00 94.38 ? 170 LYS B CA 1 ATOM 3666 C C . LYS B 1 194 ? 13.879 -35.634 -41.186 1.00 94.96 ? 170 LYS B C 1 ATOM 3667 O O . LYS B 1 194 ? 12.651 -35.649 -41.267 1.00 93.09 ? 170 LYS B O 1 ATOM 3668 C CB . LYS B 1 194 ? 15.273 -34.539 -39.437 1.00 97.29 ? 170 LYS B CB 1 ATOM 3669 C CG . LYS B 1 194 ? 14.321 -35.032 -38.367 1.00 97.36 ? 170 LYS B CG 1 ATOM 3670 C CD . LYS B 1 194 ? 15.068 -35.469 -37.122 1.00 100.58 ? 170 LYS B CD 1 ATOM 3671 C CE . LYS B 1 194 ? 14.114 -35.991 -36.063 1.00 100.12 ? 170 LYS B CE 1 ATOM 3672 N NZ . LYS B 1 194 ? 14.824 -36.298 -34.794 1.00 103.24 ? 170 LYS B NZ 1 ATOM 3673 N N . LEU B 1 195 ? 14.630 -36.706 -41.415 1.00 98.03 ? 171 LEU B N 1 ATOM 3674 C CA . LEU B 1 195 ? 14.042 -37.979 -41.824 1.00 98.74 ? 171 LEU B CA 1 ATOM 3675 C C . LEU B 1 195 ? 13.434 -38.740 -40.649 1.00 99.27 ? 171 LEU B C 1 ATOM 3676 O O . LEU B 1 195 ? 13.902 -38.634 -39.516 1.00 100.38 ? 171 LEU B O 1 ATOM 3677 C CB . LEU B 1 195 ? 15.077 -38.853 -42.541 1.00 101.42 ? 171 LEU B CB 1 ATOM 3678 C CG . LEU B 1 195 ? 15.516 -38.429 -43.945 1.00 101.17 ? 171 LEU B CG 1 ATOM 3679 C CD1 . LEU B 1 195 ? 16.630 -37.391 -43.892 1.00 102.36 ? 171 LEU B CD1 1 ATOM 3680 C CD2 . LEU B 1 195 ? 15.937 -39.636 -44.776 1.00 103.11 ? 171 LEU B CD2 1 ATOM 3681 N N . LYS B 1 196 ? 12.384 -39.505 -40.929 1.00 99.32 ? 172 LYS B N 1 ATOM 3682 C CA . LYS B 1 196 ? 11.740 -40.322 -39.909 1.00 101.36 ? 172 LYS B CA 1 ATOM 3683 C C . LYS B 1 196 ? 12.446 -41.662 -39.771 1.00 104.19 ? 172 LYS B C 1 ATOM 3684 O O . LYS B 1 196 ? 12.943 -42.212 -40.752 1.00 105.39 ? 172 LYS B O 1 ATOM 3685 C CB . LYS B 1 196 ? 10.268 -40.547 -40.253 1.00 101.19 ? 172 LYS B CB 1 ATOM 3686 C CG . LYS B 1 196 ? 9.424 -39.288 -40.197 1.00 100.06 ? 172 LYS B CG 1 ATOM 3687 C CD . LYS B 1 196 ? 7.992 -39.554 -40.624 1.00 99.85 ? 172 LYS B CD 1 ATOM 3688 C CE . LYS B 1 196 ? 7.341 -40.620 -39.768 1.00 102.07 ? 172 LYS B CE 1 ATOM 3689 N NZ . LYS B 1 196 ? 5.916 -40.819 -40.146 1.00 101.67 ? 172 LYS B NZ 1 ATOM 3690 N N . GLU B 1 197 ? 12.491 -42.181 -38.548 1.00 105.40 ? 173 GLU B N 1 ATOM 3691 C CA . GLU B 1 197 ? 13.110 -43.474 -38.293 1.00 108.15 ? 173 GLU B CA 1 ATOM 3692 C C . GLU B 1 197 ? 12.055 -44.571 -38.323 1.00 107.12 ? 173 GLU B C 1 ATOM 3693 O O . GLU B 1 197 ? 12.372 -45.758 -38.248 1.00 110.93 ? 173 GLU B O 1 ATOM 3694 C CB . GLU B 1 197 ? 13.830 -43.464 -36.945 1.00 111.67 ? 173 GLU B CB 1 ATOM 3695 C CG . GLU B 1 197 ? 14.880 -42.373 -36.816 1.00 112.23 ? 173 GLU B CG 1 ATOM 3696 C CD . GLU B 1 197 ? 15.548 -42.363 -35.457 1.00 116.22 ? 173 GLU B CD 1 ATOM 3697 O OE1 . GLU B 1 197 ? 15.948 -41.270 -35.003 1.00 116.31 ? 173 GLU B OE1 1 ATOM 3698 O OE2 . GLU B 1 197 ? 15.677 -43.444 -34.844 1.00 119.82 ? 173 GLU B OE2 1 ATOM 3699 N N . LYS B 1 198 ? 10.798 -44.159 -38.440 1.00 102.52 ? 174 LYS B N 1 ATOM 3700 C CA . LYS B 1 198 ? 9.683 -45.092 -38.475 1.00 101.67 ? 174 LYS B CA 1 ATOM 3701 C C . LYS B 1 198 ? 8.769 -44.765 -39.649 1.00 96.91 ? 174 LYS B C 1 ATOM 3702 O O . LYS B 1 198 ? 8.688 -43.615 -40.075 1.00 93.98 ? 174 LYS B O 1 ATOM 3703 C CB . LYS B 1 198 ? 8.907 -45.027 -37.160 1.00 103.45 ? 174 LYS B CB 1 ATOM 3704 C CG . LYS B 1 198 ? 7.822 -46.079 -37.020 1.00 106.26 ? 174 LYS B CG 1 ATOM 3705 C CD . LYS B 1 198 ? 8.389 -47.473 -37.207 1.00 110.36 ? 174 LYS B CD 1 ATOM 3706 C CE . LYS B 1 198 ? 7.286 -48.513 -37.227 1.00 112.55 ? 174 LYS B CE 1 ATOM 3707 N NZ . LYS B 1 198 ? 7.821 -49.880 -37.460 1.00 116.66 ? 174 LYS B NZ 1 ATOM 3708 N N . GLN B 1 199 ? 8.093 -45.778 -40.179 1.00 96.24 ? 175 GLN B N 1 ATOM 3709 C CA . GLN B 1 199 ? 7.162 -45.578 -41.283 1.00 92.62 ? 175 GLN B CA 1 ATOM 3710 C C . GLN B 1 199 ? 5.722 -45.710 -40.809 1.00 91.02 ? 175 GLN B C 1 ATOM 3711 O O . GLN B 1 199 ? 5.400 -46.596 -40.019 1.00 94.36 ? 175 GLN B O 1 ATOM 3712 C CB . GLN B 1 199 ? 7.436 -46.586 -42.400 1.00 94.55 ? 175 GLN B CB 1 ATOM 3713 C CG . GLN B 1 199 ? 6.493 -46.470 -43.593 1.00 93.40 ? 175 GLN B CG 1 ATOM 3714 C CD . GLN B 1 199 ? 6.643 -47.622 -44.566 1.00 96.54 ? 175 GLN B CD 1 ATOM 3715 O OE1 . GLN B 1 199 ? 7.472 -48.509 -44.368 1.00 99.93 ? 175 GLN B OE1 1 ATOM 3716 N NE2 . GLN B 1 199 ? 5.836 -47.618 -45.622 1.00 96.16 ? 175 GLN B NE2 1 ATOM 3717 N N . ASP B 1 200 ? 4.860 -44.824 -41.296 1.00 86.47 ? 176 ASP B N 1 ATOM 3718 C CA . ASP B 1 200 ? 3.441 -44.869 -40.966 1.00 85.07 ? 176 ASP B CA 1 ATOM 3719 C C . ASP B 1 200 ? 2.647 -43.990 -41.917 1.00 81.49 ? 176 ASP B C 1 ATOM 3720 O O . ASP B 1 200 ? 3.217 -43.254 -42.718 1.00 79.59 ? 176 ASP B O 1 ATOM 3721 C CB . ASP B 1 200 ? 3.211 -44.409 -39.527 1.00 85.04 ? 176 ASP B CB 1 ATOM 3722 C CG . ASP B 1 200 ? 3.802 -43.045 -39.257 1.00 82.32 ? 176 ASP B CG 1 ATOM 3723 O OD1 . ASP B 1 200 ? 4.707 -42.637 -40.010 1.00 80.75 ? 176 ASP B OD1 1 ATOM 3724 O OD2 . ASP B 1 200 ? 3.371 -42.382 -38.294 1.00 82.36 ? 176 ASP B OD2 1 ATOM 3725 N N . VAL B 1 201 ? 1.328 -44.066 -41.821 1.00 81.09 ? 177 VAL B N 1 ATOM 3726 C CA . VAL B 1 201 ? 0.464 -43.228 -42.636 1.00 78.60 ? 177 VAL B CA 1 ATOM 3727 C C . VAL B 1 201 ? -0.137 -42.113 -41.792 1.00 76.45 ? 177 VAL B C 1 ATOM 3728 O O . VAL B 1 201 ? -1.139 -41.507 -42.168 1.00 75.90 ? 177 VAL B O 1 ATOM 3729 C CB . VAL B 1 201 ? -0.654 -44.045 -43.307 1.00 81.44 ? 177 VAL B CB 1 ATOM 3730 C CG1 . VAL B 1 201 ? -0.068 -45.014 -44.323 1.00 83.05 ? 177 VAL B CG1 1 ATOM 3731 C CG2 . VAL B 1 201 ? -1.458 -44.794 -42.265 1.00 84.40 ? 177 VAL B CG2 1 ATOM 3732 N N . PHE B 1 202 ? 0.481 -41.850 -40.645 1.00 75.47 ? 178 PHE B N 1 ATOM 3733 C CA . PHE B 1 202 ? 0.061 -40.747 -39.792 1.00 74.28 ? 178 PHE B CA 1 ATOM 3734 C C . PHE B 1 202 ? 0.691 -39.441 -40.263 1.00 72.40 ? 178 PHE B C 1 ATOM 3735 O O . PHE B 1 202 ? 1.866 -39.405 -40.631 1.00 71.44 ? 178 PHE B O 1 ATOM 3736 C CB . PHE B 1 202 ? 0.462 -41.000 -38.335 1.00 74.34 ? 178 PHE B CB 1 ATOM 3737 C CG . PHE B 1 202 ? -0.174 -42.220 -37.725 1.00 76.37 ? 178 PHE B CG 1 ATOM 3738 C CD1 . PHE B 1 202 ? -1.551 -42.307 -37.588 1.00 77.51 ? 178 PHE B CD1 1 ATOM 3739 C CD2 . PHE B 1 202 ? 0.610 -43.264 -37.254 1.00 77.68 ? 178 PHE B CD2 1 ATOM 3740 C CE1 . PHE B 1 202 ? -2.135 -43.421 -37.017 1.00 80.75 ? 178 PHE B CE1 1 ATOM 3741 C CE2 . PHE B 1 202 ? 0.033 -44.380 -36.680 1.00 81.03 ? 178 PHE B CE2 1 ATOM 3742 C CZ . PHE B 1 202 ? -1.341 -44.458 -36.562 1.00 82.61 ? 178 PHE B CZ 1 ATOM 3743 N N . CYS B 1 203 ? -0.095 -38.369 -40.258 1.00 72.38 ? 179 CYS B N 1 ATOM 3744 C CA . CYS B 1 203 ? 0.440 -37.048 -40.546 1.00 70.94 ? 179 CYS B CA 1 ATOM 3745 C C . CYS B 1 203 ? 1.338 -36.655 -39.381 1.00 71.50 ? 179 CYS B C 1 ATOM 3746 O O . CYS B 1 203 ? 1.128 -37.111 -38.258 1.00 73.21 ? 179 CYS B O 1 ATOM 3747 C CB . CYS B 1 203 ? -0.686 -36.024 -40.697 1.00 71.37 ? 179 CYS B CB 1 ATOM 3748 S SG . CYS B 1 203 ? -2.168 -36.609 -41.554 1.00 79.52 ? 179 CYS B SG 1 ATOM 3749 N N . ASP B 1 204 ? 2.336 -35.819 -39.655 1.00 70.79 ? 180 ASP B N 1 ATOM 3750 C CA . ASP B 1 204 ? 3.277 -35.350 -38.638 1.00 71.69 ? 180 ASP B CA 1 ATOM 3751 C C . ASP B 1 204 ? 2.544 -34.724 -37.460 1.00 73.33 ? 180 ASP B C 1 ATOM 3752 O O . ASP B 1 204 ? 1.785 -33.775 -37.628 1.00 73.34 ? 180 ASP B O 1 ATOM 3753 C CB . ASP B 1 204 ? 4.240 -34.330 -39.249 1.00 71.07 ? 180 ASP B CB 1 ATOM 3754 C CG . ASP B 1 204 ? 5.441 -34.053 -38.367 1.00 72.29 ? 180 ASP B CG 1 ATOM 3755 O OD1 . ASP B 1 204 ? 5.438 -34.449 -37.183 1.00 74.27 ? 180 ASP B OD1 1 ATOM 3756 O OD2 . ASP B 1 204 ? 6.394 -33.425 -38.863 1.00 71.77 ? 180 ASP B OD2 1 ATOM 3757 N N . SER B 1 205 ? 2.789 -35.258 -36.268 1.00 68.27 ? 181 SER B N 1 ATOM 3758 C CA . SER B 1 205 ? 2.107 -34.807 -35.060 1.00 67.22 ? 181 SER B CA 1 ATOM 3759 C C . SER B 1 205 ? 2.442 -33.360 -34.727 1.00 67.47 ? 181 SER B C 1 ATOM 3760 O O . SER B 1 205 ? 1.657 -32.670 -34.081 1.00 67.50 ? 181 SER B O 1 ATOM 3761 C CB . SER B 1 205 ? 2.486 -35.696 -33.877 1.00 66.62 ? 181 SER B CB 1 ATOM 3762 O OG . SER B 1 205 ? 3.853 -35.536 -33.541 1.00 66.99 ? 181 SER B OG 1 ATOM 3763 N N . LYS B 1 206 ? 3.606 -32.904 -35.178 1.00 68.15 ? 182 LYS B N 1 ATOM 3764 C CA . LYS B 1 206 ? 4.107 -31.591 -34.789 1.00 68.64 ? 182 LYS B CA 1 ATOM 3765 C C . LYS B 1 206 ? 3.500 -30.440 -35.599 1.00 68.85 ? 182 LYS B C 1 ATOM 3766 O O . LYS B 1 206 ? 3.887 -29.286 -35.425 1.00 69.70 ? 182 LYS B O 1 ATOM 3767 C CB . LYS B 1 206 ? 5.640 -31.557 -34.863 1.00 70.28 ? 182 LYS B CB 1 ATOM 3768 C CG . LYS B 1 206 ? 6.332 -32.586 -33.973 1.00 70.91 ? 182 LYS B CG 1 ATOM 3769 C CD . LYS B 1 206 ? 7.836 -32.349 -33.878 1.00 72.19 ? 182 LYS B CD 1 ATOM 3770 C CE . LYS B 1 206 ? 8.154 -31.018 -33.207 1.00 72.18 ? 182 LYS B CE 1 ATOM 3771 N NZ . LYS B 1 206 ? 9.617 -30.768 -33.036 1.00 72.78 ? 182 LYS B NZ 1 ATOM 3772 N N . LEU B 1 207 ? 2.547 -30.752 -36.472 1.00 68.00 ? 183 LEU B N 1 ATOM 3773 C CA . LEU B 1 207 ? 1.915 -29.728 -37.299 1.00 67.68 ? 183 LEU B CA 1 ATOM 3774 C C . LEU B 1 207 ? 0.435 -29.602 -36.976 1.00 65.25 ? 183 LEU B C 1 ATOM 3775 O O . LEU B 1 207 ? -0.213 -28.621 -37.338 1.00 64.87 ? 183 LEU B O 1 ATOM 3776 C CB . LEU B 1 207 ? 2.096 -30.054 -38.780 1.00 69.44 ? 183 LEU B CB 1 ATOM 3777 C CG . LEU B 1 207 ? 3.525 -30.338 -39.237 1.00 71.10 ? 183 LEU B CG 1 ATOM 3778 C CD1 . LEU B 1 207 ? 3.589 -30.543 -40.745 1.00 72.47 ? 183 LEU B CD1 1 ATOM 3779 C CD2 . LEU B 1 207 ? 4.449 -29.216 -38.811 1.00 71.65 ? 183 LEU B CD2 1 ATOM 3780 N N . MET B 1 208 ? -0.091 -30.606 -36.286 1.00 63.49 ? 184 MET B N 1 ATOM 3781 C CA . MET B 1 208 ? -1.505 -30.646 -35.944 1.00 61.92 ? 184 MET B CA 1 ATOM 3782 C C . MET B 1 208 ? -1.770 -29.911 -34.637 1.00 60.73 ? 184 MET B C 1 ATOM 3783 O O . MET B 1 208 ? -0.899 -29.838 -33.773 1.00 61.12 ? 184 MET B O 1 ATOM 3784 C CB . MET B 1 208 ? -1.972 -32.094 -35.805 1.00 60.96 ? 184 MET B CB 1 ATOM 3785 C CG . MET B 1 208 ? -1.120 -33.101 -36.553 1.00 60.95 ? 184 MET B CG 1 ATOM 3786 S SD . MET B 1 208 ? -1.196 -32.897 -38.337 1.00 107.58 ? 184 MET B SD 1 ATOM 3787 C CE . MET B 1 208 ? -2.855 -33.471 -38.660 1.00 91.12 ? 184 MET B CE 1 ATOM 3788 N N . SER B 1 209 ? -2.975 -29.369 -34.497 1.00 59.39 ? 185 SER B N 1 ATOM 3789 C CA . SER B 1 209 ? -3.397 -28.769 -33.237 1.00 58.39 ? 185 SER B CA 1 ATOM 3790 C C . SER B 1 209 ? -4.890 -28.991 -33.018 1.00 58.11 ? 185 SER B C 1 ATOM 3791 O O . SER B 1 209 ? -5.591 -29.434 -33.922 1.00 46.72 ? 185 SER B O 1 ATOM 3792 C CB . SER B 1 209 ? -3.055 -27.282 -33.198 1.00 58.41 ? 185 SER B CB 1 ATOM 3793 O OG . SER B 1 209 ? -3.493 -26.630 -34.372 1.00 59.09 ? 185 SER B OG 1 ATOM 3794 N N . ALA B 1 210 ? -5.366 -28.694 -31.814 1.00 58.10 ? 186 ALA B N 1 ATOM 3795 C CA . ALA B 1 210 ? -6.771 -28.891 -31.475 1.00 58.35 ? 186 ALA B CA 1 ATOM 3796 C C . ALA B 1 210 ? -7.116 -28.126 -30.212 1.00 45.88 ? 186 ALA B C 1 ATOM 3797 O O . ALA B 1 210 ? -6.266 -27.952 -29.348 1.00 45.75 ? 186 ALA B O 1 ATOM 3798 C CB . ALA B 1 210 ? -7.067 -30.366 -31.284 1.00 45.81 ? 186 ALA B CB 1 ATOM 3799 N N . ALA B 1 211 ? -8.364 -27.680 -30.101 1.00 54.00 ? 187 ALA B N 1 ATOM 3800 C CA . ALA B 1 211 ? -8.807 -27.003 -28.882 1.00 55.08 ? 187 ALA B CA 1 ATOM 3801 C C . ALA B 1 211 ? -10.323 -26.929 -28.746 1.00 56.29 ? 187 ALA B C 1 ATOM 3802 O O . ALA B 1 211 ? -11.039 -26.925 -29.738 1.00 56.60 ? 187 ALA B O 1 ATOM 3803 C CB . ALA B 1 211 ? -8.213 -25.609 -28.804 1.00 55.71 ? 187 ALA B CB 1 ATOM 3804 N N . ILE B 1 212 ? -10.803 -26.862 -27.508 1.00 57.52 ? 188 ILE B N 1 ATOM 3805 C CA . ILE B 1 212 ? -12.225 -26.662 -27.245 1.00 59.30 ? 188 ILE B CA 1 ATOM 3806 C C . ILE B 1 212 ? -12.431 -25.564 -26.209 1.00 61.05 ? 188 ILE B C 1 ATOM 3807 O O . ILE B 1 212 ? -11.809 -25.578 -25.147 1.00 60.53 ? 188 ILE B O 1 ATOM 3808 C CB . ILE B 1 212 ? -12.912 -27.949 -26.749 1.00 59.31 ? 188 ILE B CB 1 ATOM 3809 C CG1 . ILE B 1 212 ? -12.819 -29.033 -27.810 1.00 59.56 ? 188 ILE B CG1 1 ATOM 3810 C CG2 . ILE B 1 212 ? -14.367 -27.687 -26.410 1.00 47.08 ? 188 ILE B CG2 1 ATOM 3811 C CD1 . ILE B 1 212 ? -13.755 -30.183 -27.593 1.00 60.38 ? 188 ILE B CD1 1 ATOM 3812 N N . LYS B 1 213 ? -13.299 -24.610 -26.529 1.00 63.82 ? 189 LYS B N 1 ATOM 3813 C CA . LYS B 1 213 ? -13.691 -23.579 -25.579 1.00 66.73 ? 189 LYS B CA 1 ATOM 3814 C C . LYS B 1 213 ? -15.020 -22.985 -26.022 1.00 69.58 ? 189 LYS B C 1 ATOM 3815 O O . LYS B 1 213 ? -15.282 -22.871 -27.220 1.00 69.73 ? 189 LYS B O 1 ATOM 3816 C CB . LYS B 1 213 ? -12.619 -22.490 -25.477 1.00 67.04 ? 189 LYS B CB 1 ATOM 3817 C CG . LYS B 1 213 ? -12.776 -21.558 -24.273 1.00 67.87 ? 189 LYS B CG 1 ATOM 3818 C CD . LYS B 1 213 ? -11.595 -20.597 -24.151 1.00 68.14 ? 189 LYS B CD 1 ATOM 3819 C CE . LYS B 1 213 ? -11.844 -19.526 -23.096 1.00 69.18 ? 189 LYS B CE 1 ATOM 3820 N NZ . LYS B 1 213 ? -12.091 -20.103 -21.750 1.00 69.74 ? 189 LYS B NZ 1 ATOM 3821 N N . ASP B 1 214 ? -15.855 -22.634 -25.047 1.00 72.53 ? 190 ASP B N 1 ATOM 3822 C CA . ASP B 1 214 ? -17.160 -22.030 -25.302 1.00 75.44 ? 190 ASP B CA 1 ATOM 3823 C C . ASP B 1 214 ? -18.040 -22.913 -26.184 1.00 77.20 ? 190 ASP B C 1 ATOM 3824 O O . ASP B 1 214 ? -18.772 -22.416 -27.039 1.00 77.87 ? 190 ASP B O 1 ATOM 3825 C CB . ASP B 1 214 ? -16.995 -20.634 -25.913 1.00 76.36 ? 190 ASP B CB 1 ATOM 3826 C CG . ASP B 1 214 ? -16.097 -19.735 -25.079 1.00 76.82 ? 190 ASP B CG 1 ATOM 3827 O OD1 . ASP B 1 214 ? -16.103 -19.871 -23.837 1.00 77.05 ? 190 ASP B OD1 1 ATOM 3828 O OD2 . ASP B 1 214 ? -15.385 -18.891 -25.663 1.00 77.00 ? 190 ASP B OD2 1 ATOM 3829 N N . ASN B 1 215 ? -17.965 -24.222 -25.952 1.00 78.18 ? 191 ASN B N 1 ATOM 3830 C CA . ASN B 1 215 ? -18.658 -25.219 -26.770 1.00 79.38 ? 191 ASN B CA 1 ATOM 3831 C C . ASN B 1 215 ? -18.419 -25.035 -28.268 1.00 79.42 ? 191 ASN B C 1 ATOM 3832 O O . ASN B 1 215 ? -19.352 -25.081 -29.068 1.00 80.33 ? 191 ASN B O 1 ATOM 3833 C CB . ASN B 1 215 ? -20.161 -25.274 -26.450 1.00 80.70 ? 191 ASN B CB 1 ATOM 3834 C CG . ASN B 1 215 ? -20.458 -25.946 -25.112 1.00 80.47 ? 191 ASN B CG 1 ATOM 3835 O OD1 . ASN B 1 215 ? -19.738 -26.844 -24.676 1.00 79.55 ? 191 ASN B OD1 1 ATOM 3836 N ND2 . ASN B 1 215 ? -21.530 -25.514 -24.462 1.00 81.09 ? 191 ASN B ND2 1 ATOM 3837 N N . ARG B 1 216 ? -17.160 -24.806 -28.627 1.00 78.66 ? 192 ARG B N 1 ATOM 3838 C CA . ARG B 1 216 ? -16.748 -24.725 -30.023 1.00 78.49 ? 192 ARG B CA 1 ATOM 3839 C C . ARG B 1 216 ? -15.391 -25.394 -30.199 1.00 75.51 ? 192 ARG B C 1 ATOM 3840 O O . ARG B 1 216 ? -14.363 -24.840 -29.822 1.00 74.68 ? 192 ARG B O 1 ATOM 3841 C CB . ARG B 1 216 ? -16.694 -23.272 -30.501 1.00 81.13 ? 192 ARG B CB 1 ATOM 3842 C CG . ARG B 1 216 ? -18.055 -22.600 -30.607 1.00 84.38 ? 192 ARG B CG 1 ATOM 3843 C CD . ARG B 1 216 ? -17.937 -21.146 -31.034 1.00 86.93 ? 192 ARG B CD 1 ATOM 3844 N NE . ARG B 1 216 ? -19.218 -20.451 -30.935 1.00 89.54 ? 192 ARG B NE 1 ATOM 3845 C CZ . ARG B 1 216 ? -19.412 -19.177 -31.259 1.00 91.17 ? 192 ARG B CZ 1 ATOM 3846 N NH1 . ARG B 1 216 ? -18.409 -18.441 -31.712 1.00 91.12 ? 192 ARG B NH1 1 ATOM 3847 N NH2 . ARG B 1 216 ? -20.617 -18.639 -31.131 1.00 92.53 ? 192 ARG B NH2 1 ATOM 3848 N N . ALA B 1 217 ? -15.401 -26.594 -30.765 1.00 73.89 ? 193 ALA B N 1 ATOM 3849 C CA . ALA B 1 217 ? -14.179 -27.362 -30.967 1.00 71.97 ? 193 ALA B CA 1 ATOM 3850 C C . ALA B 1 217 ? -13.526 -26.986 -32.284 1.00 71.01 ? 193 ALA B C 1 ATOM 3851 O O . ALA B 1 217 ? -14.199 -26.574 -33.216 1.00 72.03 ? 193 ALA B O 1 ATOM 3852 C CB . ALA B 1 217 ? -14.486 -28.845 -30.950 1.00 71.97 ? 193 ALA B CB 1 ATOM 3853 N N . VAL B 1 218 ? -12.210 -27.137 -32.356 1.00 69.35 ? 194 VAL B N 1 ATOM 3854 C CA . VAL B 1 218 ? -11.475 -26.906 -33.591 1.00 68.48 ? 194 VAL B CA 1 ATOM 3855 C C . VAL B 1 218 ? -10.329 -27.895 -33.708 1.00 67.53 ? 194 VAL B C 1 ATOM 3856 O O . VAL B 1 218 ? -9.539 -28.051 -32.776 1.00 67.21 ? 194 VAL B O 1 ATOM 3857 C CB . VAL B 1 218 ? -10.889 -25.478 -33.662 1.00 68.37 ? 194 VAL B CB 1 ATOM 3858 C CG1 . VAL B 1 218 ? -9.775 -25.413 -34.690 1.00 68.40 ? 194 VAL B CG1 1 ATOM 3859 C CG2 . VAL B 1 218 ? -11.963 -24.465 -33.990 1.00 69.03 ? 194 VAL B CG2 1 ATOM 3860 N N . HIS B 1 219 ? -10.254 -28.568 -34.852 1.00 66.81 ? 195 HIS B N 1 ATOM 3861 C CA . HIS B 1 219 ? -9.074 -29.348 -35.195 1.00 65.52 ? 195 HIS B CA 1 ATOM 3862 C C . HIS B 1 219 ? -8.318 -28.648 -36.319 1.00 66.12 ? 195 HIS B C 1 ATOM 3863 O O . HIS B 1 219 ? -8.830 -28.510 -37.428 1.00 66.63 ? 195 HIS B O 1 ATOM 3864 C CB . HIS B 1 219 ? -9.461 -30.769 -35.603 1.00 63.92 ? 195 HIS B CB 1 ATOM 3865 C CG . HIS B 1 219 ? -10.056 -31.571 -34.490 1.00 62.12 ? 195 HIS B CG 1 ATOM 3866 N ND1 . HIS B 1 219 ? -11.351 -31.388 -34.050 1.00 61.67 ? 195 HIS B ND1 1 ATOM 3867 C CD2 . HIS B 1 219 ? -9.533 -32.556 -33.722 1.00 60.92 ? 195 HIS B CD2 1 ATOM 3868 C CE1 . HIS B 1 219 ? -11.599 -32.229 -33.061 1.00 60.89 ? 195 HIS B CE1 1 ATOM 3869 N NE2 . HIS B 1 219 ? -10.513 -32.948 -32.842 1.00 60.44 ? 195 HIS B NE2 1 ATOM 3870 N N . ALA B 1 220 ? -7.102 -28.200 -36.027 1.00 66.35 ? 196 ALA B N 1 ATOM 3871 C CA . ALA B 1 220 ? -6.338 -27.397 -36.974 1.00 67.41 ? 196 ALA B CA 1 ATOM 3872 C C . ALA B 1 220 ? -5.083 -28.080 -37.501 1.00 67.54 ? 196 ALA B C 1 ATOM 3873 O O . ALA B 1 220 ? -4.579 -29.036 -36.916 1.00 66.90 ? 196 ALA B O 1 ATOM 3874 C CB . ALA B 1 220 ? -5.985 -26.055 -36.364 1.00 67.74 ? 196 ALA B CB 1 ATOM 3875 N N . ASP B 1 221 ? -4.581 -27.549 -38.609 1.00 58.04 ? 197 ASP B N 1 ATOM 3876 C CA . ASP B 1 221 ? -3.395 -28.056 -39.274 1.00 59.20 ? 197 ASP B CA 1 ATOM 3877 C C . ASP B 1 221 ? -2.808 -26.879 -40.037 1.00 59.82 ? 197 ASP B C 1 ATOM 3878 O O . ASP B 1 221 ? -3.107 -25.727 -39.724 1.00 60.18 ? 197 ASP B O 1 ATOM 3879 C CB . ASP B 1 221 ? -3.785 -29.176 -40.237 1.00 59.25 ? 197 ASP B CB 1 ATOM 3880 C CG . ASP B 1 221 ? -2.592 -29.961 -40.750 1.00 60.76 ? 197 ASP B CG 1 ATOM 3881 O OD1 . ASP B 1 221 ? -1.537 -29.349 -41.020 1.00 62.44 ? 197 ASP B OD1 1 ATOM 3882 O OD2 . ASP B 1 221 ? -2.713 -31.192 -40.904 1.00 60.16 ? 197 ASP B OD2 1 ATOM 3883 N N . MET B 1 222 ? -1.980 -27.160 -41.036 1.00 60.63 ? 198 MET B N 1 ATOM 3884 C CA . MET B 1 222 ? -1.425 -26.111 -41.875 1.00 62.05 ? 198 MET B CA 1 ATOM 3885 C C . MET B 1 222 ? -2.282 -25.931 -43.117 1.00 61.54 ? 198 MET B C 1 ATOM 3886 O O . MET B 1 222 ? -2.243 -24.886 -43.760 1.00 62.20 ? 198 MET B O 1 ATOM 3887 C CB . MET B 1 222 ? 0.015 -26.431 -42.278 1.00 64.02 ? 198 MET B CB 1 ATOM 3888 C CG . MET B 1 222 ? 0.988 -26.619 -41.118 1.00 65.38 ? 198 MET B CG 1 ATOM 3889 S SD . MET B 1 222 ? 1.123 -25.189 -40.024 1.00 45.99 ? 198 MET B SD 1 ATOM 3890 C CE . MET B 1 222 ? 1.276 -23.881 -41.228 1.00 47.13 ? 198 MET B CE 1 ATOM 3891 N N . GLY B 1 223 ? -3.055 -26.959 -43.447 1.00 60.46 ? 199 GLY B N 1 ATOM 3892 C CA . GLY B 1 223 ? -3.953 -26.906 -44.585 1.00 59.69 ? 199 GLY B CA 1 ATOM 3893 C C . GLY B 1 223 ? -5.382 -27.225 -44.195 1.00 57.88 ? 199 GLY B C 1 ATOM 3894 O O . GLY B 1 223 ? -6.303 -27.056 -44.991 1.00 57.31 ? 199 GLY B O 1 ATOM 3895 N N . TYR B 1 224 ? -5.567 -27.691 -42.964 1.00 56.82 ? 200 TYR B N 1 ATOM 3896 C CA . TYR B 1 224 ? -6.898 -28.018 -42.468 1.00 55.03 ? 200 TYR B CA 1 ATOM 3897 C C . TYR B 1 224 ? -7.361 -27.002 -41.432 1.00 55.01 ? 200 TYR B C 1 ATOM 3898 O O . TYR B 1 224 ? -6.554 -26.384 -40.746 1.00 55.13 ? 200 TYR B O 1 ATOM 3899 C CB . TYR B 1 224 ? -6.926 -29.417 -41.844 1.00 54.12 ? 200 TYR B CB 1 ATOM 3900 C CG . TYR B 1 224 ? -6.901 -30.574 -42.825 1.00 54.34 ? 200 TYR B CG 1 ATOM 3901 C CD1 . TYR B 1 224 ? -6.395 -30.424 -44.107 1.00 55.37 ? 200 TYR B CD1 1 ATOM 3902 C CD2 . TYR B 1 224 ? -7.397 -31.820 -42.465 1.00 54.16 ? 200 TYR B CD2 1 ATOM 3903 C CE1 . TYR B 1 224 ? -6.374 -31.483 -44.999 1.00 55.77 ? 200 TYR B CE1 1 ATOM 3904 C CE2 . TYR B 1 224 ? -7.383 -32.881 -43.352 1.00 54.61 ? 200 TYR B CE2 1 ATOM 3905 C CZ . TYR B 1 224 ? -6.870 -32.706 -44.617 1.00 55.10 ? 200 TYR B CZ 1 ATOM 3906 O OH . TYR B 1 224 ? -6.852 -33.754 -45.504 1.00 55.33 ? 200 TYR B OH 1 ATOM 3907 N N . TRP B 1 225 ? -8.671 -26.829 -41.334 1.00 55.40 ? 201 TRP B N 1 ATOM 3908 C CA . TRP B 1 225 ? -9.256 -26.075 -40.235 1.00 56.50 ? 201 TRP B CA 1 ATOM 3909 C C . TRP B 1 225 ? -10.698 -26.525 -40.041 1.00 56.31 ? 201 TRP B C 1 ATOM 3910 O O . TRP B 1 225 ? -11.576 -26.163 -40.817 1.00 57.19 ? 201 TRP B O 1 ATOM 3911 C CB . TRP B 1 225 ? -9.198 -24.575 -40.505 1.00 58.16 ? 201 TRP B CB 1 ATOM 3912 C CG . TRP B 1 225 ? -9.868 -23.767 -39.440 1.00 59.52 ? 201 TRP B CG 1 ATOM 3913 C CD1 . TRP B 1 225 ? -11.155 -23.315 -39.442 1.00 60.00 ? 201 TRP B CD1 1 ATOM 3914 C CD2 . TRP B 1 225 ? -9.286 -23.319 -38.210 1.00 60.53 ? 201 TRP B CD2 1 ATOM 3915 N NE1 . TRP B 1 225 ? -11.407 -22.609 -38.293 1.00 60.94 ? 201 TRP B NE1 1 ATOM 3916 C CE2 . TRP B 1 225 ? -10.277 -22.599 -37.518 1.00 61.20 ? 201 TRP B CE2 1 ATOM 3917 C CE3 . TRP B 1 225 ? -8.022 -23.454 -37.630 1.00 60.87 ? 201 TRP B CE3 1 ATOM 3918 C CZ2 . TRP B 1 225 ? -10.041 -22.015 -36.273 1.00 62.12 ? 201 TRP B CZ2 1 ATOM 3919 C CZ3 . TRP B 1 225 ? -7.792 -22.877 -36.394 1.00 61.58 ? 201 TRP B CZ3 1 ATOM 3920 C CH2 . TRP B 1 225 ? -8.793 -22.165 -35.731 1.00 62.25 ? 201 TRP B CH2 1 ATOM 3921 N N . ILE B 1 226 ? -10.939 -27.311 -38.998 1.00 55.22 ? 202 ILE B N 1 ATOM 3922 C CA . ILE B 1 226 ? -12.217 -27.999 -38.856 1.00 54.57 ? 202 ILE B CA 1 ATOM 3923 C C . ILE B 1 226 ? -12.980 -27.587 -37.599 1.00 53.84 ? 202 ILE B C 1 ATOM 3924 O O . ILE B 1 226 ? -12.605 -27.953 -36.485 1.00 53.43 ? 202 ILE B O 1 ATOM 3925 C CB . ILE B 1 226 ? -12.007 -29.519 -38.887 1.00 55.01 ? 202 ILE B CB 1 ATOM 3926 C CG1 . ILE B 1 226 ? -11.130 -29.888 -40.085 1.00 55.18 ? 202 ILE B CG1 1 ATOM 3927 C CG2 . ILE B 1 226 ? -13.336 -30.245 -38.956 1.00 55.43 ? 202 ILE B CG2 1 ATOM 3928 C CD1 . ILE B 1 226 ? -10.600 -31.296 -40.059 1.00 55.52 ? 202 ILE B CD1 1 ATOM 3929 N N . GLU B 1 227 ? -14.061 -26.833 -37.794 1.00 54.07 ? 203 GLU B N 1 ATOM 3930 C CA . GLU B 1 227 ? -14.835 -26.292 -36.681 1.00 54.89 ? 203 GLU B CA 1 ATOM 3931 C C . GLU B 1 227 ? -16.073 -27.110 -36.349 1.00 55.90 ? 203 GLU B C 1 ATOM 3932 O O . GLU B 1 227 ? -16.853 -27.473 -37.233 1.00 56.59 ? 203 GLU B O 1 ATOM 3933 C CB . GLU B 1 227 ? -15.273 -24.854 -36.964 1.00 55.48 ? 203 GLU B CB 1 ATOM 3934 C CG . GLU B 1 227 ? -14.150 -23.858 -37.115 1.00 55.52 ? 203 GLU B CG 1 ATOM 3935 C CD . GLU B 1 227 ? -14.658 -22.480 -37.483 1.00 57.21 ? 203 GLU B CD 1 ATOM 3936 O OE1 . GLU B 1 227 ? -13.937 -21.744 -38.191 1.00 57.79 ? 203 GLU B OE1 1 ATOM 3937 O OE2 . GLU B 1 227 ? -15.779 -22.131 -37.061 1.00 58.33 ? 203 GLU B OE2 1 ATOM 3938 N N . SER B 1 228 ? -16.252 -27.358 -35.057 1.00 56.49 ? 204 SER B N 1 ATOM 3939 C CA . SER B 1 228 ? -17.428 -28.020 -34.529 1.00 58.41 ? 204 SER B CA 1 ATOM 3940 C C . SER B 1 228 ? -18.004 -27.155 -33.421 1.00 60.35 ? 204 SER B C 1 ATOM 3941 O O . SER B 1 228 ? -17.322 -26.279 -32.902 1.00 60.40 ? 204 SER B O 1 ATOM 3942 C CB . SER B 1 228 ? -17.044 -29.378 -33.965 1.00 58.69 ? 204 SER B CB 1 ATOM 3943 O OG . SER B 1 228 ? -16.254 -30.089 -34.894 1.00 58.60 ? 204 SER B OG 1 ATOM 3944 N N . ALA B 1 229 ? -19.255 -27.403 -33.054 1.00 62.73 ? 205 ALA B N 1 ATOM 3945 C CA . ALA B 1 229 ? -19.911 -26.603 -32.028 1.00 65.23 ? 205 ALA B CA 1 ATOM 3946 C C . ALA B 1 229 ? -21.045 -27.356 -31.345 1.00 67.81 ? 205 ALA B C 1 ATOM 3947 O O . ALA B 1 229 ? -21.319 -28.510 -31.666 1.00 67.09 ? 205 ALA B O 1 ATOM 3948 C CB . ALA B 1 229 ? -20.423 -25.306 -32.624 1.00 66.17 ? 205 ALA B CB 1 ATOM 3949 N N . LEU B 1 230 ? -21.702 -26.683 -30.405 1.00 71.34 ? 206 LEU B N 1 ATOM 3950 C CA . LEU B 1 230 ? -22.840 -27.253 -29.695 1.00 74.89 ? 206 LEU B CA 1 ATOM 3951 C C . LEU B 1 230 ? -24.102 -26.435 -29.937 1.00 80.28 ? 206 LEU B C 1 ATOM 3952 O O . LEU B 1 230 ? -24.497 -25.619 -29.106 1.00 82.23 ? 206 LEU B O 1 ATOM 3953 C CB . LEU B 1 230 ? -22.551 -27.351 -28.192 1.00 73.81 ? 206 LEU B CB 1 ATOM 3954 C CG . LEU B 1 230 ? -23.648 -27.900 -27.269 1.00 74.38 ? 206 LEU B CG 1 ATOM 3955 C CD1 . LEU B 1 230 ? -24.097 -29.272 -27.708 1.00 73.67 ? 206 LEU B CD1 1 ATOM 3956 C CD2 . LEU B 1 230 ? -23.179 -27.942 -25.829 1.00 74.03 ? 206 LEU B CD2 1 ATOM 3957 N N . ASN B 1 231 ? -24.723 -26.635 -31.092 1.00 83.58 ? 207 ASN B N 1 ATOM 3958 C CA . ASN B 1 231 ? -26.053 -26.101 -31.316 1.00 89.30 ? 207 ASN B CA 1 ATOM 3959 C C . ASN B 1 231 ? -27.012 -27.259 -31.144 1.00 88.92 ? 207 ASN B C 1 ATOM 3960 O O . ASN B 1 231 ? -26.978 -28.209 -31.924 1.00 88.63 ? 207 ASN B O 1 ATOM 3961 C CB . ASN B 1 231 ? -26.179 -25.499 -32.711 1.00 94.63 ? 207 ASN B CB 1 ATOM 3962 C CG . ASN B 1 231 ? -27.450 -24.692 -32.880 1.00 103.06 ? 207 ASN B CG 1 ATOM 3963 O OD1 . ASN B 1 231 ? -28.092 -24.318 -31.900 1.00 105.42 ? 207 ASN B OD1 1 ATOM 3964 N ND2 . ASN B 1 231 ? -27.816 -24.415 -34.126 1.00 108.62 ? 207 ASN B ND2 1 ATOM 3965 N N . ASP B 1 232 ? -27.840 -27.193 -30.104 1.00 88.67 ? 208 ASP B N 1 ATOM 3966 C CA . ASP B 1 232 ? -28.667 -28.322 -29.683 1.00 87.84 ? 208 ASP B CA 1 ATOM 3967 C C . ASP B 1 232 ? -27.779 -29.501 -29.299 1.00 84.24 ? 208 ASP B C 1 ATOM 3968 O O . ASP B 1 232 ? -27.724 -29.895 -28.136 1.00 84.59 ? 208 ASP B O 1 ATOM 3969 C CB . ASP B 1 232 ? -29.669 -28.723 -30.769 1.00 88.86 ? 208 ASP B CB 1 ATOM 3970 C CG . ASP B 1 232 ? -30.630 -29.801 -30.306 1.00 90.74 ? 208 ASP B CG 1 ATOM 3971 O OD1 . ASP B 1 232 ? -30.886 -30.750 -31.078 1.00 90.58 ? 208 ASP B OD1 1 ATOM 3972 O OD2 . ASP B 1 232 ? -31.142 -29.694 -29.173 1.00 92.60 ? 208 ASP B OD2 1 ATOM 3973 N N . THR B 1 233 ? -27.083 -30.057 -30.284 1.00 81.01 ? 209 THR B N 1 ATOM 3974 C CA . THR B 1 233 ? -26.123 -31.121 -30.038 1.00 78.17 ? 209 THR B CA 1 ATOM 3975 C C . THR B 1 233 ? -24.773 -30.795 -30.663 1.00 74.26 ? 209 THR B C 1 ATOM 3976 O O . THR B 1 233 ? -24.657 -29.887 -31.483 1.00 73.65 ? 209 THR B O 1 ATOM 3977 C CB . THR B 1 233 ? -26.615 -32.457 -30.599 1.00 79.35 ? 209 THR B CB 1 ATOM 3978 O OG1 . THR B 1 233 ? -26.892 -32.313 -31.998 1.00 79.37 ? 209 THR B OG1 1 ATOM 3979 C CG2 . THR B 1 233 ? -27.874 -32.902 -29.878 1.00 82.65 ? 209 THR B CG2 1 ATOM 3980 N N . TRP B 1 234 ? -23.752 -31.538 -30.259 1.00 71.91 ? 210 TRP B N 1 ATOM 3981 C CA . TRP B 1 234 ? -22.426 -31.387 -30.834 1.00 69.13 ? 210 TRP B CA 1 ATOM 3982 C C . TRP B 1 234 ? -22.391 -31.943 -32.245 1.00 69.30 ? 210 TRP B C 1 ATOM 3983 O O . TRP B 1 234 ? -22.800 -33.081 -32.481 1.00 70.14 ? 210 TRP B O 1 ATOM 3984 C CB . TRP B 1 234 ? -21.394 -32.127 -29.991 1.00 67.31 ? 210 TRP B CB 1 ATOM 3985 C CG . TRP B 1 234 ? -20.956 -31.387 -28.784 1.00 66.64 ? 210 TRP B CG 1 ATOM 3986 C CD1 . TRP B 1 234 ? -21.444 -31.520 -27.521 1.00 67.93 ? 210 TRP B CD1 1 ATOM 3987 C CD2 . TRP B 1 234 ? -19.923 -30.399 -28.716 1.00 65.14 ? 210 TRP B CD2 1 ATOM 3988 N NE1 . TRP B 1 234 ? -20.782 -30.670 -26.670 1.00 67.64 ? 210 TRP B NE1 1 ATOM 3989 C CE2 . TRP B 1 234 ? -19.842 -29.971 -27.381 1.00 65.85 ? 210 TRP B CE2 1 ATOM 3990 C CE3 . TRP B 1 234 ? -19.061 -29.832 -29.658 1.00 63.52 ? 210 TRP B CE3 1 ATOM 3991 C CZ2 . TRP B 1 234 ? -18.930 -29.002 -26.963 1.00 65.15 ? 210 TRP B CZ2 1 ATOM 3992 C CZ3 . TRP B 1 234 ? -18.158 -28.871 -29.242 1.00 62.85 ? 210 TRP B CZ3 1 ATOM 3993 C CH2 . TRP B 1 234 ? -18.098 -28.467 -27.909 1.00 63.73 ? 210 TRP B CH2 1 ATOM 3994 N N . LYS B 1 235 ? -21.893 -31.142 -33.180 1.00 68.69 ? 211 LYS B N 1 ATOM 3995 C CA . LYS B 1 235 ? -21.709 -31.599 -34.553 1.00 68.24 ? 211 LYS B CA 1 ATOM 3996 C C . LYS B 1 235 ? -20.706 -30.727 -35.290 1.00 66.29 ? 211 LYS B C 1 ATOM 3997 O O . LYS B 1 235 ? -20.357 -29.644 -34.830 1.00 65.91 ? 211 LYS B O 1 ATOM 3998 C CB . LYS B 1 235 ? -23.042 -31.629 -35.301 1.00 70.37 ? 211 LYS B CB 1 ATOM 3999 C CG . LYS B 1 235 ? -23.901 -30.401 -35.077 1.00 72.09 ? 211 LYS B CG 1 ATOM 4000 C CD . LYS B 1 235 ? -25.280 -30.589 -35.680 1.00 74.66 ? 211 LYS B CD 1 ATOM 4001 C CE . LYS B 1 235 ? -26.215 -29.480 -35.239 1.00 77.02 ? 211 LYS B CE 1 ATOM 4002 N NZ . LYS B 1 235 ? -26.320 -29.421 -33.758 1.00 78.03 ? 211 LYS B NZ 1 ATOM 4003 N N . ILE B 1 236 ? -20.241 -31.211 -36.434 1.00 65.13 ? 212 ILE B N 1 ATOM 4004 C CA . ILE B 1 236 ? -19.277 -30.468 -37.232 1.00 63.39 ? 212 ILE B CA 1 ATOM 4005 C C . ILE B 1 236 ? -19.972 -29.298 -37.921 1.00 63.31 ? 212 ILE B C 1 ATOM 4006 O O . ILE B 1 236 ? -21.098 -29.430 -38.399 1.00 64.69 ? 212 ILE B O 1 ATOM 4007 C CB . ILE B 1 236 ? -18.582 -31.387 -38.254 1.00 63.04 ? 212 ILE B CB 1 ATOM 4008 C CG1 . ILE B 1 236 ? -17.482 -30.637 -39.004 1.00 62.18 ? 212 ILE B CG1 1 ATOM 4009 C CG2 . ILE B 1 236 ? -19.585 -31.985 -39.215 1.00 64.36 ? 212 ILE B CG2 1 ATOM 4010 C CD1 . ILE B 1 236 ? -16.749 -31.494 -40.012 1.00 61.86 ? 212 ILE B CD1 1 ATOM 4011 N N . GLU B 1 237 ? -19.308 -28.148 -37.950 1.00 61.95 ? 213 GLU B N 1 ATOM 4012 C CA . GLU B 1 237 ? -19.921 -26.930 -38.468 1.00 62.43 ? 213 GLU B CA 1 ATOM 4013 C C . GLU B 1 237 ? -19.246 -26.422 -39.734 1.00 61.31 ? 213 GLU B C 1 ATOM 4014 O O . GLU B 1 237 ? -19.921 -26.063 -40.692 1.00 61.96 ? 213 GLU B O 1 ATOM 4015 C CB . GLU B 1 237 ? -19.912 -25.832 -37.403 1.00 63.24 ? 213 GLU B CB 1 ATOM 4016 C CG . GLU B 1 237 ? -20.861 -26.076 -36.244 1.00 64.34 ? 213 GLU B CG 1 ATOM 4017 C CD . GLU B 1 237 ? -22.311 -25.990 -36.655 1.00 66.13 ? 213 GLU B CD 1 ATOM 4018 O OE1 . GLU B 1 237 ? -23.155 -26.615 -35.984 1.00 67.27 ? 213 GLU B OE1 1 ATOM 4019 O OE2 . GLU B 1 237 ? -22.607 -25.293 -37.646 1.00 66.63 ? 213 GLU B OE2 1 ATOM 4020 N N . LYS B 1 238 ? -17.917 -26.375 -39.727 1.00 59.81 ? 214 LYS B N 1 ATOM 4021 C CA . LYS B 1 238 ? -17.166 -25.944 -40.907 1.00 59.00 ? 214 LYS B CA 1 ATOM 4022 C C . LYS B 1 238 ? -15.929 -26.801 -41.158 1.00 57.62 ? 214 LYS B C 1 ATOM 4023 O O . LYS B 1 238 ? -15.446 -27.496 -40.263 1.00 56.96 ? 214 LYS B O 1 ATOM 4024 C CB . LYS B 1 238 ? -16.747 -24.476 -40.793 1.00 58.92 ? 214 LYS B CB 1 ATOM 4025 C CG . LYS B 1 238 ? -17.875 -23.480 -40.934 1.00 60.51 ? 214 LYS B CG 1 ATOM 4026 C CD . LYS B 1 238 ? -17.368 -22.053 -40.778 1.00 61.56 ? 214 LYS B CD 1 ATOM 4027 C CE . LYS B 1 238 ? -18.510 -21.046 -40.830 1.00 63.88 ? 214 LYS B CE 1 ATOM 4028 N NZ . LYS B 1 238 ? -18.048 -19.650 -40.586 1.00 65.07 ? 214 LYS B NZ 1 ATOM 4029 N N . ALA B 1 239 ? -15.428 -26.741 -42.390 1.00 57.25 ? 215 ALA B N 1 ATOM 4030 C CA . ALA B 1 239 ? -14.160 -27.370 -42.743 1.00 55.61 ? 215 ALA B CA 1 ATOM 4031 C C . ALA B 1 239 ? -13.478 -26.586 -43.855 1.00 55.51 ? 215 ALA B C 1 ATOM 4032 O O . ALA B 1 239 ? -14.059 -26.360 -44.911 1.00 55.91 ? 215 ALA B O 1 ATOM 4033 C CB . ALA B 1 239 ? -14.371 -28.799 -43.162 1.00 55.28 ? 215 ALA B CB 1 ATOM 4034 N N . SER B 1 240 ? -12.238 -26.179 -43.605 1.00 55.32 ? 216 SER B N 1 ATOM 4035 C CA . SER B 1 240 ? -11.481 -25.379 -44.553 1.00 55.88 ? 216 SER B CA 1 ATOM 4036 C C . SER B 1 240 ? -10.225 -26.115 -44.985 1.00 55.51 ? 216 SER B C 1 ATOM 4037 O O . SER B 1 240 ? -9.474 -26.620 -44.150 1.00 54.87 ? 216 SER B O 1 ATOM 4038 C CB . SER B 1 240 ? -11.104 -24.043 -43.924 1.00 56.66 ? 216 SER B CB 1 ATOM 4039 O OG . SER B 1 240 ? -12.242 -23.400 -43.384 1.00 57.43 ? 216 SER B OG 1 ATOM 4040 N N . PHE B 1 241 ? -10.006 -26.166 -46.294 1.00 56.21 ? 217 PHE B N 1 ATOM 4041 C CA . PHE B 1 241 ? -8.848 -26.846 -46.853 1.00 56.46 ? 217 PHE B CA 1 ATOM 4042 C C . PHE B 1 241 ? -8.092 -25.951 -47.831 1.00 57.13 ? 217 PHE B C 1 ATOM 4043 O O . PHE B 1 241 ? -8.699 -25.196 -48.595 1.00 58.12 ? 217 PHE B O 1 ATOM 4044 C CB . PHE B 1 241 ? -9.281 -28.117 -47.585 1.00 57.15 ? 217 PHE B CB 1 ATOM 4045 C CG . PHE B 1 241 ? -10.077 -29.068 -46.742 1.00 57.28 ? 217 PHE B CG 1 ATOM 4046 C CD1 . PHE B 1 241 ? -9.440 -30.008 -45.953 1.00 57.16 ? 217 PHE B CD1 1 ATOM 4047 C CD2 . PHE B 1 241 ? -11.465 -29.040 -46.758 1.00 57.49 ? 217 PHE B CD2 1 ATOM 4048 C CE1 . PHE B 1 241 ? -10.169 -30.891 -45.183 1.00 57.07 ? 217 PHE B CE1 1 ATOM 4049 C CE2 . PHE B 1 241 ? -12.201 -29.922 -45.989 1.00 57.25 ? 217 PHE B CE2 1 ATOM 4050 C CZ . PHE B 1 241 ? -11.553 -30.846 -45.201 1.00 56.99 ? 217 PHE B CZ 1 ATOM 4051 N N . ILE B 1 242 ? -6.767 -26.031 -47.794 1.00 56.64 ? 218 ILE B N 1 ATOM 4052 C CA . ILE B 1 242 ? -5.935 -25.456 -48.839 1.00 57.05 ? 218 ILE B CA 1 ATOM 4053 C C . ILE B 1 242 ? -5.271 -26.635 -49.521 1.00 56.73 ? 218 ILE B C 1 ATOM 4054 O O . ILE B 1 242 ? -4.623 -26.499 -50.558 1.00 57.37 ? 218 ILE B O 1 ATOM 4055 C CB . ILE B 1 242 ? -4.841 -24.542 -48.276 1.00 58.13 ? 218 ILE B CB 1 ATOM 4056 C CG1 . ILE B 1 242 ? -5.350 -23.749 -47.078 1.00 57.22 ? 218 ILE B CG1 1 ATOM 4057 C CG2 . ILE B 1 242 ? -4.317 -23.602 -49.355 1.00 60.35 ? 218 ILE B CG2 1 ATOM 4058 C CD1 . ILE B 1 242 ? -4.258 -22.974 -46.376 1.00 57.92 ? 218 ILE B CD1 1 ATOM 4059 N N . GLU B 1 243 ? -5.456 -27.803 -48.915 1.00 55.78 ? 219 GLU B N 1 ATOM 4060 C CA . GLU B 1 243 ? -4.854 -29.034 -49.397 1.00 55.99 ? 219 GLU B CA 1 ATOM 4061 C C . GLU B 1 243 ? -5.690 -30.240 -48.995 1.00 54.86 ? 219 GLU B C 1 ATOM 4062 O O . GLU B 1 243 ? -6.373 -30.217 -47.973 1.00 53.33 ? 219 GLU B O 1 ATOM 4063 C CB . GLU B 1 243 ? -3.453 -29.186 -48.812 1.00 56.37 ? 219 GLU B CB 1 ATOM 4064 C CG . GLU B 1 243 ? -3.441 -29.415 -47.310 1.00 55.18 ? 219 GLU B CG 1 ATOM 4065 C CD . GLU B 1 243 ? -2.062 -29.717 -46.792 1.00 55.97 ? 219 GLU B CD 1 ATOM 4066 O OE1 . GLU B 1 243 ? -1.126 -29.749 -47.615 1.00 57.20 ? 219 GLU B OE1 1 ATOM 4067 O OE2 . GLU B 1 243 ? -1.918 -29.920 -45.569 1.00 55.51 ? 219 GLU B OE2 1 ATOM 4068 N N . VAL B 1 244 ? -5.629 -31.293 -49.807 1.00 56.10 ? 220 VAL B N 1 ATOM 4069 C CA . VAL B 1 244 ? -6.250 -32.570 -49.461 1.00 56.56 ? 220 VAL B CA 1 ATOM 4070 C C . VAL B 1 244 ? -5.196 -33.676 -49.433 1.00 58.05 ? 220 VAL B C 1 ATOM 4071 O O . VAL B 1 244 ? -4.677 -34.070 -50.476 1.00 59.27 ? 220 VAL B O 1 ATOM 4072 C CB . VAL B 1 244 ? -7.371 -32.954 -50.444 1.00 57.33 ? 220 VAL B CB 1 ATOM 4073 C CG1 . VAL B 1 244 ? -8.024 -34.256 -50.014 1.00 57.62 ? 220 VAL B CG1 1 ATOM 4074 C CG2 . VAL B 1 244 ? -8.409 -31.851 -50.528 1.00 56.65 ? 220 VAL B CG2 1 ATOM 4075 N N . LYS B 1 245 ? -4.884 -34.165 -48.234 1.00 58.26 ? 221 LYS B N 1 ATOM 4076 C CA . LYS B 1 245 ? -3.858 -35.191 -48.057 1.00 59.58 ? 221 LYS B CA 1 ATOM 4077 C C . LYS B 1 245 ? -4.474 -36.544 -47.734 1.00 60.48 ? 221 LYS B C 1 ATOM 4078 O O . LYS B 1 245 ? -5.659 -36.635 -47.420 1.00 58.94 ? 221 LYS B O 1 ATOM 4079 C CB . LYS B 1 245 ? -2.869 -34.781 -46.967 1.00 59.29 ? 221 LYS B CB 1 ATOM 4080 C CG . LYS B 1 245 ? -3.506 -33.998 -45.841 1.00 57.86 ? 221 LYS B CG 1 ATOM 4081 C CD . LYS B 1 245 ? -2.474 -33.513 -44.845 1.00 58.38 ? 221 LYS B CD 1 ATOM 4082 C CE . LYS B 1 245 ? -3.094 -32.539 -43.859 1.00 57.24 ? 221 LYS B CE 1 ATOM 4083 N NZ . LYS B 1 245 ? -2.102 -32.096 -42.848 1.00 57.81 ? 221 LYS B NZ 1 ATOM 4084 N N . ASN B 1 246 ? -3.660 -37.591 -47.815 1.00 63.09 ? 222 ASN B N 1 ATOM 4085 C CA . ASN B 1 246 ? -4.146 -38.955 -47.675 1.00 64.60 ? 222 ASN B CA 1 ATOM 4086 C C . ASN B 1 246 ? -3.561 -39.649 -46.443 1.00 65.77 ? 222 ASN B C 1 ATOM 4087 O O . ASN B 1 246 ? -3.723 -40.858 -46.269 1.00 68.01 ? 222 ASN B O 1 ATOM 4088 C CB . ASN B 1 246 ? -3.837 -39.753 -48.951 1.00 66.16 ? 222 ASN B CB 1 ATOM 4089 C CG . ASN B 1 246 ? -4.696 -40.998 -49.095 1.00 66.39 ? 222 ASN B CG 1 ATOM 4090 O OD1 . ASN B 1 246 ? -5.645 -41.024 -49.879 1.00 66.05 ? 222 ASN B OD1 1 ATOM 4091 N ND2 . ASN B 1 246 ? -4.357 -42.043 -48.349 1.00 67.00 ? 222 ASN B ND2 1 ATOM 4092 N N . CYS B 1 247 ? -2.886 -38.882 -45.590 1.00 64.38 ? 223 CYS B N 1 ATOM 4093 C CA . CYS B 1 247 ? -2.348 -39.423 -44.345 1.00 64.68 ? 223 CYS B CA 1 ATOM 4094 C C . CYS B 1 247 ? -3.468 -39.657 -43.340 1.00 63.68 ? 223 CYS B C 1 ATOM 4095 O O . CYS B 1 247 ? -4.638 -39.468 -43.661 1.00 62.74 ? 223 CYS B O 1 ATOM 4096 C CB . CYS B 1 247 ? -1.259 -38.510 -43.761 1.00 46.61 ? 223 CYS B CB 1 ATOM 4097 S SG . CYS B 1 247 ? -1.688 -36.754 -43.523 1.00 77.51 ? 223 CYS B SG 1 ATOM 4098 N N . HIS B 1 248 ? -3.113 -40.087 -42.134 1.00 64.43 ? 224 HIS B N 1 ATOM 4099 C CA . HIS B 1 248 ? -4.106 -40.277 -41.081 1.00 63.64 ? 224 HIS B CA 1 ATOM 4100 C C . HIS B 1 248 ? -3.915 -39.297 -39.935 1.00 62.39 ? 224 HIS B C 1 ATOM 4101 O O . HIS B 1 248 ? -2.799 -39.089 -39.459 1.00 62.87 ? 224 HIS B O 1 ATOM 4102 C CB . HIS B 1 248 ? -4.074 -41.710 -40.551 1.00 65.40 ? 224 HIS B CB 1 ATOM 4103 C CG . HIS B 1 248 ? -4.660 -42.710 -41.495 1.00 66.74 ? 224 HIS B CG 1 ATOM 4104 N ND1 . HIS B 1 248 ? -4.485 -44.068 -41.345 1.00 68.66 ? 224 HIS B ND1 1 ATOM 4105 C CD2 . HIS B 1 248 ? -5.424 -42.548 -42.603 1.00 66.54 ? 224 HIS B CD2 1 ATOM 4106 C CE1 . HIS B 1 248 ? -5.110 -44.699 -42.322 1.00 69.78 ? 224 HIS B CE1 1 ATOM 4107 N NE2 . HIS B 1 248 ? -5.688 -43.800 -43.099 1.00 68.35 ? 224 HIS B NE2 1 ATOM 4108 N N . TRP B 1 249 ? -5.016 -38.695 -39.501 1.00 60.91 ? 225 TRP B N 1 ATOM 4109 C CA . TRP B 1 249 ? -4.982 -37.758 -38.391 1.00 59.61 ? 225 TRP B CA 1 ATOM 4110 C C . TRP B 1 249 ? -4.804 -38.539 -37.094 1.00 59.37 ? 225 TRP B C 1 ATOM 4111 O O . TRP B 1 249 ? -5.673 -39.324 -36.714 1.00 59.52 ? 225 TRP B O 1 ATOM 4112 C CB . TRP B 1 249 ? -6.267 -36.926 -38.354 1.00 58.64 ? 225 TRP B CB 1 ATOM 4113 C CG . TRP B 1 249 ? -6.179 -35.727 -37.465 1.00 58.27 ? 225 TRP B CG 1 ATOM 4114 C CD1 . TRP B 1 249 ? -6.074 -35.727 -36.111 1.00 58.88 ? 225 TRP B CD1 1 ATOM 4115 C CD2 . TRP B 1 249 ? -6.192 -34.350 -37.867 1.00 57.61 ? 225 TRP B CD2 1 ATOM 4116 N NE1 . TRP B 1 249 ? -6.018 -34.438 -35.641 1.00 58.39 ? 225 TRP B NE1 1 ATOM 4117 C CE2 . TRP B 1 249 ? -6.090 -33.574 -36.701 1.00 57.43 ? 225 TRP B CE2 1 ATOM 4118 C CE3 . TRP B 1 249 ? -6.282 -33.700 -39.100 1.00 57.57 ? 225 TRP B CE3 1 ATOM 4119 C CZ2 . TRP B 1 249 ? -6.074 -32.181 -36.729 1.00 56.88 ? 225 TRP B CZ2 1 ATOM 4120 C CZ3 . TRP B 1 249 ? -6.265 -32.320 -39.127 1.00 57.12 ? 225 TRP B CZ3 1 ATOM 4121 C CH2 . TRP B 1 249 ? -6.162 -31.575 -37.951 1.00 56.86 ? 225 TRP B CH2 1 ATOM 4122 N N . PRO B 1 250 ? -3.663 -38.335 -36.417 1.00 58.92 ? 226 PRO B N 1 ATOM 4123 C CA . PRO B 1 250 ? -3.317 -39.097 -35.211 1.00 59.53 ? 226 PRO B CA 1 ATOM 4124 C C . PRO B 1 250 ? -4.314 -38.889 -34.075 1.00 58.37 ? 226 PRO B C 1 ATOM 4125 O O . PRO B 1 250 ? -5.032 -37.891 -34.063 1.00 57.07 ? 226 PRO B O 1 ATOM 4126 C CB . PRO B 1 250 ? -1.944 -38.539 -34.824 1.00 60.33 ? 226 PRO B CB 1 ATOM 4127 C CG . PRO B 1 250 ? -1.878 -37.200 -35.468 1.00 59.40 ? 226 PRO B CG 1 ATOM 4128 C CD . PRO B 1 250 ? -2.637 -37.332 -36.748 1.00 58.69 ? 226 PRO B CD 1 ATOM 4129 N N . LYS B 1 251 ? -4.350 -39.831 -33.137 1.00 58.73 ? 227 LYS B N 1 ATOM 4130 C CA . LYS B 1 251 ? -5.333 -39.816 -32.058 1.00 57.14 ? 227 LYS B CA 1 ATOM 4131 C C . LYS B 1 251 ? -4.889 -38.949 -30.886 1.00 56.82 ? 227 LYS B C 1 ATOM 4132 O O . LYS B 1 251 ? -5.702 -38.555 -30.057 1.00 56.39 ? 227 LYS B O 1 ATOM 4133 C CB . LYS B 1 251 ? -5.576 -41.239 -31.564 1.00 57.88 ? 227 LYS B CB 1 ATOM 4134 C CG . LYS B 1 251 ? -5.959 -42.222 -32.645 1.00 57.83 ? 227 LYS B CG 1 ATOM 4135 C CD . LYS B 1 251 ? -7.447 -42.469 -32.625 1.00 56.85 ? 227 LYS B CD 1 ATOM 4136 C CE . LYS B 1 251 ? -7.830 -43.608 -33.538 1.00 57.67 ? 227 LYS B CE 1 ATOM 4137 N NZ . LYS B 1 251 ? -9.288 -43.845 -33.445 1.00 57.49 ? 227 LYS B NZ 1 ATOM 4138 N N . SER B 1 252 ? -3.593 -38.667 -30.820 1.00 57.22 ? 228 SER B N 1 ATOM 4139 C CA . SER B 1 252 ? -3.038 -37.904 -29.712 1.00 56.80 ? 228 SER B CA 1 ATOM 4140 C C . SER B 1 252 ? -3.499 -36.464 -29.787 1.00 54.16 ? 228 SER B C 1 ATOM 4141 O O . SER B 1 252 ? -3.591 -35.773 -28.778 1.00 53.96 ? 228 SER B O 1 ATOM 4142 C CB . SER B 1 252 ? -1.513 -37.975 -29.728 1.00 58.79 ? 228 SER B CB 1 ATOM 4143 O OG . SER B 1 252 ? -0.994 -37.625 -30.994 1.00 58.78 ? 228 SER B OG 1 ATOM 4144 N N . HIS B 1 253 ? -3.804 -36.029 -31.001 1.00 52.64 ? 229 HIS B N 1 ATOM 4145 C CA . HIS B 1 253 ? -4.218 -34.662 -31.242 1.00 51.08 ? 229 HIS B CA 1 ATOM 4146 C C . HIS B 1 253 ? -5.678 -34.633 -31.649 1.00 48.89 ? 229 HIS B C 1 ATOM 4147 O O . HIS B 1 253 ? -6.087 -33.784 -32.432 1.00 47.05 ? 229 HIS B O 1 ATOM 4148 C CB . HIS B 1 253 ? -3.368 -34.042 -32.353 1.00 51.64 ? 229 HIS B CB 1 ATOM 4149 C CG . HIS B 1 253 ? -1.901 -33.997 -32.044 1.00 53.53 ? 229 HIS B CG 1 ATOM 4150 N ND1 . HIS B 1 253 ? -1.154 -35.131 -31.798 1.00 54.99 ? 229 HIS B ND1 1 ATOM 4151 C CD2 . HIS B 1 253 ? -1.041 -32.954 -31.958 1.00 54.33 ? 229 HIS B CD2 1 ATOM 4152 C CE1 . HIS B 1 253 ? 0.100 -34.787 -31.566 1.00 56.48 ? 229 HIS B CE1 1 ATOM 4153 N NE2 . HIS B 1 253 ? 0.195 -33.472 -31.659 1.00 56.11 ? 229 HIS B NE2 1 ATOM 4154 N N . THR B 1 254 ? -6.459 -35.566 -31.114 1.00 49.26 ? 230 THR B N 1 ATOM 4155 C CA . THR B 1 254 ? -7.864 -35.690 -31.489 1.00 48.59 ? 230 THR B CA 1 ATOM 4156 C C . THR B 1 254 ? -8.771 -35.570 -30.264 1.00 48.31 ? 230 THR B C 1 ATOM 4157 O O . THR B 1 254 ? -8.407 -36.003 -29.174 1.00 49.41 ? 230 THR B O 1 ATOM 4158 C CB . THR B 1 254 ? -8.129 -37.027 -32.208 1.00 49.10 ? 230 THR B CB 1 ATOM 4159 O OG1 . THR B 1 254 ? -7.062 -37.301 -33.124 1.00 49.27 ? 230 THR B OG1 1 ATOM 4160 C CG2 . THR B 1 254 ? -9.441 -36.982 -32.972 1.00 48.70 ? 230 THR B CG2 1 ATOM 4161 N N . LEU B 1 255 ? -9.946 -34.973 -30.451 1.00 47.67 ? 231 LEU B N 1 ATOM 4162 C CA . LEU B 1 255 ? -10.919 -34.816 -29.375 1.00 48.91 ? 231 LEU B CA 1 ATOM 4163 C C . LEU B 1 255 ? -12.065 -35.797 -29.555 1.00 50.69 ? 231 LEU B C 1 ATOM 4164 O O . LEU B 1 255 ? -12.553 -35.971 -30.663 1.00 51.11 ? 231 LEU B O 1 ATOM 4165 C CB . LEU B 1 255 ? -11.478 -33.397 -29.378 1.00 39.17 ? 231 LEU B CB 1 ATOM 4166 C CG . LEU B 1 255 ? -10.497 -32.276 -29.063 1.00 39.11 ? 231 LEU B CG 1 ATOM 4167 C CD1 . LEU B 1 255 ? -10.860 -31.030 -29.833 1.00 38.59 ? 231 LEU B CD1 1 ATOM 4168 C CD2 . LEU B 1 255 ? -10.505 -32.000 -27.588 1.00 40.02 ? 231 LEU B CD2 1 ATOM 4169 N N . TRP B 1 256 ? -12.486 -36.434 -28.466 1.00 52.49 ? 232 TRP B N 1 ATOM 4170 C CA . TRP B 1 256 ? -13.647 -37.321 -28.483 1.00 53.91 ? 232 TRP B CA 1 ATOM 4171 C C . TRP B 1 256 ? -13.455 -38.496 -29.439 1.00 54.85 ? 232 TRP B C 1 ATOM 4172 O O . TRP B 1 256 ? -14.324 -38.783 -30.264 1.00 55.99 ? 232 TRP B O 1 ATOM 4173 C CB . TRP B 1 256 ? -14.903 -36.532 -28.859 1.00 53.33 ? 232 TRP B CB 1 ATOM 4174 C CG . TRP B 1 256 ? -16.149 -37.063 -28.255 1.00 54.17 ? 232 TRP B CG 1 ATOM 4175 C CD1 . TRP B 1 256 ? -16.295 -38.232 -27.579 1.00 55.32 ? 232 TRP B CD1 1 ATOM 4176 C CD2 . TRP B 1 256 ? -17.436 -36.437 -28.258 1.00 54.06 ? 232 TRP B CD2 1 ATOM 4177 N NE1 . TRP B 1 256 ? -17.593 -38.377 -27.165 1.00 56.49 ? 232 TRP B NE1 1 ATOM 4178 C CE2 . TRP B 1 256 ? -18.314 -37.286 -27.570 1.00 55.64 ? 232 TRP B CE2 1 ATOM 4179 C CE3 . TRP B 1 256 ? -17.929 -35.240 -28.782 1.00 53.09 ? 232 TRP B CE3 1 ATOM 4180 C CZ2 . TRP B 1 256 ? -19.657 -36.978 -27.392 1.00 56.72 ? 232 TRP B CZ2 1 ATOM 4181 C CZ3 . TRP B 1 256 ? -19.257 -34.937 -28.601 1.00 54.09 ? 232 TRP B CZ3 1 ATOM 4182 C CH2 . TRP B 1 256 ? -20.107 -35.800 -27.915 1.00 55.99 ? 232 TRP B CH2 1 ATOM 4183 N N . SER B 1 257 ? -12.320 -39.178 -29.314 1.00 54.51 ? 233 SER B N 1 ATOM 4184 C CA . SER B 1 257 ? -11.968 -40.261 -30.227 1.00 54.02 ? 233 SER B CA 1 ATOM 4185 C C . SER B 1 257 ? -12.535 -41.608 -29.791 1.00 54.84 ? 233 SER B C 1 ATOM 4186 O O . SER B 1 257 ? -12.076 -42.653 -30.238 1.00 55.50 ? 233 SER B O 1 ATOM 4187 C CB . SER B 1 257 ? -10.449 -40.354 -30.380 1.00 54.11 ? 233 SER B CB 1 ATOM 4188 O OG . SER B 1 257 ? -9.800 -40.345 -29.123 1.00 54.88 ? 233 SER B OG 1 ATOM 4189 N N . ASN B 1 258 ? -13.540 -41.570 -28.924 1.00 55.20 ? 234 ASN B N 1 ATOM 4190 C CA . ASN B 1 258 ? -14.131 -42.787 -28.385 1.00 56.95 ? 234 ASN B CA 1 ATOM 4191 C C . ASN B 1 258 ? -15.454 -43.162 -29.047 1.00 57.60 ? 234 ASN B C 1 ATOM 4192 O O . ASN B 1 258 ? -16.399 -42.372 -29.060 1.00 57.42 ? 234 ASN B O 1 ATOM 4193 C CB . ASN B 1 258 ? -14.318 -42.660 -26.871 1.00 56.97 ? 234 ASN B CB 1 ATOM 4194 C CG . ASN B 1 258 ? -14.977 -41.354 -26.472 1.00 55.15 ? 234 ASN B CG 1 ATOM 4195 O OD1 . ASN B 1 258 ? -14.299 -40.374 -26.182 1.00 53.55 ? 234 ASN B OD1 1 ATOM 4196 N ND2 . ASN B 1 258 ? -16.303 -41.337 -26.448 1.00 55.47 ? 234 ASN B ND2 1 ATOM 4197 N N . GLY B 1 259 ? -15.513 -44.375 -29.589 1.00 58.36 ? 235 GLY B N 1 ATOM 4198 C CA . GLY B 1 259 ? -16.718 -44.855 -30.234 1.00 59.57 ? 235 GLY B CA 1 ATOM 4199 C C . GLY B 1 259 ? -16.997 -44.102 -31.510 1.00 58.57 ? 235 GLY B C 1 ATOM 4200 O O . GLY B 1 259 ? -18.093 -43.586 -31.717 1.00 59.10 ? 235 GLY B O 1 ATOM 4201 N N . VAL B 1 260 ? -15.994 -44.039 -32.372 1.00 57.48 ? 236 VAL B N 1 ATOM 4202 C CA . VAL B 1 260 ? -16.127 -43.275 -33.595 1.00 47.64 ? 236 VAL B CA 1 ATOM 4203 C C . VAL B 1 260 ? -16.311 -44.176 -34.814 1.00 57.08 ? 236 VAL B C 1 ATOM 4204 O O . VAL B 1 260 ? -15.383 -44.856 -35.251 1.00 57.39 ? 236 VAL B O 1 ATOM 4205 C CB . VAL B 1 260 ? -14.946 -42.318 -33.788 1.00 51.97 ? 236 VAL B CB 1 ATOM 4206 C CG1 . VAL B 1 260 ? -15.137 -41.507 -35.037 1.00 44.50 ? 236 VAL B CG1 1 ATOM 4207 C CG2 . VAL B 1 260 ? -14.820 -41.399 -32.586 1.00 50.90 ? 236 VAL B CG2 1 ATOM 4208 N N . LEU B 1 261 ? -17.531 -44.174 -35.345 1.00 58.08 ? 237 LEU B N 1 ATOM 4209 C CA . LEU B 1 261 ? -17.879 -44.941 -36.535 1.00 59.38 ? 237 LEU B CA 1 ATOM 4210 C C . LEU B 1 261 ? -17.294 -44.273 -37.772 1.00 58.13 ? 237 LEU B C 1 ATOM 4211 O O . LEU B 1 261 ? -17.708 -43.177 -38.142 1.00 56.76 ? 237 LEU B O 1 ATOM 4212 C CB . LEU B 1 261 ? -19.402 -45.039 -36.694 1.00 60.20 ? 237 LEU B CB 1 ATOM 4213 C CG . LEU B 1 261 ? -20.289 -45.669 -35.615 1.00 61.60 ? 237 LEU B CG 1 ATOM 4214 C CD1 . LEU B 1 261 ? -20.476 -44.749 -34.421 1.00 60.26 ? 237 LEU B CD1 1 ATOM 4215 C CD2 . LEU B 1 261 ? -21.644 -46.049 -36.192 1.00 63.64 ? 237 LEU B CD2 1 ATOM 4216 N N . GLU B 1 262 ? -16.347 -44.944 -38.420 1.00 68.74 ? 238 GLU B N 1 ATOM 4217 C CA . GLU B 1 262 ? -15.727 -44.418 -39.630 1.00 68.25 ? 238 GLU B CA 1 ATOM 4218 C C . GLU B 1 262 ? -16.744 -44.216 -40.747 1.00 68.31 ? 238 GLU B C 1 ATOM 4219 O O . GLU B 1 262 ? -16.479 -43.520 -41.720 1.00 67.23 ? 238 GLU B O 1 ATOM 4220 C CB . GLU B 1 262 ? -14.615 -45.349 -40.098 1.00 69.54 ? 238 GLU B CB 1 ATOM 4221 C CG . GLU B 1 262 ? -13.575 -45.639 -39.034 1.00 70.18 ? 238 GLU B CG 1 ATOM 4222 C CD . GLU B 1 262 ? -12.350 -46.321 -39.600 1.00 71.32 ? 238 GLU B CD 1 ATOM 4223 O OE1 . GLU B 1 262 ? -12.280 -46.487 -40.836 1.00 71.62 ? 238 GLU B OE1 1 ATOM 4224 O OE2 . GLU B 1 262 ? -11.459 -46.689 -38.808 1.00 71.74 ? 238 GLU B OE2 1 ATOM 4225 N N . SER B 1 263 ? -17.906 -44.838 -40.602 1.00 69.60 ? 239 SER B N 1 ATOM 4226 C CA . SER B 1 263 ? -18.994 -44.648 -41.543 1.00 69.76 ? 239 SER B CA 1 ATOM 4227 C C . SER B 1 263 ? -19.757 -43.374 -41.207 1.00 69.00 ? 239 SER B C 1 ATOM 4228 O O . SER B 1 263 ? -20.539 -42.881 -42.013 1.00 69.07 ? 239 SER B O 1 ATOM 4229 C CB . SER B 1 263 ? -19.934 -45.853 -41.516 1.00 71.16 ? 239 SER B CB 1 ATOM 4230 O OG . SER B 1 263 ? -20.324 -46.174 -40.194 1.00 71.52 ? 239 SER B OG 1 ATOM 4231 N N . GLU B 1 264 ? -19.513 -42.842 -40.015 1.00 68.48 ? 240 GLU B N 1 ATOM 4232 C CA . GLU B 1 264 ? -20.201 -41.643 -39.553 1.00 68.19 ? 240 GLU B CA 1 ATOM 4233 C C . GLU B 1 264 ? -19.304 -40.420 -39.640 1.00 66.41 ? 240 GLU B C 1 ATOM 4234 O O . GLU B 1 264 ? -19.792 -39.292 -39.706 1.00 65.82 ? 240 GLU B O 1 ATOM 4235 C CB . GLU B 1 264 ? -20.672 -41.824 -38.111 1.00 69.67 ? 240 GLU B CB 1 ATOM 4236 C CG . GLU B 1 264 ? -21.878 -42.716 -37.951 1.00 71.96 ? 240 GLU B CG 1 ATOM 4237 C CD . GLU B 1 264 ? -23.162 -42.035 -38.362 1.00 72.51 ? 240 GLU B CD 1 ATOM 4238 O OE1 . GLU B 1 264 ? -23.228 -40.789 -38.281 1.00 71.11 ? 240 GLU B OE1 1 ATOM 4239 O OE2 . GLU B 1 264 ? -24.106 -42.750 -38.762 1.00 74.08 ? 240 GLU B OE2 1 ATOM 4240 N N . MET B 1 265 ? -17.994 -40.654 -39.612 1.00 65.53 ? 241 MET B N 1 ATOM 4241 C CA . MET B 1 265 ? -17.008 -39.593 -39.785 1.00 63.10 ? 241 MET B CA 1 ATOM 4242 C C . MET B 1 265 ? -17.177 -39.001 -41.158 1.00 61.96 ? 241 MET B C 1 ATOM 4243 O O . MET B 1 265 ? -16.851 -39.646 -42.137 1.00 55.44 ? 241 MET B O 1 ATOM 4244 C CB . MET B 1 265 ? -15.595 -40.157 -39.716 1.00 62.95 ? 241 MET B CB 1 ATOM 4245 C CG . MET B 1 265 ? -15.159 -40.645 -38.368 1.00 63.31 ? 241 MET B CG 1 ATOM 4246 S SD . MET B 1 265 ? -13.698 -41.692 -38.496 1.00 56.16 ? 241 MET B SD 1 ATOM 4247 C CE . MET B 1 265 ? -12.742 -40.786 -39.702 1.00 55.14 ? 241 MET B CE 1 ATOM 4248 N N . ILE B 1 266 ? -17.670 -37.773 -41.231 1.00 60.74 ? 242 ILE B N 1 ATOM 4249 C CA . ILE B 1 266 ? -17.841 -37.097 -42.512 1.00 60.14 ? 242 ILE B CA 1 ATOM 4250 C C . ILE B 1 266 ? -16.553 -37.067 -43.327 1.00 59.85 ? 242 ILE B C 1 ATOM 4251 O O . ILE B 1 266 ? -16.495 -37.601 -44.429 1.00 60.33 ? 242 ILE B O 1 ATOM 4252 C CB . ILE B 1 266 ? -18.321 -35.666 -42.317 1.00 58.52 ? 242 ILE B CB 1 ATOM 4253 C CG1 . ILE B 1 266 ? -19.732 -35.664 -41.744 1.00 58.72 ? 242 ILE B CG1 1 ATOM 4254 C CG2 . ILE B 1 266 ? -18.305 -34.923 -43.632 1.00 57.86 ? 242 ILE B CG2 1 ATOM 4255 C CD1 . ILE B 1 266 ? -20.358 -34.319 -41.779 1.00 57.84 ? 242 ILE B CD1 1 ATOM 4256 N N . ILE B 1 267 ? -15.526 -36.435 -42.777 1.00 59.11 ? 243 ILE B N 1 ATOM 4257 C CA . ILE B 1 267 ? -14.234 -36.402 -43.435 1.00 58.89 ? 243 ILE B CA 1 ATOM 4258 C C . ILE B 1 267 ? -13.557 -37.754 -43.268 1.00 60.20 ? 243 ILE B C 1 ATOM 4259 O O . ILE B 1 267 ? -13.211 -38.142 -42.152 1.00 60.19 ? 243 ILE B O 1 ATOM 4260 C CB . ILE B 1 267 ? -13.337 -35.294 -42.866 1.00 57.44 ? 243 ILE B CB 1 ATOM 4261 C CG1 . ILE B 1 267 ? -14.073 -33.956 -42.887 1.00 56.61 ? 243 ILE B CG1 1 ATOM 4262 C CG2 . ILE B 1 267 ? -12.057 -35.193 -43.664 1.00 57.01 ? 243 ILE B CG2 1 ATOM 4263 C CD1 . ILE B 1 267 ? -13.271 -32.807 -42.328 1.00 55.39 ? 243 ILE B CD1 1 ATOM 4264 N N . PRO B 1 268 ? -13.372 -38.474 -44.385 1.00 61.36 ? 244 PRO B N 1 ATOM 4265 C CA . PRO B 1 268 ? -12.823 -39.832 -44.433 1.00 62.99 ? 244 PRO B CA 1 ATOM 4266 C C . PRO B 1 268 ? -11.538 -39.992 -43.638 1.00 63.53 ? 244 PRO B C 1 ATOM 4267 O O . PRO B 1 268 ? -10.724 -39.074 -43.585 1.00 62.30 ? 244 PRO B O 1 ATOM 4268 C CB . PRO B 1 268 ? -12.539 -40.031 -45.920 1.00 62.82 ? 244 PRO B CB 1 ATOM 4269 C CG . PRO B 1 268 ? -13.542 -39.190 -46.593 1.00 62.19 ? 244 PRO B CG 1 ATOM 4270 C CD . PRO B 1 268 ? -13.679 -37.968 -45.734 1.00 61.11 ? 244 PRO B CD 1 ATOM 4271 N N . LYS B 1 269 ? -11.374 -41.159 -43.026 1.00 65.32 ? 245 LYS B N 1 ATOM 4272 C CA . LYS B 1 269 ? -10.199 -41.447 -42.219 1.00 66.05 ? 245 LYS B CA 1 ATOM 4273 C C . LYS B 1 269 ? -8.923 -41.358 -43.048 1.00 66.10 ? 245 LYS B C 1 ATOM 4274 O O . LYS B 1 269 ? -7.924 -40.789 -42.606 1.00 65.09 ? 245 LYS B O 1 ATOM 4275 C CB . LYS B 1 269 ? -10.327 -42.833 -41.586 1.00 67.57 ? 245 LYS B CB 1 ATOM 4276 C CG . LYS B 1 269 ? -9.069 -43.312 -40.894 1.00 67.63 ? 245 LYS B CG 1 ATOM 4277 C CD . LYS B 1 269 ? -9.235 -44.717 -40.362 1.00 69.03 ? 245 LYS B CD 1 ATOM 4278 C CE . LYS B 1 269 ? -7.960 -45.198 -39.696 1.00 69.14 ? 245 LYS B CE 1 ATOM 4279 N NZ . LYS B 1 269 ? -8.131 -46.541 -39.080 1.00 70.69 ? 245 LYS B NZ 1 ATOM 4280 N N . ASN B 1 270 ? -8.970 -41.908 -44.257 1.00 67.33 ? 246 ASN B N 1 ATOM 4281 C CA . ASN B 1 270 ? -7.813 -41.902 -45.141 1.00 68.02 ? 246 ASN B CA 1 ATOM 4282 C C . ASN B 1 270 ? -7.545 -40.543 -45.776 1.00 67.11 ? 246 ASN B C 1 ATOM 4283 O O . ASN B 1 270 ? -6.616 -40.397 -46.559 1.00 67.20 ? 246 ASN B O 1 ATOM 4284 C CB . ASN B 1 270 ? -7.965 -42.965 -46.228 1.00 69.63 ? 246 ASN B CB 1 ATOM 4285 C CG . ASN B 1 270 ? -7.715 -44.362 -45.711 1.00 71.53 ? 246 ASN B CG 1 ATOM 4286 O OD1 . ASN B 1 270 ? -7.711 -44.597 -44.506 1.00 71.79 ? 246 ASN B OD1 1 ATOM 4287 N ND2 . ASN B 1 270 ? -7.505 -45.302 -46.625 1.00 72.93 ? 246 ASN B ND2 1 ATOM 4288 N N . LEU B 1 271 ? -8.368 -39.556 -45.441 1.00 66.35 ? 247 LEU B N 1 ATOM 4289 C CA . LEU B 1 271 ? -8.154 -38.195 -45.904 1.00 65.64 ? 247 LEU B CA 1 ATOM 4290 C C . LEU B 1 271 ? -7.747 -37.301 -44.740 1.00 64.98 ? 247 LEU B C 1 ATOM 4291 O O . LEU B 1 271 ? -8.146 -36.140 -44.674 1.00 64.39 ? 247 LEU B O 1 ATOM 4292 C CB . LEU B 1 271 ? -9.419 -37.640 -46.555 1.00 65.17 ? 247 LEU B CB 1 ATOM 4293 C CG . LEU B 1 271 ? -9.860 -38.247 -47.880 1.00 65.78 ? 247 LEU B CG 1 ATOM 4294 C CD1 . LEU B 1 271 ? -10.867 -37.334 -48.552 1.00 65.14 ? 247 LEU B CD1 1 ATOM 4295 C CD2 . LEU B 1 271 ? -8.669 -38.487 -48.779 1.00 53.87 ? 247 LEU B CD2 1 ATOM 4296 N N . ALA B 1 272 ? -6.958 -37.858 -43.825 1.00 65.06 ? 248 ALA B N 1 ATOM 4297 C CA . ALA B 1 272 ? -6.541 -37.166 -42.606 1.00 63.68 ? 248 ALA B CA 1 ATOM 4298 C C . ALA B 1 272 ? -7.718 -36.624 -41.802 1.00 62.54 ? 248 ALA B C 1 ATOM 4299 O O . ALA B 1 272 ? -7.570 -35.672 -41.044 1.00 60.45 ? 248 ALA B O 1 ATOM 4300 C CB . ALA B 1 272 ? -5.559 -36.056 -42.929 1.00 62.71 ? 248 ALA B CB 1 ATOM 4301 N N . GLY B 1 273 ? -8.883 -37.240 -41.968 1.00 63.86 ? 249 GLY B N 1 ATOM 4302 C CA . GLY B 1 273 ? -10.066 -36.831 -41.239 1.00 63.50 ? 249 GLY B CA 1 ATOM 4303 C C . GLY B 1 273 ? -10.014 -37.251 -39.786 1.00 63.09 ? 249 GLY B C 1 ATOM 4304 O O . GLY B 1 273 ? -9.769 -38.422 -39.486 1.00 64.50 ? 249 GLY B O 1 ATOM 4305 N N . PRO B 1 274 ? -10.242 -36.294 -38.876 1.00 60.57 ? 250 PRO B N 1 ATOM 4306 C CA . PRO B 1 274 ? -10.224 -36.546 -37.435 1.00 50.58 ? 250 PRO B CA 1 ATOM 4307 C C . PRO B 1 274 ? -11.202 -37.647 -37.052 1.00 59.01 ? 250 PRO B C 1 ATOM 4308 O O . PRO B 1 274 ? -12.397 -37.555 -37.351 1.00 59.41 ? 250 PRO B O 1 ATOM 4309 C CB . PRO B 1 274 ? -10.692 -35.213 -36.849 1.00 49.48 ? 250 PRO B CB 1 ATOM 4310 C CG . PRO B 1 274 ? -10.343 -34.217 -37.860 1.00 48.75 ? 250 PRO B CG 1 ATOM 4311 C CD . PRO B 1 274 ? -10.533 -34.884 -39.179 1.00 49.51 ? 250 PRO B CD 1 ATOM 4312 N N . VAL B 1 275 ? -10.690 -38.684 -36.404 1.00 59.13 ? 251 VAL B N 1 ATOM 4313 C CA . VAL B 1 275 ? -11.545 -39.748 -35.908 1.00 59.66 ? 251 VAL B CA 1 ATOM 4314 C C . VAL B 1 275 ? -12.232 -39.253 -34.638 1.00 57.97 ? 251 VAL B C 1 ATOM 4315 O O . VAL B 1 275 ? -11.703 -39.359 -33.534 1.00 57.38 ? 251 VAL B O 1 ATOM 4316 C CB . VAL B 1 275 ? -10.749 -41.059 -35.712 1.00 60.87 ? 251 VAL B CB 1 ATOM 4317 C CG1 . VAL B 1 275 ? -9.452 -40.790 -34.977 1.00 60.65 ? 251 VAL B CG1 1 ATOM 4318 C CG2 . VAL B 1 275 ? -11.588 -42.121 -35.019 1.00 61.63 ? 251 VAL B CG2 1 ATOM 4319 N N . SER B 1 276 ? -13.413 -38.674 -34.815 1.00 57.29 ? 252 SER B N 1 ATOM 4320 C CA . SER B 1 276 ? -14.079 -37.997 -33.713 1.00 56.75 ? 252 SER B CA 1 ATOM 4321 C C . SER B 1 276 ? -15.573 -37.820 -33.918 1.00 56.94 ? 252 SER B C 1 ATOM 4322 O O . SER B 1 276 ? -16.060 -37.788 -35.043 1.00 57.06 ? 252 SER B O 1 ATOM 4323 C CB . SER B 1 276 ? -13.455 -36.623 -33.500 1.00 55.51 ? 252 SER B CB 1 ATOM 4324 O OG . SER B 1 276 ? -14.151 -35.910 -32.493 1.00 55.43 ? 252 SER B OG 1 ATOM 4325 N N . GLN B 1 277 ? -16.290 -37.682 -32.809 1.00 56.82 ? 253 GLN B N 1 ATOM 4326 C CA . GLN B 1 277 ? -17.705 -37.366 -32.854 1.00 57.06 ? 253 GLN B CA 1 ATOM 4327 C C . GLN B 1 277 ? -17.875 -35.864 -33.032 1.00 55.37 ? 253 GLN B C 1 ATOM 4328 O O . GLN B 1 277 ? -18.984 -35.339 -32.967 1.00 55.34 ? 253 GLN B O 1 ATOM 4329 C CB . GLN B 1 277 ? -18.401 -37.832 -31.578 1.00 58.07 ? 253 GLN B CB 1 ATOM 4330 C CG . GLN B 1 277 ? -18.066 -39.253 -31.179 1.00 59.57 ? 253 GLN B CG 1 ATOM 4331 C CD . GLN B 1 277 ? -19.001 -39.789 -30.120 1.00 60.89 ? 253 GLN B CD 1 ATOM 4332 O OE1 . GLN B 1 277 ? -20.055 -39.212 -29.858 1.00 61.08 ? 253 GLN B OE1 1 ATOM 4333 N NE2 . GLN B 1 277 ? -18.623 -40.900 -29.506 1.00 61.86 ? 253 GLN B NE2 1 ATOM 4334 N N . HIS B 1 278 ? -16.758 -35.176 -33.235 1.00 53.95 ? 254 HIS B N 1 ATOM 4335 C CA . HIS B 1 278 ? -16.782 -33.796 -33.683 1.00 53.04 ? 254 HIS B CA 1 ATOM 4336 C C . HIS B 1 278 ? -16.790 -33.799 -35.207 1.00 53.68 ? 254 HIS B C 1 ATOM 4337 O O . HIS B 1 278 ? -17.034 -32.777 -35.839 1.00 53.37 ? 254 HIS B O 1 ATOM 4338 C CB . HIS B 1 278 ? -15.559 -33.034 -33.172 1.00 52.00 ? 254 HIS B CB 1 ATOM 4339 C CG . HIS B 1 278 ? -15.563 -32.788 -31.693 1.00 51.48 ? 254 HIS B CG 1 ATOM 4340 N ND1 . HIS B 1 278 ? -16.222 -31.723 -31.116 1.00 50.54 ? 254 HIS B ND1 1 ATOM 4341 C CD2 . HIS B 1 278 ? -14.965 -33.456 -30.677 1.00 51.70 ? 254 HIS B CD2 1 ATOM 4342 C CE1 . HIS B 1 278 ? -16.044 -31.756 -29.807 1.00 50.51 ? 254 HIS B CE1 1 ATOM 4343 N NE2 . HIS B 1 278 ? -15.284 -32.797 -29.515 1.00 51.20 ? 254 HIS B NE2 1 ATOM 4344 N N . ASN B 1 279 ? -16.517 -34.965 -35.786 1.00 54.75 ? 255 ASN B N 1 ATOM 4345 C CA . ASN B 1 279 ? -16.547 -35.156 -37.232 1.00 51.22 ? 255 ASN B CA 1 ATOM 4346 C C . ASN B 1 279 ? -17.854 -35.837 -37.636 1.00 59.76 ? 255 ASN B C 1 ATOM 4347 O O . ASN B 1 279 ? -17.911 -36.565 -38.624 1.00 52.99 ? 255 ASN B O 1 ATOM 4348 C CB . ASN B 1 279 ? -15.339 -35.996 -37.667 1.00 51.50 ? 255 ASN B CB 1 ATOM 4349 C CG . ASN B 1 279 ? -15.083 -35.945 -39.163 1.00 51.52 ? 255 ASN B CG 1 ATOM 4350 O OD1 . ASN B 1 279 ? -15.830 -35.329 -39.919 1.00 53.09 ? 255 ASN B OD1 1 ATOM 4351 N ND2 . ASN B 1 279 ? -14.011 -36.594 -39.594 1.00 51.77 ? 255 ASN B ND2 1 ATOM 4352 N N . TYR B 1 280 ? -18.903 -35.592 -36.856 1.00 60.00 ? 256 TYR B N 1 ATOM 4353 C CA . TYR B 1 280 ? -20.210 -36.193 -37.104 1.00 61.31 ? 256 TYR B CA 1 ATOM 4354 C C . TYR B 1 280 ? -21.235 -35.163 -37.551 1.00 61.22 ? 256 TYR B C 1 ATOM 4355 O O . TYR B 1 280 ? -21.081 -33.969 -37.296 1.00 60.39 ? 256 TYR B O 1 ATOM 4356 C CB . TYR B 1 280 ? -20.738 -36.878 -35.845 1.00 62.06 ? 256 TYR B CB 1 ATOM 4357 C CG . TYR B 1 280 ? -20.173 -38.251 -35.596 1.00 63.33 ? 256 TYR B CG 1 ATOM 4358 C CD1 . TYR B 1 280 ? -19.077 -38.713 -36.306 1.00 63.42 ? 256 TYR B CD1 1 ATOM 4359 C CD2 . TYR B 1 280 ? -20.749 -39.093 -34.659 1.00 64.68 ? 256 TYR B CD2 1 ATOM 4360 C CE1 . TYR B 1 280 ? -18.562 -39.967 -36.080 1.00 64.49 ? 256 TYR B CE1 1 ATOM 4361 C CE2 . TYR B 1 280 ? -20.243 -40.353 -34.429 1.00 65.81 ? 256 TYR B CE2 1 ATOM 4362 C CZ . TYR B 1 280 ? -19.150 -40.782 -35.141 1.00 65.79 ? 256 TYR B CZ 1 ATOM 4363 O OH . TYR B 1 280 ? -18.641 -42.034 -34.917 1.00 66.99 ? 256 TYR B OH 1 ATOM 4364 N N . ARG B 1 281 ? -22.288 -35.640 -38.206 1.00 61.91 ? 257 ARG B N 1 ATOM 4365 C CA . ARG B 1 281 ? -23.418 -34.795 -38.561 1.00 61.95 ? 257 ARG B CA 1 ATOM 4366 C C . ARG B 1 281 ? -24.658 -35.659 -38.684 1.00 63.63 ? 257 ARG B C 1 ATOM 4367 O O . ARG B 1 281 ? -24.648 -36.662 -39.397 1.00 64.39 ? 257 ARG B O 1 ATOM 4368 C CB . ARG B 1 281 ? -23.164 -34.072 -39.878 1.00 61.38 ? 257 ARG B CB 1 ATOM 4369 C CG . ARG B 1 281 ? -24.125 -32.939 -40.174 1.00 61.22 ? 257 ARG B CG 1 ATOM 4370 C CD . ARG B 1 281 ? -23.903 -31.766 -39.250 1.00 60.37 ? 257 ARG B CD 1 ATOM 4371 N NE . ARG B 1 281 ? -24.743 -30.634 -39.623 1.00 60.59 ? 257 ARG B NE 1 ATOM 4372 C CZ . ARG B 1 281 ? -24.536 -29.385 -39.222 1.00 60.06 ? 257 ARG B CZ 1 ATOM 4373 N NH1 . ARG B 1 281 ? -23.512 -29.101 -38.436 1.00 59.36 ? 257 ARG B NH1 1 ATOM 4374 N NH2 . ARG B 1 281 ? -25.352 -28.419 -39.614 1.00 60.20 ? 257 ARG B NH2 1 ATOM 4375 N N . PRO B 1 282 ? -25.729 -35.277 -37.977 1.00 66.52 ? 258 PRO B N 1 ATOM 4376 C CA . PRO B 1 282 ? -27.005 -35.998 -38.002 1.00 70.20 ? 258 PRO B CA 1 ATOM 4377 C C . PRO B 1 282 ? -27.512 -36.229 -39.422 1.00 71.29 ? 258 PRO B C 1 ATOM 4378 O O . PRO B 1 282 ? -27.829 -35.275 -40.127 1.00 70.86 ? 258 PRO B O 1 ATOM 4379 C CB . PRO B 1 282 ? -27.947 -35.050 -37.258 1.00 71.15 ? 258 PRO B CB 1 ATOM 4380 C CG . PRO B 1 282 ? -27.059 -34.313 -36.319 1.00 69.16 ? 258 PRO B CG 1 ATOM 4381 C CD . PRO B 1 282 ? -25.755 -34.139 -37.040 1.00 65.93 ? 258 PRO B CD 1 ATOM 4382 N N . GLY B 1 283 ? -27.576 -37.491 -39.832 1.00 73.28 ? 259 GLY B N 1 ATOM 4383 C CA . GLY B 1 283 ? -28.109 -37.834 -41.136 1.00 75.27 ? 259 GLY B CA 1 ATOM 4384 C C . GLY B 1 283 ? -27.087 -37.796 -42.253 1.00 73.79 ? 259 GLY B C 1 ATOM 4385 O O . GLY B 1 283 ? -27.449 -37.725 -43.427 1.00 74.61 ? 259 GLY B O 1 ATOM 4386 N N . TYR B 1 284 ? -25.809 -37.844 -41.890 1.00 72.18 ? 260 TYR B N 1 ATOM 4387 C CA . TYR B 1 284 ? -24.740 -37.838 -42.884 1.00 70.78 ? 260 TYR B CA 1 ATOM 4388 C C . TYR B 1 284 ? -23.689 -38.898 -42.597 1.00 71.09 ? 260 TYR B C 1 ATOM 4389 O O . TYR B 1 284 ? -23.527 -39.332 -41.462 1.00 71.71 ? 260 TYR B O 1 ATOM 4390 C CB . TYR B 1 284 ? -24.087 -36.459 -42.971 1.00 67.65 ? 260 TYR B CB 1 ATOM 4391 C CG . TYR B 1 284 ? -25.006 -35.411 -43.538 1.00 67.69 ? 260 TYR B CG 1 ATOM 4392 C CD1 . TYR B 1 284 ? -25.032 -35.148 -44.896 1.00 67.60 ? 260 TYR B CD1 1 ATOM 4393 C CD2 . TYR B 1 284 ? -25.856 -34.696 -42.716 1.00 68.46 ? 260 TYR B CD2 1 ATOM 4394 C CE1 . TYR B 1 284 ? -25.877 -34.199 -45.420 1.00 68.62 ? 260 TYR B CE1 1 ATOM 4395 C CE2 . TYR B 1 284 ? -26.704 -33.744 -43.229 1.00 69.48 ? 260 TYR B CE2 1 ATOM 4396 C CZ . TYR B 1 284 ? -26.711 -33.498 -44.581 1.00 69.73 ? 260 TYR B CZ 1 ATOM 4397 O OH . TYR B 1 284 ? -27.560 -32.545 -45.089 1.00 71.41 ? 260 TYR B OH 1 ATOM 4398 N N . HIS B 1 285 ? -22.976 -39.310 -43.637 1.00 71.18 ? 261 HIS B N 1 ATOM 4399 C CA . HIS B 1 285 ? -21.977 -40.355 -43.501 1.00 71.76 ? 261 HIS B CA 1 ATOM 4400 C C . HIS B 1 285 ? -20.663 -39.908 -44.116 1.00 70.04 ? 261 HIS B C 1 ATOM 4401 O O . HIS B 1 285 ? -20.541 -38.780 -44.585 1.00 68.19 ? 261 HIS B O 1 ATOM 4402 C CB . HIS B 1 285 ? -22.466 -41.640 -44.168 1.00 74.44 ? 261 HIS B CB 1 ATOM 4403 C CG . HIS B 1 285 ? -23.777 -42.124 -43.641 1.00 76.61 ? 261 HIS B CG 1 ATOM 4404 N ND1 . HIS B 1 285 ? -23.875 -43.117 -42.691 1.00 78.81 ? 261 HIS B ND1 1 ATOM 4405 C CD2 . HIS B 1 285 ? -25.045 -41.739 -43.917 1.00 77.69 ? 261 HIS B CD2 1 ATOM 4406 C CE1 . HIS B 1 285 ? -25.148 -43.328 -42.409 1.00 81.40 ? 261 HIS B CE1 1 ATOM 4407 N NE2 . HIS B 1 285 ? -25.879 -42.505 -43.140 1.00 80.74 ? 261 HIS B NE2 1 ATOM 4408 N N . THR B 1 286 ? -19.681 -40.798 -44.110 1.00 70.97 ? 262 THR B N 1 ATOM 4409 C CA . THR B 1 286 ? -18.368 -40.477 -44.641 1.00 69.89 ? 262 THR B CA 1 ATOM 4410 C C . THR B 1 286 ? -18.438 -40.082 -46.106 1.00 71.31 ? 262 THR B C 1 ATOM 4411 O O . THR B 1 286 ? -18.749 -40.906 -46.960 1.00 74.47 ? 262 THR B O 1 ATOM 4412 C CB . THR B 1 286 ? -17.407 -41.652 -44.466 1.00 70.93 ? 262 THR B CB 1 ATOM 4413 O OG1 . THR B 1 286 ? -17.369 -42.024 -43.083 1.00 71.69 ? 262 THR B OG1 1 ATOM 4414 C CG2 . THR B 1 286 ? -16.018 -41.264 -44.906 1.00 68.55 ? 262 THR B CG2 1 ATOM 4415 N N . GLN B 1 287 ? -18.155 -38.815 -46.388 1.00 69.80 ? 263 GLN B N 1 ATOM 4416 C CA . GLN B 1 287 ? -18.196 -38.306 -47.754 1.00 71.17 ? 263 GLN B CA 1 ATOM 4417 C C . GLN B 1 287 ? -16.969 -38.737 -48.550 1.00 71.57 ? 263 GLN B C 1 ATOM 4418 O O . GLN B 1 287 ? -16.129 -37.908 -48.891 1.00 69.35 ? 263 GLN B O 1 ATOM 4419 C CB . GLN B 1 287 ? -18.287 -36.779 -47.753 1.00 69.99 ? 263 GLN B CB 1 ATOM 4420 C CG . GLN B 1 287 ? -19.391 -36.214 -46.870 1.00 70.53 ? 263 GLN B CG 1 ATOM 4421 C CD . GLN B 1 287 ? -20.772 -36.461 -47.428 1.00 73.47 ? 263 GLN B CD 1 ATOM 4422 O OE1 . GLN B 1 287 ? -21.147 -35.897 -48.454 1.00 73.97 ? 263 GLN B OE1 1 ATOM 4423 N NE2 . GLN B 1 287 ? -21.541 -37.309 -46.754 1.00 75.59 ? 263 GLN B NE2 1 ATOM 4424 N N . ILE B 1 288 ? -16.880 -40.029 -48.856 1.00 74.62 ? 264 ILE B N 1 ATOM 4425 C CA . ILE B 1 288 ? -15.749 -40.562 -49.611 1.00 75.74 ? 264 ILE B CA 1 ATOM 4426 C C . ILE B 1 288 ? -15.779 -40.082 -51.059 1.00 76.15 ? 264 ILE B C 1 ATOM 4427 O O . ILE B 1 288 ? -14.734 -39.921 -51.691 1.00 75.98 ? 264 ILE B O 1 ATOM 4428 C CB . ILE B 1 288 ? -15.715 -42.105 -49.593 1.00 79.14 ? 264 ILE B CB 1 ATOM 4429 C CG1 . ILE B 1 288 ? -16.064 -42.645 -48.205 1.00 79.63 ? 264 ILE B CG1 1 ATOM 4430 C CG2 . ILE B 1 288 ? -14.351 -42.619 -50.034 1.00 79.68 ? 264 ILE B CG2 1 ATOM 4431 C CD1 . ILE B 1 288 ? -16.023 -44.162 -48.104 1.00 83.19 ? 264 ILE B CD1 1 ATOM 4432 N N . THR B 1 289 ? -16.979 -39.853 -51.579 1.00 77.01 ? 265 THR B N 1 ATOM 4433 C CA . THR B 1 289 ? -17.121 -39.387 -52.949 1.00 78.26 ? 265 THR B CA 1 ATOM 4434 C C . THR B 1 289 ? -17.531 -37.919 -52.992 1.00 75.51 ? 265 THR B C 1 ATOM 4435 O O . THR B 1 289 ? -18.348 -37.515 -53.821 1.00 77.76 ? 265 THR B O 1 ATOM 4436 C CB . THR B 1 289 ? -18.133 -40.230 -53.737 1.00 83.17 ? 265 THR B CB 1 ATOM 4437 O OG1 . THR B 1 289 ? -18.207 -41.543 -53.171 1.00 85.52 ? 265 THR B OG1 1 ATOM 4438 C CG2 . THR B 1 289 ? -17.710 -40.339 -55.193 1.00 86.04 ? 265 THR B CG2 1 ATOM 4439 N N . GLY B 1 290 ? -16.960 -37.128 -52.090 1.00 71.04 ? 266 GLY B N 1 ATOM 4440 C CA . GLY B 1 290 ? -17.121 -35.687 -52.132 1.00 68.55 ? 266 GLY B CA 1 ATOM 4441 C C . GLY B 1 290 ? -16.163 -35.108 -53.149 1.00 68.27 ? 266 GLY B C 1 ATOM 4442 O O . GLY B 1 290 ? -15.348 -35.832 -53.712 1.00 69.95 ? 266 GLY B O 1 ATOM 4443 N N . PRO B 1 291 ? -16.254 -33.798 -53.398 1.00 67.20 ? 267 PRO B N 1 ATOM 4444 C CA . PRO B 1 291 ? -15.404 -33.158 -54.405 1.00 67.95 ? 267 PRO B CA 1 ATOM 4445 C C . PRO B 1 291 ? -13.983 -32.919 -53.916 1.00 65.90 ? 267 PRO B C 1 ATOM 4446 O O . PRO B 1 291 ? -13.490 -31.797 -53.986 1.00 64.90 ? 267 PRO B O 1 ATOM 4447 C CB . PRO B 1 291 ? -16.100 -31.819 -54.638 1.00 68.03 ? 267 PRO B CB 1 ATOM 4448 C CG . PRO B 1 291 ? -16.795 -31.537 -53.368 1.00 66.18 ? 267 PRO B CG 1 ATOM 4449 C CD . PRO B 1 291 ? -17.242 -32.866 -52.834 1.00 66.38 ? 267 PRO B CD 1 ATOM 4450 N N . TRP B 1 292 ? -13.322 -33.971 -53.452 1.00 65.86 ? 268 TRP B N 1 ATOM 4451 C CA . TRP B 1 292 ? -11.964 -33.845 -52.947 1.00 64.33 ? 268 TRP B CA 1 ATOM 4452 C C . TRP B 1 292 ? -10.951 -33.731 -54.087 1.00 67.05 ? 268 TRP B C 1 ATOM 4453 O O . TRP B 1 292 ? -9.744 -33.755 -53.858 1.00 66.89 ? 268 TRP B O 1 ATOM 4454 C CB . TRP B 1 292 ? -11.614 -35.030 -52.040 1.00 62.70 ? 268 TRP B CB 1 ATOM 4455 C CG . TRP B 1 292 ? -12.676 -35.353 -51.034 1.00 61.06 ? 268 TRP B CG 1 ATOM 4456 C CD1 . TRP B 1 292 ? -13.483 -36.448 -51.026 1.00 62.40 ? 268 TRP B CD1 1 ATOM 4457 C CD2 . TRP B 1 292 ? -13.050 -34.570 -49.896 1.00 58.29 ? 268 TRP B CD2 1 ATOM 4458 N NE1 . TRP B 1 292 ? -14.336 -36.399 -49.952 1.00 61.29 ? 268 TRP B NE1 1 ATOM 4459 C CE2 . TRP B 1 292 ? -14.090 -35.254 -49.242 1.00 58.76 ? 268 TRP B CE2 1 ATOM 4460 C CE3 . TRP B 1 292 ? -12.606 -33.357 -49.367 1.00 55.91 ? 268 TRP B CE3 1 ATOM 4461 C CZ2 . TRP B 1 292 ? -14.695 -34.765 -48.087 1.00 57.53 ? 268 TRP B CZ2 1 ATOM 4462 C CZ3 . TRP B 1 292 ? -13.206 -32.873 -48.219 1.00 54.71 ? 268 TRP B CZ3 1 ATOM 4463 C CH2 . TRP B 1 292 ? -14.239 -33.575 -47.593 1.00 55.57 ? 268 TRP B CH2 1 ATOM 4464 N N . HIS B 1 293 ? -11.444 -33.610 -55.315 1.00 70.14 ? 269 HIS B N 1 ATOM 4465 C CA . HIS B 1 293 ? -10.565 -33.435 -56.461 1.00 72.46 ? 269 HIS B CA 1 ATOM 4466 C C . HIS B 1 293 ? -10.238 -31.961 -56.639 1.00 72.38 ? 269 HIS B C 1 ATOM 4467 O O . HIS B 1 293 ? -9.398 -31.594 -57.459 1.00 73.58 ? 269 HIS B O 1 ATOM 4468 C CB . HIS B 1 293 ? -11.215 -33.990 -57.727 1.00 76.20 ? 269 HIS B CB 1 ATOM 4469 C CG . HIS B 1 293 ? -12.510 -33.328 -58.082 1.00 77.46 ? 269 HIS B CG 1 ATOM 4470 N ND1 . HIS B 1 293 ? -13.733 -33.817 -57.672 1.00 78.03 ? 269 HIS B ND1 1 ATOM 4471 C CD2 . HIS B 1 293 ? -12.775 -32.222 -58.817 1.00 78.70 ? 269 HIS B CD2 1 ATOM 4472 C CE1 . HIS B 1 293 ? -14.693 -33.038 -58.136 1.00 79.20 ? 269 HIS B CE1 1 ATOM 4473 N NE2 . HIS B 1 293 ? -14.139 -32.062 -58.833 1.00 79.68 ? 269 HIS B NE2 1 ATOM 4474 N N . LEU B 1 294 ? -10.905 -31.123 -55.856 1.00 71.42 ? 270 LEU B N 1 ATOM 4475 C CA . LEU B 1 294 ? -10.704 -29.683 -55.925 1.00 71.80 ? 270 LEU B CA 1 ATOM 4476 C C . LEU B 1 294 ? -9.364 -29.257 -55.327 1.00 70.54 ? 270 LEU B C 1 ATOM 4477 O O . LEU B 1 294 ? -8.736 -28.315 -55.806 1.00 71.22 ? 270 LEU B O 1 ATOM 4478 C CB . LEU B 1 294 ? -11.855 -28.961 -55.229 1.00 70.84 ? 270 LEU B CB 1 ATOM 4479 C CG . LEU B 1 294 ? -13.233 -29.185 -55.849 1.00 72.91 ? 270 LEU B CG 1 ATOM 4480 C CD1 . LEU B 1 294 ? -14.317 -28.490 -55.041 1.00 71.97 ? 270 LEU B CD1 1 ATOM 4481 C CD2 . LEU B 1 294 ? -13.246 -28.701 -57.285 1.00 75.81 ? 270 LEU B CD2 1 ATOM 4482 N N . GLY B 1 295 ? -8.928 -29.955 -54.283 1.00 69.07 ? 271 GLY B N 1 ATOM 4483 C CA . GLY B 1 295 ? -7.669 -29.636 -53.633 1.00 67.60 ? 271 GLY B CA 1 ATOM 4484 C C . GLY B 1 295 ? -7.836 -28.557 -52.585 1.00 65.58 ? 271 GLY B C 1 ATOM 4485 O O . GLY B 1 295 ? -7.517 -28.759 -51.414 1.00 63.64 ? 271 GLY B O 1 ATOM 4486 N N . LYS B 1 296 ? -8.328 -27.400 -53.011 1.00 66.47 ? 272 LYS B N 1 ATOM 4487 C CA . LYS B 1 296 ? -8.640 -26.325 -52.085 1.00 65.90 ? 272 LYS B CA 1 ATOM 4488 C C . LYS B 1 296 ? -10.147 -26.111 -52.080 1.00 66.72 ? 272 LYS B C 1 ATOM 4489 O O . LYS B 1 296 ? -10.756 -25.954 -53.140 1.00 69.09 ? 272 LYS B O 1 ATOM 4490 C CB . LYS B 1 296 ? -7.916 -25.036 -52.485 1.00 67.16 ? 272 LYS B CB 1 ATOM 4491 C CG . LYS B 1 296 ? -8.150 -23.872 -51.529 1.00 66.98 ? 272 LYS B CG 1 ATOM 4492 C CD . LYS B 1 296 ? -7.375 -22.621 -51.936 1.00 68.71 ? 272 LYS B CD 1 ATOM 4493 C CE . LYS B 1 296 ? -7.659 -21.466 -50.974 1.00 68.54 ? 272 LYS B CE 1 ATOM 4494 N NZ . LYS B 1 296 ? -6.916 -20.219 -51.307 1.00 69.94 ? 272 LYS B NZ 1 ATOM 4495 N N . LEU B 1 297 ? -10.748 -26.117 -50.893 1.00 64.89 ? 273 LEU B N 1 ATOM 4496 C CA . LEU B 1 297 ? -12.192 -25.933 -50.777 1.00 65.11 ? 273 LEU B CA 1 ATOM 4497 C C . LEU B 1 297 ? -12.640 -25.524 -49.380 1.00 63.38 ? 273 LEU B C 1 ATOM 4498 O O . LEU B 1 297 ? -11.892 -25.638 -48.410 1.00 61.86 ? 273 LEU B O 1 ATOM 4499 C CB . LEU B 1 297 ? -12.932 -27.199 -51.189 1.00 65.59 ? 273 LEU B CB 1 ATOM 4500 C CG . LEU B 1 297 ? -12.625 -28.439 -50.365 1.00 64.13 ? 273 LEU B CG 1 ATOM 4501 C CD1 . LEU B 1 297 ? -13.882 -29.257 -50.213 1.00 65.30 ? 273 LEU B CD1 1 ATOM 4502 C CD2 . LEU B 1 297 ? -11.549 -29.250 -51.045 1.00 64.46 ? 273 LEU B CD2 1 ATOM 4503 N N . GLU B 1 298 ? -13.878 -25.054 -49.296 1.00 63.59 ? 274 GLU B N 1 ATOM 4504 C CA . GLU B 1 298 ? -14.445 -24.586 -48.044 1.00 62.41 ? 274 GLU B CA 1 ATOM 4505 C C . GLU B 1 298 ? -15.840 -25.181 -47.891 1.00 63.27 ? 274 GLU B C 1 ATOM 4506 O O . GLU B 1 298 ? -16.798 -24.692 -48.494 1.00 64.86 ? 274 GLU B O 1 ATOM 4507 C CB . GLU B 1 298 ? -14.520 -23.059 -48.054 1.00 62.67 ? 274 GLU B CB 1 ATOM 4508 C CG . GLU B 1 298 ? -14.658 -22.416 -46.685 1.00 61.48 ? 274 GLU B CG 1 ATOM 4509 C CD . GLU B 1 298 ? -13.328 -22.213 -45.995 1.00 59.33 ? 274 GLU B CD 1 ATOM 4510 O OE1 . GLU B 1 298 ? -12.285 -22.495 -46.616 1.00 58.77 ? 274 GLU B OE1 1 ATOM 4511 O OE2 . GLU B 1 298 ? -13.324 -21.770 -44.829 1.00 58.51 ? 274 GLU B OE2 1 ATOM 4512 N N . MET B 1 299 ? -15.955 -26.242 -47.097 1.00 62.41 ? 275 MET B N 1 ATOM 4513 C CA . MET B 1 299 ? -17.238 -26.924 -46.949 1.00 63.03 ? 275 MET B CA 1 ATOM 4514 C C . MET B 1 299 ? -17.946 -26.580 -45.641 1.00 61.63 ? 275 MET B C 1 ATOM 4515 O O . MET B 1 299 ? -17.316 -26.450 -44.592 1.00 59.87 ? 275 MET B O 1 ATOM 4516 C CB . MET B 1 299 ? -17.090 -28.442 -47.124 1.00 63.40 ? 275 MET B CB 1 ATOM 4517 C CG . MET B 1 299 ? -16.664 -29.216 -45.891 1.00 62.28 ? 275 MET B CG 1 ATOM 4518 S SD . MET B 1 299 ? -17.903 -30.436 -45.402 1.00 64.92 ? 275 MET B SD 1 ATOM 4519 C CE . MET B 1 299 ? -17.075 -31.242 -44.038 1.00 41.93 ? 275 MET B CE 1 ATOM 4520 N N . ASP B 1 300 ? -19.262 -26.413 -45.728 1.00 62.65 ? 276 ASP B N 1 ATOM 4521 C CA . ASP B 1 300 ? -20.074 -26.066 -44.562 1.00 62.60 ? 276 ASP B CA 1 ATOM 4522 C C . ASP B 1 300 ? -21.526 -26.505 -44.724 1.00 64.11 ? 276 ASP B C 1 ATOM 4523 O O . ASP B 1 300 ? -21.832 -27.371 -45.542 1.00 64.99 ? 276 ASP B O 1 ATOM 4524 C CB . ASP B 1 300 ? -19.996 -24.565 -44.262 1.00 62.53 ? 276 ASP B CB 1 ATOM 4525 C CG . ASP B 1 300 ? -20.205 -23.707 -45.492 1.00 63.73 ? 276 ASP B CG 1 ATOM 4526 O OD1 . ASP B 1 300 ? -20.741 -24.213 -46.498 1.00 64.63 ? 276 ASP B OD1 1 ATOM 4527 O OD2 . ASP B 1 300 ? -19.837 -22.516 -45.449 1.00 64.08 ? 276 ASP B OD2 1 ATOM 4528 N N . PHE B 1 301 ? -22.417 -25.901 -43.947 1.00 64.62 ? 277 PHE B N 1 ATOM 4529 C CA . PHE B 1 301 ? -23.810 -26.318 -43.959 1.00 66.32 ? 277 PHE B CA 1 ATOM 4530 C C . PHE B 1 301 ? -24.788 -25.168 -44.225 1.00 68.30 ? 277 PHE B C 1 ATOM 4531 O O . PHE B 1 301 ? -25.224 -24.470 -43.308 1.00 69.15 ? 277 PHE B O 1 ATOM 4532 C CB . PHE B 1 301 ? -24.137 -27.062 -42.665 1.00 66.66 ? 277 PHE B CB 1 ATOM 4533 C CG . PHE B 1 301 ? -23.261 -28.255 -42.430 1.00 65.52 ? 277 PHE B CG 1 ATOM 4534 C CD1 . PHE B 1 301 ? -22.098 -28.143 -41.688 1.00 64.10 ? 277 PHE B CD1 1 ATOM 4535 C CD2 . PHE B 1 301 ? -23.587 -29.486 -42.970 1.00 66.74 ? 277 PHE B CD2 1 ATOM 4536 C CE1 . PHE B 1 301 ? -21.282 -29.239 -41.477 1.00 63.07 ? 277 PHE B CE1 1 ATOM 4537 C CE2 . PHE B 1 301 ? -22.775 -30.588 -42.764 1.00 65.83 ? 277 PHE B CE2 1 ATOM 4538 C CZ . PHE B 1 301 ? -21.621 -30.463 -42.016 1.00 63.94 ? 277 PHE B CZ 1 ATOM 4539 N N . ASP B 1 302 ? -25.105 -24.981 -45.503 1.00 68.88 ? 278 ASP B N 1 ATOM 4540 C CA . ASP B 1 302 ? -26.080 -23.999 -45.960 1.00 71.11 ? 278 ASP B CA 1 ATOM 4541 C C . ASP B 1 302 ? -26.469 -24.435 -47.364 1.00 72.49 ? 278 ASP B C 1 ATOM 4542 O O . ASP B 1 302 ? -25.840 -25.329 -47.924 1.00 71.61 ? 278 ASP B O 1 ATOM 4543 C CB . ASP B 1 302 ? -25.474 -22.593 -45.979 1.00 70.50 ? 278 ASP B CB 1 ATOM 4544 C CG . ASP B 1 302 ? -26.523 -21.501 -46.145 1.00 73.32 ? 278 ASP B CG 1 ATOM 4545 O OD1 . ASP B 1 302 ? -27.730 -21.802 -46.009 1.00 75.17 ? 278 ASP B OD1 1 ATOM 4546 O OD2 . ASP B 1 302 ? -26.139 -20.338 -46.396 1.00 73.67 ? 278 ASP B OD2 1 ATOM 4547 N N . PHE B 1 303 ? -27.504 -23.829 -47.935 1.00 74.99 ? 279 PHE B N 1 ATOM 4548 C CA . PHE B 1 303 ? -27.889 -24.173 -49.295 1.00 76.81 ? 279 PHE B CA 1 ATOM 4549 C C . PHE B 1 303 ? -26.913 -23.536 -50.268 1.00 76.75 ? 279 PHE B C 1 ATOM 4550 O O . PHE B 1 303 ? -26.210 -22.593 -49.916 1.00 76.33 ? 279 PHE B O 1 ATOM 4551 C CB . PHE B 1 303 ? -29.305 -23.689 -49.599 1.00 80.57 ? 279 PHE B CB 1 ATOM 4552 C CG . PHE B 1 303 ? -30.341 -24.219 -48.656 1.00 81.36 ? 279 PHE B CG 1 ATOM 4553 C CD1 . PHE B 1 303 ? -30.962 -25.432 -48.901 1.00 82.15 ? 279 PHE B CD1 1 ATOM 4554 C CD2 . PHE B 1 303 ? -30.702 -23.499 -47.529 1.00 81.51 ? 279 PHE B CD2 1 ATOM 4555 C CE1 . PHE B 1 303 ? -31.917 -25.922 -48.036 1.00 82.97 ? 279 PHE B CE1 1 ATOM 4556 C CE2 . PHE B 1 303 ? -31.658 -23.983 -46.660 1.00 82.36 ? 279 PHE B CE2 1 ATOM 4557 C CZ . PHE B 1 303 ? -32.266 -25.198 -46.915 1.00 83.14 ? 279 PHE B CZ 1 ATOM 4558 N N . CYS B 1 304 ? -26.858 -24.055 -51.488 1.00 77.49 ? 280 CYS B N 1 ATOM 4559 C CA . CYS B 1 304 ? -26.103 -23.388 -52.536 1.00 77.70 ? 280 CYS B CA 1 ATOM 4560 C C . CYS B 1 304 ? -26.931 -22.216 -53.030 1.00 80.84 ? 280 CYS B C 1 ATOM 4561 O O . CYS B 1 304 ? -28.159 -22.245 -52.954 1.00 83.35 ? 280 CYS B O 1 ATOM 4562 C CB . CYS B 1 304 ? -25.796 -24.345 -53.682 1.00 78.54 ? 280 CYS B CB 1 ATOM 4563 S SG . CYS B 1 304 ? -24.688 -25.696 -53.235 1.00 70.74 ? 280 CYS B SG 1 ATOM 4564 N N . ASP B 1 305 ? -26.257 -21.186 -53.527 1.00 80.93 ? 281 ASP B N 1 ATOM 4565 C CA . ASP B 1 305 ? -26.917 -19.946 -53.925 1.00 84.02 ? 281 ASP B CA 1 ATOM 4566 C C . ASP B 1 305 ? -28.019 -20.154 -54.962 1.00 87.79 ? 281 ASP B C 1 ATOM 4567 O O . ASP B 1 305 ? -27.744 -20.416 -56.131 1.00 89.54 ? 281 ASP B O 1 ATOM 4568 C CB . ASP B 1 305 ? -25.885 -18.949 -54.448 1.00 84.04 ? 281 ASP B CB 1 ATOM 4569 C CG . ASP B 1 305 ? -24.874 -18.557 -53.396 1.00 80.36 ? 281 ASP B CG 1 ATOM 4570 O OD1 . ASP B 1 305 ? -25.056 -17.498 -52.760 1.00 81.08 ? 281 ASP B OD1 1 ATOM 4571 O OD2 . ASP B 1 305 ? -23.899 -19.311 -53.202 1.00 76.94 ? 281 ASP B OD2 1 ATOM 4572 N N . GLY B 1 306 ? -29.268 -20.035 -54.524 1.00 89.31 ? 282 GLY B N 1 ATOM 4573 C CA . GLY B 1 306 ? -30.400 -20.179 -55.419 1.00 92.97 ? 282 GLY B CA 1 ATOM 4574 C C . GLY B 1 306 ? -30.792 -21.620 -55.680 1.00 92.10 ? 282 GLY B C 1 ATOM 4575 O O . GLY B 1 306 ? -31.251 -21.957 -56.768 1.00 95.27 ? 282 GLY B O 1 ATOM 4576 N N . THR B 1 307 ? -30.606 -22.473 -54.680 1.00 88.14 ? 283 THR B N 1 ATOM 4577 C CA . THR B 1 307 ? -31.036 -23.861 -54.778 1.00 87.57 ? 283 THR B CA 1 ATOM 4578 C C . THR B 1 307 ? -31.996 -24.207 -53.650 1.00 87.23 ? 283 THR B C 1 ATOM 4579 O O . THR B 1 307 ? -32.084 -23.495 -52.652 1.00 86.19 ? 283 THR B O 1 ATOM 4580 C CB . THR B 1 307 ? -29.854 -24.827 -54.722 1.00 83.64 ? 283 THR B CB 1 ATOM 4581 O OG1 . THR B 1 307 ? -29.023 -24.490 -53.607 1.00 79.78 ? 283 THR B OG1 1 ATOM 4582 C CG2 . THR B 1 307 ? -29.038 -24.737 -55.991 1.00 84.40 ? 283 THR B CG2 1 ATOM 4583 N N . THR B 1 308 ? -32.715 -25.308 -53.818 1.00 88.29 ? 284 THR B N 1 ATOM 4584 C CA . THR B 1 308 ? -33.672 -25.752 -52.820 1.00 88.73 ? 284 THR B CA 1 ATOM 4585 C C . THR B 1 308 ? -33.444 -27.219 -52.489 1.00 88.27 ? 284 THR B C 1 ATOM 4586 O O . THR B 1 308 ? -33.451 -28.071 -53.375 1.00 89.89 ? 284 THR B O 1 ATOM 4587 C CB . THR B 1 308 ? -35.117 -25.561 -53.310 1.00 92.66 ? 284 THR B CB 1 ATOM 4588 O OG1 . THR B 1 308 ? -35.273 -26.179 -54.594 1.00 94.78 ? 284 THR B OG1 1 ATOM 4589 C CG2 . THR B 1 308 ? -35.443 -24.083 -53.428 1.00 94.60 ? 284 THR B CG2 1 ATOM 4590 N N . VAL B 1 309 ? -33.230 -27.510 -51.212 1.00 86.65 ? 285 VAL B N 1 ATOM 4591 C CA . VAL B 1 309 ? -33.075 -28.889 -50.772 1.00 86.58 ? 285 VAL B CA 1 ATOM 4592 C C . VAL B 1 309 ? -34.154 -29.220 -49.751 1.00 88.34 ? 285 VAL B C 1 ATOM 4593 O O . VAL B 1 309 ? -34.490 -28.396 -48.903 1.00 88.37 ? 285 VAL B O 1 ATOM 4594 C CB . VAL B 1 309 ? -31.681 -29.143 -50.164 1.00 83.28 ? 285 VAL B CB 1 ATOM 4595 C CG1 . VAL B 1 309 ? -31.472 -30.624 -49.904 1.00 83.23 ? 285 VAL B CG1 1 ATOM 4596 C CG2 . VAL B 1 309 ? -30.600 -28.625 -51.086 1.00 70.00 ? 285 VAL B CG2 1 ATOM 4597 N N . VAL B 1 310 ? -34.709 -30.423 -49.847 1.00 90.27 ? 286 VAL B N 1 ATOM 4598 C CA . VAL B 1 310 ? -35.717 -30.870 -48.899 1.00 92.42 ? 286 VAL B CA 1 ATOM 4599 C C . VAL B 1 310 ? -35.427 -32.294 -48.444 1.00 92.36 ? 286 VAL B C 1 ATOM 4600 O O . VAL B 1 310 ? -34.518 -32.951 -48.952 1.00 78.20 ? 286 VAL B O 1 ATOM 4601 C CB . VAL B 1 310 ? -37.130 -30.803 -49.499 1.00 85.13 ? 286 VAL B CB 1 ATOM 4602 C CG1 . VAL B 1 310 ? -37.560 -29.361 -49.691 1.00 86.43 ? 286 VAL B CG1 1 ATOM 4603 C CG2 . VAL B 1 310 ? -37.178 -31.557 -50.814 1.00 87.23 ? 286 VAL B CG2 1 ATOM 4604 N N . VAL B 1 311 ? -36.206 -32.765 -47.479 1.00 93.89 ? 287 VAL B N 1 ATOM 4605 C CA . VAL B 1 311 ? -36.052 -34.117 -46.969 1.00 93.70 ? 287 VAL B CA 1 ATOM 4606 C C . VAL B 1 311 ? -37.185 -34.977 -47.510 1.00 98.50 ? 287 VAL B C 1 ATOM 4607 O O . VAL B 1 311 ? -38.346 -34.788 -47.147 1.00 101.53 ? 287 VAL B O 1 ATOM 4608 C CB . VAL B 1 311 ? -36.094 -34.139 -45.437 1.00 92.01 ? 287 VAL B CB 1 ATOM 4609 C CG1 . VAL B 1 311 ? -35.402 -35.381 -44.908 1.00 90.66 ? 287 VAL B CG1 1 ATOM 4610 C CG2 . VAL B 1 311 ? -35.436 -32.891 -44.879 1.00 88.83 ? 287 VAL B CG2 1 ATOM 4611 N N . THR B 1 312 ? -36.849 -35.917 -48.385 1.00 99.72 ? 288 THR B N 1 ATOM 4612 C CA . THR B 1 312 ? -37.862 -36.763 -48.999 1.00 104.67 ? 288 THR B CA 1 ATOM 4613 C C . THR B 1 312 ? -37.364 -38.193 -49.143 1.00 104.95 ? 288 THR B C 1 ATOM 4614 O O . THR B 1 312 ? -36.301 -38.432 -49.710 1.00 103.61 ? 288 THR B O 1 ATOM 4615 C CB . THR B 1 312 ? -38.274 -36.227 -50.378 1.00 107.87 ? 288 THR B CB 1 ATOM 4616 O OG1 . THR B 1 312 ? -38.676 -34.857 -50.260 1.00 107.85 ? 288 THR B OG1 1 ATOM 4617 C CG2 . THR B 1 312 ? -39.428 -37.039 -50.937 1.00 113.32 ? 288 THR B CG2 1 ATOM 4618 N N . GLU B 1 313 ? -38.142 -39.139 -48.629 1.00 106.97 ? 289 GLU B N 1 ATOM 4619 C CA . GLU B 1 313 ? -37.789 -40.552 -48.693 1.00 107.50 ? 289 GLU B CA 1 ATOM 4620 C C . GLU B 1 313 ? -37.784 -41.030 -50.145 1.00 108.90 ? 289 GLU B C 1 ATOM 4621 O O . GLU B 1 313 ? -37.137 -42.022 -50.483 1.00 109.34 ? 289 GLU B O 1 ATOM 4622 C CB . GLU B 1 313 ? -38.771 -41.370 -47.847 1.00 111.36 ? 289 GLU B CB 1 ATOM 4623 C CG . GLU B 1 313 ? -38.430 -42.847 -47.687 1.00 113.45 ? 289 GLU B CG 1 ATOM 4624 C CD . GLU B 1 313 ? -39.473 -43.597 -46.872 1.00 117.58 ? 289 GLU B CD 1 ATOM 4625 O OE1 . GLU B 1 313 ? -40.314 -42.935 -46.229 1.00 118.24 ? 289 GLU B OE1 1 ATOM 4626 O OE2 . GLU B 1 313 ? -39.457 -44.847 -46.875 1.00 120.35 ? 289 GLU B OE2 1 ATOM 4627 N N . ASP B 1 314 ? -38.497 -40.303 -51.000 1.00 109.78 ? 290 ASP B N 1 ATOM 4628 C CA . ASP B 1 314 ? -38.586 -40.628 -52.420 1.00 111.70 ? 290 ASP B CA 1 ATOM 4629 C C . ASP B 1 314 ? -37.299 -40.281 -53.172 1.00 107.84 ? 290 ASP B C 1 ATOM 4630 O O . ASP B 1 314 ? -37.019 -40.840 -54.233 1.00 109.82 ? 290 ASP B O 1 ATOM 4631 C CB . ASP B 1 314 ? -39.780 -39.901 -53.047 1.00 114.81 ? 290 ASP B CB 1 ATOM 4632 C CG . ASP B 1 314 ? -39.940 -40.203 -54.520 1.00 118.36 ? 290 ASP B CG 1 ATOM 4633 O OD1 . ASP B 1 314 ? -39.634 -41.342 -54.924 1.00 120.20 ? 290 ASP B OD1 1 ATOM 4634 O OD2 . ASP B 1 314 ? -40.371 -39.302 -55.271 1.00 119.66 ? 290 ASP B OD2 1 ATOM 4635 N N . CYS B 1 315 ? -36.518 -39.361 -52.615 1.00 102.75 ? 291 CYS B N 1 ATOM 4636 C CA . CYS B 1 315 ? -35.278 -38.912 -53.246 1.00 99.39 ? 291 CYS B CA 1 ATOM 4637 C C . CYS B 1 315 ? -34.295 -40.060 -53.458 1.00 98.81 ? 291 CYS B C 1 ATOM 4638 O O . CYS B 1 315 ? -34.360 -41.075 -52.768 1.00 99.68 ? 291 CYS B O 1 ATOM 4639 C CB . CYS B 1 315 ? -34.621 -37.820 -52.402 1.00 94.60 ? 291 CYS B CB 1 ATOM 4640 S SG . CYS B 1 315 ? -33.303 -36.939 -53.243 1.00 87.86 ? 291 CYS B SG 1 ATOM 4641 N N . GLY B 1 316 ? -33.386 -39.895 -54.413 1.00 97.73 ? 292 GLY B N 1 ATOM 4642 C CA . GLY B 1 316 ? -32.412 -40.927 -54.722 1.00 91.41 ? 292 GLY B CA 1 ATOM 4643 C C . GLY B 1 316 ? -31.490 -41.221 -53.557 1.00 109.77 ? 292 GLY B C 1 ATOM 4644 O O . GLY B 1 316 ? -31.363 -40.407 -52.643 1.00 106.55 ? 292 GLY B O 1 ATOM 4645 N N . ASN B 1 317 ? -30.852 -42.387 -53.581 1.00 102.51 ? 293 ASN B N 1 ATOM 4646 C CA . ASN B 1 317 ? -29.900 -42.750 -52.535 1.00 100.50 ? 293 ASN B CA 1 ATOM 4647 C C . ASN B 1 317 ? -28.597 -41.970 -52.687 1.00 96.34 ? 293 ASN B C 1 ATOM 4648 O O . ASN B 1 317 ? -28.383 -41.300 -53.698 1.00 94.90 ? 293 ASN B O 1 ATOM 4649 C CB . ASN B 1 317 ? -29.619 -44.255 -52.548 1.00 102.15 ? 293 ASN B CB 1 ATOM 4650 C CG . ASN B 1 317 ? -28.949 -44.738 -51.268 1.00 100.88 ? 293 ASN B CG 1 ATOM 4651 O OD1 . ASN B 1 317 ? -29.197 -44.206 -50.186 1.00 99.89 ? 293 ASN B OD1 1 ATOM 4652 N ND2 . ASN B 1 317 ? -28.090 -45.743 -51.390 1.00 101.02 ? 293 ASN B ND2 1 ATOM 4653 N N . ARG B 1 318 ? -27.734 -42.057 -51.680 1.00 94.21 ? 294 ARG B N 1 ATOM 4654 C CA . ARG B 1 318 ? -26.457 -41.356 -51.705 1.00 90.62 ? 294 ARG B CA 1 ATOM 4655 C C . ARG B 1 318 ? -25.528 -41.870 -52.802 1.00 89.29 ? 294 ARG B C 1 ATOM 4656 O O . ARG B 1 318 ? -25.384 -43.079 -52.995 1.00 91.12 ? 294 ARG B O 1 ATOM 4657 C CB . ARG B 1 318 ? -25.767 -41.413 -50.334 1.00 89.68 ? 294 ARG B CB 1 ATOM 4658 C CG . ARG B 1 318 ? -25.685 -42.797 -49.716 1.00 91.43 ? 294 ARG B CG 1 ATOM 4659 C CD . ARG B 1 318 ? -24.959 -42.770 -48.377 1.00 90.28 ? 294 ARG B CD 1 ATOM 4660 N NE . ARG B 1 318 ? -23.505 -42.747 -48.526 1.00 87.94 ? 294 ARG B NE 1 ATOM 4661 C CZ . ARG B 1 318 ? -22.709 -41.833 -47.979 1.00 85.57 ? 294 ARG B CZ 1 ATOM 4662 N NH1 . ARG B 1 318 ? -21.398 -41.887 -48.164 1.00 83.86 ? 294 ARG B NH1 1 ATOM 4663 N NH2 . ARG B 1 318 ? -23.222 -40.865 -47.241 1.00 85.24 ? 294 ARG B NH2 1 ATOM 4664 N N . GLY B 1 319 ? -24.917 -40.935 -53.524 1.00 86.15 ? 295 GLY B N 1 ATOM 4665 C CA . GLY B 1 319 ? -23.961 -41.255 -54.569 1.00 85.00 ? 295 GLY B CA 1 ATOM 4666 C C . GLY B 1 319 ? -22.921 -40.158 -54.636 1.00 82.05 ? 295 GLY B C 1 ATOM 4667 O O . GLY B 1 319 ? -22.880 -39.311 -53.749 1.00 81.31 ? 295 GLY B O 1 ATOM 4668 N N . PRO B 1 320 ? -22.082 -40.162 -55.684 1.00 80.82 ? 296 PRO B N 1 ATOM 4669 C CA . PRO B 1 320 ? -21.017 -39.168 -55.848 1.00 78.19 ? 296 PRO B CA 1 ATOM 4670 C C . PRO B 1 320 ? -21.545 -37.755 -55.694 1.00 76.76 ? 296 PRO B C 1 ATOM 4671 O O . PRO B 1 320 ? -22.675 -37.482 -56.093 1.00 78.06 ? 296 PRO B O 1 ATOM 4672 C CB . PRO B 1 320 ? -20.559 -39.388 -57.286 1.00 79.01 ? 296 PRO B CB 1 ATOM 4673 C CG . PRO B 1 320 ? -20.855 -40.810 -57.553 1.00 81.23 ? 296 PRO B CG 1 ATOM 4674 C CD . PRO B 1 320 ? -22.128 -41.103 -56.815 1.00 82.57 ? 296 PRO B CD 1 ATOM 4675 N N . SER B 1 321 ? -20.741 -36.874 -55.113 1.00 74.28 ? 297 SER B N 1 ATOM 4676 C CA . SER B 1 321 ? -21.178 -35.507 -54.883 1.00 73.18 ? 297 SER B CA 1 ATOM 4677 C C . SER B 1 321 ? -21.362 -34.793 -56.213 1.00 74.29 ? 297 SER B C 1 ATOM 4678 O O . SER B 1 321 ? -20.506 -34.866 -57.091 1.00 73.90 ? 297 SER B O 1 ATOM 4679 C CB . SER B 1 321 ? -20.170 -34.760 -54.014 1.00 70.73 ? 297 SER B CB 1 ATOM 4680 O OG . SER B 1 321 ? -20.729 -33.561 -53.509 1.00 70.34 ? 297 SER B OG 1 ATOM 4681 N N . LEU B 1 322 ? -22.492 -34.116 -56.364 1.00 76.04 ? 298 LEU B N 1 ATOM 4682 C CA . LEU B 1 322 ? -22.778 -33.402 -57.596 1.00 77.58 ? 298 LEU B CA 1 ATOM 4683 C C . LEU B 1 322 ? -22.524 -31.915 -57.418 1.00 77.09 ? 298 LEU B C 1 ATOM 4684 O O . LEU B 1 322 ? -22.430 -31.420 -56.295 1.00 76.50 ? 298 LEU B O 1 ATOM 4685 C CB . LEU B 1 322 ? -24.223 -33.643 -58.031 1.00 80.39 ? 298 LEU B CB 1 ATOM 4686 C CG . LEU B 1 322 ? -24.585 -35.088 -58.375 1.00 82.47 ? 298 LEU B CG 1 ATOM 4687 C CD1 . LEU B 1 322 ? -26.019 -35.194 -58.835 1.00 85.02 ? 298 LEU B CD1 1 ATOM 4688 C CD2 . LEU B 1 322 ? -23.662 -35.624 -59.441 1.00 82.63 ? 298 LEU B CD2 1 ATOM 4689 N N . ARG B 1 323 ? -22.398 -31.213 -58.538 1.00 77.49 ? 299 ARG B N 1 ATOM 4690 C CA . ARG B 1 323 ? -22.242 -29.769 -58.534 1.00 62.09 ? 299 ARG B CA 1 ATOM 4691 C C . ARG B 1 323 ? -23.557 -29.166 -58.995 1.00 72.53 ? 299 ARG B C 1 ATOM 4692 O O . ARG B 1 323 ? -24.250 -29.749 -59.822 1.00 73.86 ? 299 ARG B O 1 ATOM 4693 C CB . ARG B 1 323 ? -21.119 -29.372 -59.490 1.00 62.51 ? 299 ARG B CB 1 ATOM 4694 C CG . ARG B 1 323 ? -20.720 -27.908 -59.446 1.00 62.92 ? 299 ARG B CG 1 ATOM 4695 C CD . ARG B 1 323 ? -19.628 -27.622 -60.465 1.00 62.45 ? 299 ARG B CD 1 ATOM 4696 N NE . ARG B 1 323 ? -20.104 -27.797 -61.833 1.00 74.57 ? 299 ARG B NE 1 ATOM 4697 C CZ . ARG B 1 323 ? -19.344 -27.670 -62.916 1.00 76.16 ? 299 ARG B CZ 1 ATOM 4698 N NH1 . ARG B 1 323 ? -18.058 -27.374 -62.796 1.00 75.66 ? 299 ARG B NH1 1 ATOM 4699 N NH2 . ARG B 1 323 ? -19.869 -27.843 -64.120 1.00 78.32 ? 299 ARG B NH2 1 ATOM 4700 N N . THR B 1 324 ? -23.904 -28.006 -58.454 1.00 72.90 ? 300 THR B N 1 ATOM 4701 C CA . THR B 1 324 ? -25.148 -27.336 -58.820 1.00 75.04 ? 300 THR B CA 1 ATOM 4702 C C . THR B 1 324 ? -25.227 -26.962 -60.303 1.00 76.54 ? 300 THR B C 1 ATOM 4703 O O . THR B 1 324 ? -26.319 -26.866 -60.864 1.00 78.68 ? 300 THR B O 1 ATOM 4704 C CB . THR B 1 324 ? -25.359 -26.080 -57.979 1.00 75.39 ? 300 THR B CB 1 ATOM 4705 O OG1 . THR B 1 324 ? -24.145 -25.321 -57.951 1.00 74.90 ? 300 THR B OG1 1 ATOM 4706 C CG2 . THR B 1 324 ? -25.732 -26.459 -56.567 1.00 74.43 ? 300 THR B CG2 1 ATOM 4707 N N . THR B 1 325 ? -24.072 -26.754 -60.931 1.00 75.71 ? 301 THR B N 1 ATOM 4708 C CA . THR B 1 325 ? -24.021 -26.390 -62.347 1.00 68.70 ? 301 THR B CA 1 ATOM 4709 C C . THR B 1 325 ? -23.505 -27.539 -63.214 1.00 76.65 ? 301 THR B C 1 ATOM 4710 O O . THR B 1 325 ? -22.571 -28.237 -62.828 1.00 75.23 ? 301 THR B O 1 ATOM 4711 C CB . THR B 1 325 ? -23.127 -25.165 -62.579 1.00 72.15 ? 301 THR B CB 1 ATOM 4712 O OG1 . THR B 1 325 ? -21.753 -25.552 -62.486 1.00 67.45 ? 301 THR B OG1 1 ATOM 4713 C CG2 . THR B 1 325 ? -23.417 -24.088 -61.548 1.00 72.22 ? 301 THR B CG2 1 ATOM 4714 N N . THR B 1 326 ? -24.110 -27.732 -64.384 1.00 78.61 ? 302 THR B N 1 ATOM 4715 C CA . THR B 1 326 ? -23.684 -28.800 -65.294 1.00 79.19 ? 302 THR B CA 1 ATOM 4716 C C . THR B 1 326 ? -22.602 -28.342 -66.267 1.00 79.89 ? 302 THR B C 1 ATOM 4717 O O . THR B 1 326 ? -22.206 -27.179 -66.265 1.00 79.65 ? 302 THR B O 1 ATOM 4718 C CB . THR B 1 326 ? -24.864 -29.394 -66.098 1.00 81.26 ? 302 THR B CB 1 ATOM 4719 O OG1 . THR B 1 326 ? -24.357 -30.249 -67.131 1.00 82.50 ? 302 THR B OG1 1 ATOM 4720 C CG2 . THR B 1 326 ? -25.682 -28.302 -66.738 1.00 82.86 ? 302 THR B CG2 1 ATOM 4721 N N . ALA B 1 327 ? -22.134 -29.266 -67.102 1.00 81.28 ? 303 ALA B N 1 ATOM 4722 C CA . ALA B 1 327 ? -21.083 -28.967 -68.068 1.00 83.04 ? 303 ALA B CA 1 ATOM 4723 C C . ALA B 1 327 ? -21.532 -27.921 -69.080 1.00 86.82 ? 303 ALA B C 1 ATOM 4724 O O . ALA B 1 327 ? -20.708 -27.232 -69.674 1.00 87.45 ? 303 ALA B O 1 ATOM 4725 C CB . ALA B 1 327 ? -20.636 -30.234 -68.777 1.00 83.61 ? 303 ALA B CB 1 ATOM 4726 N N . SER B 1 328 ? -22.842 -27.813 -69.278 1.00 89.45 ? 304 SER B N 1 ATOM 4727 C CA . SER B 1 328 ? -23.386 -26.816 -70.186 1.00 93.05 ? 304 SER B CA 1 ATOM 4728 C C . SER B 1 328 ? -23.536 -25.482 -69.468 1.00 93.09 ? 304 SER B C 1 ATOM 4729 O O . SER B 1 328 ? -23.356 -24.425 -70.068 1.00 94.92 ? 304 SER B O 1 ATOM 4730 C CB . SER B 1 328 ? -24.736 -27.266 -70.744 1.00 95.84 ? 304 SER B CB 1 ATOM 4731 O OG . SER B 1 328 ? -25.754 -27.181 -69.761 1.00 95.38 ? 304 SER B OG 1 ATOM 4732 N N . GLY B 1 329 ? -23.864 -25.533 -68.181 1.00 91.63 ? 305 GLY B N 1 ATOM 4733 C CA . GLY B 1 329 ? -23.994 -24.320 -67.397 1.00 92.25 ? 305 GLY B CA 1 ATOM 4734 C C . GLY B 1 329 ? -25.346 -24.140 -66.735 1.00 94.34 ? 305 GLY B C 1 ATOM 4735 O O . GLY B 1 329 ? -25.583 -23.127 -66.082 1.00 94.14 ? 305 GLY B O 1 ATOM 4736 N N . LYS B 1 330 ? -26.235 -25.115 -66.900 1.00 96.34 ? 306 LYS B N 1 ATOM 4737 C CA . LYS B 1 330 ? -27.553 -25.050 -66.270 1.00 97.97 ? 306 LYS B CA 1 ATOM 4738 C C . LYS B 1 330 ? -27.439 -25.180 -64.751 1.00 95.88 ? 306 LYS B C 1 ATOM 4739 O O . LYS B 1 330 ? -26.521 -25.824 -64.249 1.00 93.50 ? 306 LYS B O 1 ATOM 4740 C CB . LYS B 1 330 ? -28.487 -26.132 -66.822 1.00 99.32 ? 306 LYS B CB 1 ATOM 4741 C CG . LYS B 1 330 ? -28.732 -26.060 -68.322 1.00 101.69 ? 306 LYS B CG 1 ATOM 4742 C CD . LYS B 1 330 ? -30.058 -26.716 -68.695 1.00 103.73 ? 306 LYS B CD 1 ATOM 4743 C CE . LYS B 1 330 ? -30.128 -28.162 -68.237 1.00 103.14 ? 306 LYS B CE 1 ATOM 4744 N NZ . LYS B 1 330 ? -29.111 -29.014 -68.911 1.00 103.52 ? 306 LYS B NZ 1 ATOM 4745 N N . LEU B 1 331 ? -28.372 -24.566 -64.027 1.00 96.71 ? 307 LEU B N 1 ATOM 4746 C CA . LEU B 1 331 ? -28.364 -24.602 -62.563 1.00 94.57 ? 307 LEU B CA 1 ATOM 4747 C C . LEU B 1 331 ? -29.500 -25.457 -62.006 1.00 93.89 ? 307 LEU B C 1 ATOM 4748 O O . LEU B 1 331 ? -30.670 -25.186 -62.260 1.00 95.67 ? 307 LEU B O 1 ATOM 4749 C CB . LEU B 1 331 ? -28.459 -23.185 -61.995 1.00 95.51 ? 307 LEU B CB 1 ATOM 4750 C CG . LEU B 1 331 ? -28.624 -23.049 -60.481 1.00 74.05 ? 307 LEU B CG 1 ATOM 4751 C CD1 . LEU B 1 331 ? -27.429 -23.633 -59.754 1.00 71.47 ? 307 LEU B CD1 1 ATOM 4752 C CD2 . LEU B 1 331 ? -28.832 -21.596 -60.085 1.00 75.27 ? 307 LEU B CD2 1 ATOM 4753 N N . ILE B 1 332 ? -29.153 -26.483 -61.237 1.00 91.78 ? 308 ILE B N 1 ATOM 4754 C CA . ILE B 1 332 ? -30.156 -27.376 -60.669 1.00 92.73 ? 308 ILE B CA 1 ATOM 4755 C C . ILE B 1 332 ? -30.748 -26.789 -59.388 1.00 92.34 ? 308 ILE B C 1 ATOM 4756 O O . ILE B 1 332 ? -30.134 -26.855 -58.329 1.00 90.94 ? 308 ILE B O 1 ATOM 4757 C CB . ILE B 1 332 ? -29.558 -28.761 -60.377 1.00 92.43 ? 308 ILE B CB 1 ATOM 4758 C CG1 . ILE B 1 332 ? -28.838 -29.304 -61.614 1.00 93.27 ? 308 ILE B CG1 1 ATOM 4759 C CG2 . ILE B 1 332 ? -30.636 -29.719 -59.903 1.00 93.84 ? 308 ILE B CG2 1 ATOM 4760 C CD1 . ILE B 1 332 ? -29.733 -29.490 -62.823 1.00 96.12 ? 308 ILE B CD1 1 ATOM 4761 N N . THR B 1 333 ? -31.946 -26.221 -59.490 1.00 93.83 ? 309 THR B N 1 ATOM 4762 C CA . THR B 1 333 ? -32.556 -25.508 -58.370 1.00 93.91 ? 309 THR B CA 1 ATOM 4763 C C . THR B 1 333 ? -33.291 -26.422 -57.394 1.00 94.57 ? 309 THR B C 1 ATOM 4764 O O . THR B 1 333 ? -33.562 -26.033 -56.258 1.00 94.53 ? 309 THR B O 1 ATOM 4765 C CB . THR B 1 333 ? -33.535 -24.426 -58.859 1.00 95.69 ? 309 THR B CB 1 ATOM 4766 O OG1 . THR B 1 333 ? -34.549 -25.028 -59.673 1.00 97.77 ? 309 THR B OG1 1 ATOM 4767 C CG2 . THR B 1 333 ? -32.804 -23.378 -59.673 1.00 95.43 ? 309 THR B CG2 1 ATOM 4768 N N . GLU B 1 334 ? -33.617 -27.633 -57.831 1.00 95.72 ? 310 GLU B N 1 ATOM 4769 C CA . GLU B 1 334 ? -34.394 -28.540 -56.992 1.00 96.96 ? 310 GLU B CA 1 ATOM 4770 C C . GLU B 1 334 ? -33.596 -29.761 -56.549 1.00 95.19 ? 310 GLU B C 1 ATOM 4771 O O . GLU B 1 334 ? -33.229 -30.607 -57.366 1.00 95.00 ? 310 GLU B O 1 ATOM 4772 C CB . GLU B 1 334 ? -35.680 -28.957 -57.706 1.00 100.69 ? 310 GLU B CB 1 ATOM 4773 C CG . GLU B 1 334 ? -36.667 -27.811 -57.887 1.00 103.75 ? 310 GLU B CG 1 ATOM 4774 C CD . GLU B 1 334 ? -37.577 -27.986 -59.093 1.00 107.23 ? 310 GLU B CD 1 ATOM 4775 O OE1 . GLU B 1 334 ? -37.343 -28.908 -59.901 1.00 107.67 ? 310 GLU B OE1 1 ATOM 4776 O OE2 . GLU B 1 334 ? -38.529 -27.191 -59.239 1.00 109.53 ? 310 GLU B OE2 1 ATOM 4777 N N . TRP B 1 335 ? -33.342 -29.839 -55.244 1.00 93.90 ? 311 TRP B N 1 ATOM 4778 C CA . TRP B 1 335 ? -32.565 -30.928 -54.655 1.00 92.14 ? 311 TRP B CA 1 ATOM 4779 C C . TRP B 1 335 ? -33.302 -31.574 -53.491 1.00 92.44 ? 311 TRP B C 1 ATOM 4780 O O . TRP B 1 335 ? -34.283 -31.032 -52.990 1.00 93.84 ? 311 TRP B O 1 ATOM 4781 C CB . TRP B 1 335 ? -31.221 -30.406 -54.160 1.00 90.04 ? 311 TRP B CB 1 ATOM 4782 C CG . TRP B 1 335 ? -30.370 -29.853 -55.238 1.00 89.40 ? 311 TRP B CG 1 ATOM 4783 C CD1 . TRP B 1 335 ? -30.489 -28.635 -55.832 1.00 89.91 ? 311 TRP B CD1 1 ATOM 4784 C CD2 . TRP B 1 335 ? -29.252 -30.495 -55.855 1.00 88.22 ? 311 TRP B CD2 1 ATOM 4785 N NE1 . TRP B 1 335 ? -29.516 -28.480 -56.786 1.00 89.18 ? 311 TRP B NE1 1 ATOM 4786 C CE2 . TRP B 1 335 ? -28.742 -29.610 -56.820 1.00 88.05 ? 311 TRP B CE2 1 ATOM 4787 C CE3 . TRP B 1 335 ? -28.634 -31.736 -55.686 1.00 87.55 ? 311 TRP B CE3 1 ATOM 4788 C CZ2 . TRP B 1 335 ? -27.641 -29.925 -57.614 1.00 87.08 ? 311 TRP B CZ2 1 ATOM 4789 C CZ3 . TRP B 1 335 ? -27.543 -32.047 -56.474 1.00 86.53 ? 311 TRP B CZ3 1 ATOM 4790 C CH2 . TRP B 1 335 ? -27.058 -31.147 -57.425 1.00 86.20 ? 311 TRP B CH2 1 ATOM 4791 N N . CYS B 1 336 ? -32.808 -32.727 -53.052 1.00 91.33 ? 312 CYS B N 1 ATOM 4792 C CA . CYS B 1 336 ? -33.447 -33.473 -51.978 1.00 92.05 ? 312 CYS B CA 1 ATOM 4793 C C . CYS B 1 336 ? -32.488 -34.430 -51.285 1.00 89.84 ? 312 CYS B C 1 ATOM 4794 O O . CYS B 1 336 ? -31.345 -34.610 -51.710 1.00 87.93 ? 312 CYS B O 1 ATOM 4795 C CB . CYS B 1 336 ? -34.640 -34.265 -52.520 1.00 95.18 ? 312 CYS B CB 1 ATOM 4796 S SG . CYS B 1 336 ? -34.263 -35.304 -53.956 1.00 85.21 ? 312 CYS B SG 1 ATOM 4797 N N . CYS B 1 337 ? -32.982 -35.050 -50.218 1.00 90.09 ? 313 CYS B N 1 ATOM 4798 C CA . CYS B 1 337 ? -32.270 -36.115 -49.529 1.00 88.55 ? 313 CYS B CA 1 ATOM 4799 C C . CYS B 1 337 ? -33.267 -37.008 -48.799 1.00 90.39 ? 313 CYS B C 1 ATOM 4800 O O . CYS B 1 337 ? -34.346 -36.561 -48.413 1.00 80.05 ? 313 CYS B O 1 ATOM 4801 C CB . CYS B 1 337 ? -31.279 -35.533 -48.529 1.00 73.24 ? 313 CYS B CB 1 ATOM 4802 S SG . CYS B 1 337 ? -32.045 -34.545 -47.236 1.00 112.14 ? 313 CYS B SG 1 ATOM 4803 N N . ARG B 1 338 ? -32.900 -38.270 -48.613 1.00 89.91 ? 314 ARG B N 1 ATOM 4804 C CA . ARG B 1 338 ? -33.749 -39.209 -47.897 1.00 91.53 ? 314 ARG B CA 1 ATOM 4805 C C . ARG B 1 338 ? -33.796 -38.898 -46.412 1.00 90.76 ? 314 ARG B C 1 ATOM 4806 O O . ARG B 1 338 ? -34.865 -38.685 -45.849 1.00 92.25 ? 314 ARG B O 1 ATOM 4807 C CB . ARG B 1 338 ? -33.241 -40.633 -48.077 1.00 92.24 ? 314 ARG B CB 1 ATOM 4808 C CG . ARG B 1 338 ? -33.213 -41.120 -49.501 1.00 92.56 ? 314 ARG B CG 1 ATOM 4809 C CD . ARG B 1 338 ? -33.098 -42.626 -49.522 1.00 94.97 ? 314 ARG B CD 1 ATOM 4810 N NE . ARG B 1 338 ? -32.977 -43.150 -50.877 1.00 95.91 ? 314 ARG B NE 1 ATOM 4811 C CZ . ARG B 1 338 ? -33.125 -44.431 -51.194 1.00 99.07 ? 314 ARG B CZ 1 ATOM 4812 N NH1 . ARG B 1 338 ? -33.410 -45.320 -50.254 1.00 101.68 ? 314 ARG B NH1 1 ATOM 4813 N NH2 . ARG B 1 338 ? -32.996 -44.823 -52.454 1.00 99.75 ? 314 ARG B NH2 1 ATOM 4814 N N . SER B 1 339 ? -32.626 -38.879 -45.781 1.00 88.61 ? 315 SER B N 1 ATOM 4815 C CA . SER B 1 339 ? -32.544 -38.730 -44.333 1.00 88.66 ? 315 SER B CA 1 ATOM 4816 C C . SER B 1 339 ? -31.600 -37.621 -43.887 1.00 85.51 ? 315 SER B C 1 ATOM 4817 O O . SER B 1 339 ? -31.387 -37.440 -42.690 1.00 85.14 ? 315 SER B O 1 ATOM 4818 C CB . SER B 1 339 ? -32.095 -40.044 -43.693 1.00 89.82 ? 315 SER B CB 1 ATOM 4819 O OG . SER B 1 339 ? -30.705 -40.246 -43.876 1.00 87.12 ? 315 SER B OG 1 ATOM 4820 N N . CYS B 1 340 ? -31.033 -36.883 -44.838 1.00 83.68 ? 316 CYS B N 1 ATOM 4821 C CA . CYS B 1 340 ? -30.107 -35.809 -44.492 1.00 82.10 ? 316 CYS B CA 1 ATOM 4822 C C . CYS B 1 340 ? -30.821 -34.749 -43.659 1.00 83.95 ? 316 CYS B C 1 ATOM 4823 O O . CYS B 1 340 ? -32.048 -34.753 -43.557 1.00 86.69 ? 316 CYS B O 1 ATOM 4824 C CB . CYS B 1 340 ? -29.519 -35.169 -45.748 1.00 79.88 ? 316 CYS B CB 1 ATOM 4825 S SG . CYS B 1 340 ? -30.434 -33.725 -46.325 1.00 110.24 ? 316 CYS B SG 1 ATOM 4826 N N . THR B 1 341 ? -30.053 -33.846 -43.060 1.00 82.34 ? 317 THR B N 1 ATOM 4827 C CA . THR B 1 341 ? -30.630 -32.785 -42.245 1.00 83.54 ? 317 THR B CA 1 ATOM 4828 C C . THR B 1 341 ? -30.250 -31.407 -42.778 1.00 81.66 ? 317 THR B C 1 ATOM 4829 O O . THR B 1 341 ? -29.139 -31.208 -43.256 1.00 69.53 ? 317 THR B O 1 ATOM 4830 C CB . THR B 1 341 ? -30.204 -32.916 -40.778 1.00 84.98 ? 317 THR B CB 1 ATOM 4831 O OG1 . THR B 1 341 ? -28.788 -33.120 -40.710 1.00 83.73 ? 317 THR B OG1 1 ATOM 4832 C CG2 . THR B 1 341 ? -30.901 -34.099 -40.132 1.00 87.27 ? 317 THR B CG2 1 ATOM 4833 N N . LEU B 1 342 ? -31.184 -30.465 -42.699 1.00 82.72 ? 318 LEU B N 1 ATOM 4834 C CA . LEU B 1 342 ? -30.962 -29.117 -43.216 1.00 81.71 ? 318 LEU B CA 1 ATOM 4835 C C . LEU B 1 342 ? -30.431 -28.201 -42.111 1.00 81.52 ? 318 LEU B C 1 ATOM 4836 O O . LEU B 1 342 ? -30.790 -28.374 -40.946 1.00 82.79 ? 318 LEU B O 1 ATOM 4837 C CB . LEU B 1 342 ? -32.256 -28.553 -43.817 1.00 83.19 ? 318 LEU B CB 1 ATOM 4838 C CG . LEU B 1 342 ? -32.958 -29.416 -44.875 1.00 83.61 ? 318 LEU B CG 1 ATOM 4839 C CD1 . LEU B 1 342 ? -34.303 -28.831 -45.296 1.00 85.52 ? 318 LEU B CD1 1 ATOM 4840 C CD2 . LEU B 1 342 ? -32.072 -29.619 -46.091 1.00 81.32 ? 318 LEU B CD2 1 ATOM 4841 N N . PRO B 1 343 ? -29.567 -27.225 -42.460 1.00 80.28 ? 319 PRO B N 1 ATOM 4842 C CA . PRO B 1 343 ? -29.013 -26.862 -43.774 1.00 78.18 ? 319 PRO B CA 1 ATOM 4843 C C . PRO B 1 343 ? -28.125 -27.939 -44.375 1.00 76.37 ? 319 PRO B C 1 ATOM 4844 O O . PRO B 1 343 ? -27.407 -28.624 -43.654 1.00 75.59 ? 319 PRO B O 1 ATOM 4845 C CB . PRO B 1 343 ? -28.170 -25.622 -43.467 1.00 77.60 ? 319 PRO B CB 1 ATOM 4846 C CG . PRO B 1 343 ? -28.737 -25.073 -42.229 1.00 79.58 ? 319 PRO B CG 1 ATOM 4847 C CD . PRO B 1 343 ? -29.152 -26.263 -41.426 1.00 80.52 ? 319 PRO B CD 1 ATOM 4848 N N . PRO B 1 344 ? -28.170 -28.078 -45.702 1.00 75.44 ? 320 PRO B N 1 ATOM 4849 C CA . PRO B 1 344 ? -27.503 -29.175 -46.404 1.00 73.85 ? 320 PRO B CA 1 ATOM 4850 C C . PRO B 1 344 ? -25.989 -29.056 -46.412 1.00 70.85 ? 320 PRO B C 1 ATOM 4851 O O . PRO B 1 344 ? -25.448 -27.954 -46.353 1.00 70.13 ? 320 PRO B O 1 ATOM 4852 C CB . PRO B 1 344 ? -28.041 -29.042 -47.828 1.00 74.92 ? 320 PRO B CB 1 ATOM 4853 C CG . PRO B 1 344 ? -28.372 -27.605 -47.968 1.00 75.85 ? 320 PRO B CG 1 ATOM 4854 C CD . PRO B 1 344 ? -28.888 -27.186 -46.628 1.00 76.76 ? 320 PRO B CD 1 ATOM 4855 N N . LEU B 1 345 ? -25.322 -30.202 -46.486 1.00 69.62 ? 321 LEU B N 1 ATOM 4856 C CA . LEU B 1 345 ? -23.872 -30.257 -46.595 1.00 67.81 ? 321 LEU B CA 1 ATOM 4857 C C . LEU B 1 345 ? -23.463 -29.721 -47.963 1.00 67.16 ? 321 LEU B C 1 ATOM 4858 O O . LEU B 1 345 ? -23.688 -30.376 -48.979 1.00 66.74 ? 321 LEU B O 1 ATOM 4859 C CB . LEU B 1 345 ? -23.394 -31.706 -46.421 1.00 67.63 ? 321 LEU B CB 1 ATOM 4860 C CG . LEU B 1 345 ? -21.959 -32.044 -45.998 1.00 66.34 ? 321 LEU B CG 1 ATOM 4861 C CD1 . LEU B 1 345 ? -21.840 -33.517 -45.641 1.00 66.62 ? 321 LEU B CD1 1 ATOM 4862 C CD2 . LEU B 1 345 ? -20.956 -31.698 -47.079 1.00 65.18 ? 321 LEU B CD2 1 ATOM 4863 N N . ARG B 1 346 ? -22.865 -28.532 -47.985 1.00 67.41 ? 322 ARG B N 1 ATOM 4864 C CA . ARG B 1 346 ? -22.411 -27.941 -49.244 1.00 67.56 ? 322 ARG B CA 1 ATOM 4865 C C . ARG B 1 346 ? -20.903 -27.738 -49.303 1.00 66.38 ? 322 ARG B C 1 ATOM 4866 O O . ARG B 1 346 ? -20.241 -27.553 -48.275 1.00 65.79 ? 322 ARG B O 1 ATOM 4867 C CB . ARG B 1 346 ? -23.126 -26.616 -49.537 1.00 68.96 ? 322 ARG B CB 1 ATOM 4868 C CG . ARG B 1 346 ? -22.506 -25.397 -48.870 1.00 68.99 ? 322 ARG B CG 1 ATOM 4869 C CD . ARG B 1 346 ? -23.168 -24.106 -49.330 1.00 70.44 ? 322 ARG B CD 1 ATOM 4870 N NE . ARG B 1 346 ? -22.652 -22.938 -48.622 1.00 71.26 ? 322 ARG B NE 1 ATOM 4871 C CZ . ARG B 1 346 ? -22.990 -21.683 -48.897 1.00 73.34 ? 322 ARG B CZ 1 ATOM 4872 N NH1 . ARG B 1 346 ? -23.845 -21.417 -49.873 1.00 74.85 ? 322 ARG B NH1 1 ATOM 4873 N NH2 . ARG B 1 346 ? -22.467 -20.689 -48.196 1.00 74.11 ? 322 ARG B NH2 1 ATOM 4874 N N . TYR B 1 347 ? -20.376 -27.770 -50.522 1.00 66.69 ? 323 TYR B N 1 ATOM 4875 C CA . TYR B 1 347 ? -18.959 -27.535 -50.757 1.00 67.01 ? 323 TYR B CA 1 ATOM 4876 C C . TYR B 1 347 ? -18.760 -26.280 -51.599 1.00 70.17 ? 323 TYR B C 1 ATOM 4877 O O . TYR B 1 347 ? -19.148 -26.250 -52.760 1.00 70.80 ? 323 TYR B O 1 ATOM 4878 C CB . TYR B 1 347 ? -18.339 -28.718 -51.500 1.00 65.16 ? 323 TYR B CB 1 ATOM 4879 C CG . TYR B 1 347 ? -18.462 -30.053 -50.804 1.00 63.80 ? 323 TYR B CG 1 ATOM 4880 C CD1 . TYR B 1 347 ? -17.431 -30.546 -50.023 1.00 62.46 ? 323 TYR B CD1 1 ATOM 4881 C CD2 . TYR B 1 347 ? -19.597 -30.833 -50.953 1.00 64.26 ? 323 TYR B CD2 1 ATOM 4882 C CE1 . TYR B 1 347 ? -17.533 -31.769 -49.396 1.00 62.20 ? 323 TYR B CE1 1 ATOM 4883 C CE2 . TYR B 1 347 ? -19.707 -32.058 -50.330 1.00 63.97 ? 323 TYR B CE2 1 ATOM 4884 C CZ . TYR B 1 347 ? -18.672 -32.520 -49.551 1.00 62.85 ? 323 TYR B CZ 1 ATOM 4885 O OH . TYR B 1 347 ? -18.774 -33.739 -48.924 1.00 62.84 ? 323 TYR B OH 1 ATOM 4886 N N . ARG B 1 348 ? -18.155 -25.245 -51.026 1.00 72.89 ? 324 ARG B N 1 ATOM 4887 C CA . ARG B 1 348 ? -17.800 -24.073 -51.822 1.00 76.38 ? 324 ARG B CA 1 ATOM 4888 C C . ARG B 1 348 ? -16.381 -24.215 -52.359 1.00 78.80 ? 324 ARG B C 1 ATOM 4889 O O . ARG B 1 348 ? -15.411 -24.179 -51.600 1.00 78.36 ? 324 ARG B O 1 ATOM 4890 C CB . ARG B 1 348 ? -17.948 -22.779 -51.016 1.00 77.01 ? 324 ARG B CB 1 ATOM 4891 C CG . ARG B 1 348 ? -19.386 -22.442 -50.650 1.00 77.65 ? 324 ARG B CG 1 ATOM 4892 C CD . ARG B 1 348 ? -19.531 -21.009 -50.159 1.00 78.95 ? 324 ARG B CD 1 ATOM 4893 N NE . ARG B 1 348 ? -18.658 -20.719 -49.025 1.00 78.70 ? 324 ARG B NE 1 ATOM 4894 C CZ . ARG B 1 348 ? -18.682 -19.585 -48.332 1.00 80.28 ? 324 ARG B CZ 1 ATOM 4895 N NH1 . ARG B 1 348 ? -17.848 -19.411 -47.316 1.00 80.26 ? 324 ARG B NH1 1 ATOM 4896 N NH2 . ARG B 1 348 ? -19.538 -18.624 -48.649 1.00 81.95 ? 324 ARG B NH2 1 ATOM 4897 N N . GLY B 1 349 ? -16.265 -24.388 -53.672 1.00 82.12 ? 325 GLY B N 1 ATOM 4898 C CA . GLY B 1 349 ? -14.970 -24.577 -54.300 1.00 84.83 ? 325 GLY B CA 1 ATOM 4899 C C . GLY B 1 349 ? -14.630 -23.540 -55.355 1.00 88.88 ? 325 GLY B C 1 ATOM 4900 O O . GLY B 1 349 ? -14.943 -22.358 -55.209 1.00 90.42 ? 325 GLY B O 1 ATOM 4901 N N . GLU B 1 350 ? -13.977 -23.993 -56.420 1.00 90.95 ? 326 GLU B N 1 ATOM 4902 C CA . GLU B 1 350 ? -13.550 -23.122 -57.508 1.00 94.24 ? 326 GLU B CA 1 ATOM 4903 C C . GLU B 1 350 ? -14.641 -23.026 -58.568 1.00 95.46 ? 326 GLU B C 1 ATOM 4904 O O . GLU B 1 350 ? -15.038 -21.932 -58.973 1.00 96.93 ? 326 GLU B O 1 ATOM 4905 C CB . GLU B 1 350 ? -12.265 -23.668 -58.133 1.00 95.64 ? 326 GLU B CB 1 ATOM 4906 C CG . GLU B 1 350 ? -11.659 -22.792 -59.219 1.00 99.08 ? 326 GLU B CG 1 ATOM 4907 C CD . GLU B 1 350 ? -10.946 -21.576 -58.660 1.00 101.40 ? 326 GLU B CD 1 ATOM 4908 O OE1 . GLU B 1 350 ? -10.703 -21.539 -57.436 1.00 100.80 ? 326 GLU B OE1 1 ATOM 4909 O OE2 . GLU B 1 350 ? -10.628 -20.658 -59.446 1.00 103.89 ? 326 GLU B OE2 1 ATOM 4910 N N . ASP B 1 351 ? -15.126 -24.183 -59.007 1.00 94.90 ? 327 ASP B N 1 ATOM 4911 C CA . ASP B 1 351 ? -16.158 -24.239 -60.034 1.00 96.08 ? 327 ASP B CA 1 ATOM 4912 C C . ASP B 1 351 ? -17.565 -23.974 -59.495 1.00 95.55 ? 327 ASP B C 1 ATOM 4913 O O . ASP B 1 351 ? -18.541 -24.045 -60.242 1.00 97.18 ? 327 ASP B O 1 ATOM 4914 C CB . ASP B 1 351 ? -16.117 -25.579 -60.775 1.00 95.92 ? 327 ASP B CB 1 ATOM 4915 C CG . ASP B 1 351 ? -15.892 -26.752 -59.849 1.00 93.92 ? 327 ASP B CG 1 ATOM 4916 O OD1 . ASP B 1 351 ? -16.043 -26.579 -58.623 1.00 93.06 ? 327 ASP B OD1 1 ATOM 4917 O OD2 . ASP B 1 351 ? -15.569 -27.851 -60.348 1.00 93.28 ? 327 ASP B OD2 1 ATOM 4918 N N . GLY B 1 352 ? -17.669 -23.671 -58.204 1.00 93.08 ? 328 GLY B N 1 ATOM 4919 C CA . GLY B 1 352 ? -18.949 -23.312 -57.623 1.00 91.98 ? 328 GLY B CA 1 ATOM 4920 C C . GLY B 1 352 ? -19.369 -24.187 -56.460 1.00 89.28 ? 328 GLY B C 1 ATOM 4921 O O . GLY B 1 352 ? -18.542 -24.850 -55.840 1.00 88.30 ? 328 GLY B O 1 ATOM 4922 N N . CYS B 1 353 ? -20.667 -24.193 -56.175 1.00 87.79 ? 329 CYS B N 1 ATOM 4923 C CA . CYS B 1 353 ? -21.197 -24.901 -55.018 1.00 84.50 ? 329 CYS B CA 1 ATOM 4924 C C . CYS B 1 353 ? -21.558 -26.354 -55.327 1.00 81.37 ? 329 CYS B C 1 ATOM 4925 O O . CYS B 1 353 ? -22.050 -26.669 -56.408 1.00 81.98 ? 329 CYS B O 1 ATOM 4926 C CB . CYS B 1 353 ? -22.414 -24.163 -54.461 1.00 85.87 ? 329 CYS B CB 1 ATOM 4927 S SG . CYS B 1 353 ? -22.952 -24.732 -52.836 1.00 146.18 ? 329 CYS B SG 1 ATOM 4928 N N . TRP B 1 354 ? -21.304 -27.228 -54.360 1.00 77.79 ? 330 TRP B N 1 ATOM 4929 C CA . TRP B 1 354 ? -21.588 -28.652 -54.475 1.00 75.04 ? 330 TRP B CA 1 ATOM 4930 C C . TRP B 1 354 ? -22.456 -29.077 -53.303 1.00 74.33 ? 330 TRP B C 1 ATOM 4931 O O . TRP B 1 354 ? -22.599 -28.337 -52.335 1.00 74.64 ? 330 TRP B O 1 ATOM 4932 C CB . TRP B 1 354 ? -20.288 -29.449 -54.445 1.00 71.61 ? 330 TRP B CB 1 ATOM 4933 C CG . TRP B 1 354 ? -19.411 -29.203 -55.617 1.00 69.40 ? 330 TRP B CG 1 ATOM 4934 C CD1 . TRP B 1 354 ? -18.819 -28.028 -55.964 1.00 68.75 ? 330 TRP B CD1 1 ATOM 4935 C CD2 . TRP B 1 354 ? -19.013 -30.162 -56.601 1.00 68.23 ? 330 TRP B CD2 1 ATOM 4936 N NE1 . TRP B 1 354 ? -18.082 -28.193 -57.111 1.00 68.45 ? 330 TRP B NE1 1 ATOM 4937 C CE2 . TRP B 1 354 ? -18.183 -29.497 -57.520 1.00 68.09 ? 330 TRP B CE2 1 ATOM 4938 C CE3 . TRP B 1 354 ? -19.280 -31.519 -56.794 1.00 67.66 ? 330 TRP B CE3 1 ATOM 4939 C CZ2 . TRP B 1 354 ? -17.619 -30.144 -58.618 1.00 68.04 ? 330 TRP B CZ2 1 ATOM 4940 C CZ3 . TRP B 1 354 ? -18.720 -32.157 -57.881 1.00 67.75 ? 330 TRP B CZ3 1 ATOM 4941 C CH2 . TRP B 1 354 ? -17.899 -31.472 -58.779 1.00 67.92 ? 330 TRP B CH2 1 ATOM 4942 N N . TYR B 1 355 ? -23.027 -30.271 -53.385 1.00 73.79 ? 331 TYR B N 1 ATOM 4943 C CA . TYR B 1 355 ? -23.837 -30.790 -52.292 1.00 73.90 ? 331 TYR B CA 1 ATOM 4944 C C . TYR B 1 355 ? -23.306 -32.129 -51.802 1.00 72.86 ? 331 TYR B C 1 ATOM 4945 O O . TYR B 1 355 ? -22.477 -32.752 -52.459 1.00 71.97 ? 331 TYR B O 1 ATOM 4946 C CB . TYR B 1 355 ? -25.305 -30.900 -52.711 1.00 76.14 ? 331 TYR B CB 1 ATOM 4947 C CG . TYR B 1 355 ? -26.079 -29.617 -52.506 1.00 77.56 ? 331 TYR B CG 1 ATOM 4948 C CD1 . TYR B 1 355 ? -25.935 -28.882 -51.339 1.00 77.72 ? 331 TYR B CD1 1 ATOM 4949 C CD2 . TYR B 1 355 ? -26.940 -29.135 -53.481 1.00 79.06 ? 331 TYR B CD2 1 ATOM 4950 C CE1 . TYR B 1 355 ? -26.633 -27.709 -51.143 1.00 78.94 ? 331 TYR B CE1 1 ATOM 4951 C CE2 . TYR B 1 355 ? -27.642 -27.959 -53.294 1.00 80.29 ? 331 TYR B CE2 1 ATOM 4952 C CZ . TYR B 1 355 ? -27.484 -27.251 -52.122 1.00 80.29 ? 331 TYR B CZ 1 ATOM 4953 O OH . TYR B 1 355 ? -28.177 -26.080 -51.921 1.00 81.76 ? 331 TYR B OH 1 ATOM 4954 N N . GLY B 1 356 ? -23.780 -32.562 -50.640 1.00 73.42 ? 332 GLY B N 1 ATOM 4955 C CA . GLY B 1 356 ? -23.338 -33.817 -50.058 1.00 73.47 ? 332 GLY B CA 1 ATOM 4956 C C . GLY B 1 356 ? -23.694 -35.030 -50.895 1.00 74.57 ? 332 GLY B C 1 ATOM 4957 O O . GLY B 1 356 ? -24.450 -34.927 -51.862 1.00 75.53 ? 332 GLY B O 1 ATOM 4958 N N . MET B 1 357 ? -23.142 -36.181 -50.520 1.00 74.55 ? 333 MET B N 1 ATOM 4959 C CA . MET B 1 357 ? -23.393 -37.428 -51.230 1.00 76.25 ? 333 MET B CA 1 ATOM 4960 C C . MET B 1 357 ? -24.857 -37.830 -51.125 1.00 79.03 ? 333 MET B C 1 ATOM 4961 O O . MET B 1 357 ? -25.419 -38.410 -52.050 1.00 81.04 ? 333 MET B O 1 ATOM 4962 C CB . MET B 1 357 ? -22.510 -38.547 -50.678 1.00 76.33 ? 333 MET B CB 1 ATOM 4963 C CG . MET B 1 357 ? -21.037 -38.397 -50.985 1.00 74.66 ? 333 MET B CG 1 ATOM 4964 S SD . MET B 1 357 ? -20.080 -39.829 -50.463 1.00 61.12 ? 333 MET B SD 1 ATOM 4965 C CE . MET B 1 357 ? -20.876 -41.106 -51.419 1.00 79.97 ? 333 MET B CE 1 ATOM 4966 N N . GLU B 1 358 ? -25.469 -37.505 -49.993 1.00 79.32 ? 334 GLU B N 1 ATOM 4967 C CA . GLU B 1 358 ? -26.858 -37.863 -49.739 1.00 81.67 ? 334 GLU B CA 1 ATOM 4968 C C . GLU B 1 358 ? -27.822 -37.026 -50.574 1.00 81.84 ? 334 GLU B C 1 ATOM 4969 O O . GLU B 1 358 ? -28.989 -37.387 -50.737 1.00 84.15 ? 334 GLU B O 1 ATOM 4970 C CB . GLU B 1 358 ? -27.189 -37.678 -48.256 1.00 82.56 ? 334 GLU B CB 1 ATOM 4971 C CG . GLU B 1 358 ? -25.991 -37.377 -47.364 1.00 80.86 ? 334 GLU B CG 1 ATOM 4972 C CD . GLU B 1 358 ? -25.148 -38.600 -47.074 1.00 81.05 ? 334 GLU B CD 1 ATOM 4973 O OE1 . GLU B 1 358 ? -24.298 -38.952 -47.916 1.00 79.99 ? 334 GLU B OE1 1 ATOM 4974 O OE2 . GLU B 1 358 ? -25.326 -39.214 -46.001 1.00 82.43 ? 334 GLU B OE2 1 ATOM 4975 N N . ILE B 1 359 ? -27.330 -35.910 -51.102 1.00 79.50 ? 335 ILE B N 1 ATOM 4976 C CA . ILE B 1 359 ? -28.190 -34.952 -51.786 1.00 79.76 ? 335 ILE B CA 1 ATOM 4977 C C . ILE B 1 359 ? -28.233 -35.165 -53.289 1.00 79.74 ? 335 ILE B C 1 ATOM 4978 O O . ILE B 1 359 ? -27.201 -35.171 -53.959 1.00 78.28 ? 335 ILE B O 1 ATOM 4979 C CB . ILE B 1 359 ? -27.756 -33.520 -51.506 1.00 78.64 ? 335 ILE B CB 1 ATOM 4980 C CG1 . ILE B 1 359 ? -27.595 -33.318 -50.001 1.00 78.33 ? 335 ILE B CG1 1 ATOM 4981 C CG2 . ILE B 1 359 ? -28.765 -32.541 -52.083 1.00 80.00 ? 335 ILE B CG2 1 ATOM 4982 C CD1 . ILE B 1 359 ? -27.105 -31.951 -49.625 1.00 77.30 ? 335 ILE B CD1 1 ATOM 4983 N N . ARG B 1 360 ? -29.444 -35.325 -53.812 1.00 81.51 ? 336 ARG B N 1 ATOM 4984 C CA . ARG B 1 360 ? -29.628 -35.624 -55.223 1.00 81.93 ? 336 ARG B CA 1 ATOM 4985 C C . ARG B 1 360 ? -30.515 -34.577 -55.872 1.00 83.07 ? 336 ARG B C 1 ATOM 4986 O O . ARG B 1 360 ? -31.292 -33.915 -55.191 1.00 83.47 ? 336 ARG B O 1 ATOM 4987 C CB . ARG B 1 360 ? -30.235 -37.020 -55.388 1.00 83.34 ? 336 ARG B CB 1 ATOM 4988 C CG . ARG B 1 360 ? -29.460 -38.140 -54.701 1.00 82.34 ? 336 ARG B CG 1 ATOM 4989 C CD . ARG B 1 360 ? -28.133 -38.443 -55.386 1.00 80.63 ? 336 ARG B CD 1 ATOM 4990 N NE . ARG B 1 360 ? -27.107 -37.455 -55.068 1.00 78.28 ? 336 ARG B NE 1 ATOM 4991 C CZ . ARG B 1 360 ? -25.851 -37.506 -55.496 1.00 77.25 ? 336 ARG B CZ 1 ATOM 4992 N NH1 . ARG B 1 360 ? -24.994 -36.556 -55.150 1.00 75.19 ? 336 ARG B NH1 1 ATOM 4993 N NH2 . ARG B 1 360 ? -25.450 -38.506 -56.265 1.00 78.41 ? 336 ARG B NH2 1 ATOM 4994 N N . PRO B 1 361 ? -30.386 -34.405 -57.194 1.00 83.91 ? 337 PRO B N 1 ATOM 4995 C CA . PRO B 1 361 ? -31.304 -33.506 -57.893 1.00 85.82 ? 337 PRO B CA 1 ATOM 4996 C C . PRO B 1 361 ? -32.711 -34.072 -57.813 1.00 88.57 ? 337 PRO B C 1 ATOM 4997 O O . PRO B 1 361 ? -32.914 -35.261 -58.064 1.00 89.53 ? 337 PRO B O 1 ATOM 4998 C CB . PRO B 1 361 ? -30.791 -33.532 -59.337 1.00 86.18 ? 337 PRO B CB 1 ATOM 4999 C CG . PRO B 1 361 ? -30.009 -34.791 -59.448 1.00 73.77 ? 337 PRO B CG 1 ATOM 5000 C CD . PRO B 1 361 ? -29.399 -35.003 -58.105 1.00 83.27 ? 337 PRO B CD 1 ATOM 5001 N N . LEU B 1 362 ? -33.663 -33.226 -57.444 1.00 90.04 ? 338 LEU B N 1 ATOM 5002 C CA . LEU B 1 362 ? -35.030 -33.663 -57.215 1.00 93.45 ? 338 LEU B CA 1 ATOM 5003 C C . LEU B 1 362 ? -35.630 -34.326 -58.450 1.00 96.30 ? 338 LEU B C 1 ATOM 5004 O O . LEU B 1 362 ? -36.201 -35.414 -58.363 1.00 98.14 ? 338 LEU B O 1 ATOM 5005 C CB . LEU B 1 362 ? -35.889 -32.476 -56.779 1.00 94.33 ? 338 LEU B CB 1 ATOM 5006 C CG . LEU B 1 362 ? -37.346 -32.755 -56.422 1.00 84.23 ? 338 LEU B CG 1 ATOM 5007 C CD1 . LEU B 1 362 ? -37.437 -33.922 -55.466 1.00 84.75 ? 338 LEU B CD1 1 ATOM 5008 C CD2 . LEU B 1 362 ? -37.981 -31.519 -55.813 1.00 84.69 ? 338 LEU B CD2 1 ATOM 5009 N N . LYS B 1 363 ? -35.481 -33.671 -59.597 1.00 96.62 ? 339 LYS B N 1 ATOM 5010 C CA . LYS B 1 363 ? -36.131 -34.120 -60.820 1.00 99.20 ? 339 LYS B CA 1 ATOM 5011 C C . LYS B 1 363 ? -35.135 -34.447 -61.923 1.00 98.13 ? 339 LYS B C 1 ATOM 5012 O O . LYS B 1 363 ? -35.212 -35.508 -62.538 1.00 99.72 ? 339 LYS B O 1 ATOM 5013 C CB . LYS B 1 363 ? -37.124 -33.061 -61.300 1.00 101.05 ? 339 LYS B CB 1 ATOM 5014 C CG . LYS B 1 363 ? -38.169 -32.696 -60.259 1.00 102.24 ? 339 LYS B CG 1 ATOM 5015 C CD . LYS B 1 363 ? -39.049 -31.546 -60.716 1.00 104.27 ? 339 LYS B CD 1 ATOM 5016 C CE . LYS B 1 363 ? -40.080 -31.196 -59.653 1.00 105.92 ? 339 LYS B CE 1 ATOM 5017 N NZ . LYS B 1 363 ? -40.927 -30.036 -60.045 1.00 108.09 ? 339 LYS B NZ 1 ATOM 5018 N N . GLU B 1 364 ? -34.208 -33.528 -62.170 1.00 95.90 ? 340 GLU B N 1 ATOM 5019 C CA . GLU B 1 364 ? -33.213 -33.694 -63.224 1.00 94.86 ? 340 GLU B CA 1 ATOM 5020 C C . GLU B 1 364 ? -32.433 -34.992 -63.060 1.00 93.51 ? 340 GLU B C 1 ATOM 5021 O O . GLU B 1 364 ? -32.003 -35.326 -61.959 1.00 91.64 ? 340 GLU B O 1 ATOM 5022 C CB . GLU B 1 364 ? -32.245 -32.510 -63.228 1.00 92.80 ? 340 GLU B CB 1 ATOM 5023 C CG . GLU B 1 364 ? -31.220 -32.552 -64.344 1.00 92.54 ? 340 GLU B CG 1 ATOM 5024 C CD . GLU B 1 364 ? -31.835 -32.343 -65.705 1.00 95.31 ? 340 GLU B CD 1 ATOM 5025 O OE1 . GLU B 1 364 ? -31.279 -32.855 -66.696 1.00 96.08 ? 340 GLU B OE1 1 ATOM 5026 O OE2 . GLU B 1 364 ? -32.874 -31.659 -65.783 1.00 97.00 ? 340 GLU B OE2 1 ATOM 5027 N N . LYS B 1 365 ? -32.278 -35.729 -64.155 1.00 94.52 ? 341 LYS B N 1 ATOM 5028 C CA . LYS B 1 365 ? -31.499 -36.959 -64.141 1.00 93.74 ? 341 LYS B CA 1 ATOM 5029 C C . LYS B 1 365 ? -30.083 -36.632 -63.710 1.00 90.20 ? 341 LYS B C 1 ATOM 5030 O O . LYS B 1 365 ? -29.491 -35.677 -64.203 1.00 89.02 ? 341 LYS B O 1 ATOM 5031 C CB . LYS B 1 365 ? -31.487 -37.595 -65.529 1.00 96.13 ? 341 LYS B CB 1 ATOM 5032 C CG . LYS B 1 365 ? -30.676 -38.877 -65.615 1.00 96.36 ? 341 LYS B CG 1 ATOM 5033 C CD . LYS B 1 365 ? -30.610 -39.384 -67.045 1.00 99.06 ? 341 LYS B CD 1 ATOM 5034 C CE . LYS B 1 365 ? -29.991 -40.768 -67.110 1.00 99.99 ? 341 LYS B CE 1 ATOM 5035 N NZ . LYS B 1 365 ? -29.881 -41.268 -68.510 1.00 102.70 ? 341 LYS B NZ 1 ATOM 5036 N N . GLU B 1 366 ? -29.543 -37.419 -62.785 1.00 88.99 ? 342 GLU B N 1 ATOM 5037 C CA . GLU B 1 366 ? -28.234 -37.115 -62.214 1.00 86.42 ? 342 GLU B CA 1 ATOM 5038 C C . GLU B 1 366 ? -27.106 -37.287 -63.229 1.00 85.64 ? 342 GLU B C 1 ATOM 5039 O O . GLU B 1 366 ? -26.011 -36.757 -63.044 1.00 72.73 ? 342 GLU B O 1 ATOM 5040 C CB . GLU B 1 366 ? -27.968 -37.967 -60.970 1.00 86.04 ? 342 GLU B CB 1 ATOM 5041 C CG . GLU B 1 366 ? -27.488 -39.376 -61.261 1.00 87.45 ? 342 GLU B CG 1 ATOM 5042 C CD . GLU B 1 366 ? -27.047 -40.112 -60.011 1.00 86.73 ? 342 GLU B CD 1 ATOM 5043 O OE1 . GLU B 1 366 ? -26.265 -41.075 -60.136 1.00 87.13 ? 342 GLU B OE1 1 ATOM 5044 O OE2 . GLU B 1 366 ? -27.483 -39.735 -58.905 1.00 85.86 ? 342 GLU B OE2 1 ATOM 5045 N N . GLU B 1 367 ? -27.382 -38.020 -64.304 1.00 87.52 ? 343 GLU B N 1 ATOM 5046 C CA . GLU B 1 367 ? -26.386 -38.250 -65.344 1.00 87.10 ? 343 GLU B CA 1 ATOM 5047 C C . GLU B 1 367 ? -26.211 -37.025 -66.227 1.00 87.20 ? 343 GLU B C 1 ATOM 5048 O O . GLU B 1 367 ? -25.308 -36.969 -67.060 1.00 87.44 ? 343 GLU B O 1 ATOM 5049 C CB . GLU B 1 367 ? -26.763 -39.458 -66.198 1.00 89.21 ? 343 GLU B CB 1 ATOM 5050 C CG . GLU B 1 367 ? -26.739 -40.776 -65.448 1.00 89.00 ? 343 GLU B CG 1 ATOM 5051 C CD . GLU B 1 367 ? -26.445 -41.950 -66.357 1.00 90.81 ? 343 GLU B CD 1 ATOM 5052 O OE1 . GLU B 1 367 ? -26.204 -41.720 -67.562 1.00 91.85 ? 343 GLU B OE1 1 ATOM 5053 O OE2 . GLU B 1 367 ? -26.447 -43.099 -65.867 1.00 91.46 ? 343 GLU B OE2 1 ATOM 5054 N N . ASN B 1 368 ? -27.089 -36.048 -66.046 1.00 87.47 ? 344 ASN B N 1 ATOM 5055 C CA . ASN B 1 368 ? -26.956 -34.785 -66.746 1.00 87.78 ? 344 ASN B CA 1 ATOM 5056 C C . ASN B 1 368 ? -26.109 -33.823 -65.918 1.00 85.52 ? 344 ASN B C 1 ATOM 5057 O O . ASN B 1 368 ? -25.829 -32.706 -66.343 1.00 85.38 ? 344 ASN B O 1 ATOM 5058 C CB . ASN B 1 368 ? -28.334 -34.186 -67.023 1.00 90.00 ? 344 ASN B CB 1 ATOM 5059 C CG . ASN B 1 368 ? -29.335 -35.224 -67.490 1.00 93.10 ? 344 ASN B CG 1 ATOM 5060 O OD1 . ASN B 1 368 ? -28.960 -36.301 -67.948 1.00 94.28 ? 344 ASN B OD1 1 ATOM 5061 N ND2 . ASN B 1 368 ? -30.617 -34.899 -67.386 1.00 83.93 ? 344 ASN B ND2 1 ATOM 5062 N N . LEU B 1 369 ? -25.698 -34.274 -64.735 1.00 83.92 ? 345 LEU B N 1 ATOM 5063 C CA . LEU B 1 369 ? -24.926 -33.439 -63.815 1.00 81.68 ? 345 LEU B CA 1 ATOM 5064 C C . LEU B 1 369 ? -23.466 -33.869 -63.697 1.00 81.44 ? 345 LEU B C 1 ATOM 5065 O O . LEU B 1 369 ? -23.107 -35.006 -64.006 1.00 81.50 ? 345 LEU B O 1 ATOM 5066 C CB . LEU B 1 369 ? -25.565 -33.420 -62.423 1.00 79.21 ? 345 LEU B CB 1 ATOM 5067 C CG . LEU B 1 369 ? -26.771 -32.506 -62.205 1.00 78.57 ? 345 LEU B CG 1 ATOM 5068 C CD1 . LEU B 1 369 ? -28.022 -33.099 -62.812 1.00 80.37 ? 345 LEU B CD1 1 ATOM 5069 C CD2 . LEU B 1 369 ? -26.973 -32.242 -60.729 1.00 76.75 ? 345 LEU B CD2 1 ATOM 5070 N N . VAL B 1 370 ? -22.631 -32.946 -63.234 1.00 81.75 ? 346 VAL B N 1 ATOM 5071 C CA . VAL B 1 370 ? -21.207 -33.208 -63.087 1.00 82.89 ? 346 VAL B CA 1 ATOM 5072 C C . VAL B 1 370 ? -20.898 -33.725 -61.686 1.00 84.07 ? 346 VAL B C 1 ATOM 5073 O O . VAL B 1 370 ? -21.362 -33.167 -60.694 1.00 83.43 ? 346 VAL B O 1 ATOM 5074 C CB . VAL B 1 370 ? -20.380 -31.945 -63.379 1.00 82.45 ? 346 VAL B CB 1 ATOM 5075 C CG1 . VAL B 1 370 ? -18.896 -32.268 -63.393 1.00 81.54 ? 346 VAL B CG1 1 ATOM 5076 C CG2 . VAL B 1 370 ? -20.801 -31.343 -64.709 1.00 67.33 ? 346 VAL B CG2 1 ATOM 5077 N N . ASN B 1 371 ? -20.120 -34.800 -61.615 1.00 86.61 ? 347 ASN B N 1 ATOM 5078 C CA . ASN B 1 371 ? -19.751 -35.396 -60.339 1.00 88.31 ? 347 ASN B CA 1 ATOM 5079 C C . ASN B 1 371 ? -18.252 -35.607 -60.232 1.00 90.97 ? 347 ASN B C 1 ATOM 5080 O O . ASN B 1 371 ? -17.508 -35.349 -61.176 1.00 91.05 ? 347 ASN B O 1 ATOM 5081 C CB . ASN B 1 371 ? -20.472 -36.732 -60.128 1.00 88.58 ? 347 ASN B CB 1 ATOM 5082 C CG . ASN B 1 371 ? -20.162 -37.742 -61.218 1.00 89.35 ? 347 ASN B CG 1 ATOM 5083 O OD1 . ASN B 1 371 ? -19.207 -38.509 -61.114 1.00 88.60 ? 347 ASN B OD1 1 ATOM 5084 N ND2 . ASN B 1 371 ? -20.974 -37.750 -62.269 1.00 91.13 ? 347 ASN B ND2 1 ATOM 5085 N N . SER B 1 372 ? -17.818 -36.080 -59.070 1.00 94.01 ? 348 SER B N 1 ATOM 5086 C CA . SER B 1 372 ? -16.420 -36.419 -58.855 1.00 96.80 ? 348 SER B CA 1 ATOM 5087 C C . SER B 1 372 ? -16.069 -37.679 -59.639 1.00 100.78 ? 348 SER B C 1 ATOM 5088 O O . SER B 1 372 ? -16.607 -38.752 -59.372 1.00 101.37 ? 348 SER B O 1 ATOM 5089 C CB . SER B 1 372 ? -16.162 -36.633 -57.364 1.00 96.17 ? 348 SER B CB 1 ATOM 5090 O OG . SER B 1 372 ? -14.817 -36.998 -57.123 1.00 95.74 ? 348 SER B OG 1 ATOM 5091 N N . LEU B 1 373 ? -15.173 -37.539 -60.613 1.00 103.88 ? 349 LEU B N 1 ATOM 5092 C CA . LEU B 1 373 ? -14.752 -38.666 -61.440 1.00 107.26 ? 349 LEU B CA 1 ATOM 5093 C C . LEU B 1 373 ? -13.488 -39.315 -60.887 1.00 107.11 ? 349 LEU B C 1 ATOM 5094 O O . LEU B 1 373 ? -13.500 -39.900 -59.804 1.00 106.79 ? 349 LEU B O 1 ATOM 5095 C CB . LEU B 1 373 ? -14.511 -38.215 -62.881 1.00 109.28 ? 349 LEU B CB 1 ATOM 5096 C CG . LEU B 1 373 ? -15.691 -37.560 -63.596 1.00 110.69 ? 349 LEU B CG 1 ATOM 5097 C CD1 . LEU B 1 373 ? -15.297 -37.138 -65.000 1.00 112.22 ? 349 LEU B CD1 1 ATOM 5098 C CD2 . LEU B 1 373 ? -16.873 -38.509 -63.634 1.00 112.11 ? 349 LEU B CD2 1 HETATM 5099 C C1 . NAG C 2 . ? 13.106 -37.431 -21.862 1.00 67.37 ? 401 NAG A C1 1 HETATM 5100 C C2 . NAG C 2 . ? 13.862 -36.533 -20.880 1.00 70.37 ? 401 NAG A C2 1 HETATM 5101 C C3 . NAG C 2 . ? 15.309 -36.998 -20.737 1.00 71.45 ? 401 NAG A C3 1 HETATM 5102 C C4 . NAG C 2 . ? 15.354 -38.475 -20.364 1.00 71.74 ? 401 NAG A C4 1 HETATM 5103 C C5 . NAG C 2 . ? 14.556 -39.289 -21.379 1.00 71.18 ? 401 NAG A C5 1 HETATM 5104 C C6 . NAG C 2 . ? 14.468 -40.755 -21.020 1.00 71.74 ? 401 NAG A C6 1 HETATM 5105 C C7 . NAG C 2 . ? 13.440 -34.142 -20.503 1.00 73.27 ? 401 NAG A C7 1 HETATM 5106 C C8 . NAG C 2 . ? 13.066 -34.527 -19.101 1.00 73.71 ? 401 NAG A C8 1 HETATM 5107 N N2 . NAG C 2 . ? 13.813 -35.141 -21.308 1.00 71.86 ? 401 NAG A N2 1 HETATM 5108 O O3 . NAG C 2 . ? 15.969 -36.221 -19.744 1.00 71.78 ? 401 NAG A O3 1 HETATM 5109 O O4 . NAG C 2 . ? 16.700 -38.939 -20.335 1.00 71.86 ? 401 NAG A O4 1 HETATM 5110 O O5 . NAG C 2 . ? 13.209 -38.797 -21.437 1.00 69.69 ? 401 NAG A O5 1 HETATM 5111 O O6 . NAG C 2 . ? 13.283 -41.347 -21.535 1.00 71.93 ? 401 NAG A O6 1 HETATM 5112 O O7 . NAG C 2 . ? 13.406 -32.978 -20.888 1.00 73.77 ? 401 NAG A O7 1 HETATM 5113 C C1 . NAG D 2 . ? -29.053 -23.643 -34.190 1.00 59.60 ? 401 NAG B C1 1 HETATM 5114 C C2 . NAG D 2 . ? -28.764 -22.280 -34.805 1.00 62.04 ? 401 NAG B C2 1 HETATM 5115 C C3 . NAG D 2 . ? -30.062 -21.489 -34.949 1.00 62.88 ? 401 NAG B C3 1 HETATM 5116 C C4 . NAG D 2 . ? -31.096 -22.296 -35.720 1.00 63.40 ? 401 NAG B C4 1 HETATM 5117 C C5 . NAG D 2 . ? -31.276 -23.670 -35.078 1.00 63.02 ? 401 NAG B C5 1 HETATM 5118 C C6 . NAG D 2 . ? -32.188 -24.576 -35.873 1.00 63.77 ? 401 NAG B C6 1 HETATM 5119 C C7 . NAG D 2 . ? -26.630 -21.114 -34.504 1.00 64.06 ? 401 NAG B C7 1 HETATM 5120 C C8 . NAG D 2 . ? -25.758 -20.356 -33.551 1.00 64.26 ? 401 NAG B C8 1 HETATM 5121 N N2 . NAG D 2 . ? -27.800 -21.541 -34.015 1.00 63.22 ? 401 NAG B N2 1 HETATM 5122 O O3 . NAG D 2 . ? -29.800 -20.259 -35.617 1.00 63.17 ? 401 NAG B O3 1 HETATM 5123 O O4 . NAG D 2 . ? -32.342 -21.608 -35.721 1.00 63.90 ? 401 NAG B O4 1 HETATM 5124 O O5 . NAG D 2 . ? -30.008 -24.339 -34.986 1.00 61.69 ? 401 NAG B O5 1 HETATM 5125 O O6 . NAG D 2 . ? -33.119 -23.823 -36.639 1.00 64.13 ? 401 NAG B O6 1 HETATM 5126 O O7 . NAG D 2 . ? -26.293 -21.332 -35.666 1.00 64.11 ? 401 NAG B O7 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 . ALA A 24 ? 1.3388 0.7036 1.2885 -0.2271 -0.0537 0.1429 0 ALA A N 2 C CA . ALA A 24 ? 1.3130 0.6868 1.2599 -0.2300 -0.0488 0.1059 0 ALA A CA 3 C C . ALA A 24 ? 1.3087 0.6758 1.2771 -0.2229 -0.0210 0.0944 0 ALA A C 4 O O . ALA A 24 ? 1.3340 0.6851 1.3184 -0.2181 -0.0022 0.1132 0 ALA A O 5 C CB . ALA A 24 ? 1.3251 0.7000 1.2406 -0.2506 -0.0632 0.0901 0 ALA A CB 6 N N . ASP A 25 ? 1.2815 0.6617 1.2531 -0.2228 -0.0202 0.0647 1 ASP A N 7 C CA . ASP A 25 ? 1.2720 0.6500 1.2619 -0.2193 -0.0052 0.0521 1 ASP A CA 8 C C . ASP A 25 ? 1.2813 0.6579 1.2483 -0.2343 -0.0085 0.0343 1 ASP A C 9 O O . ASP A 25 ? 1.2650 0.6553 1.2153 -0.2408 -0.0173 0.0124 1 ASP A O 10 C CB . ASP A 25 ? 1.2431 0.6371 1.2477 -0.2098 -0.0049 0.0349 1 ASP A CB 11 C CG . ASP A 25 ? 1.2333 0.6259 1.2542 -0.1949 0.0021 0.0528 1 ASP A CG 12 O OD1 . ASP A 25 ? 1.2539 0.6345 1.2677 -0.1920 0.0026 0.0777 1 ASP A OD1 13 O OD2 . ASP A 25 ? 1.2096 0.6119 1.2443 -0.1871 0.0060 0.0435 1 ASP A OD2 14 N N . SER A 26 ? 1.3098 0.6691 1.2781 -0.2394 0.0009 0.0456 2 SER A N 15 C CA . SER A 26 ? 1.3273 0.6817 1.2693 -0.2543 0.0013 0.0319 2 SER A CA 16 C C . SER A 26 ? 1.3188 0.6671 1.2624 -0.2536 0.0099 0.0174 2 SER A C 17 O O . SER A 26 ? 1.3341 0.6687 1.2978 -0.2462 0.0173 0.0289 2 SER A O 18 C CB . SER A 26 ? 1.3668 0.7054 1.3021 -0.2645 0.0051 0.0557 2 SER A CB 19 O OG . SER A 26 ? 1.3854 0.7209 1.2908 -0.2807 0.0055 0.0426 2 SER A OG 20 N N . GLY A 27 ? 1.2991 0.6559 1.2192 -0.2624 0.0090 -0.0069 3 GLY A N 21 C CA . GLY A 27 ? 1.0643 0.4153 0.9766 -0.2649 0.0172 -0.0221 3 GLY A CA 22 C C . GLY A 27 ? 1.2052 0.5702 1.0972 -0.2751 0.0172 -0.0448 3 GLY A C 23 O O . GLY A 27 ? 1.0599 0.4341 0.9412 -0.2819 0.0129 -0.0486 3 GLY A O 24 N N . CYS A 28 ? 1.2153 0.5806 1.1020 -0.2774 0.0230 -0.0591 4 CYS A N 25 C CA . CYS A 28 ? 1.2227 0.6023 1.0981 -0.2877 0.0246 -0.0772 4 CYS A CA 26 C C . CYS A 28 ? 1.2118 0.6097 1.0956 -0.2846 0.0198 -0.0904 4 CYS A C 27 O O . CYS A 28 ? 1.2073 0.5971 1.0921 -0.2804 0.0222 -0.0905 4 CYS A O 28 C CB . CYS A 28 ? 1.2550 0.6164 1.1150 -0.3008 0.0379 -0.0799 4 CYS A CB 29 S SG . CYS A 28 ? 2.3030 1.6510 2.1530 -0.3104 0.0425 -0.0667 4 CYS A SG 30 N N . VAL A 29 ? 1.2080 0.6298 1.0989 -0.2878 0.0135 -0.1005 5 VAL A N 31 C CA . VAL A 29 ? 1.1928 0.6363 1.0990 -0.2865 0.0063 -0.1099 5 VAL A CA 32 C C . VAL A 29 ? 1.1997 0.6575 1.1080 -0.2991 0.0079 -0.1208 5 VAL A C 33 O O . VAL A 29 ? 1.2082 0.6654 1.1114 -0.3047 0.0120 -0.1218 5 VAL A O 34 C CB . VAL A 29 ? 1.3211 0.7844 1.2533 -0.2735 -0.0070 -0.1065 5 VAL A CB 35 C CG1 . VAL A 29 ? 1.2991 0.7851 1.2525 -0.2727 -0.0152 -0.1133 5 VAL A CG1 36 C CG2 . VAL A 29 ? 1.3159 0.7661 1.2510 -0.2619 -0.0081 -0.0932 5 VAL A CG2 37 N N . VAL A 30 ? 1.1982 0.6682 1.1142 -0.3051 0.0049 -0.1280 6 VAL A N 38 C CA . VAL A 30 ? 1.2078 0.6946 1.1349 -0.3179 0.0042 -0.1357 6 VAL A CA 39 C C . VAL A 30 ? 1.1799 0.6946 1.1376 -0.3170 -0.0094 -0.1380 6 VAL A C 40 O O . VAL A 30 ? 1.1754 0.6925 1.1333 -0.3154 -0.0142 -0.1380 6 VAL A O 41 C CB . VAL A 30 ? 1.2596 0.7317 1.1672 -0.3342 0.0145 -0.1410 6 VAL A CB 42 C CG1 . VAL A 30 ? 1.2821 0.7365 1.1712 -0.3345 0.0177 -0.1425 6 VAL A CG1 43 C CG2 . VAL A 30 ? 1.2634 0.7568 1.1899 -0.3487 0.0103 -0.1469 6 VAL A CG2 44 N N . SER A 31 ? 1.1586 0.6934 1.1436 -0.3190 -0.0150 -0.1392 7 SER A N 45 C CA . SER A 31 ? 1.1279 0.6905 1.1515 -0.3193 -0.0290 -0.1382 7 SER A CA 46 C C . SER A 31 ? 1.1384 0.7145 1.1730 -0.3382 -0.0306 -0.1409 7 SER A C 47 O O . SER A 31 ? 1.1232 0.7185 1.1910 -0.3453 -0.0358 -0.1386 7 SER A O 48 C CB . SER A 31 ? 1.1053 0.6798 1.1580 -0.3125 -0.0351 -0.1361 7 SER A CB 49 O OG . SER A 31 ? 1.1235 0.6921 1.1687 -0.3218 -0.0246 -0.1395 7 SER A OG 50 N N . LYS A 35 ? 1.5283 1.1418 1.6450 -0.3765 -0.0216 -0.1335 11 LYS A N 51 C CA . LYS A 35 ? 1.5586 1.1484 1.6302 -0.3789 -0.0105 -0.1409 11 LYS A CA 52 C C . LYS A 35 ? 1.5852 1.1508 1.6238 -0.3715 0.0054 -0.1451 11 LYS A C 53 O O . LYS A 35 ? 1.6095 1.1670 1.6394 -0.3821 0.0182 -0.1464 11 LYS A O 54 C CB . LYS A 35 ? 1.5709 1.1659 1.6493 -0.4001 -0.0084 -0.1403 11 LYS A CB 55 C CG . LYS A 35 ? 1.5530 1.1749 1.6654 -0.4122 -0.0246 -0.1357 11 LYS A CG 56 C CD . LYS A 35 ? 1.5700 1.1979 1.6925 -0.4355 -0.0233 -0.1344 11 LYS A CD 57 C CE . LYS A 35 ? 1.5564 1.2197 1.7257 -0.4508 -0.0396 -0.1270 11 LYS A CE 58 N NZ . LYS A 35 ? 1.5794 1.2539 1.7709 -0.4748 -0.0395 -0.1226 11 LYS A NZ 59 N N . GLU A 36 ? 1.5813 1.1368 1.6039 -0.3549 0.0039 -0.1460 12 GLU A N 60 C CA . GLU A 36 ? 1.6022 1.1373 1.5954 -0.3495 0.0162 -0.1485 12 GLU A CA 61 C C . GLU A 36 ? 1.6149 1.1299 1.5757 -0.3415 0.0172 -0.1458 12 GLU A C 62 O O . GLU A 36 ? 1.6015 1.1196 1.5662 -0.3329 0.0074 -0.1433 12 GLU A O 63 C CB . GLU A 36 ? 1.5862 1.1262 1.5927 -0.3395 0.0130 -0.1505 12 GLU A CB 64 C CG . GLU A 36 ? 1.6085 1.1285 1.5835 -0.3373 0.0248 -0.1544 12 GLU A CG 65 C CD . GLU A 36 ? 1.6026 1.1244 1.5877 -0.3281 0.0203 -0.1590 12 GLU A CD 66 O OE1 . GLU A 36 ? 1.5805 1.1183 1.5993 -0.3224 0.0078 -0.1572 12 GLU A OE1 67 O OE2 . GLU A 36 ? 1.6234 1.1292 1.5820 -0.3284 0.0285 -0.1638 12 GLU A OE2 68 N N . LEU A 37 ? 1.6451 1.1392 1.5765 -0.3454 0.0295 -0.1446 13 LEU A N 69 C CA . LEU A 37 ? 1.6566 1.1294 1.5621 -0.3391 0.0311 -0.1383 13 LEU A CA 70 C C . LEU A 37 ? 1.6468 1.1097 1.5383 -0.3316 0.0311 -0.1342 13 LEU A C 71 O O . LEU A 37 ? 1.6600 1.1206 1.5433 -0.3382 0.0383 -0.1374 13 LEU A O 72 C CB . LEU A 37 ? 1.7053 1.1587 1.5912 -0.3513 0.0429 -0.1364 13 LEU A CB 73 C CG . LEU A 37 ? 1.7295 1.1837 1.6202 -0.3610 0.0430 -0.1404 13 LEU A CG 74 C CD1 . LEU A 37 ? 1.7361 1.2096 1.6486 -0.3745 0.0430 -0.1455 13 LEU A CD1 75 C CD2 . LEU A 37 ? 1.7669 1.1931 1.6358 -0.3678 0.0536 -0.1369 13 LEU A CD2 76 N N . LYS A 38 ? 1.6190 1.0752 1.5073 -0.3197 0.0235 -0.1270 14 LYS A N 77 C CA . LYS A 38 ? 1.6010 1.0473 1.4766 -0.3152 0.0211 -0.1211 14 LYS A CA 78 C C . LYS A 38 ? 1.5721 1.0009 1.4386 -0.3087 0.0187 -0.1073 14 LYS A C 79 O O . LYS A 38 ? 1.5586 0.9873 1.4354 -0.3012 0.0157 -0.1042 14 LYS A O 80 C CB . LYS A 38 ? 1.5851 1.0478 1.4802 -0.3064 0.0104 -0.1267 14 LYS A CB 81 C CG . LYS A 38 ? 1.6005 1.0684 1.4953 -0.3144 0.0163 -0.1379 14 LYS A CG 82 C CD . LYS A 38 ? 1.5990 1.0695 1.5003 -0.3075 0.0076 -0.1421 14 LYS A CD 83 C CE . LYS A 38 ? 1.6192 1.0911 1.5200 -0.3154 0.0163 -0.1559 14 LYS A CE 84 N NZ . LYS A 38 ? 1.6023 1.0938 1.5418 -0.3119 0.0131 -0.1617 14 LYS A NZ 85 N N . CYS A 39 ? 1.5596 0.9727 1.4073 -0.3130 0.0203 -0.0981 15 CYS A N 86 C CA . CYS A 39 ? 1.5306 0.9258 1.3753 -0.3086 0.0185 -0.0807 15 CYS A CA 87 C C . CYS A 39 ? 1.4871 0.8775 1.3226 -0.3093 0.0106 -0.0710 15 CYS A C 88 O O . CYS A 39 ? 1.4956 0.8883 1.3144 -0.3183 0.0104 -0.0787 15 CYS A O 89 C CB . CYS A 39 ? 1.5702 0.9449 1.4027 -0.3186 0.0305 -0.0726 15 CYS A CB 90 S SG . CYS A 39 ? 1.1141 0.4878 0.9531 -0.3209 0.0398 -0.0831 15 CYS A SG 91 N N . GLY A 40 ? 1.4365 0.8186 1.2821 -0.3012 0.0048 -0.0538 16 GLY A N 92 C CA . GLY A 40 ? 1.4037 0.7796 1.2392 -0.3047 -0.0039 -0.0408 16 GLY A CA 93 C C . GLY A 40 ? 1.3447 0.7222 1.2039 -0.2908 -0.0120 -0.0259 16 GLY A C 94 O O . GLY A 40 ? 1.3374 0.7160 1.2198 -0.2791 -0.0080 -0.0230 16 GLY A O 95 N N . SER A 41 ? 1.3059 0.6822 1.1565 -0.2938 -0.0231 -0.0164 17 SER A N 96 C CA . SER A 41 ? 1.2500 0.6284 1.1218 -0.2818 -0.0306 0.0002 17 SER A CA 97 C C . SER A 41 ? 1.1929 0.5902 1.0747 -0.2746 -0.0405 -0.0154 17 SER A C 98 O O . SER A 41 ? 1.0261 0.4315 0.8963 -0.2813 -0.0433 -0.0354 17 SER A O 99 C CB . SER A 41 ? 1.2853 0.6455 1.1344 -0.2933 -0.0400 0.0271 17 SER A CB 100 O OG . SER A 41 ? 1.2703 0.6352 1.1437 -0.2802 -0.0462 0.0463 17 SER A OG 101 N N . GLY A 42 ? 1.1381 0.5420 1.0449 -0.2605 -0.0434 -0.0053 18 GLY A N 102 C CA . GLY A 42 ? 1.0763 0.4980 0.9971 -0.2533 -0.0520 -0.0163 18 GLY A CA 103 C C . GLY A 42 ? 1.0194 0.4490 0.9689 -0.2368 -0.0480 -0.0076 18 GLY A C 104 O O . GLY A 42 ? 1.0128 0.4302 0.9683 -0.2308 -0.0426 0.0137 18 GLY A O 105 N N . ILE A 43 ? 0.9817 0.4313 0.9505 -0.2299 -0.0484 -0.0229 19 ILE A N 106 C CA . ILE A 43 ? 0.9569 0.4140 0.9471 -0.2165 -0.0435 -0.0161 19 ILE A CA 107 C C . ILE A 43 ? 0.9348 0.4073 0.9431 -0.2144 -0.0352 -0.0349 19 ILE A C 108 O O . ILE A 43 ? 0.9231 0.4103 0.9371 -0.2196 -0.0380 -0.0535 19 ILE A O 109 C CB . ILE A 43 ? 0.9464 0.4132 0.9401 -0.2108 -0.0566 -0.0094 19 ILE A CB 110 C CG1 . ILE A 43 ? 0.9742 0.4281 0.9501 -0.2152 -0.0735 0.0105 19 ILE A CG1 111 C CG2 . ILE A 43 ? 0.9256 0.3970 0.9334 -0.1975 -0.0524 0.0018 19 ILE A CG2 112 C CD1 . ILE A 43 ? 0.9930 0.4309 0.9678 -0.2092 -0.0704 0.0385 19 ILE A CD1 113 N N . PHE A 44 ? 0.9325 0.4005 0.9515 -0.2075 -0.0264 -0.0290 20 PHE A N 114 C CA . PHE A 44 ? 0.9257 0.4056 0.9564 -0.2083 -0.0242 -0.0441 20 PHE A CA 115 C C . PHE A 44 ? 0.8997 0.3902 0.9471 -0.2002 -0.0202 -0.0413 20 PHE A C 116 O O . PHE A 44 ? 0.8974 0.3744 0.9473 -0.1921 -0.0128 -0.0261 20 PHE A O 117 C CB . PHE A 44 ? 0.9659 0.4262 0.9828 -0.2126 -0.0198 -0.0431 20 PHE A CB 118 C CG . PHE A 44 ? 0.9824 0.4493 0.9938 -0.2183 -0.0213 -0.0585 20 PHE A CG 119 C CD1 . PHE A 44 ? 0.9813 0.4685 0.9956 -0.2251 -0.0273 -0.0738 20 PHE A CD1 120 C CD2 . PHE A 44 ? 1.0078 0.4582 1.0089 -0.2184 -0.0158 -0.0569 20 PHE A CD2 121 C CE1 . PHE A 44 ? 0.9935 0.4873 1.0019 -0.2327 -0.0284 -0.0850 20 PHE A CE1 122 C CE2 . PHE A 44 ? 1.0244 0.4782 1.0102 -0.2277 -0.0158 -0.0717 20 PHE A CE2 123 C CZ . PHE A 44 ? 1.0148 0.4921 1.0056 -0.2353 -0.0226 -0.0845 20 PHE A CZ 124 N N . ILE A 45 ? 0.8829 0.3964 0.9420 -0.2029 -0.0231 -0.0548 21 ILE A N 125 C CA . ILE A 45 ? 0.8690 0.3923 0.9345 -0.1988 -0.0196 -0.0514 21 ILE A CA 126 C C . ILE A 45 ? 0.8868 0.4196 0.9622 -0.2027 -0.0204 -0.0610 21 ILE A C 127 O O . ILE A 45 ? 0.8893 0.4393 0.9723 -0.2106 -0.0267 -0.0748 21 ILE A O 128 C CB . ILE A 45 ? 0.8352 0.3765 0.8996 -0.2010 -0.0262 -0.0548 21 ILE A CB 129 C CG1 . ILE A 45 ? 0.8337 0.3670 0.8869 -0.1977 -0.0367 -0.0454 21 ILE A CG1 130 C CG2 . ILE A 45 ? 0.8160 0.3654 0.8786 -0.1969 -0.0316 -0.0440 21 ILE A CG2 131 C CD1 . ILE A 45 ? 0.8388 0.3555 0.8814 -0.1873 -0.0433 -0.0211 21 ILE A CD1 132 N N . THR A 46 ? 0.9053 0.4244 0.9793 -0.1981 -0.0164 -0.0521 22 THR A N 133 C CA . THR A 46 ? 0.9232 0.4387 0.9929 -0.2066 -0.0224 -0.0610 22 THR A CA 134 C C . THR A 46 ? 0.9144 0.4518 0.9952 -0.2091 -0.0224 -0.0625 22 THR A C 135 O O . THR A 46 ? 0.9037 0.4471 0.9865 -0.2022 -0.0144 -0.0516 22 THR A O 136 C CB . THR A 46 ? 0.9550 0.4354 1.0022 -0.2043 -0.0184 -0.0529 22 THR A CB 137 O OG1 . THR A 46 ? 0.9439 0.4194 1.0092 -0.1913 -0.0113 -0.0355 22 THR A OG1 138 C CG2 . THR A 46 ? 0.9745 0.4345 1.0078 -0.2033 -0.0151 -0.0483 22 THR A CG2 139 N N . ASP A 47 ? 0.9329 0.4761 1.0063 -0.2231 -0.0312 -0.0745 23 ASP A N 140 C CA . ASP A 47 ? 0.9428 0.4976 1.0134 -0.2340 -0.0353 -0.0739 23 ASP A CA 141 C C . ASP A 47 ? 1.0212 0.5372 1.0441 -0.2433 -0.0339 -0.0715 23 ASP A C 142 O O . ASP A 47 ? 1.0677 0.5650 1.0490 -0.2578 -0.0311 -0.0847 23 ASP A O 143 C CB . ASP A 47 ? 0.9298 0.5137 1.0079 -0.2502 -0.0451 -0.0865 23 ASP A CB 144 C CG . ASP A 47 ? 0.9486 0.5412 1.0090 -0.2708 -0.0549 -0.0835 23 ASP A CG 145 O OD1 . ASP A 47 ? 0.8327 0.4187 0.8870 -0.2701 -0.0561 -0.0697 23 ASP A OD1 146 O OD2 . ASP A 47 ? 0.9681 0.5755 1.0193 -0.2897 -0.0632 -0.0922 23 ASP A OD2 147 N N . ASN A 48 ? 1.0443 0.5441 1.0659 -0.2365 -0.0291 -0.0558 24 ASN A N 148 C CA . ASN A 48 ? 1.1235 0.5782 1.0935 -0.2452 -0.0197 -0.0546 24 ASN A CA 149 C C . ASN A 48 ? 1.1863 0.6426 1.1284 -0.2678 -0.0257 -0.0540 24 ASN A C 150 O O . ASN A 48 ? 1.2501 0.6664 1.1413 -0.2790 -0.0120 -0.0547 24 ASN A O 151 C CB . ASN A 48 ? 1.1017 0.5318 1.0884 -0.2221 -0.0092 -0.0330 24 ASN A CB 152 C CG . ASN A 48 ? 1.0464 0.4907 1.0756 -0.2023 -0.0086 -0.0264 24 ASN A CG 153 O OD1 . ASN A 48 ? 1.0665 0.4941 1.0768 -0.2037 -0.0057 -0.0343 24 ASN A OD1 154 N ND2 . ASN A 48 ? 0.9869 0.4589 1.0549 -0.1869 -0.0024 -0.0134 24 ASN A ND2 155 N N . VAL A 49 ? 1.1811 0.6839 1.1544 -0.2763 -0.0439 -0.0523 25 VAL A N 156 C CA . VAL A 49 ? 1.2331 0.7520 1.1897 -0.3015 -0.0584 -0.0451 25 VAL A CA 157 C C . VAL A 49 ? 1.3246 0.8485 1.2333 -0.3346 -0.0606 -0.0662 25 VAL A C 158 O O . VAL A 49 ? 1.3774 0.8843 1.2295 -0.3627 -0.0577 -0.0701 25 VAL A O 159 C CB . VAL A 49 ? 1.1710 0.7447 1.1880 -0.2944 -0.0792 -0.0272 25 VAL A CB 160 C CG1 . VAL A 49 ? 1.1793 0.7873 1.1936 -0.3221 -0.1030 -0.0126 25 VAL A CG1 161 C CG2 . VAL A 49 ? 1.1377 0.7048 1.1837 -0.2649 -0.0768 -0.0049 25 VAL A CG2 162 N N . HIS A 50 ? 1.3551 0.9017 1.2833 -0.3330 -0.0634 -0.0797 26 HIS A N 163 C CA . HIS A 50 ? 1.4478 1.0068 1.3409 -0.3627 -0.0675 -0.0954 26 HIS A CA 164 C C . HIS A 50 ? 1.6140 1.1218 1.4353 -0.3744 -0.0448 -0.1167 26 HIS A C 165 O O . HIS A 50 ? 1.6652 1.1749 1.4417 -0.4042 -0.0447 -0.1307 26 HIS A O 166 C CB . HIS A 50 ? 1.3633 0.9625 1.3077 -0.3563 -0.0769 -0.0986 26 HIS A CB 167 C CG . HIS A 50 ? 1.2620 0.9124 1.2728 -0.3493 -0.0925 -0.0824 26 HIS A CG 168 N ND1 . HIS A 50 ? 1.2090 0.8951 1.2686 -0.3451 -0.0958 -0.0854 26 HIS A ND1 169 C CD2 . HIS A 50 ? 1.2152 0.8855 1.2502 -0.3462 -0.1031 -0.0620 26 HIS A CD2 170 C CE1 . HIS A 50 ? 1.1573 0.8811 1.2627 -0.3402 -0.1039 -0.0703 26 HIS A CE1 171 N NE2 . HIS A 50 ? 1.1591 0.8766 1.2521 -0.3396 -0.1115 -0.0538 26 HIS A NE2 172 N N . THR A 51 ? 1.7161 1.1808 1.5295 -0.3514 -0.0251 -0.1177 27 THR A N 173 C CA . THR A 51 ? 1.8855 1.2995 1.6381 -0.3591 0.0014 -0.1366 27 THR A CA 174 C C . THR A 51 ? 2.0462 1.4256 1.7280 -0.3856 0.0174 -0.1471 27 THR A C 175 O O . THR A 51 ? 2.0657 1.4254 1.7428 -0.3792 0.0240 -0.1352 27 THR A O 176 C CB . THR A 51 ? 1.8829 1.2647 1.6528 -0.3277 0.0179 -0.1294 27 THR A CB 177 O OG1 . THR A 51 ? 1.8753 1.2380 1.6531 -0.3131 0.0238 -0.1124 27 THR A OG1 178 C CG2 . THR A 51 ? 1.8162 1.2334 1.6494 -0.3059 0.0016 -0.1195 27 THR A CG2 179 N N . TRP A 52 ? 2.1822 1.5537 1.8083 -0.4168 0.0245 -0.1690 28 TRP A N 180 C CA . TRP A 52 ? 2.3400 1.6778 1.8868 -0.4482 0.0426 -0.1853 28 TRP A CA 181 C C . TRP A 52 ? 2.4085 1.6763 1.9210 -0.4314 0.0825 -0.1919 28 TRP A C 182 O O . TRP A 52 ? 2.4797 1.7131 1.9379 -0.4471 0.1017 -0.1991 28 TRP A O 183 C CB . TRP A 52 ? 2.4587 1.7986 1.9549 -0.4823 0.0449 -0.2086 28 TRP A CB 184 C CG . TRP A 52 ? 2.4868 1.8911 1.9928 -0.5121 0.0099 -0.2011 28 TRP A CG 185 C CD1 . TRP A 52 ? 2.5552 1.9775 2.0087 -0.5523 0.0005 -0.2050 28 TRP A CD1 186 C CD2 . TRP A 52 ? 2.4414 1.9040 2.0167 -0.5043 -0.0196 -0.1860 28 TRP A CD2 187 N NE1 . TRP A 52 ? 2.5315 2.0249 2.0236 -0.5691 -0.0357 -0.1888 28 TRP A NE1 188 C CE2 . TRP A 52 ? 2.4630 1.9781 2.0309 -0.5388 -0.0460 -0.1781 28 TRP A CE2 189 C CE3 . TRP A 52 ? 2.3871 1.8630 2.0290 -0.4723 -0.0247 -0.1778 28 TRP A CE3 190 C CZ2 . TRP A 52 ? 2.4214 1.9984 2.0525 -0.5391 -0.0743 -0.1616 28 TRP A CZ2 191 C CZ3 . TRP A 52 ? 2.3452 1.8774 2.0424 -0.4742 -0.0504 -0.1659 28 TRP A CZ3 192 C CH2 . TRP A 52 ? 2.3614 1.9419 2.0559 -0.5060 -0.0736 -0.1576 28 TRP A CH2 193 N N . THR A 53 ? 2.3163 1.5647 1.8622 -0.4001 0.0956 -0.1879 29 THR A N 194 C CA . THR A 53 ? 2.3085 1.4974 1.8389 -0.3788 0.1330 -0.1879 29 THR A CA 195 C C . THR A 53 ? 2.2283 1.4197 1.8085 -0.3479 0.1278 -0.1575 29 THR A C 196 O O . THR A 53 ? 2.1490 1.3892 1.7927 -0.3332 0.0947 -0.1361 29 THR A O 197 C CB . THR A 53 ? 2.2950 1.4689 1.8448 -0.3615 0.1458 -0.1914 29 THR A CB 198 O OG1 . THR A 53 ? 2.2028 1.4248 1.8229 -0.3408 0.1144 -0.1718 29 THR A OG1 199 C CG2 . THR A 53 ? 2.3534 1.5171 1.8551 -0.3915 0.1545 -0.2193 29 THR A CG2 200 N N . GLU A 54 ? 2.2566 1.3952 1.8105 -0.3372 0.1628 -0.1547 30 GLU A N 201 C CA . GLU A 54 ? 2.1888 1.3269 1.7939 -0.3044 0.1616 -0.1203 30 GLU A CA 202 C C . GLU A 54 ? 2.1329 1.2603 1.7833 -0.2691 0.1738 -0.1045 30 GLU A C 203 O O . GLU A 54 ? 2.1893 1.2671 1.8158 -0.2590 0.2144 -0.1089 30 GLU A O 204 C CB . GLU A 54 ? 2.2674 1.3577 1.8248 -0.3106 0.1939 -0.1190 30 GLU A CB 205 C CG . GLU A 54 ? 2.2921 1.4001 1.8080 -0.3506 0.1747 -0.1272 30 GLU A CG 206 C CD . GLU A 54 ? 2.2017 1.3774 1.7894 -0.3449 0.1245 -0.0958 30 GLU A CD 207 O OE1 . GLU A 54 ? 2.1851 1.4080 1.7673 -0.3766 0.0920 -0.1045 30 GLU A OE1 208 O OE2 . GLU A 54 ? 2.1439 1.3317 1.7992 -0.3076 0.1170 -0.0604 30 GLU A OE2 209 N N . GLN A 55 ? 2.0183 1.1942 1.7346 -0.2524 0.1387 -0.0859 31 GLN A N 210 C CA . GLN A 55 ? 1.9652 1.1409 1.7228 -0.2273 0.1405 -0.0704 31 GLN A CA 211 C C . GLN A 55 ? 1.9230 1.0954 1.7248 -0.1964 0.1440 -0.0345 31 GLN A C 212 O O . GLN A 55 ? 1.9398 1.0966 1.7595 -0.1791 0.1577 -0.0220 31 GLN A O 213 C CB . GLN A 55 ? 1.8835 1.1108 1.6881 -0.2252 0.1026 -0.0654 31 GLN A CB 214 C CG . GLN A 55 ? 1.8820 1.1281 1.6593 -0.2515 0.0923 -0.0927 31 GLN A CG 215 C CD . GLN A 55 ? 1.9415 1.1542 1.6752 -0.2650 0.1171 -0.1164 31 GLN A CD 216 O OE1 . GLN A 55 ? 1.9686 1.1860 1.6672 -0.2901 0.1162 -0.1395 31 GLN A OE1 217 N NE2 . GLN A 55 ? 1.9639 1.1458 1.7048 -0.2493 0.1379 -0.1082 31 GLN A NE2 218 N N . TYR A 56 ? 1.8624 1.0537 1.6856 -0.1903 0.1294 -0.0147 32 TYR A N 219 C CA . TYR A 56 ? 1.7980 1.0013 1.6730 -0.1605 0.1225 0.0254 32 TYR A CA 220 C C . TYR A 56 ? 1.8077 0.9791 1.6596 -0.1526 0.1554 0.0357 32 TYR A C 221 O O . TYR A 56 ? 1.8381 0.9937 1.6466 -0.1729 0.1657 0.0209 32 TYR A O 222 C CB . TYR A 56 ? 1.7116 0.9745 1.6507 -0.1535 0.0718 0.0502 32 TYR A CB 223 C CG . TYR A 56 ? 1.6682 0.9638 1.6382 -0.1569 0.0447 0.0437 32 TYR A CG 224 C CD1 . TYR A 56 ? 1.6445 0.9521 1.6500 -0.1425 0.0254 0.0667 32 TYR A CD1 225 C CD2 . TYR A 56 ? 1.6546 0.9683 1.6122 -0.1766 0.0382 0.0154 32 TYR A CD2 226 C CE1 . TYR A 56 ? 1.6067 0.9450 1.6396 -0.1456 0.0084 0.0605 32 TYR A CE1 227 C CE2 . TYR A 56 ? 1.6166 0.9598 1.6032 -0.1768 0.0219 0.0095 32 TYR A CE2 228 C CZ . TYR A 56 ? 1.5909 0.9439 1.6183 -0.1611 0.0108 0.0313 32 TYR A CZ 229 O OH . TYR A 56 ? 1.5577 0.9393 1.6075 -0.1620 0.0028 0.0241 32 TYR A OH 230 N N . LYS A 57 ? 1.7829 0.9468 1.6626 -0.1247 0.1717 0.0627 33 LYS A N 231 C CA . LYS A 57 ? 1.7904 0.9337 1.6640 -0.1085 0.2046 0.0805 33 LYS A CA 232 C C . LYS A 57 ? 1.7236 0.9124 1.6655 -0.0779 0.1773 0.1265 33 LYS A C 233 O O . LYS A 57 ? 1.6869 0.8989 1.6586 -0.0716 0.1484 0.1378 33 LYS A O 234 C CB . LYS A 57 ? 1.8787 0.9556 1.7012 -0.1069 0.2697 0.0585 33 LYS A CB 235 C CG . LYS A 57 ? 1.9454 0.9715 1.6813 -0.1439 0.2960 0.0072 33 LYS A CG 236 C CD . LYS A 57 ? 2.0433 0.9989 1.7257 -0.1430 0.3629 -0.0161 33 LYS A CD 237 C CE . LYS A 57 ? 2.1103 1.0218 1.7019 -0.1859 0.3813 -0.0703 33 LYS A CE 238 N NZ . LYS A 57 ? 2.2143 1.0547 1.7503 -0.1881 0.4477 -0.0970 33 LYS A NZ 239 N N . PHE A 58 ? 1.5102 1.0792 1.0953 -0.0273 0.1285 -0.2044 34 PHE A N 240 C CA . PHE A 58 ? 1.4914 1.0654 1.0703 0.0095 0.0992 -0.1847 34 PHE A CA 241 C C . PHE A 58 ? 1.5355 1.0735 1.0967 0.0442 0.0795 -0.1775 34 PHE A C 242 O O . PHE A 58 ? 1.5224 1.0796 1.1081 0.0488 0.0827 -0.1908 34 PHE A O 243 C CB . PHE A 58 ? 1.3759 1.0504 1.0285 0.0187 0.0831 -0.1855 34 PHE A CB 244 C CG . PHE A 58 ? 1.3384 1.0377 1.0047 0.0006 0.0930 -0.1878 34 PHE A CG 245 C CD1 . PHE A 58 ? 1.3955 1.0358 1.0101 -0.0236 0.1202 -0.1906 34 PHE A CD1 246 C CD2 . PHE A 58 ? 1.2556 1.0317 0.9833 0.0078 0.0780 -0.1876 34 PHE A CD2 247 C CE1 . PHE A 58 ? 1.3768 1.0409 1.0061 -0.0380 0.1353 -0.1975 34 PHE A CE1 248 C CE2 . PHE A 58 ? 1.2375 1.0317 0.9807 -0.0043 0.0877 -0.1931 34 PHE A CE2 249 C CZ . PHE A 58 ? 1.2969 1.0383 0.9935 -0.0260 0.1178 -0.2001 34 PHE A CZ 250 N N . GLN A 59 ? 1.5956 1.0807 1.1142 0.0698 0.0577 -0.1584 35 GLN A N 251 C CA . GLN A 59 ? 1.6365 1.0944 1.1532 0.1101 0.0347 -0.1519 35 GLN A CA 252 C C . GLN A 59 ? 1.6282 1.1187 1.1716 0.1444 -0.0031 -0.1357 35 GLN A C 253 O O . GLN A 59 ? 1.6460 1.1203 1.1589 0.1387 -0.0170 -0.1232 35 GLN A O 254 C CB . GLN A 59 ? 1.7490 1.0831 1.1816 0.1118 0.0391 -0.1454 35 GLN A CB 255 C CG . GLN A 59 ? 1.7730 1.0763 1.2008 0.0985 0.0641 -0.1652 35 GLN A CG 256 C CD . GLN A 59 ? 1.7674 1.0695 1.1843 0.0447 0.0997 -0.1792 35 GLN A CD 257 O OE1 . GLN A 59 ? 1.7943 1.0690 1.1738 0.0175 0.1134 -0.1706 35 GLN A OE1 258 N NE2 . GLN A 59 ? 1.7418 1.0751 1.1927 0.0285 0.1152 -0.2032 35 GLN A NE2 259 N N . PRO A 60 ? 1.6117 1.1494 1.2138 0.1784 -0.0184 -0.1385 36 PRO A N 260 C CA . PRO A 60 ? 1.5983 1.1760 1.2442 0.2114 -0.0555 -0.1261 36 PRO A CA 261 C C . PRO A 60 ? 1.7056 1.1972 1.3041 0.2446 -0.0873 -0.1121 36 PRO A C 262 O O . PRO A 60 ? 1.7871 1.1927 1.3288 0.2479 -0.0764 -0.1137 36 PRO A O 263 C CB . PRO A 60 ? 1.5387 1.2004 1.2687 0.2300 -0.0466 -0.1392 36 PRO A CB 264 C CG . PRO A 60 ? 1.5799 1.1949 1.2795 0.2269 -0.0179 -0.1560 36 PRO A CG 265 C CD . PRO A 60 ? 1.5988 1.1623 1.2344 0.1843 0.0023 -0.1577 36 PRO A CD 266 N N . GLU A 61 ? 1.7119 1.2223 1.3325 0.2681 -0.1298 -0.0985 37 GLU A N 267 C CA . GLU A 61 ? 1.8121 1.2491 1.3984 0.3066 -0.1723 -0.0840 37 GLU A CA 268 C C . GLU A 61 ? 1.7873 1.2919 1.4770 0.3523 -0.1896 -0.0921 37 GLU A C 269 O O . GLU A 61 ? 1.8772 1.3259 1.5595 0.3920 -0.2112 -0.0890 37 GLU A O 270 C CB . GLU A 61 ? 1.8452 1.2573 1.3884 0.3046 -0.2158 -0.0659 37 GLU A CB 271 C CG . GLU A 61 ? 1.8976 1.2263 1.3246 0.2641 -0.1965 -0.0585 37 GLU A CG 272 C CD . GLU A 61 ? 1.9332 1.2394 1.3121 0.2613 -0.2375 -0.0452 37 GLU A CD 273 O OE1 . GLU A 61 ? 1.8790 1.2639 1.3370 0.2785 -0.2740 -0.0463 37 GLU A OE1 274 O OE2 . GLU A 61 ? 2.0240 1.2318 1.2836 0.2396 -0.2320 -0.0350 37 GLU A OE2 275 N N . SER A 62 ? 1.6693 1.2928 1.4567 0.3464 -0.1775 -0.1028 38 SER A N 276 C CA . SER A 62 ? 1.6206 1.3246 1.5172 0.3837 -0.1830 -0.1134 38 SER A CA 277 C C . SER A 62 ? 1.4991 1.3012 1.4619 0.3625 -0.1372 -0.1301 38 SER A C 278 O O . SER A 62 ? 1.4329 1.3176 1.4520 0.3447 -0.1397 -0.1267 38 SER A O 279 C CB . SER A 62 ? 1.6289 1.3811 1.5889 0.4061 -0.2371 -0.1020 38 SER A CB 280 O OG . SER A 62 ? 1.6076 1.4453 1.6874 0.4423 -0.2386 -0.1146 38 SER A OG 281 N N . PRO A 63 ? 1.4718 1.2565 1.4194 0.3626 -0.0966 -0.1478 39 PRO A N 282 C CA . PRO A 63 ? 1.3883 1.2540 1.3833 0.3460 -0.0540 -0.1644 39 PRO A CA 283 C C . PRO A 63 ? 1.3416 1.3066 1.4485 0.3728 -0.0549 -0.1699 39 PRO A C 284 O O . PRO A 63 ? 1.2889 1.3343 1.4408 0.3532 -0.0265 -0.1753 39 PRO A O 285 C CB . PRO A 63 ? 1.4398 1.2442 1.3874 0.3524 -0.0220 -0.1849 39 PRO A CB 286 C CG . PRO A 63 ? 1.5187 1.2056 1.3764 0.3499 -0.0406 -0.1746 39 PRO A CG 287 C CD . PRO A 63 ? 1.5516 1.2258 1.4218 0.3743 -0.0898 -0.1528 39 PRO A CD 288 N N . SER A 64 ? 1.3719 1.3296 1.5239 0.4168 -0.0881 -0.1679 40 SER A N 289 C CA . SER A 64 ? 1.3299 1.3892 1.6062 0.4438 -0.0933 -0.1741 40 SER A CA 290 C C . SER A 64 ? 1.2502 1.3824 1.5761 0.4165 -0.1176 -0.1576 40 SER A C 291 O O . SER A 64 ? 1.1982 1.4268 1.6022 0.4019 -0.0920 -0.1626 40 SER A O 292 C CB . SER A 64 ? 1.4057 1.4343 1.7216 0.5013 -0.1328 -0.1759 40 SER A CB 293 O OG . SER A 64 ? 1.4596 1.4034 1.7043 0.5036 -0.1884 -0.1531 40 SER A OG 294 N N . LYS A 65 ? 1.2485 1.3270 1.5216 0.4077 -0.1650 -0.1386 41 LYS A N 295 C CA . LYS A 65 ? 1.1781 1.3071 1.4824 0.3800 -0.1919 -0.1253 41 LYS A CA 296 C C . LYS A 65 ? 1.0985 1.2616 1.3852 0.3328 -0.1509 -0.1248 41 LYS A C 297 O O . LYS A 65 ? 1.0500 1.2890 1.4017 0.3117 -0.1498 -0.1206 41 LYS A O 298 C CB . LYS A 65 ? 1.2175 1.2612 1.4371 0.3759 -0.2433 -0.1086 41 LYS A CB 299 C CG . LYS A 65 ? 1.2727 1.3035 1.5268 0.4171 -0.3061 -0.1024 41 LYS A CG 300 C CD . LYS A 65 ? 1.3206 1.2699 1.4788 0.4046 -0.3569 -0.0853 41 LYS A CD 301 C CE . LYS A 65 ? 1.3900 1.3257 1.5783 0.4458 -0.4299 -0.0777 41 LYS A CE 302 N NZ . LYS A 65 ? 1.4583 1.3441 1.6448 0.4957 -0.4358 -0.0796 41 LYS A NZ 303 N N . LEU A 66 ? 1.0958 1.1988 1.2951 0.3159 -0.1202 -0.1286 42 LEU A N 304 C CA . LEU A 66 ? 1.0333 1.1601 1.2102 0.2759 -0.0863 -0.1284 42 LEU A CA 305 C C . LEU A 66 ? 0.9809 1.1934 1.2291 0.2730 -0.0494 -0.1369 42 LEU A C 306 O O . LEU A 66 ? 0.9340 1.2021 1.2153 0.2457 -0.0418 -0.1284 42 LEU A O 307 C CB . LEU A 66 ? 1.0673 1.1199 1.1521 0.2638 -0.0628 -0.1356 42 LEU A CB 308 C CG . LEU A 66 ? 1.0308 1.1006 1.0887 0.2255 -0.0364 -0.1362 42 LEU A CG 309 C CD1 . LEU A 66 ? 0.9971 1.0853 1.0629 0.2021 -0.0582 -0.1215 42 LEU A CD1 310 C CD2 . LEU A 66 ? 1.0667 1.0645 1.0449 0.2134 -0.0209 -0.1454 42 LEU A CD2 311 N N . ALA A 67 ? 0.9981 1.2134 1.2636 0.3009 -0.0243 -0.1539 43 ALA A N 312 C CA . ALA A 67 ? 0.9707 1.2613 1.2954 0.3011 0.0190 -0.1660 43 ALA A CA 313 C C . ALA A 67 ? 0.9358 1.3187 1.3680 0.2985 0.0095 -0.1578 43 ALA A C 314 O O . ALA A 67 ? 0.9098 1.3521 1.3703 0.2705 0.0397 -0.1538 43 ALA A O 315 C CB . ALA A 67 ? 1.0175 1.2908 1.3514 0.3403 0.0426 -0.1898 43 ALA A CB 316 N N . SER A 68 ? 0.9461 1.3367 1.4351 0.3255 -0.0351 -0.1544 44 SER A N 317 C CA . SER A 68 ? 0.9189 1.3998 1.5226 0.3227 -0.0525 -0.1491 44 SER A CA 318 C C . SER A 68 ? 0.8851 1.3790 1.4745 0.2753 -0.0649 -0.1299 44 SER A C 319 O O . SER A 68 ? 0.8573 1.4293 1.5258 0.2528 -0.0527 -0.1254 44 SER A O 320 C CB . SER A 68 ? 0.9498 1.4220 1.6024 0.3617 -0.1121 -0.1488 44 SER A CB 321 O OG . SER A 68 ? 0.9985 1.4469 1.6623 0.4103 -0.1050 -0.1656 44 SER A OG 322 N N . ALA A 69 ? 0.8943 1.3082 1.3838 0.2596 -0.0864 -0.1197 45 ALA A N 323 C CA . ALA A 69 ? 0.8705 1.2818 1.3372 0.2196 -0.0989 -0.1044 45 ALA A CA 324 C C . ALA A 69 ? 0.8500 1.2874 1.3015 0.1881 -0.0511 -0.1005 45 ALA A C 325 O O . ALA A 69 ? 0.8286 1.2929 1.3003 0.1562 -0.0522 -0.0875 45 ALA A O 326 C CB . ALA A 69 ? 0.8905 1.2109 1.2573 0.2151 -0.1270 -0.0992 45 ALA A CB 327 N N . ILE A 70 ? 0.8697 1.2909 1.2785 0.1967 -0.0122 -0.1115 46 ILE A N 328 C CA . ILE A 70 ? 0.8702 1.3101 1.2520 0.1693 0.0301 -0.1080 46 ILE A CA 329 C C . ILE A 70 ? 0.8897 1.4137 1.3556 0.1632 0.0645 -0.1090 46 ILE A C 330 O O . ILE A 70 ? 0.8899 1.4393 1.3532 0.1298 0.0867 -0.0954 46 ILE A O 331 C CB . ILE A 70 ? 0.8891 1.2812 1.1914 0.1776 0.0574 -0.1226 46 ILE A CB 332 C CG1 . ILE A 70 ? 0.8850 1.1990 1.1144 0.1796 0.0291 -0.1230 46 ILE A CG1 333 C CG2 . ILE A 70 ? 0.8955 1.2985 1.1555 0.1478 0.0908 -0.1170 46 ILE A CG2 334 C CD1 . ILE A 70 ? 0.9110 1.1786 1.0661 0.1790 0.0521 -0.1377 46 ILE A CD1 335 N N . GLN A 71 ? 0.9132 1.4786 1.4547 0.1959 0.0698 -0.1250 47 GLN A N 336 C CA . GLN A 71 ? 0.9285 1.5862 1.5719 0.1921 0.1049 -0.1299 47 GLN A CA 337 C C . GLN A 71 ? 0.9171 1.6198 1.6264 0.1596 0.0804 -0.1104 47 GLN A C 338 O O . GLN A 71 ? 0.9161 1.6714 1.6627 0.1270 0.1160 -0.1017 47 GLN A O 339 C CB . GLN A 71 ? 0.9414 1.6376 1.6734 0.2401 0.1020 -0.1523 47 GLN A CB 340 C CG . GLN A 71 ? 0.9790 1.6266 1.6554 0.2760 0.1270 -0.1751 47 GLN A CG 341 C CD . GLN A 71 ? 1.0014 1.6699 1.7628 0.3303 0.1096 -0.1947 47 GLN A CD 342 O OE1 . GLN A 71 ? 1.0425 1.6692 1.7718 0.3650 0.1269 -0.2153 47 GLN A OE1 343 N NE2 . GLN A 71 ? 0.9816 1.7118 1.8533 0.3389 0.0709 -0.1889 47 GLN A NE2 344 N N . LYS A 72 ? 0.9251 1.5992 1.6406 0.1666 0.0199 -0.1042 48 LYS A N 345 C CA . LYS A 72 ? 0.9296 1.6321 1.6989 0.1364 -0.0130 -0.0893 48 LYS A CA 346 C C . LYS A 72 ? 0.9403 1.6078 1.6396 0.0920 0.0001 -0.0691 48 LYS A C 347 O O . LYS A 72 ? 0.9382 1.6464 1.6862 0.0562 0.0106 -0.0562 48 LYS A O 348 C CB . LYS A 72 ? 0.9409 1.5993 1.7002 0.1553 -0.0820 -0.0898 48 LYS A CB 349 C CG . LYS A 72 ? 0.9421 1.6277 1.7616 0.1281 -0.1245 -0.0807 48 LYS A CG 350 C CD . LYS A 72 ? 0.9705 1.6034 1.7620 0.1498 -0.1932 -0.0838 48 LYS A CD 351 C CE . LYS A 72 ? 0.9800 1.6463 1.8422 0.1257 -0.2412 -0.0807 48 LYS A CE 352 N NZ . LYS A 72 ? 1.0196 1.6249 1.8356 0.1453 -0.3106 -0.0841 48 LYS A NZ 353 N N . ALA A 73 ? 0.9589 1.5498 1.5479 0.0947 -0.0012 -0.0665 49 ALA A N 354 C CA . ALA A 73 ? 0.9780 1.5288 1.4984 0.0611 0.0044 -0.0487 49 ALA A CA 355 C C . ALA A 73 ? 1.0223 1.6087 1.5444 0.0341 0.0558 -0.0381 49 ALA A C 356 O O . ALA A 73 ? 1.0347 1.6211 1.5577 -0.0013 0.0575 -0.0178 49 ALA A O 357 C CB . ALA A 73 ? 0.9754 1.4519 1.3944 0.0735 -0.0030 -0.0532 49 ALA A CB 358 N N . HIS A 74 ? 1.0635 1.6713 1.5771 0.0504 0.0985 -0.0520 50 HIS A N 359 C CA . HIS A 74 ? 1.1182 1.7574 1.6224 0.0259 0.1540 -0.0449 50 HIS A CA 360 C C . HIS A 74 ? 1.1229 1.8406 1.7381 0.0032 0.1713 -0.0383 50 HIS A C 361 O O . HIS A 74 ? 1.1548 1.8852 1.7622 -0.0360 0.2027 -0.0189 50 HIS A O 362 C CB . HIS A 74 ? 1.1690 1.8139 1.6444 0.0523 0.1966 -0.0687 50 HIS A CB 363 C CG . HIS A 74 ? 1.2431 1.9018 1.6745 0.0268 0.2559 -0.0635 50 HIS A CG 364 N ND1 . HIS A 74 ? 1.2823 1.9153 1.6553 -0.0146 0.2611 -0.0344 50 HIS A ND1 365 C CD2 . HIS A 74 ? 1.2995 1.9875 1.7275 0.0370 0.3133 -0.0838 50 HIS A CD2 366 C CE1 . HIS A 74 ? 1.3522 1.9954 1.6795 -0.0311 0.3181 -0.0344 50 HIS A CE1 367 N NE2 . HIS A 74 ? 1.3630 2.0416 1.7226 -0.0009 0.3534 -0.0662 50 HIS A NE2 368 N N . GLU A 75 ? 1.0955 1.8636 1.8138 0.0267 0.1484 -0.0537 51 GLU A N 369 C CA . GLU A 75 ? 1.0950 1.9471 1.9401 0.0055 0.1547 -0.0512 51 GLU A CA 370 C C . GLU A 75 ? 1.0769 1.9029 1.9224 -0.0338 0.1151 -0.0276 51 GLU A C 371 O O . GLU A 75 ? 1.0970 1.9704 2.0097 -0.0735 0.1332 -0.0154 51 GLU A O 372 C CB . GLU A 75 ? 1.0817 1.9910 2.0381 0.0466 0.1273 -0.0752 51 GLU A CB 373 C CG . GLU A 75 ? 1.0866 2.0973 2.1971 0.0276 0.1275 -0.0778 51 GLU A CG 374 C CD . GLU A 75 ? 1.0761 2.0737 2.2205 0.0103 0.0566 -0.0675 51 GLU A CD 375 O OE1 . GLU A 75 ? 1.0665 2.0268 2.1960 0.0445 -0.0036 -0.0759 51 GLU A OE1 376 O OE2 . GLU A 75 ? 1.0902 2.1074 2.2683 -0.0393 0.0616 -0.0511 51 GLU A OE2 377 N N . GLU A 76 ? 1.0454 1.7932 1.8153 -0.0241 0.0644 -0.0229 52 GLU A N 378 C CA . GLU A 76 ? 1.0269 1.7338 1.7811 -0.0566 0.0271 -0.0044 52 GLU A CA 379 C C . GLU A 76 ? 1.0253 1.6744 1.6837 -0.0856 0.0502 0.0194 52 GLU A C 380 O O . GLU A 76 ? 1.0284 1.6260 1.6554 -0.1072 0.0207 0.0347 52 GLU A O 381 C CB . GLU A 76 ? 1.0187 1.6688 1.7388 -0.0322 -0.0351 -0.0136 52 GLU A CB 382 C CG . GLU A 76 ? 1.0156 1.7106 1.8260 -0.0109 -0.0753 -0.0306 52 GLU A CG 383 C CD . GLU A 76 ? 1.0200 1.6458 1.7706 0.0139 -0.1318 -0.0390 52 GLU A CD 384 O OE1 . GLU A 76 ? 1.0203 1.5728 1.6679 0.0203 -0.1306 -0.0362 52 GLU A OE1 385 O OE2 . GLU A 76 ? 1.0282 1.6738 1.8349 0.0261 -0.1776 -0.0491 52 GLU A OE2 386 N N . GLY A 77 ? 1.0232 1.6766 1.6322 -0.0840 0.1002 0.0212 53 GLY A N 387 C CA . GLY A 77 ? 1.0412 1.6416 1.5558 -0.1105 0.1202 0.0455 53 GLY A CA 388 C C . GLY A 77 ? 1.0084 1.5304 1.4229 -0.0913 0.0887 0.0461 53 GLY A C 389 O O . GLY A 77 ? 1.0174 1.4860 1.3973 -0.1055 0.0579 0.0627 53 GLY A O 390 N N . ILE A 78 ? 0.9730 1.4883 1.3465 -0.0591 0.0975 0.0262 54 ILE A N 391 C CA . ILE A 78 ? 0.9463 1.3978 1.2383 -0.0424 0.0706 0.0226 54 ILE A CA 392 C C . ILE A 78 ? 0.9797 1.4176 1.1962 -0.0336 0.1006 0.0149 54 ILE A C 393 O O . ILE A 78 ? 0.9833 1.4483 1.2114 -0.0130 0.1262 -0.0070 54 ILE A O 394 C CB . ILE A 78 ? 0.8810 1.3193 1.1940 -0.0121 0.0342 0.0018 54 ILE A CB 395 C CG1 . ILE A 78 ? 0.8548 1.2789 1.2055 -0.0237 -0.0056 0.0097 54 ILE A CG1 396 C CG2 . ILE A 78 ? 0.8742 1.2611 1.1114 0.0052 0.0228 -0.0083 54 ILE A CG2 397 C CD1 . ILE A 78 ? 0.8240 1.2249 1.1779 0.0020 -0.0409 -0.0086 54 ILE A CD1 398 N N . CYS A 79 ? 1.0131 1.4050 1.1516 -0.0481 0.0936 0.0318 55 CYS A N 399 C CA . CYS A 79 ? 1.0522 1.4233 1.1072 -0.0441 0.1130 0.0251 55 CYS A CA 400 C C . CYS A 79 ? 1.0173 1.3748 1.0586 -0.0134 0.1002 -0.0048 55 CYS A C 401 O O . CYS A 79 ? 1.0287 1.3962 1.0498 -0.0005 0.1289 -0.0257 55 CYS A O 402 C CB . CYS A 79 ? 1.0965 1.4162 1.0761 -0.0623 0.0909 0.0504 55 CYS A CB 403 S SG . CYS A 79 ? 1.8557 2.1372 1.8587 -0.0558 0.0321 0.0587 55 CYS A SG 404 N N . GLY A 80 ? 0.9839 1.3143 1.0343 -0.0033 0.0602 -0.0078 56 GLY A N 405 C CA . GLY A 80 ? 0.9632 1.2740 0.9992 0.0197 0.0491 -0.0333 56 GLY A CA 406 C C . GLY A 80 ? 0.9199 1.2087 0.9812 0.0268 0.0135 -0.0349 56 GLY A C 407 O O . GLY A 80 ? 0.9034 1.1961 1.0023 0.0185 -0.0025 -0.0209 56 GLY A O 408 N N . ILE A 81 ? 0.9137 1.1761 0.9515 0.0395 0.0039 -0.0538 57 ILE A N 409 C CA . ILE A 81 ? 0.8910 1.1293 0.9438 0.0453 -0.0212 -0.0589 57 ILE A CA 410 C C . ILE A 81 ? 0.9064 1.1205 0.9284 0.0426 -0.0330 -0.0677 57 ILE A C 411 O O . ILE A 81 ? 0.9299 1.1416 0.9175 0.0408 -0.0243 -0.0774 57 ILE A O 412 C CB . ILE A 81 ? 0.8752 1.1038 0.9403 0.0635 -0.0190 -0.0751 57 ILE A CB 413 C CG1 . ILE A 81 ? 0.8911 1.1047 0.9204 0.0733 -0.0005 -0.0943 57 ILE A CG1 414 C CG2 . ILE A 81 ? 0.8724 1.1336 0.9860 0.0695 -0.0154 -0.0685 57 ILE A CG2 415 C CD1 . ILE A 81 ? 0.8975 1.1005 0.9377 0.0946 0.0049 -0.1057 57 ILE A CD1 416 N N . ARG A 82 ? 0.9021 1.1002 0.9403 0.0419 -0.0529 -0.0671 58 ARG A N 417 C CA . ARG A 82 ? 0.9164 1.1020 0.9455 0.0410 -0.0625 -0.0792 58 ARG A CA 418 C C . ARG A 82 ? 0.9073 1.0709 0.9409 0.0469 -0.0582 -0.0986 58 ARG A C 419 O O . ARG A 82 ? 0.8950 1.0444 0.9393 0.0511 -0.0622 -0.0971 58 ARG A O 420 C CB . ARG A 82 ? 0.9354 1.1202 0.9805 0.0367 -0.0857 -0.0649 58 ARG A CB 421 C CG . ARG A 82 ? 0.9810 1.1741 1.0046 0.0274 -0.0908 -0.0414 58 ARG A CG 422 C CD . ARG A 82 ? 1.0149 1.1978 1.0401 0.0271 -0.1201 -0.0304 58 ARG A CD 423 N NE . ARG A 82 ? 1.0315 1.2222 1.0465 0.0300 -0.1301 -0.0474 58 ARG A NE 424 C CZ . ARG A 82 ? 1.0758 1.2699 1.0450 0.0229 -0.1335 -0.0443 58 ARG A CZ 425 N NH1 . ARG A 82 ? 1.0871 1.2898 1.0542 0.0233 -0.1482 -0.0631 58 ARG A NH1 426 N NH2 . ARG A 82 ? 1.1135 1.3027 1.0383 0.0132 -0.1209 -0.0244 58 ARG A NH2 427 N N . SER A 83 ? 0.9219 1.0790 0.9418 0.0440 -0.0500 -0.1171 59 SER A N 428 C CA . SER A 83 ? 0.9332 1.0632 0.9463 0.0441 -0.0380 -0.1349 59 SER A CA 429 C C . SER A 83 ? 0.9320 1.0587 0.9716 0.0426 -0.0439 -0.1409 59 SER A C 430 O O . SER A 83 ? 0.9243 1.0726 0.9938 0.0425 -0.0593 -0.1373 59 SER A O 431 C CB . SER A 83 ? 0.9508 1.0744 0.9449 0.0356 -0.0243 -0.1534 59 SER A CB 432 O OG . SER A 83 ? 0.9645 1.0900 0.9327 0.0385 -0.0184 -0.1514 59 SER A OG 433 N N . VAL A 84 ? 0.9558 1.0503 0.9799 0.0431 -0.0317 -0.1506 60 VAL A N 434 C CA . VAL A 84 ? 0.9705 1.0567 1.0132 0.0420 -0.0283 -0.1622 60 VAL A CA 435 C C . VAL A 84 ? 0.9733 1.0680 1.0308 0.0308 -0.0078 -0.1844 60 VAL A C 436 O O . VAL A 84 ? 0.9676 1.0865 1.0715 0.0311 -0.0087 -0.1960 60 VAL A O 437 C CB . VAL A 84 ? 1.0138 1.0545 1.0186 0.0444 -0.0221 -0.1642 60 VAL A CB 438 C CG1 . VAL A 84 ? 1.0307 1.0615 1.0520 0.0457 -0.0195 -0.1764 60 VAL A CG1 439 C CG2 . VAL A 84 ? 1.0167 1.0535 1.0108 0.0526 -0.0429 -0.1449 60 VAL A CG2 440 N N . THR A 85 ? 0.9775 1.0522 1.0012 0.0209 0.0104 -0.1913 61 THR A N 441 C CA . THR A 85 ? 0.9772 1.0572 1.0151 0.0032 0.0332 -0.2132 61 THR A CA 442 C C . THR A 85 ? 0.9687 1.0605 1.0013 -0.0062 0.0299 -0.2166 61 THR A C 443 O O . THR A 85 ? 0.9598 1.0490 0.9678 0.0031 0.0161 -0.2029 61 THR A O 444 C CB . THR A 85 ? 1.0200 1.0454 1.0098 -0.0083 0.0657 -0.2224 61 THR A CB 445 O OG1 . THR A 85 ? 1.0427 1.0705 1.0437 -0.0320 0.0919 -0.2419 61 THR A OG1 446 C CG2 . THR A 85 ? 1.0435 1.0163 0.9653 0.0002 0.0609 -0.2061 61 THR A CG2 447 N N . ARG A 86 ? 0.9756 1.0810 1.0335 -0.0263 0.0448 -0.2378 62 ARG A N 448 C CA . ARG A 86 ? 0.9826 1.0942 1.0339 -0.0398 0.0404 -0.2468 62 ARG A CA 449 C C . ARG A 86 ? 0.9969 1.0469 0.9785 -0.0418 0.0566 -0.2431 62 ARG A C 450 O O . ARG A 86 ? 1.0070 1.0512 0.9629 -0.0365 0.0459 -0.2403 62 ARG A O 451 C CB . ARG A 86 ? 1.0105 1.1523 1.1149 -0.0654 0.0523 -0.2732 62 ARG A CB 452 C CG . ARG A 86 ? 1.0510 1.1969 1.1498 -0.0846 0.0439 -0.2875 62 ARG A CG 453 C CD . ARG A 86 ? 1.1161 1.2130 1.1860 -0.1131 0.0801 -0.3032 62 ARG A CD 454 N NE . ARG A 86 ? 1.1351 1.2712 1.2749 -0.1432 0.0954 -0.3290 62 ARG A NE 455 C CZ . ARG A 86 ? 1.1934 1.2943 1.3221 -0.1772 0.1305 -0.3452 62 ARG A CZ 456 N NH1 . ARG A 86 ? 1.2030 1.3526 1.4110 -0.2068 0.1462 -0.3704 62 ARG A NH1 457 N NH2 . ARG A 86 ? 1.2464 1.2626 1.2887 -0.1819 0.1500 -0.3360 62 ARG A NH2 458 N N . LEU A 87 ? 1.0090 1.0077 0.9555 -0.0477 0.0825 -0.2433 63 LEU A N 459 C CA . LEU A 87 ? 1.0427 0.9713 0.9211 -0.0473 0.0950 -0.2384 63 LEU A CA 460 C C . LEU A 87 ? 1.0123 0.9316 0.8651 -0.0167 0.0740 -0.2190 63 LEU A C 461 O O . LEU A 87 ? 1.0483 0.9333 0.8668 -0.0091 0.0747 -0.2186 63 LEU A O 462 C CB . LEU A 87 ? 1.1007 0.9675 0.9342 -0.0594 0.1233 -0.2378 63 LEU A CB 463 C CG . LEU A 87 ? 1.1274 1.0017 0.9873 -0.0930 0.1564 -0.2580 63 LEU A CG 464 C CD1 . LEU A 87 ? 1.2113 0.9988 0.9944 -0.1091 0.1896 -0.2539 63 LEU A CD1 465 C CD2 . LEU A 87 ? 1.1290 1.0368 1.0332 -0.1177 0.1585 -0.2787 63 LEU A CD2 466 N N . GLU A 88 ? 0.9477 0.8983 0.8233 0.0002 0.0568 -0.2050 64 GLU A N 467 C CA . GLU A 88 ? 0.9125 0.8702 0.7828 0.0251 0.0381 -0.1878 64 GLU A CA 468 C C . GLU A 88 ? 0.8800 0.8720 0.7633 0.0278 0.0318 -0.1906 64 GLU A C 469 O O . GLU A 88 ? 0.8923 0.8705 0.7562 0.0425 0.0329 -0.1879 64 GLU A O 470 C CB . GLU A 88 ? 0.8758 0.8635 0.7753 0.0347 0.0209 -0.1747 64 GLU A CB 471 C CG . GLU A 88 ? 0.8581 0.8653 0.7679 0.0542 0.0029 -0.1577 64 GLU A CG 472 C CD . GLU A 88 ? 0.8331 0.8596 0.7691 0.0583 -0.0146 -0.1459 64 GLU A CD 473 O OE1 . GLU A 88 ? 0.8352 0.8524 0.7739 0.0502 -0.0120 -0.1525 64 GLU A OE1 474 O OE2 . GLU A 88 ? 0.8159 0.8664 0.7723 0.0684 -0.0286 -0.1322 64 GLU A OE2 475 N N . ASN A 89 ? 0.8489 0.8838 0.7636 0.0149 0.0245 -0.1974 65 ASN A N 476 C CA . ASN A 89 ? 0.8431 0.9035 0.7546 0.0130 0.0165 -0.2015 65 ASN A CA 477 C C . ASN A 89 ? 0.8949 0.9156 0.7674 0.0062 0.0318 -0.2196 65 ASN A C 478 O O . ASN A 89 ? 0.9170 0.9323 0.7642 0.0171 0.0348 -0.2209 65 ASN A O 479 C CB . ASN A 89 ? 0.8082 0.9125 0.7562 -0.0003 -0.0014 -0.2065 65 ASN A CB 480 C CG . ASN A 89 ? 0.8126 0.9356 0.7416 -0.0045 -0.0154 -0.2097 65 ASN A CG 481 O OD1 . ASN A 89 ? 0.8168 0.9538 0.7551 -0.0208 -0.0274 -0.2259 65 ASN A OD1 482 N ND2 . ASN A 89 ? 0.8199 0.9441 0.7216 0.0085 -0.0138 -0.1957 65 ASN A ND2 483 N N . LEU A 90 ? 0.9249 0.9144 0.7919 -0.0129 0.0450 -0.2349 66 LEU A N 484 C CA . LEU A 90 ? 0.9916 0.9309 0.8194 -0.0234 0.0595 -0.2529 66 LEU A CA 485 C C . LEU A 90 ? 1.0472 0.9352 0.8347 0.0023 0.0685 -0.2445 66 LEU A C 486 O O . LEU A 90 ? 1.0923 0.9505 0.8493 0.0084 0.0750 -0.2567 66 LEU A O 487 C CB . LEU A 90 ? 1.0116 0.9216 0.8425 -0.0532 0.0765 -0.2676 66 LEU A CB 488 C CG . LEU A 90 ? 0.9833 0.9504 0.8717 -0.0790 0.0687 -0.2823 66 LEU A CG 489 C CD1 . LEU A 90 ? 1.0257 0.9628 0.9191 -0.1143 0.0932 -0.3020 66 LEU A CD1 490 C CD2 . LEU A 90 ? 0.9786 0.9878 0.8771 -0.0808 0.0423 -0.2916 66 LEU A CD2 491 N N . MET A 91 ? 1.0527 0.9300 0.8420 0.0190 0.0662 -0.2256 67 MET A N 492 C CA . MET A 91 ? 1.1057 0.9430 0.8700 0.0480 0.0658 -0.2159 67 MET A CA 493 C C . MET A 91 ? 1.1061 0.9868 0.8903 0.0704 0.0609 -0.2141 67 MET A C 494 O O . MET A 91 ? 1.1457 0.9982 0.9110 0.0876 0.0696 -0.2235 67 MET A O 495 C CB . MET A 91 ? 1.0988 0.9235 0.8626 0.0594 0.0557 -0.1964 67 MET A CB 496 C CG . MET A 91 ? 1.1291 0.9239 0.8805 0.0930 0.0444 -0.1850 67 MET A CG 497 S SD . MET A 91 ? 2.4689 2.2729 2.2313 0.1062 0.0197 -0.1631 67 MET A SD 498 C CE . MET A 91 ? 0.6997 0.6000 0.5280 0.0980 0.0131 -0.1595 67 MET A CE 499 N N . TRP A 92 ? 1.0745 1.0200 0.8958 0.0695 0.0500 -0.2028 68 TRP A N 500 C CA . TRP A 92 ? 1.0835 1.0730 0.9217 0.0841 0.0514 -0.1987 68 TRP A CA 501 C C . TRP A 92 ? 1.1380 1.1177 0.9441 0.0789 0.0657 -0.2199 68 TRP A C 502 O O . TRP A 92 ? 1.1634 1.1464 0.9645 0.0977 0.0797 -0.2260 68 TRP A O 503 C CB . TRP A 92 ? 1.0394 1.0870 0.9101 0.0746 0.0381 -0.1825 68 TRP A CB 504 C CG . TRP A 92 ? 1.0130 1.0719 0.9153 0.0830 0.0246 -0.1638 68 TRP A CG 505 C CD1 . TRP A 92 ? 0.9896 1.0536 0.9068 0.0717 0.0112 -0.1562 68 TRP A CD1 506 C CD2 . TRP A 92 ? 1.0160 1.0820 0.9412 0.1049 0.0211 -0.1537 68 TRP A CD2 507 N NE1 . TRP A 92 ? 0.9790 1.0457 0.9162 0.0830 -0.0009 -0.1423 68 TRP A NE1 508 C CE2 . TRP A 92 ? 0.9943 1.0653 0.9401 0.1025 0.0020 -0.1398 68 TRP A CE2 509 C CE3 . TRP A 92 ? 1.0392 1.1102 0.9755 0.1275 0.0314 -0.1577 68 TRP A CE3 510 C CZ2 . TRP A 92 ? 0.9928 1.0737 0.9675 0.1187 -0.0123 -0.1289 68 TRP A CZ2 511 C CZ3 . TRP A 92 ? 1.0318 1.1206 1.0088 0.1464 0.0185 -0.1466 68 TRP A CZ3 512 C CH2 . TRP A 92 ? 1.0081 1.1018 1.0029 0.1403 -0.0058 -0.1318 68 TRP A CH2 513 N N . LYS A 93 ? 1.1678 1.1368 0.9551 0.0529 0.0623 -0.2339 69 LYS A N 514 C CA . LYS A 93 ? 1.2371 1.1879 0.9852 0.0432 0.0706 -0.2581 69 LYS A CA 515 C C . LYS A 93 ? 1.3090 1.1937 1.0253 0.0578 0.0890 -0.2754 69 LYS A C 516 O O . LYS A 93 ? 1.3465 1.2223 1.0407 0.0741 0.1040 -0.2888 69 LYS A O 517 C CB . LYS A 93 ? 1.2516 1.2062 0.9982 0.0103 0.0567 -0.2711 69 LYS A CB 518 C CG . LYS A 93 ? 1.2157 1.2312 0.9918 0.0007 0.0335 -0.2568 69 LYS A CG 519 C CD . LYS A 93 ? 1.2206 1.2486 1.0188 -0.0272 0.0160 -0.2702 69 LYS A CD 520 C CE . LYS A 93 ? 1.1988 1.2816 1.0223 -0.0308 -0.0135 -0.2572 69 LYS A CE 521 N NZ . LYS A 93 ? 1.1872 1.2966 1.0604 -0.0510 -0.0328 -0.2683 69 LYS A NZ 522 N N . GLN A 94 ? 1.3352 1.1683 1.0457 0.0528 0.0898 -0.2748 70 GLN A N 523 C CA . GLN A 94 ? 1.4188 1.1720 1.0918 0.0644 0.1033 -0.2890 70 GLN A CA 524 C C . GLN A 94 ? 1.4326 1.1749 1.1157 0.1082 0.1074 -0.2800 70 GLN A C 525 O O . GLN A 94 ? 1.5089 1.1852 1.1648 0.1271 0.1166 -0.2924 70 GLN A O 526 C CB . GLN A 94 ? 1.4541 1.1472 1.1093 0.0429 0.1046 -0.2862 70 GLN A CB 527 C CG . GLN A 94 ? 1.4649 1.1651 1.1209 -0.0020 0.1053 -0.3027 70 GLN A CG 528 C CD . GLN A 94 ? 1.5081 1.1488 1.1477 -0.0275 0.1167 -0.3006 70 GLN A CD 529 O OE1 . GLN A 94 ? 1.5315 1.1254 1.1503 -0.0118 0.1203 -0.2818 70 GLN A OE1 530 N NE2 . GLN A 94 ? 1.5279 1.1695 1.1753 -0.0690 0.1220 -0.3200 70 GLN A NE2 531 N N . ILE A 95 ? 1.3688 1.1751 1.0967 0.1246 0.0987 -0.2595 71 ILE A N 532 C CA . ILE A 95 ? 1.3727 1.1827 1.1296 0.1651 0.0975 -0.2509 71 ILE A CA 533 C C . ILE A 95 ? 1.3289 1.2080 1.1212 0.1809 0.1120 -0.2554 71 ILE A C 534 O O . ILE A 95 ? 1.3432 1.2306 1.1672 0.2158 0.1195 -0.2588 71 ILE A O 535 C CB . ILE A 95 ? 1.3629 1.1828 1.1468 0.1719 0.0739 -0.2237 71 ILE A CB 536 C CG1 . ILE A 95 ? 1.4087 1.2033 1.2115 0.2141 0.0630 -0.2177 71 ILE A CG1 537 C CG2 . ILE A 95 ? 1.2961 1.1998 1.1255 0.1608 0.0658 -0.2082 71 ILE A CG2 538 C CD1 . ILE A 95 ? 1.3861 1.1967 1.2152 0.2227 0.0337 -0.1928 71 ILE A CD1 539 N N . THR A 96 ? 1.2754 1.2029 1.0627 0.1550 0.1164 -0.2555 72 THR A N 540 C CA . THR A 96 ? 1.2385 1.2264 1.0440 0.1610 0.1352 -0.2568 72 THR A CA 541 C C . THR A 96 ? 1.2686 1.2412 1.0652 0.1884 0.1664 -0.2830 72 THR A C 542 O O . THR A 96 ? 1.2497 1.2712 1.0948 0.2108 0.1835 -0.2806 72 THR A O 543 C CB . THR A 96 ? 1.8149 1.8316 1.5885 0.1270 0.1324 -0.2546 72 THR A CB 544 O OG1 . THR A 96 ? 1.7547 1.7937 1.5523 0.1088 0.1054 -0.2309 72 THR A OG1 545 C CG2 . THR A 96 ? 1.8254 1.8932 1.6018 0.1292 0.1557 -0.2521 72 THR A CG2 546 N N . PRO A 97 ? 1.3109 1.2164 1.0507 0.1862 0.1757 -0.3107 73 PRO A N 547 C CA . PRO A 97 ? 1.3618 1.2474 1.0935 0.2163 0.2077 -0.3395 73 PRO A CA 548 C C . PRO A 97 ? 1.3431 1.2273 1.1383 0.2621 0.2069 -0.3350 73 PRO A C 549 O O . PRO A 97 ? 1.3536 1.2828 1.1943 0.2904 0.2327 -0.3448 73 PRO A O 550 C CB . PRO A 97 ? 1.4419 1.2389 1.1021 0.2035 0.2084 -0.3679 73 PRO A CB 551 C CG . PRO A 97 ? 1.4131 1.1816 1.0653 0.1755 0.1770 -0.3498 73 PRO A CG 552 C CD . PRO A 97 ? 1.3325 1.1791 1.0194 0.1564 0.1612 -0.3208 73 PRO A CD 553 N N . GLU A 98 ? 1.3220 1.1558 1.1203 0.2688 0.1773 -0.3203 74 GLU A N 554 C CA . GLU A 98 ? 1.3196 1.1423 1.1706 0.3135 0.1642 -0.3127 74 GLU A CA 555 C C . GLU A 98 ? 1.2322 1.1537 1.1692 0.3254 0.1589 -0.2931 74 GLU A C 556 O O . GLU A 98 ? 1.2470 1.2016 1.2508 0.3651 0.1664 -0.3003 74 GLU A O 557 C CB . GLU A 98 ? 1.3404 1.0863 1.1597 0.3095 0.1301 -0.2940 74 GLU A CB 558 C CG . GLU A 98 ? 1.3866 1.0991 1.2413 0.3578 0.1077 -0.2855 74 GLU A CG 559 C CD . GLU A 98 ? 1.4378 1.0524 1.2336 0.3506 0.0783 -0.2671 74 GLU A CD 560 O OE1 . GLU A 98 ? 1.3925 1.0167 1.1699 0.3175 0.0625 -0.2454 74 GLU A OE1 561 O OE2 . GLU A 98 ? 1.5318 1.0542 1.2953 0.3776 0.0734 -0.2746 74 GLU A OE2 562 N N . LEU A 99 ? 1.1444 1.1134 1.0854 0.2905 0.1460 -0.2702 75 LEU A N 563 C CA . LEU A 99 ? 1.0674 1.1247 1.0854 0.2926 0.1398 -0.2507 75 LEU A CA 564 C C . LEU A 99 ? 1.0589 1.1851 1.1171 0.3004 0.1817 -0.2660 75 LEU A C 565 O O . LEU A 99 ? 1.0481 1.2337 1.1918 0.3260 0.1870 -0.2652 75 LEU A O 566 C CB . LEU A 99 ? 1.0103 1.0915 1.0130 0.2518 0.1212 -0.2266 75 LEU A CB 567 C CG . LEU A 99 ? 1.0011 1.0324 0.9795 0.2431 0.0841 -0.2095 75 LEU A CG 568 C CD1 . LEU A 99 ? 0.9426 1.0115 0.9258 0.2098 0.0698 -0.1890 75 LEU A CD1 569 C CD2 . LEU A 99 ? 1.0146 1.0337 1.0348 0.2780 0.0570 -0.2009 75 LEU A CD2 570 N N . ASN A 100 ? 1.0705 1.1894 1.0662 0.2762 0.2114 -0.2806 76 ASN A N 571 C CA . ASN A 100 ? 1.0875 1.2567 1.0961 0.2801 0.2596 -0.2982 76 ASN A CA 572 C C . ASN A 100 ? 1.1363 1.2931 1.1817 0.3277 0.2851 -0.3290 76 ASN A C 573 O O . ASN A 100 ? 1.1399 1.3627 1.2519 0.3465 0.3206 -0.3399 76 ASN A O 574 C CB . ASN A 100 ? 1.1204 1.2618 1.0304 0.2463 0.2795 -0.3104 76 ASN A CB 575 C CG . ASN A 100 ? 1.0671 1.2529 0.9621 0.2062 0.2722 -0.2822 76 ASN A CG 576 O OD1 . ASN A 100 ? 1.0322 1.2851 0.9841 0.2025 0.2861 -0.2653 76 ASN A OD1 577 N ND2 . ASN A 100 ? 1.0655 1.2128 0.8882 0.1757 0.2492 -0.2771 76 ASN A ND2 578 N N . HIS A 101 ? 1.1853 1.2554 1.1899 0.3467 0.2687 -0.3436 77 HIS A N 579 C CA . HIS A 101 ? 1.2639 1.3047 1.3006 0.3974 0.2856 -0.3725 77 HIS A CA 580 C C . HIS A 101 ? 1.2442 1.3422 1.3977 0.4355 0.2640 -0.3577 77 HIS A C 581 O O . HIS A 101 ? 1.0936 1.2433 1.3250 0.4625 0.2925 -0.3691 77 HIS A O 582 C CB . HIS A 101 ? 1.3232 1.2454 1.2866 0.4049 0.2645 -0.3839 77 HIS A CB 583 C CG . HIS A 101 ? 1.4172 1.2856 1.3847 0.4317 0.2896 -0.4095 77 HIS A CG 584 N ND1 . HIS A 101 ? 1.4526 1.2861 1.4741 0.4764 0.2688 -0.4064 77 HIS A ND1 585 C CD2 . HIS A 101 ? 1.3358 1.1760 1.2588 0.4197 0.3319 -0.4395 77 HIS A CD2 586 C CE1 . HIS A 101 ? 1.5397 1.3286 1.5566 0.4926 0.2995 -0.4341 77 HIS A CE1 587 N NE2 . HIS A 101 ? 1.5595 1.3522 1.5176 0.4579 0.3393 -0.4570 77 HIS A NE2 588 N N . ILE A 102 ? 1.2131 1.2968 1.3756 0.4281 0.2119 -0.3258 78 ILE A N 589 C CA . ILE A 102 ? 1.1976 1.3331 1.4624 0.4578 0.1784 -0.3085 78 ILE A CA 590 C C . ILE A 102 ? 1.1718 1.4312 1.5315 0.4480 0.2038 -0.3050 78 ILE A C 591 O O . ILE A 102 ? 1.1764 1.5010 1.6465 0.4847 0.2076 -0.3141 78 ILE A O 592 C CB . ILE A 102 ? 1.1488 1.2458 1.3830 0.4388 0.1215 -0.2745 78 ILE A CB 593 C CG1 . ILE A 102 ? 1.2163 1.1905 1.3736 0.4555 0.0957 -0.2754 78 ILE A CG1 594 C CG2 . ILE A 102 ? 1.1057 1.2715 1.4415 0.4573 0.0846 -0.2558 78 ILE A CG2 595 C CD1 . ILE A 102 ? 1.1981 1.1232 1.3076 0.4339 0.0488 -0.2446 78 ILE A CD1 596 N N . LEU A 103 ? 1.1567 1.4467 1.4758 0.3978 0.2207 -0.2917 79 LEU A N 597 C CA . LEU A 103 ? 1.1459 1.5404 1.5367 0.3781 0.2498 -0.2848 79 LEU A CA 598 C C . LEU A 103 ? 1.2286 1.6706 1.6656 0.4025 0.3121 -0.3183 79 LEU A C 599 O O . LEU A 103 ? 1.2148 1.7468 1.7552 0.4067 0.3340 -0.3166 79 LEU A O 600 C CB . LEU A 103 ? 1.1113 1.5044 1.4246 0.3221 0.2579 -0.2656 79 LEU A CB 601 C CG . LEU A 103 ? 1.0557 1.5321 1.4309 0.2910 0.2604 -0.2407 79 LEU A CG 602 C CD1 . LEU A 103 ? 1.0094 1.5205 1.4816 0.3083 0.2129 -0.2257 79 LEU A CD1 603 C CD2 . LEU A 103 ? 1.0303 1.4767 1.3195 0.2435 0.2471 -0.2169 79 LEU A CD2 604 N N . SER A 104 ? 1.3305 1.7022 1.6846 0.4122 0.3404 -0.3448 80 SER A N 605 C CA . SER A 104 ? 1.4403 1.8176 1.8071 0.4297 0.3947 -0.3640 80 SER A CA 606 C C . SER A 104 ? 1.5012 1.8757 1.9589 0.4840 0.3779 -0.3689 80 SER A C 607 O O . SER A 104 ? 1.5416 1.9706 2.0700 0.5059 0.4135 -0.3762 80 SER A O 608 C CB . SER A 104 ? 1.5214 1.8072 1.7563 0.4183 0.4216 -0.3860 80 SER A CB 609 O OG . SER A 104 ? 1.6144 1.8950 1.8503 0.4445 0.4697 -0.4066 80 SER A OG 610 N N . GLU A 105 ? 1.5179 1.8269 1.9675 0.5064 0.3219 -0.3631 81 GLU A N 611 C CA . GLU A 105 ? 1.5818 1.8755 2.1071 0.5576 0.2944 -0.3623 81 GLU A CA 612 C C . GLU A 105 ? 1.5477 1.9525 2.2092 0.5679 0.2768 -0.3442 81 GLU A C 613 O O . GLU A 105 ? 1.5943 2.0277 2.3422 0.6076 0.2755 -0.3471 81 GLU A O 614 C CB . GLU A 105 ? 1.5985 1.7910 2.0689 0.5719 0.2328 -0.3522 81 GLU A CB 615 C CG . GLU A 105 ? 1.6736 1.7462 2.0241 0.5664 0.2464 -0.3713 81 GLU A CG 616 C CD . GLU A 105 ? 1.6944 1.6648 1.9819 0.5729 0.1888 -0.3558 81 GLU A CD 617 O OE1 . GLU A 105 ? 1.6684 1.6528 2.0034 0.5905 0.1372 -0.3310 81 GLU A OE1 618 O OE2 . GLU A 105 ? 1.7464 1.6186 1.9316 0.5566 0.1951 -0.3671 81 GLU A OE2 619 N N . ASN A 106 ? 1.2792 2.0971 1.5482 0.0717 0.2673 -0.0644 82 ASN A N 620 C CA . ASN A 106 ? 1.2761 2.1870 1.5500 0.0536 0.2521 -0.0563 82 ASN A CA 621 C C . ASN A 106 ? 1.2862 2.2250 1.5521 0.0232 0.2575 -0.0757 82 ASN A C 622 O O . ASN A 106 ? 1.2773 2.2897 1.5497 -0.0001 0.2488 -0.0749 82 ASN A O 623 C CB . ASN A 106 ? 1.2626 2.1702 1.5123 0.0233 0.2240 -0.0517 82 ASN A CB 624 C CG . ASN A 106 ? 1.2704 2.1557 1.5252 0.0550 0.2195 -0.0300 82 ASN A CG 625 O OD1 . ASN A 106 ? 1.2856 2.2011 1.5700 0.1018 0.2337 -0.0096 82 ASN A OD1 626 N ND2 . ASN A 106 ? 1.2632 2.0945 1.4887 0.0321 0.2022 -0.0320 82 ASN A ND2 627 N N . GLU A 107 ? 1.3076 2.1885 1.5601 0.0235 0.2735 -0.0947 83 GLU A N 628 C CA . GLU A 107 ? 1.3226 2.2240 1.5640 0.0029 0.2842 -0.1119 83 GLU A CA 629 C C . GLU A 107 ? 1.3131 2.2259 1.5245 -0.0469 0.2678 -0.1158 83 GLU A C 630 O O . GLU A 107 ? 1.3186 2.2786 1.5309 -0.0656 0.2765 -0.1206 83 GLU A O 631 C CB . GLU A 107 ? 1.3337 2.3179 1.6149 0.0281 0.3029 -0.1051 83 GLU A CB 632 C CG . GLU A 107 ? 1.3574 2.3413 1.6334 0.0284 0.3259 -0.1244 83 GLU A CG 633 C CD . GLU A 107 ? 1.3694 2.4298 1.6893 0.0602 0.3473 -0.1165 83 GLU A CD 634 O OE1 . GLU A 107 ? 1.3858 2.4743 1.7041 0.0532 0.3639 -0.1287 83 GLU A OE1 635 O OE2 . GLU A 107 ? 1.3654 2.4594 1.7205 0.0949 0.3488 -0.0965 83 GLU A OE2 636 N N . VAL A 108 ? 1.3018 2.1684 1.4884 -0.0676 0.2476 -0.1130 84 VAL A N 637 C CA . VAL A 108 ? 1.2966 2.1587 1.4541 -0.1139 0.2357 -0.1165 84 VAL A CA 638 C C . VAL A 108 ? 1.3046 2.0926 1.4188 -0.1282 0.2391 -0.1304 84 VAL A C 639 O O . VAL A 108 ? 1.3058 2.0283 1.4057 -0.1149 0.2344 -0.1364 84 VAL A O 640 C CB . VAL A 108 ? 1.2819 2.1354 1.4345 -0.1290 0.2129 -0.1069 84 VAL A CB 641 C CG1 . VAL A 108 ? 1.2842 2.1462 1.4175 -0.1776 0.2062 -0.1110 84 VAL A CG1 642 C CG2 . VAL A 108 ? 1.2725 2.1975 1.4643 -0.1030 0.2076 -0.0927 84 VAL A CG2 643 N N . LYS A 109 ? 1.3149 2.1174 1.4097 -0.1540 0.2486 -0.1351 85 LYS A N 644 C CA . LYS A 109 ? 1.3315 2.0765 1.3815 -0.1632 0.2531 -0.1459 85 LYS A CA 645 C C . LYS A 109 ? 1.3138 1.9968 1.3291 -0.1862 0.2355 -0.1423 85 LYS A C 646 O O . LYS A 109 ? 1.3122 2.0001 1.3151 -0.2186 0.2334 -0.1336 85 LYS A O 647 C CB . LYS A 109 ? 1.3680 2.1488 1.4056 -0.1797 0.2727 -0.1470 85 LYS A CB 648 C CG . LYS A 109 ? 1.3751 2.2088 1.4305 -0.2125 0.2758 -0.1354 85 LYS A CG 649 C CD . LYS A 109 ? 1.4125 2.2719 1.4547 -0.2288 0.3003 -0.1348 85 LYS A CD 650 C CE . LYS A 109 ? 1.4154 2.3253 1.4825 -0.2659 0.3074 -0.1269 85 LYS A CE 651 N NZ . LYS A 109 ? 1.4484 2.3795 1.5051 -0.2820 0.3367 -0.1237 85 LYS A NZ 652 N N . LEU A 110 ? 1.2977 1.9222 1.3013 -0.1697 0.2254 -0.1500 86 LEU A N 653 C CA . LEU A 110 ? 1.2779 1.8413 1.2493 -0.1867 0.2093 -0.1475 86 LEU A CA 654 C C . LEU A 110 ? 1.2702 1.7775 1.2334 -0.1651 0.2033 -0.1626 86 LEU A C 655 O O . LEU A 110 ? 1.2689 1.7743 1.2634 -0.1389 0.2065 -0.1688 86 LEU A O 656 C CB . LEU A 110 ? 1.2406 1.8083 1.2266 -0.2012 0.1945 -0.1334 86 LEU A CB 657 C CG . LEU A 110 ? 1.2195 1.7245 1.1756 -0.2185 0.1792 -0.1297 86 LEU A CG 658 C CD1 . LEU A 110 ? 1.2348 1.7167 1.1503 -0.2427 0.1855 -0.1281 86 LEU A CD1 659 C CD2 . LEU A 110 ? 1.1926 1.7108 1.1634 -0.2331 0.1666 -0.1188 86 LEU A CD2 660 N N . THR A 111 ? 1.2677 1.7309 1.1910 -0.1756 0.1966 -0.1685 87 THR A N 661 C CA . THR A 111 ? 1.2575 1.6729 1.1746 -0.1597 0.1892 -0.1871 87 THR A CA 662 C C . THR A 111 ? 1.2206 1.5866 1.1250 -0.1722 0.1710 -0.1781 87 THR A C 663 O O . THR A 111 ? 1.2293 1.5796 1.0995 -0.1930 0.1652 -0.1671 87 THR A O 664 C CB . THR A 111 ? 1.3032 1.7157 1.1847 -0.1557 0.1943 -0.2058 87 THR A CB 665 O OG1 . THR A 111 ? 1.3230 1.7820 1.2140 -0.1443 0.2131 -0.2143 87 THR A OG1 666 C CG2 . THR A 111 ? 1.3142 1.6882 1.1975 -0.1402 0.1863 -0.2324 87 THR A CG2 667 N N . ILE A 112 ? 1.1761 1.5157 1.1088 -0.1580 0.1654 -0.1812 88 ILE A N 668 C CA . ILE A 112 ? 1.1365 1.4298 1.0610 -0.1673 0.1498 -0.1728 88 ILE A CA 669 C C . ILE A 112 ? 1.1365 1.3863 1.0456 -0.1623 0.1427 -0.1928 88 ILE A C 670 O O . ILE A 112 ? 1.1395 1.3813 1.0712 -0.1435 0.1490 -0.2158 88 ILE A O 671 C CB . ILE A 112 ? 1.1009 1.3882 1.0625 -0.1533 0.1489 -0.1627 88 ILE A CB 672 C CG1 . ILE A 112 ? 1.0871 1.4307 1.0661 -0.1550 0.1533 -0.1449 88 ILE A CG1 673 C CG2 . ILE A 112 ? 1.0818 1.3222 1.0325 -0.1633 0.1343 -0.1538 88 ILE A CG2 674 C CD1 . ILE A 112 ? 1.0734 1.4266 1.0901 -0.1297 0.1572 -0.1340 88 ILE A CD1 675 N N . MET A 113 ? 1.1385 1.3623 1.0122 -0.1789 0.1309 -0.1852 89 MET A N 676 C CA . MET A 113 ? 1.1535 1.3457 1.0107 -0.1740 0.1215 -0.2032 89 MET A CA 677 C C . MET A 113 ? 1.1521 1.2989 1.0064 -0.1824 0.1080 -0.1919 89 MET A C 678 O O . MET A 113 ? 1.1556 1.2919 0.9860 -0.2001 0.1035 -0.1697 89 MET A O 679 C CB . MET A 113 ? 1.1778 1.3863 0.9888 -0.1789 0.1219 -0.2048 89 MET A CB 680 C CG . MET A 113 ? 1.1964 1.4497 1.0063 -0.1688 0.1362 -0.2187 89 MET A CG 681 S SD . MET A 113 ? 1.4787 1.7526 1.2280 -0.1710 0.1396 -0.2142 89 MET A SD 682 C CE . MET A 113 ? 0.9201 1.1639 0.6485 -0.1621 0.1196 -0.2311 89 MET A CE 683 N N . THR A 114 ? 1.1555 1.2743 1.0369 -0.1703 0.1043 -0.2087 90 THR A N 684 C CA . THR A 114 ? 1.1569 1.2327 1.0408 -0.1757 0.0936 -0.1992 90 THR A CA 685 C C . THR A 114 ? 1.1839 1.2408 1.0495 -0.1750 0.0821 -0.2159 90 THR A C 686 O O . THR A 114 ? 1.2004 1.2669 1.0800 -0.1634 0.0829 -0.2466 90 THR A O 687 C CB . THR A 114 ? 1.1456 1.2009 1.0767 -0.1621 0.1005 -0.2023 90 THR A CB 688 O OG1 . THR A 114 ? 1.1379 1.2189 1.0847 -0.1579 0.1101 -0.1842 90 THR A OG1 689 C CG2 . THR A 114 ? 1.1345 1.1462 1.0668 -0.1673 0.0912 -0.1912 90 THR A CG2 690 N N . GLY A 115 ? 1.1867 1.2201 1.0227 -0.1867 0.0719 -0.1974 91 GLY A N 691 C CA . GLY A 115 ? 1.2139 1.2347 1.0314 -0.1831 0.0598 -0.2089 91 GLY A CA 692 C C . GLY A 115 ? 1.2077 1.1888 1.0505 -0.1821 0.0526 -0.2115 91 GLY A C 693 O O . GLY A 115 ? 1.2001 1.1607 1.0727 -0.1828 0.0584 -0.2033 91 GLY A O 694 N N . ASP A 116 ? 1.2037 1.1778 1.0341 -0.1783 0.0406 -0.2220 92 ASP A N 695 C CA . ASP A 116 ? 1.1710 1.1099 1.0260 -0.1775 0.0342 -0.2254 92 ASP A CA 696 C C . ASP A 116 ? 1.1671 1.0729 0.9936 -0.1881 0.0301 -0.1920 92 ASP A C 697 O O . ASP A 116 ? 1.1806 1.0903 0.9672 -0.1963 0.0321 -0.1693 92 ASP A O 698 C CB . ASP A 116 ? 1.1794 1.1349 1.0424 -0.1677 0.0227 -0.2578 92 ASP A CB 699 C CG . ASP A 116 ? 1.1921 1.1609 1.1065 -0.1607 0.0296 -0.2986 92 ASP A CG 700 O OD1 . ASP A 116 ? 1.1896 1.1316 1.1454 -0.1612 0.0432 -0.2972 92 ASP A OD1 701 O OD2 . ASP A 116 ? 1.2204 1.2270 1.1340 -0.1535 0.0234 -0.3324 92 ASP A OD2 702 N N . ILE A 117 ? 1.1469 1.0180 0.9966 -0.1881 0.0273 -0.1903 93 ILE A N 703 C CA . ILE A 117 ? 1.1434 0.9792 0.9696 -0.1966 0.0242 -0.1633 93 ILE A CA 704 C C . ILE A 117 ? 1.1469 0.9754 0.9692 -0.1886 0.0125 -0.1715 93 ILE A C 705 O O . ILE A 117 ? 1.1413 0.9777 0.9999 -0.1800 0.0080 -0.1992 93 ILE A O 706 C CB . ILE A 117 ? 1.1329 0.9359 0.9851 -0.2011 0.0310 -0.1513 93 ILE A CB 707 C CG1 . ILE A 117 ? 1.1210 0.9156 1.0252 -0.1895 0.0345 -0.1739 93 ILE A CG1 708 C CG2 . ILE A 117 ? 1.1322 0.9499 0.9818 -0.2080 0.0402 -0.1382 93 ILE A CG2 709 C CD1 . ILE A 117 ? 0.7332 0.4910 0.6595 -0.1890 0.0421 -0.1593 93 ILE A CD1 710 N N . LYS A 118 ? 1.1502 0.9654 0.9314 -0.1911 0.0094 -0.1483 94 LYS A N 711 C CA . LYS A 118 ? 1.1461 0.9563 0.9213 -0.1804 -0.0014 -0.1503 94 LYS A CA 712 C C . LYS A 118 ? 1.1466 0.9142 0.8910 -0.1870 0.0033 -0.1164 94 LYS A C 713 O O . LYS A 118 ? 1.1667 0.9244 0.8765 -0.1969 0.0133 -0.0931 94 LYS A O 714 C CB . LYS A 118 ? 1.1640 1.0220 0.9151 -0.1652 -0.0109 -0.1636 94 LYS A CB 715 C CG . LYS A 118 ? 1.1510 1.0513 0.9394 -0.1570 -0.0182 -0.2074 94 LYS A CG 716 C CD . LYS A 118 ? 1.1818 1.1376 0.9401 -0.1407 -0.0287 -0.2222 94 LYS A CD 717 C CE . LYS A 118 ? 1.1805 1.1798 0.9785 -0.1358 -0.0343 -0.2726 94 LYS A CE 718 N NZ . LYS A 118 ? 1.2159 1.2782 0.9821 -0.1185 -0.0460 -0.2916 94 LYS A NZ 719 N N . GLY A 119 ? 1.1248 0.8667 0.8852 -0.1825 -0.0014 -0.1153 95 GLY A N 720 C CA . GLY A 119 ? 1.1250 0.8219 0.8605 -0.1881 0.0053 -0.0859 95 GLY A CA 721 C C . GLY A 119 ? 1.1118 0.7773 0.8445 -0.2084 0.0181 -0.0714 95 GLY A C 722 O O . GLY A 119 ? 1.0915 0.7647 0.8520 -0.2137 0.0197 -0.0832 95 GLY A O 723 N N . ILE A 120 ? 1.1324 0.7651 0.8320 -0.2186 0.0286 -0.0465 96 ILE A N 724 C CA . ILE A 120 ? 1.1325 0.7404 0.8281 -0.2400 0.0400 -0.0367 96 ILE A CA 725 C C . ILE A 120 ? 1.1227 0.7641 0.8175 -0.2517 0.0442 -0.0420 96 ILE A C 726 O O . ILE A 120 ? 1.1425 0.8052 0.8159 -0.2517 0.0482 -0.0378 96 ILE A O 727 C CB . ILE A 120 ? 1.1727 0.7382 0.8346 -0.2508 0.0540 -0.0134 96 ILE A CB 728 C CG1 . ILE A 120 ? 1.1866 0.7217 0.8472 -0.2353 0.0511 -0.0055 96 ILE A CG1 729 C CG2 . ILE A 120 ? 1.1683 0.7128 0.8305 -0.2749 0.0644 -0.0112 96 ILE A CG2 730 C CD1 . ILE A 120 ? 1.2279 0.7146 0.8580 -0.2430 0.0685 0.0181 96 ILE A CD1 731 N N . MET A 121 ? 1.0949 0.7434 0.8127 -0.2593 0.0445 -0.0493 97 MET A N 732 C CA . MET A 121 ? 1.0884 0.7729 0.8092 -0.2694 0.0486 -0.0534 97 MET A CA 733 C C . MET A 121 ? 1.1150 0.7881 0.8106 -0.2937 0.0610 -0.0406 97 MET A C 734 O O . MET A 121 ? 1.1202 0.7755 0.8173 -0.3067 0.0644 -0.0383 97 MET A O 735 C CB . MET A 121 ? 1.0601 0.7605 0.8142 -0.2643 0.0458 -0.0627 97 MET A CB 736 C CG . MET A 121 ? 1.0427 0.7425 0.8291 -0.2431 0.0395 -0.0763 97 MET A CG 737 S SD . MET A 121 ? 0.8614 0.5783 0.6880 -0.2319 0.0439 -0.0823 97 MET A SD 738 C CE . MET A 121 ? 0.9333 0.6287 0.7977 -0.2132 0.0427 -0.0974 97 MET A CE 739 N N . GLN A 122 ? 1.1347 0.8183 0.8080 -0.2999 0.0698 -0.0338 98 GLN A N 740 C CA . GLN A 122 ? 1.1642 0.8349 0.8187 -0.3255 0.0870 -0.0235 98 GLN A CA 741 C C . GLN A 122 ? 1.1571 0.8638 0.8306 -0.3440 0.0882 -0.0343 98 GLN A C 742 O O . GLN A 122 ? 1.1301 0.8804 0.8235 -0.3343 0.0801 -0.0443 98 GLN A O 743 C CB . GLN A 122 ? 1.1881 0.8640 0.8168 -0.3247 0.1000 -0.0112 98 GLN A CB 744 C CG . GLN A 122 ? 1.2073 0.8519 0.8110 -0.3048 0.1010 0.0041 98 GLN A CG 745 C CD . GLN A 122 ? 1.2307 0.8172 0.8184 -0.3161 0.1164 0.0205 98 GLN A CD 746 O OE1 . GLN A 122 ? 1.2364 0.8056 0.8287 -0.3431 0.1291 0.0185 98 GLN A OE1 747 N NE2 . GLN A 122 ? 1.2480 0.8073 0.8180 -0.2950 0.1157 0.0350 98 GLN A NE2 748 N N . ALA A 123 ? 1.1890 0.8796 0.8576 -0.3698 0.0992 -0.0337 99 ALA A N 749 C CA . ALA A 123 ? 1.1900 0.9226 0.8770 -0.3880 0.0987 -0.0467 99 ALA A CA 750 C C . ALA A 123 ? 1.2179 0.9869 0.9064 -0.4064 0.1119 -0.0486 99 ALA A C 751 O O . ALA A 123 ? 1.2412 0.9889 0.9111 -0.4113 0.1276 -0.0372 99 ALA A O 752 C CB . ALA A 123 ? 1.1978 0.9153 0.8859 -0.3939 0.1006 -0.0512 99 ALA A CB 753 N N . GLY A 124 ? 1.2202 1.0465 0.9313 -0.4144 0.1070 -0.0614 100 GLY A N 754 C CA . GLY A 124 ? 1.2412 1.1103 0.9610 -0.4338 0.1198 -0.0659 100 GLY A CA 755 C C . GLY A 124 ? 1.2661 1.1607 1.0003 -0.4675 0.1266 -0.0815 100 GLY A C 756 O O . GLY A 124 ? 1.2536 1.1717 0.9995 -0.4661 0.1127 -0.0926 100 GLY A O 757 N N . LYS A 125 ? 1.3024 1.1967 1.0372 -0.4892 0.1474 -0.0832 101 LYS A N 758 C CA . LYS A 125 ? 1.3522 1.2712 1.1042 -0.5087 0.1525 -0.1024 101 LYS A CA 759 C C . LYS A 125 ? 1.3424 1.3493 1.1249 -0.5246 0.1444 -0.1205 101 LYS A C 760 O O . LYS A 125 ? 1.3479 1.3926 1.1456 -0.5359 0.1372 -0.1401 101 LYS A O 761 C CB . LYS A 125 ? 1.4244 1.3086 1.1726 -0.5207 0.1790 -0.0992 101 LYS A CB 762 C CG . LYS A 125 ? 1.4670 1.2727 1.1901 -0.5032 0.1868 -0.0820 101 LYS A CG 763 C CD . LYS A 125 ? 1.4595 1.2479 1.1788 -0.4918 0.1705 -0.0891 101 LYS A CD 764 C CE . LYS A 125 ? 1.4615 1.1851 1.1578 -0.4658 0.1702 -0.0687 101 LYS A CE 765 N NZ . LYS A 125 ? 1.4361 1.1488 1.1310 -0.4523 0.1539 -0.0742 101 LYS A NZ 766 N N . ARG A 126 ? 1.3341 1.3802 1.1264 -0.5218 0.1452 -0.1142 102 ARG A N 767 C CA . ARG A 126 ? 1.3273 1.4630 1.1508 -0.5186 0.1338 -0.1273 102 ARG A CA 768 C C . ARG A 126 ? 1.3373 1.4954 1.1641 -0.4868 0.1077 -0.1270 102 ARG A C 769 O O . ARG A 126 ? 1.3311 1.4335 1.1378 -0.4688 0.0998 -0.1171 102 ARG A O 770 C CB . ARG A 126 ? 1.2979 1.4635 1.1283 -0.5040 0.1406 -0.1175 102 ARG A CB 771 C CG . ARG A 126 ? 1.3212 1.4707 1.1486 -0.5320 0.1700 -0.1141 102 ARG A CG 772 C CD . ARG A 126 ? 1.3338 1.5216 1.1889 -0.5687 0.1817 -0.1360 102 ARG A CD 773 N NE . ARG A 126 ? 1.3091 1.5909 1.2010 -0.5770 0.1811 -0.1481 102 ARG A NE 774 C CZ . ARG A 126 ? 1.3223 1.6234 1.2259 -0.5863 0.2024 -0.1455 102 ARG A CZ 775 N NH1 . ARG A 126 ? 1.3573 1.5902 1.2373 -0.5887 0.2264 -0.1297 102 ARG A NH1 776 N NH2 . ARG A 126 ? 1.3032 1.6944 1.2429 -0.5905 0.2004 -0.1569 102 ARG A NH2 777 N N . SER A 127 ? 1.3627 1.6036 1.2162 -0.4784 0.0964 -0.1361 103 SER A N 778 C CA . SER A 127 ? 1.3719 1.6386 1.2296 -0.4433 0.0760 -0.1310 103 SER A CA 779 C C . SER A 127 ? 1.3593 1.7187 1.2472 -0.4262 0.0694 -0.1333 103 SER A C 780 O O . SER A 127 ? 1.3689 1.7921 1.2784 -0.4511 0.0741 -0.1490 103 SER A O 781 C CB . SER A 127 ? 1.4037 1.6686 1.2534 -0.4547 0.0670 -0.1425 103 SER A CB 782 O OG . SER A 127 ? 1.4010 1.6693 1.2467 -0.4163 0.0517 -0.1305 103 SER A OG 783 N N . LEU A 128 ? 1.3424 1.7086 1.2349 -0.3834 0.0608 -0.1181 104 LEU A N 784 C CA . LEU A 128 ? 1.3412 1.7895 1.2622 -0.3593 0.0571 -0.1155 104 LEU A CA 785 C C . LEU A 128 ? 1.3493 1.8846 1.2864 -0.3626 0.0449 -0.1269 104 LEU A C 786 O O . LEU A 128 ? 1.3595 1.8852 1.2823 -0.3659 0.0355 -0.1311 104 LEU A O 787 C CB . LEU A 128 ? 1.3530 1.7777 1.2765 -0.3117 0.0553 -0.0961 104 LEU A CB 788 C CG . LEU A 128 ? 1.3846 1.7394 1.2971 -0.3045 0.0652 -0.0902 104 LEU A CG 789 C CD1 . LEU A 128 ? 1.3862 1.7170 1.3078 -0.2613 0.0655 -0.0771 104 LEU A CD1 790 C CD2 . LEU A 128 ? 1.4053 1.7911 1.3278 -0.3171 0.0766 -0.0961 104 LEU A CD2 791 N N . ARG A 129 ? 1.3417 1.9667 1.3084 -0.3607 0.0448 -0.1330 105 ARG A N 792 C CA . ARG A 129 ? 1.3369 2.0637 1.3226 -0.3571 0.0308 -0.1440 105 ARG A CA 793 C C . ARG A 129 ? 1.2869 2.0727 1.2910 -0.3040 0.0260 -0.1231 105 ARG A C 794 O O . ARG A 129 ? 1.2668 2.0617 1.2881 -0.2889 0.0364 -0.1142 105 ARG A O 795 C CB . ARG A 129 ? 1.3719 2.1709 1.3842 -0.4012 0.0351 -0.1719 105 ARG A CB 796 C CG . ARG A 129 ? 1.4089 2.1943 1.4129 -0.4507 0.0353 -0.2001 105 ARG A CG 797 C CD . ARG A 129 ? 1.4338 2.1061 1.4139 -0.4799 0.0539 -0.1979 105 ARG A CD 798 N NE . ARG A 129 ? 1.4718 2.1228 1.4457 -0.5256 0.0587 -0.2240 105 ARG A NE 799 C CZ . ARG A 129 ? 1.5068 2.1888 1.5052 -0.5738 0.0733 -0.2514 105 ARG A CZ 800 N NH1 . ARG A 129 ? 1.5129 2.2486 1.5412 -0.5795 0.0835 -0.2538 105 ARG A NH1 801 N NH2 . ARG A 129 ? 1.5493 2.1827 1.5323 -0.5932 0.0820 -0.2684 105 ARG A NH2 802 N N . PRO A 130 ? 1.2690 2.0948 1.2684 -0.2733 0.0126 -0.1141 106 PRO A N 803 C CA . PRO A 130 ? 1.2440 2.1273 1.2607 -0.2179 0.0115 -0.0898 106 PRO A CA 804 C C . PRO A 130 ? 1.2229 2.2319 1.2744 -0.2183 0.0063 -0.1008 106 PRO A C 805 O O . PRO A 130 ? 1.2257 2.2969 1.2860 -0.2576 -0.0031 -0.1298 106 PRO A O 806 C CB . PRO A 130 ? 1.2565 2.1469 1.2523 -0.1901 -0.0002 -0.0777 106 PRO A CB 807 C CG . PRO A 130 ? 1.2714 2.1676 1.2509 -0.2381 -0.0115 -0.1082 106 PRO A CG 808 C CD . PRO A 130 ? 1.2744 2.0903 1.2497 -0.2858 0.0006 -0.1241 106 PRO A CD 809 N N . GLN A 131 ? 1.2013 2.2477 1.2758 -0.1760 0.0142 -0.0799 107 GLN A N 810 C CA . GLN A 131 ? 1.1870 2.3572 1.2978 -0.1705 0.0102 -0.0873 107 GLN A CA 811 C C . GLN A 131 ? 1.1956 2.4464 1.3163 -0.1087 0.0036 -0.0609 107 GLN A C 812 O O . GLN A 131 ? 1.1968 2.4414 1.3316 -0.0624 0.0180 -0.0333 107 GLN A O 813 C CB . GLN A 131 ? 1.1623 2.3200 1.2961 -0.1755 0.0286 -0.0868 107 GLN A CB 814 C CG . GLN A 131 ? 1.1472 2.4290 1.3216 -0.1846 0.0264 -0.1016 107 GLN A CG 815 C CD . GLN A 131 ? 1.1402 2.4718 1.3223 -0.2442 0.0159 -0.1391 107 GLN A CD 816 O OE1 . GLN A 131 ? 1.1401 2.3945 1.3053 -0.2911 0.0233 -0.1557 107 GLN A OE1 817 N NE2 . GLN A 131 ? 1.1386 2.6014 1.3482 -0.2418 0.0002 -0.1536 107 GLN A NE2 818 N N . HIS A 153 ? 1.6811 2.2824 1.3480 -0.1817 0.3214 -0.1454 129 HIS A N 819 C CA . HIS A 153 ? 1.6381 2.2771 1.3633 -0.1823 0.3257 -0.1563 129 HIS A CA 820 C C . HIS A 153 ? 1.5671 2.1882 1.3371 -0.1976 0.3064 -0.1528 129 HIS A C 821 O O . HIS A 153 ? 1.5576 2.1804 1.3430 -0.2248 0.3105 -0.1326 129 HIS A O 822 C CB . HIS A 153 ? 1.6399 2.2984 1.3737 -0.1516 0.3239 -0.1899 129 HIS A CB 823 C CG . HIS A 153 ? 1.1204 1.8167 0.8242 -0.1364 0.3478 -0.1962 129 HIS A CG 824 N ND1 . HIS A 153 ? 1.1242 1.8703 0.8582 -0.1332 0.3709 -0.1967 129 HIS A ND1 825 C CD2 . HIS A 153 ? 1.1652 1.8615 0.8101 -0.1214 0.3527 -0.2018 129 HIS A CD2 826 C CE1 . HIS A 153 ? 1.1695 1.9404 0.8640 -0.1181 0.3903 -0.2026 129 HIS A CE1 827 N NE2 . HIS A 153 ? 1.2277 1.9705 0.8660 -0.1099 0.3793 -0.2058 129 HIS A NE2 828 N N . ASN A 154 ? 1.5193 2.1245 1.3108 -0.1798 0.2876 -0.1740 130 ASN A N 829 C CA . ASN A 154 ? 1.4466 2.0380 1.2792 -0.1871 0.2706 -0.1705 130 ASN A CA 830 C C . ASN A 154 ? 1.4188 1.9646 1.2319 -0.2096 0.2559 -0.1537 130 ASN A C 831 O O . ASN A 154 ? 1.4339 1.9442 1.2026 -0.2098 0.2516 -0.1512 130 ASN A O 832 C CB . ASN A 154 ? 1.4133 1.9874 1.2690 -0.1608 0.2590 -0.1949 130 ASN A CB 833 C CG . ASN A 154 ? 1.4083 2.0188 1.2818 -0.1364 0.2763 -0.2153 130 ASN A CG 834 O OD1 . ASN A 154 ? 1.4298 2.0675 1.2781 -0.1336 0.2928 -0.2187 130 ASN A OD1 835 N ND2 . ASN A 154 ? 1.3826 1.9920 1.2994 -0.1167 0.2755 -0.2278 130 ASN A ND2 836 N N . GLN A 155 ? 1.3806 1.9309 1.2264 -0.2268 0.2484 -0.1427 131 GLN A N 837 C CA . GLN A 155 ? 1.3642 1.8714 1.1951 -0.2492 0.2362 -0.1289 131 GLN A CA 838 C C . GLN A 155 ? 1.3358 1.7926 1.1594 -0.2347 0.2139 -0.1386 131 GLN A C 839 O O . GLN A 155 ? 1.3324 1.7905 1.1743 -0.2102 0.2084 -0.1563 131 GLN A O 840 C CB . GLN A 155 ? 1.3479 1.8831 1.2160 -0.2731 0.2351 -0.1192 131 GLN A CB 841 C CG . GLN A 155 ? 1.3719 1.9487 1.2469 -0.2980 0.2585 -0.1094 131 GLN A CG 842 C CD . GLN A 155 ? 1.4127 1.9508 1.2415 -0.3136 0.2743 -0.0953 131 GLN A CD 843 O OE1 . GLN A 155 ? 1.4187 1.9009 1.2194 -0.3200 0.2648 -0.0880 131 GLN A OE1 844 N NE2 . GLN A 155 ? 1.4456 2.0133 1.2661 -0.3172 0.3009 -0.0889 131 GLN A NE2 845 N N . THR A 156 ? 1.3182 1.7292 1.1182 -0.2502 0.2042 -0.1274 132 THR A N 846 C CA . THR A 156 ? 1.2881 1.6510 1.0793 -0.2381 0.1846 -0.1358 132 THR A CA 847 C C . THR A 156 ? 1.2325 1.5635 1.0327 -0.2559 0.1718 -0.1239 132 THR A C 848 O O . THR A 156 ? 1.2465 1.5654 1.0314 -0.2807 0.1776 -0.1080 132 THR A O 849 C CB . THR A 156 ? 1.3410 1.6768 1.0839 -0.2299 0.1838 -0.1377 132 THR A CB 850 O OG1 . THR A 156 ? 1.3639 1.7291 1.1010 -0.2075 0.1905 -0.1577 132 THR A OG1 851 C CG2 . THR A 156 ? 1.3377 1.6253 1.0737 -0.2236 0.1634 -0.1436 132 THR A CG2 852 N N . PHE A 157 ? 1.1645 1.4805 0.9903 -0.2427 0.1575 -0.1321 133 PHE A N 853 C CA . PHE A 157 ? 1.1068 1.3929 0.9392 -0.2553 0.1449 -0.1225 133 PHE A CA 854 C C . PHE A 157 ? 1.0794 1.3102 0.8964 -0.2449 0.1312 -0.1279 133 PHE A C 855 O O . PHE A 157 ? 1.0595 1.2810 0.8966 -0.2235 0.1257 -0.1421 133 PHE A O 856 C CB . PHE A 157 ? 1.0635 1.3808 0.9379 -0.2474 0.1410 -0.1222 133 PHE A CB 857 C CG . PHE A 157 ? 1.0337 1.3420 0.9124 -0.2661 0.1317 -0.1114 133 PHE A CG 858 C CD1 . PHE A 157 ? 1.0335 1.3714 0.9124 -0.2949 0.1377 -0.1049 133 PHE A CD1 859 C CD2 . PHE A 157 ? 1.0139 1.2854 0.8980 -0.2558 0.1188 -0.1100 133 PHE A CD2 860 C CE1 . PHE A 157 ? 1.0220 1.3554 0.9052 -0.3137 0.1293 -0.1007 133 PHE A CE1 861 C CE2 . PHE A 157 ? 1.0008 1.2668 0.8855 -0.2719 0.1106 -0.1018 133 PHE A CE2 862 C CZ . PHE A 157 ? 1.0068 1.3051 0.8904 -0.3011 0.1150 -0.0989 133 PHE A CZ 863 N N . LEU A 158 ? 1.0752 1.2692 0.8602 -0.2604 0.1283 -0.1168 134 LEU A N 864 C CA . LEU A 158 ? 1.0609 1.2089 0.8281 -0.2503 0.1162 -0.1214 134 LEU A CA 865 C C . LEU A 158 ? 1.0336 1.1453 0.8154 -0.2539 0.1040 -0.1171 134 LEU A C 866 O O . LEU A 158 ? 1.0389 1.1249 0.8053 -0.2726 0.1034 -0.1026 134 LEU A O 867 C CB . LEU A 158 ? 1.0789 1.2070 0.8006 -0.2579 0.1215 -0.1088 134 LEU A CB 868 C CG . LEU A 158 ? 1.0926 1.2539 0.7904 -0.2520 0.1359 -0.1089 134 LEU A CG 869 C CD1 . LEU A 158 ? 1.1020 1.2821 0.7968 -0.2756 0.1559 -0.0908 134 LEU A CD1 870 C CD2 . LEU A 158 ? 1.1142 1.2572 0.7685 -0.2388 0.1332 -0.1058 134 LEU A CD2 871 N N . ILE A 159 ? 1.0138 1.1207 0.8258 -0.2354 0.0975 -0.1297 135 ILE A N 872 C CA . ILE A 159 ? 1.0004 1.0706 0.8253 -0.2343 0.0879 -0.1254 135 ILE A CA 873 C C . ILE A 159 ? 1.0185 1.0466 0.8257 -0.2300 0.0790 -0.1310 135 ILE A C 874 O O . ILE A 159 ? 1.0281 1.0593 0.8390 -0.2149 0.0771 -0.1500 135 ILE A O 875 C CB . ILE A 159 ? 0.9835 1.0609 0.8498 -0.2134 0.0897 -0.1336 135 ILE A CB 876 C CG1 . ILE A 159 ? 0.9776 1.1054 0.8640 -0.2112 0.0982 -0.1272 135 ILE A CG1 877 C CG2 . ILE A 159 ? 0.9726 1.0117 0.8498 -0.2109 0.0828 -0.1259 135 ILE A CG2 878 C CD1 . ILE A 159 ? 0.9655 1.1001 0.8917 -0.1856 0.1041 -0.1292 135 ILE A CD1 879 N N . ASP A 160 ? 1.0265 1.0191 0.8165 -0.2429 0.0737 -0.1169 136 ASP A N 880 C CA . ASP A 160 ? 1.0411 0.9964 0.8154 -0.2378 0.0651 -0.1192 136 ASP A CA 881 C C . ASP A 160 ? 1.0818 1.0502 0.8268 -0.2308 0.0650 -0.1253 136 ASP A C 882 O O . ASP A 160 ? 1.0998 1.0905 0.8216 -0.2378 0.0747 -0.1164 136 ASP A O 883 C CB . ASP A 160 ? 1.0108 0.9481 0.8195 -0.2215 0.0586 -0.1348 136 ASP A CB 884 C CG . ASP A 160 ? 0.9860 0.8927 0.8077 -0.2263 0.0568 -0.1219 136 ASP A CG 885 O OD1 . ASP A 160 ? 0.9875 0.8676 0.7851 -0.2399 0.0541 -0.1071 136 ASP A OD1 886 O OD2 . ASP A 160 ? 0.9695 0.8780 0.8251 -0.2149 0.0604 -0.1258 136 ASP A OD2 887 N N . GLY A 161 ? 1.1032 1.0619 0.8503 -0.2159 0.0549 -0.1410 137 GLY A N 888 C CA . GLY A 161 ? 1.1531 1.1304 0.8689 -0.2050 0.0516 -0.1475 137 GLY A CA 889 C C . GLY A 161 ? 1.2008 1.1510 0.8767 -0.2099 0.0518 -0.1214 137 GLY A C 890 O O . GLY A 161 ? 1.1964 1.1087 0.8744 -0.2225 0.0530 -0.1045 137 GLY A O 891 N N . PRO A 162 ? 1.2529 1.2228 0.8909 -0.1980 0.0528 -0.1170 138 PRO A N 892 C CA . PRO A 162 ? 1.3013 1.2451 0.8987 -0.1972 0.0577 -0.0876 138 PRO A CA 893 C C . PRO A 162 ? 1.3496 1.2832 0.9232 -0.2150 0.0805 -0.0592 138 PRO A C 894 O O . PRO A 162 ? 1.3428 1.3000 0.9299 -0.2262 0.0896 -0.0643 138 PRO A O 895 C CB . PRO A 162 ? 1.3258 1.3068 0.8938 -0.1711 0.0499 -0.0967 138 PRO A CB 896 C CG . PRO A 162 ? 1.3174 1.3455 0.8951 -0.1671 0.0520 -0.1210 138 PRO A CG 897 C CD . PRO A 162 ? 1.2697 1.2889 0.9002 -0.1807 0.0500 -0.1403 138 PRO A CD 898 N N . GLU A 163 ? 1.4054 1.3044 0.9473 -0.2172 0.0917 -0.0298 139 GLU A N 899 C CA . GLU A 163 ? 1.4621 1.3443 0.9849 -0.2364 0.1187 -0.0031 139 GLU A CA 900 C C . GLU A 163 ? 1.5240 1.4461 1.0205 -0.2268 0.1331 0.0029 139 GLU A C 901 O O . GLU A 163 ? 1.5365 1.4971 1.0189 -0.2012 0.1214 -0.0107 139 GLU A O 902 C CB . GLU A 163 ? 1.4945 1.3241 0.9902 -0.2373 0.1318 0.0272 139 GLU A CB 903 C CG . GLU A 163 ? 1.4652 1.2520 0.9837 -0.2479 0.1213 0.0234 139 GLU A CG 904 C CD . GLU A 163 ? 1.4437 1.2130 0.9894 -0.2820 0.1307 0.0193 139 GLU A CD 905 O OE1 . GLU A 163 ? 1.4547 1.2408 1.0019 -0.3002 0.1483 0.0225 139 GLU A OE1 906 O OE2 . GLU A 163 ? 1.4202 1.1633 0.9863 -0.2901 0.1206 0.0119 139 GLU A OE2 907 N N . THR A 164 ? 1.5737 1.4888 1.0652 -0.2481 0.1598 0.0209 140 THR A N 908 C CA . THR A 164 ? 1.6381 1.5863 1.1040 -0.2408 0.1798 0.0317 140 THR A CA 909 C C . THR A 164 ? 1.6939 1.6140 1.1532 -0.2668 0.2159 0.0595 140 THR A C 910 O O . THR A 164 ? 1.6883 1.5739 1.1718 -0.2954 0.2226 0.0610 140 THR A O 911 C CB . THR A 164 ? 1.6215 1.6248 1.1134 -0.2406 0.1714 0.0031 140 THR A CB 912 O OG1 . THR A 164 ? 1.6634 1.6960 1.1311 -0.2369 0.1952 0.0160 140 THR A OG1 913 C CG2 . THR A 164 ? 1.5855 1.5878 1.1255 -0.2696 0.1692 -0.0103 140 THR A CG2 914 N N . ALA A 165 ? 1.7498 1.6862 1.1777 -0.2572 0.2412 0.0798 141 ALA A N 915 C CA . ALA A 165 ? 1.8035 1.7140 1.2297 -0.2829 0.2816 0.1054 141 ALA A CA 916 C C . ALA A 165 ? 1.7907 1.7399 1.2570 -0.3113 0.2891 0.0863 141 ALA A C 917 O O . ALA A 165 ? 1.8077 1.7388 1.2964 -0.3454 0.3147 0.0928 141 ALA A O 918 C CB . ALA A 165 ? 1.8719 1.7793 1.2460 -0.2579 0.3109 0.1411 141 ALA A CB 919 N N . GLU A 166 ? 1.7607 1.7653 1.2387 -0.2970 0.2679 0.0609 142 GLU A N 920 C CA . GLU A 166 ? 1.7339 1.7831 1.2513 -0.3177 0.2728 0.0427 142 GLU A CA 921 C C . GLU A 166 ? 1.6731 1.7162 1.2386 -0.3461 0.2586 0.0241 142 GLU A C 922 O O . GLU A 166 ? 1.6662 1.7363 1.2661 -0.3726 0.2703 0.0164 142 GLU A O 923 C CB . GLU A 166 ? 1.7183 1.8236 1.2371 -0.2917 0.2544 0.0193 142 GLU A CB 924 C CG . GLU A 166 ? 1.6739 1.7827 1.2123 -0.2772 0.2174 -0.0085 142 GLU A CG 925 C CD . GLU A 166 ? 1.6582 1.8191 1.2083 -0.2569 0.2053 -0.0357 142 GLU A CD 926 O OE1 . GLU A 166 ? 1.6263 1.8153 1.2179 -0.2677 0.2029 -0.0517 142 GLU A OE1 927 O OE2 . GLU A 166 ? 1.6825 1.8586 1.2009 -0.2290 0.1987 -0.0421 142 GLU A OE2 928 N N . CYS A 167 ? 1.6258 1.6388 1.1938 -0.3390 0.2333 0.0163 143 CYS A N 929 C CA . CYS A 167 ? 1.5564 1.5632 1.1634 -0.3607 0.2188 0.0005 143 CYS A CA 930 C C . CYS A 167 ? 1.5356 1.4814 1.1310 -0.3659 0.2143 0.0101 143 CYS A C 931 O O . CYS A 167 ? 1.5194 1.4456 1.1000 -0.3421 0.1946 0.0089 143 CYS A O 932 C CB . CYS A 167 ? 1.5065 1.5500 1.1409 -0.3437 0.1898 -0.0251 143 CYS A CB 933 S SG . CYS A 167 ? 1.1316 1.1578 0.7999 -0.3571 0.1690 -0.0379 143 CYS A SG 934 N N . PRO A 168 ? 1.5304 1.4478 1.1359 -0.3984 0.2341 0.0170 144 PRO A N 935 C CA . PRO A 168 ? 1.5279 1.3846 1.1248 -0.4067 0.2346 0.0249 144 PRO A CA 936 C C . PRO A 168 ? 1.4589 1.3210 1.0840 -0.4107 0.2062 0.0028 144 PRO A C 937 O O . PRO A 168 ? 1.4315 1.3441 1.0864 -0.4136 0.1927 -0.0160 144 PRO A O 938 C CB . PRO A 168 ? 1.5740 1.4084 1.1800 -0.4445 0.2702 0.0328 144 PRO A CB 939 C CG . PRO A 168 ? 1.5587 1.4572 1.1989 -0.4635 0.2737 0.0151 144 PRO A CG 940 C CD . PRO A 168 ? 1.5430 1.4873 1.1729 -0.4309 0.2593 0.0142 144 PRO A CD 941 N N . ASN A 169 ? 1.4356 1.2472 1.0508 -0.4082 0.1992 0.0074 145 ASN A N 942 C CA . ASN A 169 ? 1.3751 1.1878 1.0135 -0.4105 0.1756 -0.0103 145 ASN A CA 943 C C . ASN A 169 ? 1.3512 1.1860 1.0186 -0.4453 0.1822 -0.0258 145 ASN A C 944 O O . ASN A 169 ? 1.3097 1.1740 1.0005 -0.4451 0.1626 -0.0424 145 ASN A O 945 C CB . ASN A 169 ? 1.3885 1.1409 1.0093 -0.4012 0.1704 -0.0010 145 ASN A CB 946 C CG . ASN A 169 ? 1.4000 1.1417 0.9966 -0.3656 0.1597 0.0101 145 ASN A CG 947 O OD1 . ASN A 169 ? 1.4461 1.1598 1.0122 -0.3567 0.1759 0.0316 145 ASN A OD1 948 N ND2 . ASN A 169 ? 1.3636 1.1297 0.9750 -0.3442 0.1340 -0.0050 145 ASN A ND2 949 N N . THR A 170 ? 1.3790 1.2024 1.0459 -0.4745 0.2116 -0.0208 146 THR A N 950 C CA . THR A 170 ? 1.3604 1.2130 1.0608 -0.4996 0.2142 -0.0420 146 THR A CA 951 C C . THR A 170 ? 1.3274 1.2591 1.0553 -0.5137 0.2107 -0.0562 146 THR A C 952 O O . THR A 170 ? 1.3158 1.2905 1.0741 -0.5296 0.2042 -0.0774 146 THR A O 953 C CB . THR A 170 ? 1.3936 1.2148 1.0979 -0.5102 0.2416 -0.0375 146 THR A CB 954 O OG1 . THR A 170 ? 1.3886 1.2461 1.1272 -0.5342 0.2422 -0.0636 146 THR A OG1 955 C CG2 . THR A 170 ? 1.4168 1.2439 1.1103 -0.5095 0.2664 -0.0187 146 THR A CG2 956 N N . ASN A 171 ? 1.3139 1.2708 1.0337 -0.4886 0.2075 -0.0470 147 ASN A N 957 C CA . ASN A 171 ? 1.2861 1.3188 1.0339 -0.4849 0.1999 -0.0595 147 ASN A CA 958 C C . ASN A 171 ? 1.2405 1.2997 0.9982 -0.4531 0.1691 -0.0674 147 ASN A C 959 O O . ASN A 171 ? 1.2213 1.3418 1.0040 -0.4445 0.1615 -0.0767 147 ASN A O 960 C CB . ASN A 171 ? 1.3038 1.3528 1.0402 -0.4768 0.2190 -0.0472 147 ASN A CB 961 C CG . ASN A 171 ? 1.3421 1.3989 1.0908 -0.5129 0.2528 -0.0455 147 ASN A CG 962 O OD1 . ASN A 171 ? 1.3691 1.3892 1.1223 -0.5380 0.2664 -0.0477 147 ASN A OD1 963 N ND2 . ASN A 171 ? 1.3479 1.4512 1.1059 -0.5113 0.2664 -0.0437 147 ASN A ND2 964 N N . ARG A 172 ? 1.2297 1.2412 0.9700 -0.4349 0.1544 -0.0625 148 ARG A N 965 C CA . ARG A 172 ? 1.1885 1.2141 0.9408 -0.4058 0.1302 -0.0689 148 ARG A CA 966 C C . ARG A 172 ? 1.1595 1.2032 0.9326 -0.4148 0.1183 -0.0793 148 ARG A C 967 O O . ARG A 172 ? 1.1776 1.1993 0.9462 -0.4403 0.1241 -0.0823 148 ARG A O 968 C CB . ARG A 172 ? 1.2007 1.1712 0.9293 -0.3823 0.1213 -0.0608 148 ARG A CB 969 C CG . ARG A 172 ? 1.2381 1.1978 0.9415 -0.3680 0.1297 -0.0517 148 ARG A CG 970 C CD . ARG A 172 ? 1.2307 1.2247 0.9456 -0.3393 0.1183 -0.0622 148 ARG A CD 971 N NE . ARG A 172 ? 1.2689 1.2641 0.9572 -0.3259 0.1260 -0.0572 148 ARG A NE 972 C CZ . ARG A 172 ? 1.2736 1.2821 0.9609 -0.2993 0.1160 -0.0685 148 ARG A CZ 973 N NH1 . ARG A 172 ? 1.2471 1.2617 0.9628 -0.2843 0.1011 -0.0842 148 ARG A NH1 974 N NH2 . ARG A 172 ? 1.3036 1.3200 0.9620 -0.2871 0.1229 -0.0648 148 ARG A NH2 975 N N . ALA A 173 ? 1.1174 1.2021 0.9127 -0.3923 0.1036 -0.0846 149 ALA A N 976 C CA . ALA A 173 ? 1.0975 1.2027 0.9077 -0.3917 0.0912 -0.0906 149 ALA A CA 977 C C . ALA A 173 ? 1.0857 1.1395 0.8860 -0.3687 0.0799 -0.0841 149 ALA A C 978 O O . ALA A 173 ? 1.0803 1.1086 0.8777 -0.3451 0.0776 -0.0794 149 ALA A O 979 C CB . ALA A 173 ? 1.0748 1.2563 0.9152 -0.3766 0.0850 -0.0954 149 ALA A CB 980 N N . TRP A 174 ? 1.0840 1.1262 0.8811 -0.3766 0.0739 -0.0865 150 TRP A N 981 C CA . TRP A 174 ? 1.0736 1.0627 0.8608 -0.3589 0.0666 -0.0796 150 TRP A CA 982 C C . TRP A 174 ? 1.0675 1.0707 0.8572 -0.3600 0.0590 -0.0829 150 TRP A C 983 O O . TRP A 174 ? 1.0836 1.1157 0.8722 -0.3864 0.0606 -0.0942 150 TRP A O 984 C CB . TRP A 174 ? 1.0990 1.0202 0.8602 -0.3717 0.0741 -0.0746 150 TRP A CB 985 C CG . TRP A 174 ? 1.1061 0.9751 0.8572 -0.3628 0.0687 -0.0698 150 TRP A CG 986 C CD1 . TRP A 174 ? 1.0949 0.9340 0.8502 -0.3358 0.0623 -0.0640 150 TRP A CD1 987 C CD2 . TRP A 174 ? 1.1313 0.9721 0.8690 -0.3822 0.0716 -0.0727 150 TRP A CD2 988 N NE1 . TRP A 174 ? 1.1041 0.8989 0.8495 -0.3360 0.0608 -0.0604 150 TRP A NE1 989 C CE2 . TRP A 174 ? 1.1255 0.9195 0.8579 -0.3633 0.0662 -0.0654 150 TRP A CE2 990 C CE3 . TRP A 174 ? 1.1592 1.0106 0.8918 -0.4150 0.0797 -0.0838 150 TRP A CE3 991 C CZ2 . TRP A 174 ? 1.1398 0.8965 0.8583 -0.3739 0.0686 -0.0664 150 TRP A CZ2 992 C CZ3 . TRP A 174 ? 1.1735 0.9894 0.8938 -0.4218 0.0816 -0.0870 150 TRP A CZ3 993 C CH2 . TRP A 174 ? 1.1626 0.9335 0.8751 -0.3975 0.0756 -0.0767 150 TRP A CH2 994 N N . ASN A 175 ? 1.0448 1.0288 0.8385 -0.3316 0.0523 -0.0744 151 ASN A N 995 C CA . ASN A 175 ? 1.0417 1.0412 0.8347 -0.3241 0.0459 -0.0736 151 ASN A CA 996 C C . ASN A 175 ? 1.0462 1.1311 0.8536 -0.3243 0.0408 -0.0801 151 ASN A C 997 O O . ASN A 175 ? 1.0693 1.1851 0.8698 -0.3442 0.0370 -0.0923 151 ASN A O 998 C CB . ASN A 175 ? 1.0563 1.0121 0.8257 -0.3490 0.0478 -0.0800 151 ASN A CB 999 C CG . ASN A 175 ? 1.0547 1.0050 0.8179 -0.3326 0.0423 -0.0756 151 ASN A CG 1000 O OD1 . ASN A 175 ? 1.0416 0.9927 0.8160 -0.2990 0.0403 -0.0619 151 ASN A OD1 1001 N ND2 . ASN A 175 ? 1.0725 1.0153 0.8184 -0.3561 0.0427 -0.0875 151 ASN A ND2 1002 N N . SER A 176 ? 1.0322 1.1585 0.8614 -0.3019 0.0414 -0.0740 152 SER A N 1003 C CA . SER A 176 ? 1.0376 1.2527 0.8843 -0.2964 0.0367 -0.0776 152 SER A CA 1004 C C . SER A 176 ? 1.0253 1.2654 0.8899 -0.2498 0.0367 -0.0594 152 SER A C 1005 O O . SER A 176 ? 1.0213 1.3342 0.9048 -0.2346 0.0353 -0.0568 152 SER A O 1006 C CB . SER A 176 ? 1.0496 1.3020 0.9091 -0.3167 0.0422 -0.0877 152 SER A CB 1007 O OG . SER A 176 ? 1.0510 1.2724 0.9170 -0.3005 0.0497 -0.0799 152 SER A OG 1008 N N . LEU A 177 ? 1.0259 1.2048 0.8870 -0.2266 0.0410 -0.0460 153 LEU A N 1009 C CA . LEU A 177 ? 1.0219 1.2107 0.9014 -0.1816 0.0474 -0.0261 153 LEU A CA 1010 C C . LEU A 177 ? 1.0384 1.1899 0.9054 -0.1641 0.0487 -0.0128 153 LEU A C 1011 O O . LEU A 177 ? 1.0330 1.1124 0.8912 -0.1721 0.0518 -0.0141 153 LEU A O 1012 C CB . LEU A 177 ? 1.0018 1.1530 0.9032 -0.1649 0.0596 -0.0231 153 LEU A CB 1013 C CG . LEU A 177 ? 0.9872 1.1899 0.9070 -0.1643 0.0628 -0.0292 153 LEU A CG 1014 C CD1 . LEU A 177 ? 0.9812 1.1463 0.9229 -0.1451 0.0763 -0.0296 153 LEU A CD1 1015 C CD2 . LEU A 177 ? 0.9884 1.2743 0.9217 -0.1413 0.0612 -0.0181 153 LEU A CD2 1016 N N . GLU A 178 ? 1.0629 1.2679 0.9289 -0.1379 0.0468 0.0008 154 GLU A N 1017 C CA . GLU A 178 ? 1.0956 1.2734 0.9474 -0.1167 0.0503 0.0165 154 GLU A CA 1018 C C . GLU A 178 ? 1.1263 1.2991 0.9996 -0.0654 0.0681 0.0459 154 GLU A C 1019 O O . GLU A 178 ? 1.1263 1.3212 1.0262 -0.0458 0.0771 0.0528 154 GLU A O 1020 C CB . GLU A 178 ? 1.1060 1.3462 0.9321 -0.1257 0.0359 0.0092 154 GLU A CB 1021 C CG . GLU A 178 ? 1.1058 1.4525 0.9409 -0.1046 0.0289 0.0141 154 GLU A CG 1022 C CD . GLU A 178 ? 1.1147 1.5326 0.9263 -0.1220 0.0115 -0.0039 154 GLU A CD 1023 O OE1 . GLU A 178 ? 1.1185 1.4970 0.9071 -0.1534 0.0068 -0.0217 154 GLU A OE1 1024 O OE2 . GLU A 178 ? 1.1216 1.6382 0.9392 -0.1038 0.0029 -0.0021 154 GLU A OE2 1025 N N . VAL A 179 ? 1.1626 1.3032 1.0254 -0.0432 0.0763 0.0639 155 VAL A N 1026 C CA . VAL A 179 ? 1.1964 1.3216 1.0799 0.0066 0.0996 0.0954 155 VAL A CA 1027 C C . VAL A 179 ? 1.2302 1.4400 1.1037 0.0446 0.0987 0.1184 155 VAL A C 1028 O O . VAL A 179 ? 1.2454 1.4993 1.0868 0.0388 0.0832 0.1146 155 VAL A O 1029 C CB . VAL A 179 ? 1.2208 1.2673 1.0999 0.0143 0.1135 0.1066 155 VAL A CB 1030 C CG1 . VAL A 179 ? 1.2487 1.2787 1.1509 0.0665 0.1430 0.1419 155 VAL A CG1 1031 C CG2 . VAL A 179 ? 1.2040 1.1738 1.0962 -0.0176 0.1144 0.0852 155 VAL A CG2 1032 N N . GLU A 180 ? 1.2390 1.4744 1.1397 0.0848 0.1159 0.1413 156 GLU A N 1033 C CA . GLU A 180 ? 1.2715 1.5836 1.1640 0.1328 0.1200 0.1716 156 GLU A CA 1034 C C . GLU A 180 ? 1.3169 1.5782 1.2070 0.1748 0.1465 0.2071 156 GLU A C 1035 O O . GLU A 180 ? 1.3466 1.6425 1.2041 0.1931 0.1413 0.2216 156 GLU A O 1036 C CB . GLU A 180 ? 1.2593 1.6235 1.1827 0.1626 0.1302 0.1848 156 GLU A CB 1037 C CG . GLU A 180 ? 1.2835 1.7279 1.2002 0.2214 0.1378 0.2227 156 GLU A CG 1038 C CD . GLU A 180 ? 1.2780 1.8347 1.1629 0.2110 0.1049 0.2087 156 GLU A CD 1039 O OE1 . GLU A 180 ? 1.3014 1.8874 1.1540 0.2315 0.1001 0.2229 156 GLU A OE1 1040 O OE2 . GLU A 180 ? 1.2557 1.8743 1.1496 0.1823 0.0850 0.1818 156 GLU A OE2 1041 N N . ASP A 181 ? 1.3310 1.5111 1.2568 0.1892 0.1768 0.2190 157 ASP A N 1042 C CA . ASP A 181 ? 1.3731 1.4937 1.3047 0.2261 0.2085 0.2521 157 ASP A CA 1043 C C . ASP A 181 ? 1.3814 1.4037 1.3597 0.2226 0.2386 0.2484 157 ASP A C 1044 O O . ASP A 181 ? 1.3545 1.3547 1.3547 0.1894 0.2310 0.2173 157 ASP A O 1045 C CB . ASP A 181 ? 1.4278 1.6056 1.3567 0.2909 0.2285 0.2985 157 ASP A CB 1046 C CG . ASP A 181 ? 1.4519 1.6404 1.4227 0.3199 0.2507 0.3122 157 ASP A CG 1047 O OD1 . ASP A 181 ? 1.4445 1.7112 1.4137 0.3141 0.2297 0.3001 157 ASP A OD1 1048 O OD2 . ASP A 181 ? 1.4846 1.6025 1.4927 0.3476 0.2914 0.3337 157 ASP A OD2 1049 N N . TYR A 182 ? 1.4230 1.3901 1.4176 0.2577 0.2744 0.2794 158 TYR A N 1050 C CA . TYR A 182 ? 1.4351 1.3087 1.4799 0.2536 0.3067 0.2731 158 TYR A CA 1051 C C . TYR A 182 ? 1.4695 1.3275 1.5567 0.3049 0.3521 0.3067 158 TYR A C 1052 O O . TYR A 182 ? 1.5013 1.4030 1.5738 0.3547 0.3669 0.3490 158 TYR A O 1053 C CB . TYR A 182 ? 1.4525 1.2587 1.4929 0.2450 0.3176 0.2762 158 TYR A CB 1054 C CG . TYR A 182 ? 1.4280 1.2345 1.4327 0.1944 0.2787 0.2423 158 TYR A CG 1055 C CD1 . TYR A 182 ? 1.4027 1.1539 1.4290 0.1519 0.2710 0.2060 158 TYR A CD1 1056 C CD2 . TYR A 182 ? 1.4327 1.2974 1.3831 0.1904 0.2511 0.2457 158 TYR A CD2 1057 C CE1 . TYR A 182 ? 1.3823 1.1311 1.3763 0.1099 0.2392 0.1794 158 TYR A CE1 1058 C CE2 . TYR A 182 ? 1.4136 1.2722 1.3343 0.1445 0.2206 0.2148 158 TYR A CE2 1059 C CZ . TYR A 182 ? 1.3915 1.1896 1.3338 0.1059 0.2160 0.1844 158 TYR A CZ 1060 O OH . TYR A 182 ? 1.3818 1.1712 1.2947 0.0645 0.1893 0.1581 158 TYR A OH 1061 N N . ASN A 190 ? 1.1516 0.7637 1.4257 0.1520 0.3736 0.1216 166 ASN A N 1062 C CA . ASN A 190 ? 1.1437 0.8261 1.3903 0.1588 0.3534 0.1263 166 ASN A CA 1063 C C . ASN A 190 ? 1.1483 0.8907 1.3343 0.1631 0.3232 0.1513 166 ASN A C 1064 O O . ASN A 190 ? 1.1711 0.9133 1.3431 0.1927 0.3366 0.1877 166 ASN A O 1065 C CB . ASN A 190 ? 1.1687 0.8532 1.4533 0.2018 0.3930 0.1488 166 ASN A CB 1066 C CG . ASN A 190 ? 1.1687 0.8049 1.5130 0.1918 0.4198 0.1137 166 ASN A CG 1067 O OD1 . ASN A 190 ? 1.1526 0.8172 1.5026 0.1807 0.4099 0.0884 166 ASN A OD1 1068 N ND2 . ASN A 190 ? 1.1882 0.7528 1.5788 0.1943 0.4550 0.1094 166 ASN A ND2 1069 N N . ILE A 191 ? 1.1353 0.9306 1.2865 0.1333 0.2842 0.1300 167 ILE A N 1070 C CA . ILE A 191 ? 1.1462 1.0002 1.2439 0.1280 0.2537 0.1429 167 ILE A CA 1071 C C . ILE A 191 ? 1.1571 1.0938 1.2380 0.1293 0.2345 0.1418 167 ILE A C 1072 O O . ILE A 191 ? 1.1357 1.0871 1.2175 0.0995 0.2178 0.1123 167 ILE A O 1073 C CB . ILE A 191 ? 1.1245 0.9601 1.1909 0.0825 0.2235 0.1170 167 ILE A CB 1074 C CG1 . ILE A 191 ? 1.1359 0.8981 1.2175 0.0826 0.2409 0.1199 167 ILE A CG1 1075 C CG2 . ILE A 191 ? 1.1216 1.0173 1.1369 0.0740 0.1952 0.1246 167 ILE A CG2 1076 C CD1 . ILE A 191 ? 1.1173 0.8613 1.1671 0.0452 0.2145 0.1013 167 ILE A CD1 1077 N N . TRP A 192 ? 1.1941 1.1886 1.2598 0.1656 0.2377 0.1748 168 TRP A N 1078 C CA . TRP A 192 ? 1.2047 1.2919 1.2535 0.1681 0.2170 0.1753 168 TRP A CA 1079 C C . TRP A 192 ? 1.2030 1.3277 1.2112 0.1214 0.1772 0.1488 168 TRP A C 1080 O O . TRP A 192 ? 1.2067 1.3512 1.1816 0.1195 0.1638 0.1564 168 TRP A O 1081 C CB . TRP A 192 ? 1.2279 1.3746 1.2683 0.2219 0.2289 0.2179 168 TRP A CB 1082 C CG . TRP A 192 ? 1.2379 1.3999 1.3158 0.2668 0.2591 0.2409 168 TRP A CG 1083 C CD1 . TRP A 192 ? 1.2355 1.3416 1.3578 0.2678 0.2854 0.2297 168 TRP A CD1 1084 C CD2 . TRP A 192 ? 1.2578 1.4992 1.3322 0.3186 0.2670 0.2780 168 TRP A CD2 1085 N NE1 . TRP A 192 ? 1.2618 1.4001 1.4099 0.3165 0.3121 0.2582 168 TRP A NE1 1086 C CE2 . TRP A 192 ? 1.2763 1.4989 1.3953 0.3502 0.3010 0.2905 168 TRP A CE2 1087 C CE3 . TRP A 192 ? 1.2661 1.5970 1.3043 0.3427 0.2486 0.3004 168 TRP A CE3 1088 C CZ2 . TRP A 192 ? 1.3087 1.5959 1.4373 0.4074 0.3186 0.3291 168 TRP A CZ2 1089 C CZ3 . TRP A 192 ? 1.2971 1.7000 1.3435 0.3996 0.2629 0.3371 168 TRP A CZ3 1090 C CH2 . TRP A 192 ? 1.3186 1.6979 1.4098 0.4327 0.2983 0.3534 168 TRP A CH2 1091 N N . LEU A 193 ? 1.2088 1.3419 1.2205 0.0848 0.1617 0.1176 169 LEU A N 1092 C CA . LEU A 193 ? 1.2215 1.3851 1.2005 0.0388 0.1301 0.0920 169 LEU A CA 1093 C C . LEU A 193 ? 1.2494 1.5121 1.2224 0.0375 0.1144 0.0892 169 LEU A C 1094 O O . LEU A 193 ? 1.2561 1.5625 1.2518 0.0709 0.1266 0.1049 169 LEU A O 1095 C CB . LEU A 193 ? 1.2081 1.3192 1.1916 -0.0009 0.1245 0.0613 169 LEU A CB 1096 C CG . LEU A 193 ? 1.2141 1.2357 1.2065 -0.0069 0.1355 0.0557 169 LEU A CG 1097 C CD1 . LEU A 193 ? 1.1994 1.1897 1.1955 -0.0404 0.1280 0.0256 169 LEU A CD1 1098 C CD2 . LEU A 193 ? 1.2206 1.2200 1.1832 -0.0174 0.1259 0.0613 169 LEU A CD2 1099 N N . LYS A 194 ? 1.2699 1.5679 1.2159 -0.0016 0.0895 0.0681 170 LYS A N 1100 C CA . LYS A 194 ? 1.2985 1.6941 1.2433 -0.0105 0.0741 0.0590 170 LYS A CA 1101 C C . LYS A 194 ? 1.3143 1.7194 1.2389 -0.0666 0.0540 0.0269 170 LYS A C 1102 O O . LYS A 194 ? 1.3145 1.6502 1.2221 -0.0951 0.0516 0.0149 170 LYS A O 1103 C CB . LYS A 194 ? 1.3176 1.7926 1.2530 0.0249 0.0692 0.0803 170 LYS A CB 1104 C CG . LYS A 194 ? 1.3254 1.7994 1.2253 0.0104 0.0551 0.0749 170 LYS A CG 1105 C CD . LYS A 194 ? 1.3472 1.9280 1.2343 0.0379 0.0432 0.0858 170 LYS A CD 1106 C CE . LYS A 194 ? 1.3414 2.0240 1.2402 0.0160 0.0253 0.0626 170 LYS A CE 1107 N NZ . LYS A 194 ? 1.3648 2.1654 1.2532 0.0430 0.0107 0.0689 170 LYS A NZ 1108 N N . LEU A 195 ? 1.3365 1.8288 1.2662 -0.0812 0.0420 0.0138 171 LEU A N 1109 C CA . LEU A 195 ? 1.3576 1.8654 1.2742 -0.1348 0.0280 -0.0169 171 LEU A CA 1110 C C . LEU A 195 ? 1.3948 1.9055 1.2828 -0.1516 0.0156 -0.0262 171 LEU A C 1111 O O . LEU A 195 ? 1.4101 1.9472 1.2884 -0.1187 0.0133 -0.0095 171 LEU A O 1112 C CB . LEU A 195 ? 1.3629 1.9703 1.2998 -0.1453 0.0213 -0.0298 171 LEU A CB 1113 C CG . LEU A 195 ? 1.3628 1.9684 1.3237 -0.1498 0.0321 -0.0331 171 LEU A CG 1114 C CD1 . LEU A 195 ? 1.3618 1.8803 1.3097 -0.1868 0.0377 -0.0474 171 LEU A CD1 1115 C CD2 . LEU A 195 ? 1.3692 1.9681 1.3517 -0.0984 0.0475 -0.0072 171 LEU A CD2 1116 N N . LYS A 196 ? 1.4181 1.9013 1.2921 -0.2011 0.0102 -0.0522 172 LYS A N 1117 C CA . LYS A 196 ? 1.4567 1.9303 1.3039 -0.2216 0.0016 -0.0656 172 LYS A CA 1118 C C . LYS A 196 ? 1.4911 2.0644 1.3396 -0.2451 -0.0126 -0.0920 172 LYS A C 1119 O O . LYS A 196 ? 1.4875 2.1394 1.3601 -0.2498 -0.0162 -0.1010 172 LYS A O 1120 C CB . LYS A 196 ? 1.4579 1.8366 1.2892 -0.2605 0.0076 -0.0786 172 LYS A CB 1121 C CG . LYS A 196 ? 1.4513 1.7338 1.2763 -0.2394 0.0179 -0.0580 172 LYS A CG 1122 C CD . LYS A 196 ? 1.4577 1.6586 1.2634 -0.2744 0.0215 -0.0701 172 LYS A CD 1123 C CE . LYS A 196 ? 1.4528 1.5683 1.2574 -0.2546 0.0301 -0.0531 172 LYS A CE 1124 N NZ . LYS A 196 ? 1.4622 1.5640 1.2615 -0.2212 0.0319 -0.0353 172 LYS A NZ 1125 N N . GLU A 197 ? 1.5236 2.0953 1.3478 -0.2604 -0.0199 -0.1069 173 GLU A N 1126 C CA . GLU A 197 ? 1.5534 2.2130 1.3784 -0.2910 -0.0329 -0.1415 173 GLU A CA 1127 C C . GLU A 197 ? 1.5513 2.1932 1.3915 -0.3490 -0.0259 -0.1721 173 GLU A C 1128 O O . GLU A 197 ? 1.5547 2.2744 1.4225 -0.3658 -0.0287 -0.1890 173 GLU A O 1129 C CB . GLU A 197 ? 1.5858 2.2313 1.3784 -0.2952 -0.0390 -0.1525 173 GLU A CB 1130 C CG . GLU A 197 ? 1.5965 2.2048 1.3670 -0.2422 -0.0361 -0.1155 173 GLU A CG 1131 C CD . GLU A 197 ? 1.6153 2.3304 1.3817 -0.1958 -0.0478 -0.1016 173 GLU A CD 1132 O OE1 . GLU A 197 ? 1.6213 2.4462 1.4047 -0.2026 -0.0608 -0.1209 173 GLU A OE1 1133 O OE2 . GLU A 197 ? 1.6277 2.3197 1.3747 -0.1509 -0.0426 -0.0704 173 GLU A OE2 1134 N N . LYS A 198 ? 1.5513 2.0906 1.3745 -0.3775 -0.0144 -0.1770 174 LYS A N 1135 C CA . LYS A 198 ? 1.5506 2.0569 1.3840 -0.4299 -0.0016 -0.2005 174 LYS A CA 1136 C C . LYS A 198 ? 1.5162 1.9004 1.3340 -0.4339 0.0139 -0.1822 174 LYS A C 1137 O O . LYS A 198 ? 1.5022 1.8338 1.3067 -0.3983 0.0132 -0.1550 174 LYS A O 1138 C CB . LYS A 198 ? 1.6110 2.1434 1.4407 -0.4744 -0.0027 -0.2410 174 LYS A CB 1139 C CG . LYS A 198 ? 1.6493 2.2141 1.5084 -0.5262 0.0086 -0.2728 174 LYS A CG 1140 C CD . LYS A 198 ? 1.7055 2.2857 1.5675 -0.5503 0.0156 -0.3058 174 LYS A CD 1141 C CE . LYS A 198 ? 1.7375 2.3293 1.6306 -0.5811 0.0367 -0.3256 174 LYS A CE 1142 N NZ . LYS A 198 ? 1.7840 2.3952 1.6848 -0.6034 0.0452 -0.3606 174 LYS A NZ 1143 N N . GLN A 199 ? 1.4962 1.8388 1.3174 -0.4762 0.0294 -0.1970 175 GLN A N 1144 C CA . GLN A 199 ? 1.4640 1.7019 1.2699 -0.4785 0.0441 -0.1791 175 GLN A CA 1145 C C . GLN A 199 ? 1.4442 1.6025 1.2237 -0.4925 0.0508 -0.1831 175 GLN A C 1146 O O . GLN A 199 ? 1.4765 1.5801 1.2509 -0.5182 0.0690 -0.1891 175 GLN A O 1147 C CB . GLN A 199 ? 1.4776 1.7070 1.2977 -0.5089 0.0616 -0.1844 175 GLN A CB 1148 C CG . GLN A 199 ? 1.5153 1.7774 1.3505 -0.5493 0.0735 -0.2143 175 GLN A CG 1149 C CD . GLN A 199 ? 1.5439 1.7618 1.3831 -0.5620 0.0985 -0.2080 175 GLN A CD 1150 O OE1 . GLN A 199 ? 1.5330 1.7343 1.3716 -0.5536 0.1027 -0.1891 175 GLN A OE1 1151 N NE2 . GLN A 199 ? 1.5873 1.7874 1.4305 -0.5821 0.1164 -0.2246 175 GLN A NE2 1152 N N . ASP A 200 ? 1.3891 1.5381 1.1524 -0.4644 0.0395 -0.1741 176 ASP A N 1153 C CA . ASP A 200 ? 1.3565 1.4274 1.0949 -0.4713 0.0461 -0.1744 176 ASP A CA 1154 C C . ASP A 200 ? 1.3040 1.2865 1.0329 -0.4547 0.0546 -0.1477 176 ASP A C 1155 O O . ASP A 200 ? 1.2821 1.2689 1.0209 -0.4265 0.0502 -0.1281 176 ASP A O 1156 C CB . ASP A 200 ? 1.3547 1.4497 1.0787 -0.4450 0.0330 -0.1727 176 ASP A CB 1157 C CG . ASP A 200 ? 1.3310 1.4416 1.0601 -0.3947 0.0238 -0.1425 176 ASP A CG 1158 O OD1 . ASP A 200 ? 1.3158 1.4541 1.0649 -0.3826 0.0228 -0.1319 176 ASP A OD1 1159 O OD2 . ASP A 200 ? 1.3351 1.4285 1.0494 -0.3671 0.0204 -0.1295 176 ASP A OD2 1160 N N . VAL A 201 ? 1.2798 1.1870 0.9924 -0.4660 0.0676 -0.1468 177 VAL A N 1161 C CA . VAL A 201 ? 1.2278 1.0622 0.9329 -0.4414 0.0740 -0.1212 177 VAL A CA 1162 C C . VAL A 201 ? 1.1825 0.9775 0.8753 -0.4201 0.0670 -0.1096 177 VAL A C 1163 O O . VAL A 201 ? 1.1791 0.9171 0.8671 -0.3970 0.0723 -0.0932 177 VAL A O 1164 C CB . VAL A 201 ? 1.2494 1.0355 0.9493 -0.4404 0.0917 -0.1172 177 VAL A CB 1165 C CG1 . VAL A 201 ? 1.2627 1.0716 0.9737 -0.4578 0.1025 -0.1219 177 VAL A CG1 1166 C CG2 . VAL A 201 ? 1.2768 1.0544 0.9698 -0.4511 0.0985 -0.1329 177 VAL A CG2 1167 N N . PHE A 202 ? 1.1402 0.9826 0.8352 -0.4045 0.0549 -0.1117 178 PHE A N 1168 C CA . PHE A 202 ? 1.1007 0.9144 0.7891 -0.3723 0.0514 -0.0956 178 PHE A CA 1169 C C . PHE A 202 ? 1.0573 0.8821 0.7656 -0.3361 0.0466 -0.0749 178 PHE A C 1170 O O . PHE A 202 ? 1.0397 0.9162 0.7645 -0.3316 0.0425 -0.0751 178 PHE A O 1171 C CB . PHE A 202 ? 1.1013 0.9604 0.7783 -0.3670 0.0448 -0.1056 178 PHE A CB 1172 C CG . PHE A 202 ? 1.1282 0.9811 0.7880 -0.4040 0.0502 -0.1329 178 PHE A CG 1173 C CD1 . PHE A 202 ? 1.1453 0.9176 0.7897 -0.4179 0.0631 -0.1340 178 PHE A CD1 1174 C CD2 . PHE A 202 ? 1.1389 1.0691 0.8004 -0.4243 0.0436 -0.1597 178 PHE A CD2 1175 C CE1 . PHE A 202 ? 1.1738 0.9425 0.8104 -0.4401 0.0727 -0.1557 178 PHE A CE1 1176 C CE2 . PHE A 202 ? 1.1716 1.0963 0.8217 -0.4615 0.0508 -0.1909 178 PHE A CE2 1177 C CZ . PHE A 202 ? 1.1896 1.0306 0.8294 -0.4651 0.0675 -0.1860 178 PHE A CZ 1178 N N . CYS A 203 ? 1.0450 0.8207 0.7550 -0.3114 0.0496 -0.0589 179 CYS A N 1179 C CA . CYS A 203 ? 1.0249 0.8057 0.7587 -0.2774 0.0495 -0.0424 179 CYS A CA 1180 C C . CYS A 203 ? 1.0341 0.8699 0.7720 -0.2515 0.0469 -0.0339 179 CYS A C 1181 O O . CYS A 203 ? 1.0577 0.9225 0.7764 -0.2580 0.0432 -0.0411 179 CYS A O 1182 C CB . CYS A 203 ? 1.0161 0.7290 0.7555 -0.2624 0.0559 -0.0315 179 CYS A CB 1183 S SG . CYS A 203 ? 2.4312 2.0795 2.1540 -0.2891 0.0594 -0.0382 179 CYS A SG 1184 N N . ASP A 204 ? 1.0275 0.8798 0.7902 -0.2206 0.0504 -0.0192 180 ASP A N 1185 C CA . ASP A 204 ? 1.0450 0.9511 0.8119 -0.1893 0.0514 -0.0051 180 ASP A CA 1186 C C . ASP A 204 ? 1.0634 0.9421 0.8181 -0.1670 0.0589 0.0099 180 ASP A C 1187 O O . ASP A 204 ? 1.0442 0.8606 0.8104 -0.1557 0.0699 0.0200 180 ASP A O 1188 C CB . ASP A 204 ? 1.0455 0.9683 0.8449 -0.1604 0.0589 0.0084 180 ASP A CB 1189 C CG . ASP A 204 ? 1.0698 1.0647 0.8729 -0.1293 0.0594 0.0234 180 ASP A CG 1190 O OD1 . ASP A 204 ? 1.0970 1.1265 0.8767 -0.1238 0.0541 0.0260 180 ASP A OD1 1191 O OD2 . ASP A 204 ? 1.0670 1.0870 0.8958 -0.1084 0.0658 0.0323 180 ASP A OD2 1192 N N . SER A 205 ? 0.8383 0.8320 0.9677 -0.1636 -0.2069 0.1183 181 SER A N 1193 C CA . SER A 205 ? 0.8587 0.8302 0.9687 -0.1597 -0.2116 0.1217 181 SER A CA 1194 C C . SER A 205 ? 0.8553 0.8244 0.9866 -0.1304 -0.2063 0.1323 181 SER A C 1195 O O . SER A 205 ? 0.8520 0.7855 0.9694 -0.1233 -0.2027 0.1324 181 SER A O 1196 C CB . SER A 205 ? 0.8718 0.8790 0.9693 -0.1780 -0.2241 0.1240 181 SER A CB 1197 O OG . SER A 205 ? 0.8621 0.9350 0.9899 -0.1702 -0.2302 0.1338 181 SER A OG 1198 N N . LYS A 206 ? 0.8679 0.8725 1.0331 -0.1135 -0.2029 0.1412 182 LYS A N 1199 C CA . LYS A 206 ? 0.8868 0.8841 1.0731 -0.0851 -0.1926 0.1528 182 LYS A CA 1200 C C . LYS A 206 ? 0.8762 0.8286 1.0722 -0.0770 -0.1775 0.1396 182 LYS A C 1201 O O . LYS A 206 ? 0.8718 0.8032 1.0823 -0.0591 -0.1642 0.1443 182 LYS A O 1202 C CB . LYS A 206 ? 0.9095 0.9560 1.1284 -0.0668 -0.1909 0.1663 182 LYS A CB 1203 C CG . LYS A 206 ? 0.9458 1.0524 1.1604 -0.0719 -0.2071 0.1779 182 LYS A CG 1204 C CD . LYS A 206 ? 0.9737 1.1283 1.2193 -0.0420 -0.2039 0.1971 182 LYS A CD 1205 C CE . LYS A 206 ? 1.0027 1.1263 1.2500 -0.0092 -0.1901 0.2164 182 LYS A CE 1206 N NZ . LYS A 206 ? 1.0176 1.1834 1.2903 0.0261 -0.1846 0.2395 182 LYS A NZ 1207 N N . LEU A 207 ? 0.8739 0.8135 1.0612 -0.0903 -0.1782 0.1225 183 LEU A N 1208 C CA . LEU A 207 ? 0.8697 0.7801 1.0654 -0.0835 -0.1670 0.1056 183 LEU A CA 1209 C C . LEU A 207 ? 0.8667 0.7402 1.0348 -0.0904 -0.1684 0.0973 183 LEU A C 1210 O O . LEU A 207 ? 0.8631 0.7152 1.0414 -0.0822 -0.1584 0.0866 183 LEU A O 1211 C CB . LEU A 207 ? 0.8603 0.7846 1.0602 -0.0877 -0.1664 0.0930 183 LEU A CB 1212 C CG . LEU A 207 ? 0.8442 0.8069 1.0731 -0.0803 -0.1628 0.0981 183 LEU A CG 1213 C CD1 . LEU A 207 ? 0.8341 0.8092 1.0593 -0.0863 -0.1616 0.0865 183 LEU A CD1 1214 C CD2 . LEU A 207 ? 0.8375 0.7961 1.1003 -0.0595 -0.1480 0.0967 183 LEU A CD2 1215 N N . MET A 208 ? 0.8654 0.7328 1.0000 -0.1063 -0.1792 0.1003 184 MET A N 1216 C CA . MET A 208 ? 0.8594 0.6913 0.9645 -0.1114 -0.1801 0.0933 184 MET A CA 1217 C C . MET A 208 ? 0.8489 0.6655 0.9570 -0.1029 -0.1747 0.0989 184 MET A C 1218 O O . MET A 208 ? 0.8537 0.6854 0.9769 -0.0949 -0.1725 0.1132 184 MET A O 1219 C CB . MET A 208 ? 0.8835 0.7080 0.9519 -0.1314 -0.1893 0.0959 184 MET A CB 1220 C CG . MET A 208 ? 0.8891 0.7279 0.9532 -0.1440 -0.1910 0.0943 184 MET A CG 1221 S SD . MET A 208 ? 1.6563 1.4747 1.7115 -0.1351 -0.1833 0.0824 184 MET A SD 1222 C CE . MET A 208 ? 1.6784 1.5380 1.7776 -0.1221 -0.1792 0.0808 184 MET A CE 1223 N N . SER A 209 ? 0.8373 0.6248 0.9302 -0.1023 -0.1710 0.0889 185 SER A N 1224 C CA . SER A 209 ? 0.8296 0.5994 0.9205 -0.0969 -0.1637 0.0938 185 SER A CA 1225 C C . SER A 209 ? 0.8218 0.5643 0.8860 -0.1005 -0.1636 0.0823 185 SER A C 1226 O O . SER A 209 ? 0.8152 0.5523 0.8698 -0.1012 -0.1663 0.0698 185 SER A O 1227 C CB . SER A 209 ? 0.8245 0.5932 0.9539 -0.0837 -0.1469 0.0906 185 SER A CB 1228 O OG . SER A 209 ? 0.8123 0.5864 0.9624 -0.0815 -0.1425 0.0695 185 SER A OG 1229 N N . ALA A 210 ? 0.8259 0.5520 0.8758 -0.1000 -0.1595 0.0880 186 ALA A N 1230 C CA . ALA A 210 ? 0.8290 0.5301 0.8536 -0.1014 -0.1580 0.0776 186 ALA A CA 1231 C C . ALA A 210 ? 0.8334 0.5218 0.8586 -0.0967 -0.1464 0.0829 186 ALA A C 1232 O O . ALA A 210 ? 0.8362 0.5311 0.8675 -0.0935 -0.1425 0.0995 186 ALA A O 1233 C CB . ALA A 210 ? 0.8491 0.5377 0.8316 -0.1142 -0.1693 0.0794 186 ALA A CB 1234 N N . ALA A 211 ? 0.8384 0.5100 0.8558 -0.0939 -0.1396 0.0703 187 ALA A N 1235 C CA . ALA A 211 ? 0.8546 0.5127 0.8700 -0.0908 -0.1260 0.0744 187 ALA A CA 1236 C C . ALA A 211 ? 0.8671 0.5101 0.8649 -0.0889 -0.1225 0.0597 187 ALA A C 1237 O O . ALA A 211 ? 0.8478 0.4950 0.8479 -0.0847 -0.1267 0.0441 187 ALA A O 1238 C CB . ALA A 211 ? 0.8439 0.5070 0.9029 -0.0851 -0.1072 0.0736 187 ALA A CB 1239 N N . ILE A 212 ? 0.9044 0.5321 0.8831 -0.0889 -0.1140 0.0658 188 ILE A N 1240 C CA . ILE A 212 ? 0.9332 0.5484 0.8976 -0.0848 -0.1077 0.0522 188 ILE A CA 1241 C C . ILE A 212 ? 0.9690 0.5752 0.9339 -0.0835 -0.0893 0.0582 188 ILE A C 1242 O O . ILE A 212 ? 0.9872 0.5858 0.9306 -0.0857 -0.0882 0.0769 188 ILE A O 1243 C CB . ILE A 212 ? 0.7698 0.3650 0.6860 -0.0879 -0.1204 0.0503 188 ILE A CB 1244 C CG1 . ILE A 212 ? 0.7859 0.3674 0.6878 -0.0787 -0.1120 0.0367 188 ILE A CG1 1245 C CG2 . ILE A 212 ? 0.7920 0.3784 0.6734 -0.0986 -0.1272 0.0652 188 ILE A CG2 1246 C CD1 . ILE A 212 ? 0.8144 0.3678 0.6706 -0.0788 -0.1196 0.0328 188 ILE A CD1 1247 N N . LYS A 213 ? 0.9868 0.5985 0.9769 -0.0791 -0.0740 0.0421 189 LYS A N 1248 C CA . LYS A 213 ? 1.0315 0.6341 1.0245 -0.0790 -0.0521 0.0457 189 LYS A CA 1249 C C . LYS A 213 ? 1.0536 0.6720 1.0736 -0.0753 -0.0402 0.0203 189 LYS A C 1250 O O . LYS A 213 ? 1.0347 0.6781 1.0863 -0.0730 -0.0448 0.0013 189 LYS A O 1251 C CB . LYS A 213 ? 1.0246 0.6242 1.0451 -0.0816 -0.0343 0.0610 189 LYS A CB 1252 C CG . LYS A 213 ? 1.0452 0.6283 1.0622 -0.0812 -0.0074 0.0713 189 LYS A CG 1253 C CD . LYS A 213 ? 1.0527 0.6227 1.0860 -0.0795 0.0116 0.0941 189 LYS A CD 1254 C CE . LYS A 213 ? 1.0812 0.6308 1.1156 -0.0791 0.0452 0.1040 189 LYS A CE 1255 N NZ . LYS A 213 ? 1.1049 0.6471 1.0881 -0.0747 0.0412 0.1139 189 LYS A NZ 1256 N N . ASP A 214 ? 1.1032 0.7128 1.1101 -0.0736 -0.0254 0.0191 190 ASP A N 1257 C CA . ASP A 214 ? 1.1248 0.7569 1.1598 -0.0696 -0.0121 -0.0053 190 ASP A CA 1258 C C . ASP A 214 ? 1.1307 0.7846 1.1647 -0.0573 -0.0305 -0.0245 190 ASP A C 1259 O O . ASP A 214 ? 1.1033 0.7956 1.1791 -0.0538 -0.0271 -0.0477 190 ASP A O 1260 C CB . ASP A 214 ? 1.1245 0.7760 1.2185 -0.0796 0.0114 -0.0174 190 ASP A CB 1261 C CG . ASP A 214 ? 1.1634 0.7857 1.2555 -0.0877 0.0349 0.0058 190 ASP A CG 1262 O OD1 . ASP A 214 ? 1.1972 0.7951 1.2448 -0.0839 0.0365 0.0263 190 ASP A OD1 1263 O OD2 . ASP A 214 ? 1.1665 0.7894 1.2999 -0.0968 0.0534 0.0034 190 ASP A OD2 1264 N N . ASN A 215 ? 1.1742 0.8043 1.1595 -0.0506 -0.0484 -0.0148 191 ASN A N 1265 C CA . ASN A 215 ? 1.1966 0.8341 1.1681 -0.0349 -0.0628 -0.0261 191 ASN A CA 1266 C C . ASN A 215 ? 1.1829 0.8514 1.1854 -0.0312 -0.0742 -0.0359 191 ASN A C 1267 O O . ASN A 215 ? 1.1717 0.8681 1.1831 -0.0140 -0.0791 -0.0516 191 ASN A O 1268 C CB . ASN A 215 ? 1.2082 0.8603 1.1800 -0.0185 -0.0531 -0.0422 191 ASN A CB 1269 C CG . ASN A 215 ? 1.2327 0.8505 1.1649 -0.0198 -0.0428 -0.0333 191 ASN A CG 1270 O OD1 . ASN A 215 ? 1.2473 0.8272 1.1375 -0.0286 -0.0491 -0.0172 191 ASN A OD1 1271 N ND2 . ASN A 215 ? 1.2362 0.8724 1.1826 -0.0116 -0.0265 -0.0462 191 ASN A ND2 1272 N N . ARG A 216 ? 1.1861 0.8526 1.2033 -0.0447 -0.0780 -0.0261 192 ARG A N 1273 C CA . ARG A 216 ? 1.1790 0.8712 1.2203 -0.0426 -0.0888 -0.0339 192 ARG A CA 1274 C C . ARG A 216 ? 1.1533 0.8226 1.1741 -0.0522 -0.1006 -0.0137 192 ARG A C 1275 O O . ARG A 216 ? 1.1498 0.8089 1.1782 -0.0643 -0.0952 -0.0003 192 ARG A O 1276 C CB . ARG A 216 ? 1.1990 0.9274 1.2996 -0.0503 -0.0755 -0.0522 192 ARG A CB 1277 C CG . ARG A 216 ? 1.2332 0.9996 1.3641 -0.0436 -0.0642 -0.0786 192 ARG A CG 1278 C CD . ARG A 216 ? 1.2485 1.0488 1.4408 -0.0578 -0.0478 -0.1011 192 ARG A CD 1279 N NE . ARG A 216 ? 1.2766 1.1155 1.5017 -0.0573 -0.0329 -0.1275 192 ARG A NE 1280 C CZ . ARG A 216 ? 1.2893 1.1629 1.5720 -0.0728 -0.0142 -0.1549 192 ARG A CZ 1281 N NH1 . ARG A 216 ? 1.2900 1.1581 1.6012 -0.0883 -0.0070 -0.1585 192 ARG A NH1 1282 N NH2 . ARG A 216 ? 1.2978 1.2124 1.6110 -0.0738 -0.0008 -0.1805 192 ARG A NH2 1283 N N . ALA A 217 ? 1.1367 0.7994 1.1311 -0.0452 -0.1151 -0.0107 193 ALA A N 1284 C CA . ALA A 217 ? 1.1137 0.7603 1.0905 -0.0560 -0.1258 0.0058 193 ALA A CA 1285 C C . ALA A 217 ? 1.0613 0.7366 1.0668 -0.0536 -0.1319 -0.0005 193 ALA A C 1286 O O . ALA A 217 ? 1.0531 0.7533 1.0701 -0.0395 -0.1338 -0.0159 193 ALA A O 1287 C CB . ALA A 217 ? 1.1483 0.7600 1.0731 -0.0551 -0.1331 0.0140 193 ALA A CB 1288 N N . VAL A 218 ? 1.0247 0.7010 1.0409 -0.0654 -0.1349 0.0111 194 VAL A N 1289 C CA . VAL A 218 ? 0.9794 0.6816 1.0226 -0.0643 -0.1390 0.0057 194 VAL A CA 1290 C C . VAL A 218 ? 0.9513 0.6444 0.9778 -0.0740 -0.1485 0.0233 194 VAL A C 1291 O O . VAL A 218 ? 0.9588 0.6422 0.9803 -0.0841 -0.1484 0.0383 194 VAL A O 1292 C CB . VAL A 218 ? 0.9703 0.6932 1.0635 -0.0680 -0.1263 -0.0039 194 VAL A CB 1293 C CG1 . VAL A 218 ? 0.9575 0.7029 1.0753 -0.0682 -0.1297 -0.0088 194 VAL A CG1 1294 C CG2 . VAL A 218 ? 0.9712 0.7140 1.0899 -0.0623 -0.1157 -0.0278 194 VAL A CG2 1295 N N . HIS A 219 ? 0.9197 0.6202 0.9369 -0.0697 -0.1559 0.0214 195 HIS A N 1296 C CA . HIS A 219 ? 0.8887 0.5916 0.9016 -0.0798 -0.1624 0.0339 195 HIS A CA 1297 C C . HIS A 219 ? 0.8469 0.5829 0.8972 -0.0744 -0.1611 0.0247 195 HIS A C 1298 O O . HIS A 219 ? 0.8402 0.5934 0.8953 -0.0622 -0.1615 0.0105 195 HIS A O 1299 C CB . HIS A 219 ? 0.9029 0.5829 0.8734 -0.0818 -0.1673 0.0400 195 HIS A CB 1300 C CG . HIS A 219 ? 0.9232 0.5670 0.8559 -0.0911 -0.1668 0.0465 195 HIS A CG 1301 N ND1 . HIS A 219 ? 0.9345 0.5599 0.8523 -0.0814 -0.1617 0.0400 195 HIS A ND1 1302 C CD2 . HIS A 219 ? 0.9429 0.5691 0.8507 -0.1104 -0.1699 0.0557 195 HIS A CD2 1303 C CE1 . HIS A 219 ? 0.9639 0.5569 0.8466 -0.0934 -0.1611 0.0456 195 HIS A CE1 1304 N NE2 . HIS A 219 ? 0.9690 0.5629 0.8453 -0.1124 -0.1663 0.0538 195 HIS A NE2 1305 N N . ALA A 220 ? 0.8251 0.5722 0.9007 -0.0812 -0.1589 0.0325 196 ALA A N 1306 C CA . ALA A 220 ? 0.8007 0.5747 0.9158 -0.0763 -0.1533 0.0214 196 ALA A CA 1307 C C . ALA A 220 ? 0.7922 0.5803 0.9142 -0.0805 -0.1573 0.0330 196 ALA A C 1308 O O . ALA A 220 ? 0.8042 0.5868 0.9105 -0.0893 -0.1630 0.0511 196 ALA A O 1309 C CB . ALA A 220 ? 0.7945 0.5673 0.9441 -0.0758 -0.1390 0.0155 196 ALA A CB 1310 N N . ASP A 221 ? 0.7766 0.5885 0.9242 -0.0744 -0.1537 0.0197 197 ASP A N 1311 C CA . ASP A 221 ? 0.7737 0.6041 0.9308 -0.0760 -0.1555 0.0273 197 ASP A CA 1312 C C . ASP A 221 ? 0.7608 0.6106 0.9589 -0.0686 -0.1443 0.0091 197 ASP A C 1313 O O . ASP A 221 ? 0.7648 0.6121 0.9833 -0.0661 -0.1349 -0.0087 197 ASP A O 1314 C CB . ASP A 221 ? 0.7928 0.6283 0.9205 -0.0762 -0.1634 0.0277 197 ASP A CB 1315 C CG . ASP A 221 ? 0.8071 0.6572 0.9351 -0.0837 -0.1659 0.0415 197 ASP A CG 1316 O OD1 . ASP A 221 ? 0.8089 0.6737 0.9648 -0.0843 -0.1627 0.0480 197 ASP A OD1 1317 O OD2 . ASP A 221 ? 0.8190 0.6658 0.9193 -0.0881 -0.1690 0.0464 197 ASP A OD2 1318 N N . MET A 222 ? 0.7518 0.6219 0.9636 -0.0667 -0.1433 0.0112 198 MET A N 1319 C CA . MET A 222 ? 0.7416 0.6288 0.9904 -0.0602 -0.1310 -0.0091 198 MET A CA 1320 C C . MET A 222 ? 0.7267 0.6370 0.9706 -0.0550 -0.1342 -0.0352 198 MET A C 1321 O O . MET A 222 ? 0.7182 0.6464 0.9911 -0.0516 -0.1245 -0.0614 198 MET A O 1322 C CB . MET A 222 ? 0.7450 0.6480 1.0092 -0.0574 -0.1279 0.0029 198 MET A CB 1323 C CG . MET A 222 ? 0.7523 0.6438 1.0275 -0.0557 -0.1233 0.0271 198 MET A CG 1324 S SD . MET A 222 ? 1.0066 0.8714 1.3175 -0.0484 -0.0994 0.0192 198 MET A SD 1325 C CE . MET A 222 ? 1.0600 0.9420 1.4043 -0.0445 -0.0852 -0.0148 198 MET A CE 1326 N N . GLY A 223 ? 0.7297 0.6400 0.9352 -0.0534 -0.1464 -0.0284 199 GLY A N 1327 C CA . GLY A 223 ? 0.7278 0.6633 0.9202 -0.0425 -0.1507 -0.0475 199 GLY A CA 1328 C C . GLY A 223 ? 0.7277 0.6531 0.8897 -0.0362 -0.1580 -0.0482 199 GLY A C 1329 O O . GLY A 223 ? 0.7303 0.6819 0.8826 -0.0222 -0.1618 -0.0654 199 GLY A O 1330 N N . TYR A 224 ? 0.7236 0.6145 0.8692 -0.0440 -0.1600 -0.0297 200 TYR A N 1331 C CA . TYR A 224 ? 0.7293 0.6061 0.8461 -0.0367 -0.1646 -0.0297 200 TYR A CA 1332 C C . TYR A 224 ? 0.7028 0.5720 0.8425 -0.0414 -0.1591 -0.0397 200 TYR A C 1333 O O . TYR A 224 ? 0.6848 0.5442 0.8514 -0.0522 -0.1513 -0.0364 200 TYR A O 1334 C CB . TYR A 224 ? 0.7672 0.6060 0.8396 -0.0426 -0.1688 -0.0031 200 TYR A CB 1335 C CG . TYR A 224 ? 0.7996 0.6365 0.8391 -0.0374 -0.1702 0.0081 200 TYR A CG 1336 C CD1 . TYR A 224 ? 0.8009 0.6714 0.8521 -0.0296 -0.1691 -0.0004 200 TYR A CD1 1337 C CD2 . TYR A 224 ? 0.8363 0.6341 0.8313 -0.0410 -0.1695 0.0267 200 TYR A CD2 1338 C CE1 . TYR A 224 ? 0.8285 0.6950 0.8468 -0.0244 -0.1672 0.0123 200 TYR A CE1 1339 C CE2 . TYR A 224 ? 0.8659 0.6545 0.8293 -0.0376 -0.1654 0.0386 200 TYR A CE2 1340 C CZ . TYR A 224 ? 0.8596 0.6833 0.8343 -0.0287 -0.1643 0.0328 200 TYR A CZ 1341 O OH . TYR A 224 ? 0.8889 0.7018 0.8298 -0.0247 -0.1573 0.0468 200 TYR A OH 1342 N N . TRP A 225 ? 0.7054 0.5797 0.8335 -0.0309 -0.1613 -0.0507 201 TRP A N 1343 C CA . TRP A 225 ? 0.7004 0.5627 0.8424 -0.0361 -0.1550 -0.0564 201 TRP A CA 1344 C C . TRP A 225 ? 0.7189 0.5735 0.8272 -0.0226 -0.1602 -0.0549 201 TRP A C 1345 O O . TRP A 225 ? 0.7191 0.6089 0.8319 -0.0065 -0.1628 -0.0749 201 TRP A O 1346 C CB . TRP A 225 ? 0.6750 0.5692 0.8678 -0.0399 -0.1441 -0.0869 201 TRP A CB 1347 C CG . TRP A 225 ? 0.6637 0.5440 0.8724 -0.0474 -0.1333 -0.0919 201 TRP A CG 1348 C CD1 . TRP A 225 ? 0.6622 0.5625 0.8743 -0.0405 -0.1326 -0.1098 201 TRP A CD1 1349 C CD2 . TRP A 225 ? 0.6571 0.5030 0.8787 -0.0611 -0.1203 -0.0771 201 TRP A CD2 1350 N NE1 . TRP A 225 ? 0.6607 0.5392 0.8886 -0.0520 -0.1186 -0.1083 201 TRP A NE1 1351 C CE2 . TRP A 225 ? 0.6587 0.5017 0.8903 -0.0639 -0.1105 -0.0871 201 TRP A CE2 1352 C CE3 . TRP A 225 ? 0.6559 0.4771 0.8809 -0.0684 -0.1154 -0.0554 201 TRP A CE3 1353 C CZ2 . TRP A 225 ? 0.6662 0.4771 0.9074 -0.0743 -0.0944 -0.0746 201 TRP A CZ2 1354 C CZ3 . TRP A 225 ? 0.6640 0.4564 0.8977 -0.0756 -0.1012 -0.0421 201 TRP A CZ3 1355 C CH2 . TRP A 225 ? 0.6710 0.4560 0.9111 -0.0787 -0.0901 -0.0510 201 TRP A CH2 1356 N N . ILE A 226 ? 0.7389 0.5502 0.8134 -0.0280 -0.1614 -0.0322 202 ILE A N 1357 C CA . ILE A 226 ? 0.7688 0.5608 0.8037 -0.0142 -0.1640 -0.0268 202 ILE A CA 1358 C C . ILE A 226 ? 0.7818 0.5579 0.8204 -0.0184 -0.1578 -0.0292 202 ILE A C 1359 O O . ILE A 226 ? 0.7808 0.5307 0.8199 -0.0352 -0.1540 -0.0172 202 ILE A O 1360 C CB . ILE A 226 ? 0.7967 0.5461 0.7850 -0.0185 -0.1666 -0.0025 202 ILE A CB 1361 C CG1 . ILE A 226 ? 0.6067 0.3709 0.5966 -0.0201 -0.1696 0.0023 202 ILE A CG1 1362 C CG2 . ILE A 226 ? 0.8370 0.5626 0.7815 0.0011 -0.1656 0.0025 202 ILE A CG2 1363 C CD1 . ILE A 226 ? 0.6300 0.3563 0.5862 -0.0342 -0.1689 0.0240 202 ILE A CD1 1364 N N . GLU A 227 ? 0.7979 0.5948 0.8379 -0.0010 -0.1567 -0.0445 203 GLU A N 1365 C CA . GLU A 227 ? 0.8105 0.5991 0.8577 -0.0038 -0.1487 -0.0496 203 GLU A CA 1366 C C . GLU A 227 ? 0.8503 0.6197 0.8569 0.0160 -0.1494 -0.0445 203 GLU A C 1367 O O . GLU A 227 ? 0.8664 0.6571 0.8587 0.0409 -0.1544 -0.0497 203 GLU A O 1368 C CB . GLU A 227 ? 0.7900 0.6287 0.8901 -0.0047 -0.1414 -0.0787 203 GLU A CB 1369 C CG . GLU A 227 ? 0.7764 0.6245 0.9189 -0.0246 -0.1340 -0.0856 203 GLU A CG 1370 C CD . GLU A 227 ? 0.7786 0.6568 0.9711 -0.0336 -0.1189 -0.1126 203 GLU A CD 1371 O OE1 . GLU A 227 ? 0.7719 0.6689 1.0049 -0.0457 -0.1105 -0.1288 203 GLU A OE1 1372 O OE2 . GLU A 227 ? 0.7916 0.6731 0.9836 -0.0298 -0.1130 -0.1187 203 GLU A OE2 1373 N N . SER A 228 ? 0.8769 0.6067 0.8635 0.0071 -0.1433 -0.0339 204 SER A N 1374 C CA . SER A 228 ? 0.9284 0.6364 0.8804 0.0248 -0.1399 -0.0316 204 SER A CA 1375 C C . SER A 228 ? 0.9450 0.6576 0.9168 0.0178 -0.1294 -0.0406 204 SER A C 1376 O O . SER A 228 ? 0.9260 0.6423 0.9266 -0.0032 -0.1240 -0.0413 204 SER A O 1377 C CB . SER A 228 ? 0.9649 0.6102 0.8626 0.0191 -0.1399 -0.0102 204 SER A CB 1378 O OG . SER A 228 ? 0.9598 0.5816 0.8578 -0.0092 -0.1393 -0.0006 204 SER A OG 1379 N N . ALA A 229 ? 0.9898 0.7014 0.9453 0.0373 -0.1245 -0.0460 205 ALA A N 1380 C CA . ALA A 229 ? 1.0131 0.7325 0.9870 0.0323 -0.1123 -0.0555 205 ALA A CA 1381 C C . ALA A 229 ? 1.0806 0.7644 1.0107 0.0485 -0.1064 -0.0495 205 ALA A C 1382 O O . ALA A 229 ? 1.1101 0.7605 0.9964 0.0646 -0.1102 -0.0387 205 ALA A O 1383 C CB . ALA A 229 ? 0.9871 0.7756 1.0156 0.0394 -0.1086 -0.0825 205 ALA A CB 1384 N N . LEU A 230 ? 1.1120 0.7995 1.0532 0.0444 -0.0940 -0.0565 206 LEU A N 1385 C CA . LEU A 230 ? 1.1736 0.8299 1.0763 0.0602 -0.0858 -0.0537 206 LEU A CA 1386 C C . LEU A 230 ? 1.2069 0.9158 1.1378 0.0844 -0.0785 -0.0736 206 LEU A C 1387 O O . LEU A 230 ? 1.1934 0.9266 1.1554 0.0742 -0.0662 -0.0849 206 LEU A O 1388 C CB . LEU A 230 ? 1.1711 0.7864 1.0540 0.0373 -0.0763 -0.0444 206 LEU A CB 1389 C CG . LEU A 230 ? 1.1962 0.7743 1.0365 0.0495 -0.0656 -0.0434 206 LEU A CG 1390 C CD1 . LEU A 230 ? 1.2298 0.7571 1.0169 0.0631 -0.0699 -0.0343 206 LEU A CD1 1391 C CD2 . LEU A 230 ? 1.1992 0.7492 1.0236 0.0260 -0.0570 -0.0363 206 LEU A CD2 1392 N N . ASN A 231 ? 1.2603 0.9903 1.1805 0.1177 -0.0851 -0.0772 207 ASN A N 1393 C CA . ASN A 231 ? 1.3081 1.0884 1.2450 0.1485 -0.0795 -0.0939 207 ASN A CA 1394 C C . ASN A 231 ? 1.3272 1.0559 1.2041 0.1803 -0.0748 -0.0795 207 ASN A C 1395 O O . ASN A 231 ? 1.3557 1.0714 1.2027 0.2060 -0.0818 -0.0688 207 ASN A O 1396 C CB . ASN A 231 ? 1.3571 1.2201 1.3352 0.1669 -0.0908 -0.1124 207 ASN A CB 1397 C CG . ASN A 231 ? 1.4408 1.3721 1.4414 0.2003 -0.0868 -0.1324 207 ASN A CG 1398 O OD1 . ASN A 231 ? 1.4292 1.3948 1.4678 0.1883 -0.0747 -0.1502 207 ASN A OD1 1399 N ND2 . ASN A 231 ? 1.5371 1.4920 1.5148 0.2439 -0.0959 -0.1288 207 ASN A ND2 1400 N N . ASP A 232 ? 1.3117 1.0061 1.1687 0.1781 -0.0604 -0.0785 208 ASP A N 1401 C CA . ASP A 232 ? 1.3334 0.9603 1.1286 0.2009 -0.0509 -0.0657 208 ASP A CA 1402 C C . ASP A 232 ? 1.3183 0.8609 1.0623 0.1799 -0.0527 -0.0465 208 ASP A C 1403 O O . ASP A 232 ? 1.3561 0.8335 1.0560 0.1730 -0.0414 -0.0409 208 ASP A O 1404 C CB . ASP A 232 ? 1.3699 1.0221 1.1526 0.2538 -0.0508 -0.0659 208 ASP A CB 1405 C CG . ASP A 232 ? 1.3609 1.0967 1.1889 0.2769 -0.0464 -0.0873 208 ASP A CG 1406 O OD1 . ASP A 232 ? 1.3576 1.0968 1.2013 0.2603 -0.0341 -0.0973 208 ASP A OD1 1407 O OD2 . ASP A 232 ? 1.3596 1.1623 1.2074 0.3121 -0.0549 -0.0948 208 ASP A OD2 1408 N N . THR A 233 ? 1.2572 0.8049 1.0085 0.1686 -0.0660 -0.0391 209 THR A N 1409 C CA . THR A 233 ? 1.2384 0.7190 0.9512 0.1436 -0.0681 -0.0236 209 THR A CA 1410 C C . THR A 233 ? 1.1634 0.6754 0.9090 0.1198 -0.0833 -0.0212 209 THR A C 1411 O O . THR A 233 ? 1.1271 0.7050 0.9167 0.1295 -0.0915 -0.0308 209 THR A O 1412 C CB . THR A 233 ? 1.2870 0.7080 0.9445 0.1703 -0.0603 -0.0101 209 THR A CB 1413 O OG1 . THR A 233 ? 1.3164 0.6651 0.9347 0.1389 -0.0564 -0.0005 209 THR A OG1 1414 C CG2 . THR A 233 ? 1.2677 0.7262 0.9358 0.1969 -0.0699 -0.0041 209 THR A CG2 1415 N N . TRP A 234 ? 1.1431 0.6114 0.8683 0.0885 -0.0862 -0.0108 210 TRP A N 1416 C CA . TRP A 234 ? 1.0805 0.5736 0.8333 0.0668 -0.0991 -0.0068 210 TRP A CA 1417 C C . TRP A 234 ? 1.0869 0.5800 0.8277 0.0851 -0.1040 0.0012 210 TRP A C 1418 O O . TRP A 234 ? 1.1386 0.5740 0.8326 0.0888 -0.0973 0.0132 210 TRP A O 1419 C CB . TRP A 234 ? 1.0718 0.5272 0.8077 0.0295 -0.1010 0.0013 210 TRP A CB 1420 C CG . TRP A 234 ? 1.0402 0.5111 0.7959 0.0103 -0.0993 -0.0031 210 TRP A CG 1421 C CD1 . TRP A 234 ? 1.0650 0.5079 0.7948 0.0053 -0.0897 -0.0057 210 TRP A CD1 1422 C CD2 . TRP A 234 ? 0.9847 0.5001 0.7876 -0.0046 -0.1043 -0.0044 210 TRP A CD2 1423 N NE1 . TRP A 234 ? 1.0330 0.5022 0.7893 -0.0106 -0.0890 -0.0062 210 TRP A NE1 1424 C CE2 . TRP A 234 ? 0.9852 0.4958 0.7867 -0.0166 -0.0966 -0.0046 210 TRP A CE2 1425 C CE3 . TRP A 234 ? 0.9410 0.4968 0.7854 -0.0079 -0.1123 -0.0054 210 TRP A CE3 1426 C CZ2 . TRP A 234 ? 0.9503 0.4905 0.7890 -0.0302 -0.0947 -0.0025 210 TRP A CZ2 1427 C CZ3 . TRP A 234 ? 0.9043 0.4878 0.7876 -0.0229 -0.1103 -0.0062 210 TRP A CZ3 1428 C CH2 . TRP A 234 ? 0.9113 0.4847 0.7910 -0.0331 -0.1006 -0.0032 210 TRP A CH2 1429 N N . LYS A 235 ? 1.0390 0.5954 0.8211 0.0952 -0.1137 -0.0065 211 LYS A N 1430 C CA . LYS A 235 ? 1.0403 0.6073 0.8119 0.1156 -0.1190 0.0005 211 LYS A CA 1431 C C . LYS A 235 ? 0.9822 0.6112 0.8033 0.1043 -0.1313 -0.0093 211 LYS A C 1432 O O . LYS A 235 ? 0.9374 0.6125 0.8056 0.0929 -0.1335 -0.0258 211 LYS A O 1433 C CB . LYS A 235 ? 1.0691 0.6546 0.8246 0.1631 -0.1151 -0.0012 211 LYS A CB 1434 C CG . LYS A 235 ? 1.0375 0.6939 0.8380 0.1771 -0.1174 -0.0235 211 LYS A CG 1435 C CD . LYS A 235 ? 1.0773 0.7478 0.8555 0.2267 -0.1121 -0.0233 211 LYS A CD 1436 C CE . LYS A 235 ? 1.0472 0.7964 0.8750 0.2375 -0.1136 -0.0488 211 LYS A CE 1437 N NZ . LYS A 235 ? 1.0868 0.8528 0.8934 0.2877 -0.1076 -0.0485 211 LYS A NZ 1438 N N . ILE A 236 ? 0.9855 0.6119 0.7948 0.1066 -0.1362 0.0005 212 ILE A N 1439 C CA . ILE A 236 ? 0.9340 0.6166 0.7858 0.0982 -0.1466 -0.0097 212 ILE A CA 1440 C C . ILE A 236 ? 0.9000 0.6601 0.7909 0.1212 -0.1517 -0.0334 212 ILE A C 1441 O O . ILE A 236 ? 0.9268 0.7032 0.8006 0.1560 -0.1505 -0.0356 212 ILE A O 1442 C CB . ILE A 236 ? 0.9504 0.6179 0.7757 0.1032 -0.1489 0.0056 212 ILE A CB 1443 C CG1 . ILE A 236 ? 0.9076 0.6277 0.7759 0.0902 -0.1582 -0.0055 212 ILE A CG1 1444 C CG2 . ILE A 236 ? 0.9896 0.6582 0.7776 0.1467 -0.1459 0.0133 212 ILE A CG2 1445 C CD1 . ILE A 236 ? 0.9261 0.6334 0.7698 0.0927 -0.1590 0.0094 212 ILE A CD1 1446 N N . GLU A 237 ? 0.8498 0.6589 0.7942 0.1018 -0.1559 -0.0525 213 GLU A N 1447 C CA . GLU A 237 ? 0.8284 0.7172 0.8176 0.1154 -0.1593 -0.0820 213 GLU A CA 1448 C C . GLU A 237 ? 0.8008 0.7415 0.8160 0.1151 -0.1681 -0.0961 213 GLU A C 1449 O O . GLU A 237 ? 0.8103 0.8072 0.8256 0.1441 -0.1758 -0.1087 213 GLU A O 1450 C CB . GLU A 237 ? 0.8089 0.7131 0.8445 0.0911 -0.1504 -0.1001 213 GLU A CB 1451 C CG . GLU A 237 ? 0.8337 0.7209 0.8551 0.1014 -0.1418 -0.0985 213 GLU A CG 1452 C CD . GLU A 237 ? 0.8451 0.7928 0.8717 0.1383 -0.1451 -0.1155 213 GLU A CD 1453 O OE1 . GLU A 237 ? 0.8258 0.8451 0.8832 0.1488 -0.1536 -0.1374 213 GLU A OE1 1454 O OE2 . GLU A 237 ? 0.8731 0.8005 0.8730 0.1580 -0.1392 -0.1083 213 GLU A OE2 1455 N N . LYS A 238 ? 0.7728 0.6980 0.8090 0.0846 -0.1668 -0.0944 214 LYS A N 1456 C CA . LYS A 238 ? 0.7522 0.7251 0.8165 0.0816 -0.1727 -0.1110 214 LYS A CA 1457 C C . LYS A 238 ? 0.7503 0.6824 0.7961 0.0667 -0.1739 -0.0892 214 LYS A C 1458 O O . LYS A 238 ? 0.7586 0.6310 0.7810 0.0512 -0.1699 -0.0653 214 LYS A O 1459 C CB . LYS A 238 ? 0.7234 0.7416 0.8523 0.0598 -0.1660 -0.1439 214 LYS A CB 1460 C CG . LYS A 238 ? 0.7244 0.8110 0.8823 0.0749 -0.1663 -0.1757 214 LYS A CG 1461 C CD . LYS A 238 ? 0.7023 0.8273 0.9266 0.0468 -0.1544 -0.2110 214 LYS A CD 1462 C CE . LYS A 238 ? 0.7001 0.7644 0.9355 0.0182 -0.1375 -0.1967 214 LYS A CE 1463 N NZ . LYS A 238 ? 0.6831 0.7743 0.9809 -0.0089 -0.1196 -0.2286 214 LYS A NZ 1464 N N . ALA A 239 ? 0.7415 0.7122 0.7983 0.0715 -0.1794 -0.0996 215 ALA A N 1465 C CA . ALA A 239 ? 0.5888 0.5315 0.6335 0.0584 -0.1796 -0.0819 215 ALA A CA 1466 C C . ALA A 239 ? 0.6787 0.6764 0.7605 0.0553 -0.1818 -0.1069 215 ALA A C 1467 O O . ALA A 239 ? 0.6773 0.7343 0.7663 0.0756 -0.1879 -0.1296 215 ALA A O 1468 C CB . ALA A 239 ? 0.6260 0.5356 0.6120 0.0778 -0.1817 -0.0546 215 ALA A CB 1469 N N . SER A 240 ? 0.6661 0.6476 0.7717 0.0311 -0.1766 -0.1042 216 SER A N 1470 C CA . SER A 240 ? 0.6569 0.6825 0.7983 0.0260 -0.1754 -0.1288 216 SER A CA 1471 C C . SER A 240 ? 0.6634 0.6668 0.7881 0.0204 -0.1754 -0.1078 216 SER A C 1472 O O . SER A 240 ? 0.6720 0.6275 0.7856 0.0056 -0.1722 -0.0818 216 SER A O 1473 C CB . SER A 240 ? 0.6392 0.6693 0.8356 0.0027 -0.1632 -0.1509 216 SER A CB 1474 O OG . SER A 240 ? 0.6398 0.6958 0.8565 0.0048 -0.1606 -0.1736 216 SER A OG 1475 N N . PHE A 241 ? 0.6629 0.7070 0.7865 0.0321 -0.1789 -0.1206 217 PHE A N 1476 C CA . PHE A 241 ? 0.6723 0.7016 0.7778 0.0294 -0.1778 -0.1012 217 PHE A CA 1477 C C . PHE A 241 ? 0.6626 0.7362 0.8013 0.0266 -0.1746 -0.1275 217 PHE A C 1478 O O . PHE A 241 ? 0.6610 0.7894 0.8085 0.0404 -0.1787 -0.1572 217 PHE A O 1479 C CB . PHE A 241 ? 0.7147 0.7362 0.7630 0.0525 -0.1826 -0.0792 217 PHE A CB 1480 C CG . PHE A 241 ? 0.7472 0.7107 0.7572 0.0519 -0.1813 -0.0497 217 PHE A CG 1481 C CD1 . PHE A 241 ? 0.7661 0.6803 0.7533 0.0360 -0.1760 -0.0212 217 PHE A CD1 1482 C CD2 . PHE A 241 ? 0.7640 0.7255 0.7617 0.0668 -0.1842 -0.0533 217 PHE A CD2 1483 C CE1 . PHE A 241 ? 0.7937 0.6540 0.7458 0.0322 -0.1729 0.0010 217 PHE A CE1 1484 C CE2 . PHE A 241 ? 0.7905 0.6949 0.7514 0.0664 -0.1807 -0.0285 217 PHE A CE2 1485 C CZ . PHE A 241 ? 0.8077 0.6596 0.7451 0.0479 -0.1747 -0.0024 217 PHE A CZ 1486 N N . ILE A 242 ? 0.6598 0.7129 0.8169 0.0098 -0.1671 -0.1181 218 ILE A N 1487 C CA . ILE A 242 ? 0.6672 0.7538 0.8501 0.0083 -0.1616 -0.1388 218 ILE A CA 1488 C C . ILE A 242 ? 0.6965 0.7782 0.8434 0.0156 -0.1632 -0.1140 218 ILE A C 1489 O O . ILE A 242 ? 0.7039 0.8205 0.8524 0.0233 -0.1613 -0.1276 218 ILE A O 1490 C CB . ILE A 242 ? 0.6475 0.7134 0.8762 -0.0117 -0.1484 -0.1432 218 ILE A CB 1491 C CG1 . ILE A 242 ? 0.6374 0.6959 0.8988 -0.0218 -0.1416 -0.1621 218 ILE A CG1 1492 C CG2 . ILE A 242 ? 0.6472 0.7440 0.9026 -0.0119 -0.1398 -0.1670 218 ILE A CG2 1493 C CD1 . ILE A 242 ? 0.6390 0.7500 0.9200 -0.0166 -0.1424 -0.2058 218 ILE A CD1 1494 N N . GLU A 243 ? 0.7145 0.7525 0.8284 0.0118 -0.1651 -0.0793 219 GLU A N 1495 C CA . GLU A 243 ? 0.7378 0.7618 0.8193 0.0121 -0.1625 -0.0531 219 GLU A CA 1496 C C . GLU A 243 ? 0.7679 0.7525 0.8001 0.0172 -0.1646 -0.0267 219 GLU A C 1497 O O . GLU A 243 ? 0.7679 0.7313 0.7960 0.0169 -0.1684 -0.0258 219 GLU A O 1498 C CB . GLU A 243 ? 0.7295 0.7342 0.8360 -0.0094 -0.1566 -0.0387 219 GLU A CB 1499 C CG . GLU A 243 ? 0.7281 0.6922 0.8362 -0.0250 -0.1587 -0.0216 219 GLU A CG 1500 C CD . GLU A 243 ? 0.7165 0.6753 0.8547 -0.0411 -0.1545 -0.0110 219 GLU A CD 1501 O OE1 . GLU A 243 ? 0.7121 0.6440 0.8467 -0.0534 -0.1570 0.0055 219 GLU A OE1 1502 O OE2 . GLU A 243 ? 0.7134 0.6980 0.8780 -0.0394 -0.1486 -0.0195 219 GLU A OE2 1503 N N . VAL A 244 ? 0.8002 0.7718 0.7943 0.0216 -0.1591 -0.0054 220 VAL A N 1504 C CA . VAL A 244 ? 0.8327 0.7524 0.7813 0.0193 -0.1546 0.0225 220 VAL A CA 1505 C C . VAL A 244 ? 0.8469 0.7452 0.7897 -0.0030 -0.1448 0.0431 220 VAL A C 1506 O O . VAL A 244 ? 0.8536 0.7743 0.7930 0.0008 -0.1382 0.0451 220 VAL A O 1507 C CB . VAL A 244 ? 0.8712 0.7884 0.7687 0.0505 -0.1523 0.0302 220 VAL A CB 1508 C CG1 . VAL A 244 ? 0.7359 0.5872 0.5865 0.0465 -0.1423 0.0589 220 VAL A CG1 1509 C CG2 . VAL A 244 ? 0.6810 0.6332 0.5887 0.0732 -0.1635 0.0067 220 VAL A CG2 1510 N N . LYS A 245 ? 0.8506 0.7112 0.7936 -0.0268 -0.1436 0.0561 221 LYS A N 1511 C CA . LYS A 245 ? 0.8619 0.7133 0.8093 -0.0528 -0.1359 0.0706 221 LYS A CA 1512 C C . LYS A 245 ? 0.9097 0.7066 0.8129 -0.0664 -0.1249 0.0906 221 LYS A C 1513 O O . LYS A 245 ? 0.9308 0.6901 0.8053 -0.0586 -0.1250 0.0939 221 LYS A O 1514 C CB . LYS A 245 ? 0.8236 0.6902 0.8168 -0.0724 -0.1437 0.0650 221 LYS A CB 1515 C CG . LYS A 245 ? 0.8125 0.6591 0.8100 -0.0726 -0.1523 0.0597 221 LYS A CG 1516 C CD . LYS A 245 ? 0.7824 0.6474 0.8232 -0.0848 -0.1581 0.0561 221 LYS A CD 1517 C CE . LYS A 245 ? 0.7852 0.6257 0.8238 -0.0872 -0.1639 0.0546 221 LYS A CE 1518 N NZ . LYS A 245 ? 0.7714 0.6245 0.8424 -0.0985 -0.1675 0.0582 221 LYS A NZ 1519 N N . ASN A 246 ? 0.9310 0.7235 0.8306 -0.0880 -0.1132 0.1022 222 ASN A N 1520 C CA . ASN A 246 ? 0.9889 0.7267 0.8462 -0.1045 -0.0964 0.1187 222 ASN A CA 1521 C C . ASN A 246 ? 0.9943 0.7175 0.8660 -0.1412 -0.0983 0.1180 222 ASN A C 1522 O O . ASN A 246 ? 1.0453 0.7259 0.8890 -0.1639 -0.0825 0.1267 222 ASN A O 1523 C CB . ASN A 246 ? 1.0208 0.7601 0.8600 -0.1074 -0.0770 0.1312 222 ASN A CB 1524 C CG . ASN A 246 ? 1.0936 0.7663 0.8723 -0.1037 -0.0539 0.1501 222 ASN A CG 1525 O OD1 . ASN A 246 ? 1.1322 0.7983 0.8824 -0.0916 -0.0361 0.1634 222 ASN A OD1 1526 N ND2 . ASN A 246 ? 1.1193 0.7392 0.8756 -0.1121 -0.0517 0.1523 222 ASN A ND2 1527 N N . CYS A 247 ? 0.9454 0.7041 0.8594 -0.1469 -0.1160 0.1069 223 CYS A N 1528 C CA . CYS A 247 ? 0.9448 0.7026 0.8726 -0.1780 -0.1209 0.1053 223 CYS A CA 1529 C C . CYS A 247 ? 0.9691 0.6788 0.8688 -0.1795 -0.1234 0.1036 223 CYS A C 1530 O O . CYS A 247 ? 0.9778 0.6583 0.8518 -0.1546 -0.1220 0.1042 223 CYS A O 1531 C CB . CYS A 247 ? 0.8930 0.7080 0.8728 -0.1789 -0.1365 0.0985 223 CYS A CB 1532 S SG . CYS A 247 ? 1.0028 0.8319 1.0058 -0.1472 -0.1500 0.0884 223 CYS A SG 1533 N N . HIS A 248 ? 0.9827 0.6892 0.8870 -0.2079 -0.1272 0.1002 224 HIS A N 1534 C CA . HIS A 248 ? 1.0116 0.6733 0.8885 -0.2122 -0.1284 0.0967 224 HIS A CA 1535 C C . HIS A 248 ? 0.9737 0.6651 0.8782 -0.2072 -0.1472 0.0902 224 HIS A C 1536 O O . HIS A 248 ? 0.9442 0.6856 0.8847 -0.2159 -0.1574 0.0892 224 HIS A O 1537 C CB . HIS A 248 ? 1.0597 0.6887 0.9131 -0.2497 -0.1156 0.0944 224 HIS A CB 1538 C CG . HIS A 248 ? 1.1194 0.7022 0.9383 -0.2555 -0.0904 0.1029 224 HIS A CG 1539 N ND1 . HIS A 248 ? 1.1261 0.7358 0.9591 -0.2650 -0.0804 0.1083 224 HIS A ND1 1540 C CD2 . HIS A 248 ? 1.1833 0.6919 0.9523 -0.2506 -0.0702 0.1089 224 HIS A CD2 1541 C CE1 . HIS A 248 ? 1.1904 0.7428 0.9823 -0.2671 -0.0542 0.1182 224 HIS A CE1 1542 N NE2 . HIS A 248 ? 1.2282 0.7167 0.9800 -0.2572 -0.0471 0.1195 224 HIS A NE2 1543 N N . TRP A 249 ? 0.9741 0.6344 0.8605 -0.1909 -0.1498 0.0874 225 TRP A N 1544 C CA . TRP A 249 ? 0.9356 0.6156 0.8427 -0.1852 -0.1633 0.0829 225 TRP A CA 1545 C C . TRP A 249 ? 0.9491 0.6253 0.8463 -0.2132 -0.1671 0.0798 225 TRP A C 1546 O O . TRP A 249 ? 0.9903 0.6197 0.8508 -0.2253 -0.1591 0.0759 225 TRP A O 1547 C CB . TRP A 249 ? 0.9358 0.5872 0.8274 -0.1601 -0.1626 0.0792 225 TRP A CB 1548 C CG . TRP A 249 ? 0.9009 0.5742 0.8184 -0.1514 -0.1723 0.0753 225 TRP A CG 1549 C CD1 . TRP A 249 ? 0.9085 0.5730 0.8182 -0.1617 -0.1765 0.0744 225 TRP A CD1 1550 C CD2 . TRP A 249 ? 0.8588 0.5641 0.8128 -0.1315 -0.1756 0.0712 225 TRP A CD2 1551 N NE1 . TRP A 249 ? 0.8772 0.5636 0.8149 -0.1478 -0.1810 0.0736 225 TRP A NE1 1552 C CE2 . TRP A 249 ? 0.8473 0.5566 0.8140 -0.1308 -0.1795 0.0706 225 TRP A CE2 1553 C CE3 . TRP A 249 ? 0.8376 0.5677 0.8136 -0.1154 -0.1739 0.0664 225 TRP A CE3 1554 C CZ2 . TRP A 249 ? 0.8171 0.5482 0.8191 -0.1161 -0.1785 0.0660 225 TRP A CZ2 1555 C CZ3 . TRP A 249 ? 0.8074 0.5628 0.8198 -0.1023 -0.1750 0.0580 225 TRP A CZ3 1556 C CH2 . TRP A 249 ? 0.7988 0.5515 0.8246 -0.1036 -0.1758 0.0582 225 TRP A CH2 1557 N N . PRO A 250 ? 0.9195 0.6468 0.8485 -0.2218 -0.1786 0.0809 226 PRO A N 1558 C CA . PRO A 250 ? 0.9320 0.6737 0.8547 -0.2470 -0.1855 0.0764 226 PRO A CA 1559 C C . PRO A 250 ? 0.9453 0.6516 0.8398 -0.2445 -0.1871 0.0715 226 PRO A C 1560 O O . PRO A 250 ? 0.9236 0.6215 0.8232 -0.2197 -0.1889 0.0747 226 PRO A O 1561 C CB . PRO A 250 ? 0.8980 0.7059 0.8622 -0.2393 -0.1985 0.0832 226 PRO A CB 1562 C CG . PRO A 250 ? 0.8649 0.6753 0.8529 -0.2083 -0.1965 0.0893 226 PRO A CG 1563 C CD . PRO A 250 ? 0.8771 0.6534 0.8490 -0.2044 -0.1850 0.0863 226 PRO A CD 1564 N N . LYS A 251 ? 0.9807 0.6677 0.8469 -0.2719 -0.1845 0.0613 227 LYS A N 1565 C CA . LYS A 251 ? 0.9958 0.6468 0.8309 -0.2717 -0.1840 0.0544 227 LYS A CA 1566 C C . LYS A 251 ? 0.9727 0.6674 0.8211 -0.2658 -0.1991 0.0571 227 LYS A C 1567 O O . LYS A 251 ? 0.9883 0.6599 0.8152 -0.2591 -0.1991 0.0541 227 LYS A O 1568 C CB . LYS A 251 ? 1.0417 0.6565 0.8411 -0.3005 -0.1708 0.0391 227 LYS A CB 1569 C CG . LYS A 251 ? 1.0649 0.6270 0.8429 -0.2927 -0.1470 0.0395 227 LYS A CG 1570 C CD . LYS A 251 ? 1.1192 0.6436 0.8649 -0.3129 -0.1270 0.0238 227 LYS A CD 1571 C CE . LYS A 251 ? 1.1553 0.6186 0.8755 -0.2998 -0.1016 0.0285 227 LYS A CE 1572 N NZ . LYS A 251 ? 1.2201 0.6424 0.9125 -0.3198 -0.0789 0.0133 227 LYS A NZ 1573 N N . SER A 252 ? 0.9405 0.6985 0.8225 -0.2657 -0.2104 0.0645 228 SER A N 1574 C CA . SER A 252 ? 0.9241 0.7237 0.8178 -0.2522 -0.2225 0.0730 228 SER A CA 1575 C C . SER A 252 ? 0.8881 0.6658 0.7920 -0.2196 -0.2176 0.0842 228 SER A C 1576 O O . SER A 252 ? 0.8846 0.6565 0.7766 -0.2092 -0.2186 0.0878 228 SER A O 1577 C CB . SER A 252 ? 0.9120 0.7845 0.8404 -0.2527 -0.2336 0.0813 228 SER A CB 1578 O OG . SER A 252 ? 0.8894 0.7689 0.8478 -0.2431 -0.2282 0.0876 228 SER A OG 1579 N N . HIS A 253 ? 0.8614 0.6286 0.7870 -0.2052 -0.2106 0.0874 229 HIS A N 1580 C CA . HIS A 253 ? 0.8387 0.5900 0.7800 -0.1786 -0.2040 0.0921 229 HIS A CA 1581 C C . HIS A 253 ? 0.8369 0.5375 0.7547 -0.1738 -0.1949 0.0821 229 HIS A C 1582 O O . HIS A 253 ? 0.8126 0.5062 0.7471 -0.1557 -0.1890 0.0801 229 HIS A O 1583 C CB . HIS A 253 ? 0.8161 0.5932 0.7972 -0.1646 -0.2018 0.0974 229 HIS A CB 1584 C CG . HIS A 253 ? 0.8108 0.6386 0.8184 -0.1623 -0.2085 0.1093 229 HIS A CG 1585 N ND1 . HIS A 253 ? 0.8238 0.6874 0.8275 -0.1814 -0.2180 0.1097 229 HIS A ND1 1586 C CD2 . HIS A 253 ? 0.7964 0.6463 0.8358 -0.1416 -0.2053 0.1207 229 HIS A CD2 1587 C CE1 . HIS A 253 ? 0.8143 0.7261 0.8463 -0.1693 -0.2227 0.1223 229 HIS A CE1 1588 N NE2 . HIS A 253 ? 0.8011 0.7006 0.8533 -0.1439 -0.2140 0.1307 229 HIS A NE2 1589 N N . THR A 254 ? 0.8657 0.5338 0.7450 -0.1889 -0.1932 0.0743 230 THR A N 1590 C CA . THR A 254 ? 0.8837 0.5023 0.7368 -0.1807 -0.1831 0.0668 230 THR A CA 1591 C C . THR A 254 ? 0.9077 0.4996 0.7335 -0.1796 -0.1803 0.0618 230 THR A C 1592 O O . THR A 254 ? 0.9356 0.5302 0.7417 -0.1977 -0.1845 0.0587 230 THR A O 1593 C CB . THR A 254 ? 0.9220 0.5100 0.7486 -0.1968 -0.1762 0.0622 230 THR A CB 1594 O OG1 . THR A 254 ? 0.9077 0.5258 0.7593 -0.2008 -0.1781 0.0673 230 THR A OG1 1595 C CG2 . THR A 254 ? 0.9447 0.4844 0.7460 -0.1785 -0.1643 0.0594 230 THR A CG2 1596 N N . LEU A 255 ? 0.8990 0.4709 0.7243 -0.1582 -0.1732 0.0590 231 LEU A N 1597 C CA . LEU A 255 ? 0.9121 0.4610 0.7150 -0.1533 -0.1683 0.0543 231 LEU A CA 1598 C C . LEU A 255 ? 0.9463 0.4433 0.7081 -0.1532 -0.1585 0.0455 231 LEU A C 1599 O O . LEU A 255 ? 0.9450 0.4252 0.7048 -0.1374 -0.1524 0.0448 231 LEU A O 1600 C CB . LEU A 255 ? 0.8874 0.4499 0.7188 -0.1304 -0.1635 0.0548 231 LEU A CB 1601 C CG . LEU A 255 ? 0.8604 0.4544 0.7205 -0.1278 -0.1646 0.0635 231 LEU A CG 1602 C CD1 . LEU A 255 ? 0.8288 0.4346 0.7251 -0.1098 -0.1560 0.0595 231 LEU A CD1 1603 C CD2 . LEU A 255 ? 0.8904 0.4737 0.7229 -0.1331 -0.1627 0.0654 231 LEU A CD2 1604 N N . TRP A 256 ? 0.9862 0.4584 0.7133 -0.1686 -0.1560 0.0386 232 TRP A N 1605 C CA . TRP A 256 ? 1.0380 0.4571 0.7247 -0.1662 -0.1417 0.0292 232 TRP A CA 1606 C C . TRP A 256 ? 1.0544 0.4584 0.7318 -0.1720 -0.1318 0.0287 232 TRP A C 1607 O O . TRP A 256 ? 1.0581 0.4403 0.7299 -0.1502 -0.1219 0.0323 232 TRP A O 1608 C CB . TRP A 256 ? 1.0409 0.4431 0.7280 -0.1351 -0.1345 0.0290 232 TRP A CB 1609 C CG . TRP A 256 ? 1.0959 0.4511 0.7432 -0.1267 -0.1189 0.0203 232 TRP A CG 1610 C CD1 . TRP A 256 ? 1.1478 0.4723 0.7608 -0.1451 -0.1087 0.0114 232 TRP A CD1 1611 C CD2 . TRP A 256 ? 1.1092 0.4419 0.7476 -0.0972 -0.1105 0.0183 232 TRP A CD2 1612 N NE1 . TRP A 256 ? 1.1912 0.4728 0.7743 -0.1275 -0.0927 0.0053 232 TRP A NE1 1613 C CE2 . TRP A 256 ? 1.1678 0.4546 0.7649 -0.0966 -0.0942 0.0103 232 TRP A CE2 1614 C CE3 . TRP A 256 ? 1.0699 0.4368 0.7406 -0.0693 -0.1122 0.0197 232 TRP A CE3 1615 C CZ2 . TRP A 256 ? 1.1939 0.4498 0.7717 -0.0676 -0.0822 0.0071 232 TRP A CZ2 1616 C CZ3 . TRP A 256 ? 1.0945 0.4440 0.7511 -0.0419 -0.1011 0.0145 232 TRP A CZ3 1617 C CH2 . TRP A 256 ? 1.1565 0.4466 0.7645 -0.0395 -0.0870 0.0099 232 TRP A CH2 1618 N N . SER A 257 ? 1.0678 0.4831 0.7422 -0.2017 -0.1343 0.0245 233 SER A N 1619 C CA . SER A 257 ? 1.0951 0.4999 0.7660 -0.2123 -0.1234 0.0247 233 SER A CA 1620 C C . SER A 257 ? 1.1667 0.5274 0.8020 -0.2282 -0.1033 0.0116 233 SER A C 1621 O O . SER A 257 ? 1.1949 0.5388 0.8246 -0.2394 -0.0891 0.0107 233 SER A O 1622 C CB . SER A 257 ? 1.0689 0.5217 0.7681 -0.2359 -0.1373 0.0275 233 SER A CB 1623 O OG . SER A 257 ? 1.0993 0.5418 0.7941 -0.2521 -0.1242 0.0252 233 SER A OG 1624 N N . ASN A 258 ? 1.2010 0.5406 0.8124 -0.2294 -0.1001 0.0010 234 ASN A N 1625 C CA . ASN A 258 ? 1.2780 0.5751 0.8566 -0.2453 -0.0802 -0.0144 234 ASN A CA 1626 C C . ASN A 258 ? 1.3326 0.5726 0.8878 -0.2185 -0.0567 -0.0096 234 ASN A C 1627 O O . ASN A 258 ? 1.3284 0.5564 0.8788 -0.1870 -0.0570 -0.0025 234 ASN A O 1628 C CB . ASN A 258 ? 1.3003 0.5970 0.8591 -0.2569 -0.0861 -0.0288 234 ASN A CB 1629 C CG . ASN A 258 ? 1.2834 0.5755 0.8403 -0.2271 -0.0927 -0.0209 234 ASN A CG 1630 O OD1 . ASN A 258 ? 1.2394 0.5693 0.8205 -0.2209 -0.1117 -0.0109 234 ASN A OD1 1631 N ND2 . ASN A 258 ? 1.3199 0.5652 0.8497 -0.2082 -0.0754 -0.0254 234 ASN A ND2 1632 N N . GLY A 259 ? 1.3908 0.5965 0.9316 -0.2309 -0.0356 -0.0135 235 GLY A N 1633 C CA . GLY A 259 ? 1.4518 0.5980 0.9649 -0.2057 -0.0107 -0.0073 235 GLY A CA 1634 C C . GLY A 259 ? 1.4327 0.5808 0.9531 -0.1672 -0.0136 0.0138 235 GLY A C 1635 O O . GLY A 259 ? 1.2435 0.3666 0.7471 -0.1331 -0.0072 0.0200 235 GLY A O 1636 N N . VAL A 260 ? 1.4044 0.5848 0.9492 -0.1722 -0.0234 0.0238 236 VAL A N 1637 C CA . VAL A 260 ? 1.3875 0.5742 0.9383 -0.1380 -0.0279 0.0420 236 VAL A CA 1638 C C . VAL A 260 ? 1.4496 0.5965 0.9795 -0.1284 -0.0051 0.0548 236 VAL A C 1639 O O . VAL A 260 ? 1.4578 0.6082 0.9952 -0.1544 0.0010 0.0551 236 VAL A O 1640 C CB . VAL A 260 ? 1.3080 0.5547 0.8975 -0.1440 -0.0538 0.0464 236 VAL A CB 1641 C CG1 . VAL A 260 ? 1.2896 0.5402 0.8819 -0.1113 -0.0575 0.0626 236 VAL A CG1 1642 C CG2 . VAL A 260 ? 1.2610 0.5425 0.8692 -0.1457 -0.0736 0.0383 236 VAL A CG2 1643 N N . LEU A 261 ? 1.4955 0.6061 0.9980 -0.0893 0.0083 0.0661 237 LEU A N 1644 C CA . LEU A 261 ? 1.5567 0.6279 1.0335 -0.0713 0.0312 0.0825 237 LEU A CA 1645 C C . LEU A 261 ? 1.5246 0.6294 1.0160 -0.0571 0.0182 0.0981 237 LEU A C 1646 O O . LEU A 261 ? 1.4897 0.6223 0.9879 -0.0253 0.0009 0.1043 237 LEU A O 1647 C CB . LEU A 261 ? 1.6105 0.6403 1.0522 -0.0274 0.0477 0.0913 237 LEU A CB 1648 C CG . LEU A 261 ? 1.6864 0.6582 1.0977 -0.0341 0.0740 0.0822 237 LEU A CG 1649 C CD1 . LEU A 261 ? 1.6679 0.6510 1.0928 -0.0704 0.0648 0.0582 237 LEU A CD1 1650 C CD2 . LEU A 261 ? 1.7277 0.6716 1.1090 0.0167 0.0854 0.0927 237 LEU A CD2 1651 N N . GLU A 262 ? 1.5392 0.6422 1.0352 -0.0811 0.0269 0.1029 238 GLU A N 1652 C CA . GLU A 262 ? 1.5081 0.6393 1.0140 -0.0699 0.0170 0.1178 238 GLU A CA 1653 C C . GLU A 262 ? 1.5398 0.6487 1.0122 -0.0188 0.0288 0.1393 238 GLU A C 1654 O O . GLU A 262 ? 1.5149 0.6525 0.9897 0.0042 0.0165 0.1515 238 GLU A O 1655 C CB . GLU A 262 ? 1.5258 0.6597 1.0435 -0.1090 0.0266 0.1175 238 GLU A CB 1656 C CG . GLU A 262 ? 1.4940 0.6663 1.0474 -0.1554 0.0113 0.0965 238 GLU A CG 1657 C CD . GLU A 262 ? 1.4986 0.6921 1.0715 -0.1900 0.0147 0.0964 238 GLU A CD 1658 O OE1 . GLU A 262 ? 1.5248 0.7043 1.0850 -0.1783 0.0271 0.1138 238 GLU A OE1 1659 O OE2 . GLU A 262 ? 1.4768 0.7042 1.0766 -0.2274 0.0052 0.0793 238 GLU A OE2 1660 N N . SER A 263 ? 1.5992 0.6599 1.0387 0.0010 0.0523 0.1433 239 SER A N 1661 C CA . SER A 263 ? 1.6376 0.6820 1.0430 0.0546 0.0645 0.1639 239 SER A CA 1662 C C . SER A 263 ? 1.5921 0.6715 1.0015 0.0963 0.0434 0.1621 239 SER A C 1663 O O . SER A 263 ? 1.6255 0.7057 1.0098 0.1460 0.0497 0.1761 239 SER A O 1664 C CB . SER A 263 ? 1.7326 0.7098 1.1001 0.0611 0.0998 0.1692 239 SER A CB 1665 O OG . SER A 263 ? 1.7449 0.7028 1.1084 0.0602 0.1015 0.1543 239 SER A OG 1666 N N . GLU A 264 ? 1.5204 0.6331 0.9622 0.0771 0.0188 0.1444 240 GLU A N 1667 C CA . GLU A 264 ? 1.4836 0.6297 0.9333 0.1124 -0.0005 0.1395 240 GLU A CA 1668 C C . GLU A 264 ? 1.4027 0.6062 0.8896 0.1062 -0.0332 0.1315 240 GLU A C 1669 O O . GLU A 264 ? 1.3698 0.6206 0.8718 0.1397 -0.0506 0.1266 240 GLU A O 1670 C CB . GLU A 264 ? 1.4934 0.6171 0.9419 0.1029 0.0044 0.1244 240 GLU A CB 1671 C CG . GLU A 264 ? 1.5753 0.6412 0.9850 0.1173 0.0354 0.1304 240 GLU A CG 1672 C CD . GLU A 264 ? 1.5851 0.6428 0.9878 0.1362 0.0363 0.1204 240 GLU A CD 1673 O OE1 . GLU A 264 ? 1.5353 0.6375 0.9591 0.1549 0.0139 0.1141 240 GLU A OE1 1674 O OE2 . GLU A 264 ? 1.6433 0.6495 1.0196 0.1325 0.0602 0.1179 240 GLU A OE2 1675 N N . MET A 265 ? 1.3672 0.5808 0.8781 0.0621 -0.0411 0.1265 241 MET A N 1676 C CA . MET A 265 ? 1.2801 0.5721 0.8449 0.0507 -0.0689 0.1139 241 MET A CA 1677 C C . MET A 265 ? 1.2509 0.5988 0.8272 0.0821 -0.0770 0.1199 241 MET A C 1678 O O . MET A 265 ? 1.2751 0.6081 0.8323 0.0817 -0.0667 0.1343 241 MET A O 1679 C CB . MET A 265 ? 1.2495 0.5474 0.8403 -0.0017 -0.0744 0.1069 241 MET A CB 1680 C CG . MET A 265 ? 1.2998 0.5471 0.8619 -0.0257 -0.0545 0.1189 241 MET A CG 1681 S SD . MET A 265 ? 1.2805 0.5532 0.8794 -0.0861 -0.0606 0.1041 241 MET A SD 1682 C CE . MET A 265 ? 1.0313 0.3900 0.6864 -0.0852 -0.0891 0.1006 241 MET A CE 1683 N N . ILE A 266 ? 1.2001 0.6148 0.8079 0.1080 -0.0943 0.1067 242 ILE A N 1684 C CA . ILE A 266 ? 1.1773 0.6569 0.7978 0.1404 -0.1043 0.1056 242 ILE A CA 1685 C C . ILE A 266 ? 1.1437 0.6546 0.7876 0.1179 -0.1100 0.1056 242 ILE A C 1686 O O . ILE A 266 ? 1.1741 0.6815 0.7913 0.1352 -0.1018 0.1204 242 ILE A O 1687 C CB . ILE A 266 ? 1.1205 0.6757 0.7851 0.1574 -0.1227 0.0822 242 ILE A CB 1688 C CG1 . ILE A 266 ? 1.1566 0.6945 0.7945 0.1932 -0.1162 0.0841 242 ILE A CG1 1689 C CG2 . ILE A 266 ? 1.0913 0.7254 0.7793 0.1796 -0.1354 0.0726 242 ILE A CG2 1690 C CD1 . ILE A 266 ? 1.1158 0.7379 0.7942 0.2167 -0.1319 0.0610 242 ILE A CD1 1691 N N . ILE A 267 ? 1.0865 0.6281 0.7787 0.0822 -0.1224 0.0904 243 ILE A N 1692 C CA . ILE A 267 ? 1.0586 0.6299 0.7763 0.0606 -0.1269 0.0896 243 ILE A CA 1693 C C . ILE A 267 ? 1.0941 0.6055 0.7830 0.0318 -0.1110 0.1067 243 ILE A C 1694 O O . ILE A 267 ? 1.0999 0.5761 0.7886 0.0015 -0.1080 0.1053 243 ILE A O 1695 C CB . ILE A 267 ? 1.0056 0.6232 0.7820 0.0350 -0.1420 0.0705 243 ILE A CB 1696 C CG1 . ILE A 267 ? 0.9814 0.6424 0.7854 0.0550 -0.1521 0.0510 243 ILE A CG1 1697 C CG2 . ILE A 267 ? 0.9749 0.6358 0.7814 0.0244 -0.1471 0.0669 243 ILE A CG2 1698 C CD1 . ILE A 267 ? 0.9253 0.6232 0.7845 0.0321 -0.1613 0.0337 243 ILE A CD1 1699 N N . PRO A 268 ? 1.1216 0.6244 0.7857 0.0405 -0.0996 0.1216 244 PRO A N 1700 C CA . PRO A 268 ? 1.1693 0.6147 0.8044 0.0134 -0.0791 0.1376 244 PRO A CA 1701 C C . PRO A 268 ? 1.1361 0.5941 0.8084 -0.0353 -0.0852 0.1283 244 PRO A C 1702 O O . PRO A 268 ? 1.0785 0.5979 0.7976 -0.0428 -0.1020 0.1169 244 PRO A O 1703 C CB . PRO A 268 ? 1.1874 0.6501 0.8053 0.0344 -0.0708 0.1510 244 PRO A CB 1704 C CG . PRO A 268 ? 1.1807 0.6842 0.7922 0.0838 -0.0812 0.1477 244 PRO A CG 1705 C CD . PRO A 268 ? 1.1170 0.6675 0.7769 0.0786 -0.1038 0.1228 244 PRO A CD 1706 N N . LYS A 269 ? 1.1762 0.5774 0.8269 -0.0668 -0.0703 0.1323 245 LYS A N 1707 C CA . LYS A 269 ? 1.1524 0.5695 0.8338 -0.1128 -0.0753 0.1233 245 LYS A CA 1708 C C . LYS A 269 ? 1.1321 0.5954 0.8409 -0.1243 -0.0766 0.1262 245 LYS A C 1709 O O . LYS A 269 ? 1.0811 0.6005 0.8363 -0.1394 -0.0934 0.1164 245 LYS A O 1710 C CB . LYS A 269 ? 1.2139 0.5612 0.8609 -0.1448 -0.0542 0.1246 245 LYS A CB 1711 C CG . LYS A 269 ? 1.2036 0.5721 0.8769 -0.1938 -0.0548 0.1158 245 LYS A CG 1712 C CD . LYS A 269 ? 1.2741 0.5909 0.9207 -0.2203 -0.0262 0.1118 245 LYS A CD 1713 C CE . LYS A 269 ? 1.2654 0.6220 0.9448 -0.2666 -0.0267 0.0982 245 LYS A CE 1714 N NZ . LYS A 269 ? 1.3313 0.6512 0.9946 -0.2907 0.0018 0.0883 245 LYS A NZ 1715 N N . ASN A 270 ? 1.1801 0.6190 0.8585 -0.1142 -0.0570 0.1413 246 ASN A N 1716 C CA . ASN A 270 ? 1.1717 0.6523 0.8717 -0.1232 -0.0548 0.1450 246 ASN A CA 1717 C C . ASN A 270 ? 1.1198 0.6706 0.8536 -0.0939 -0.0753 0.1375 246 ASN A C 1718 O O . ASN A 270 ? 1.0998 0.6938 0.8568 -0.0973 -0.0762 0.1373 246 ASN A O 1719 C CB . ASN A 270 ? 1.2516 0.6822 0.9043 -0.1184 -0.0244 0.1651 246 ASN A CB 1720 C CG . ASN A 270 ? 1.2615 0.7172 0.9344 -0.1491 -0.0138 0.1674 246 ASN A CG 1721 O OD1 . ASN A 270 ? 1.2208 0.7231 0.9401 -0.1796 -0.0273 0.1538 246 ASN A OD1 1722 N ND2 . ASN A 270 ? 1.3214 0.7480 0.9584 -0.1388 0.0119 0.1860 246 ASN A ND2 1723 N N . LEU A 271 ? 1.0973 0.6598 0.8350 -0.0668 -0.0897 0.1290 247 LEU A N 1724 C CA . LEU A 271 ? 1.0399 0.6683 0.8148 -0.0448 -0.1082 0.1151 247 LEU A CA 1725 C C . LEU A 271 ? 0.9918 0.6461 0.8101 -0.0572 -0.1259 0.0987 247 LEU A C 1726 O O . LEU A 271 ? 0.9620 0.6437 0.7975 -0.0362 -0.1370 0.0858 247 LEU A O 1727 C CB . LEU A 271 ? 1.0463 0.6802 0.7942 -0.0005 -0.1090 0.1157 247 LEU A CB 1728 C CG . LEU A 271 ? 1.0858 0.7055 0.7881 0.0242 -0.0926 0.1338 247 LEU A CG 1729 C CD1 . LEU A 271 ? 1.0785 0.7320 0.7656 0.0720 -0.1007 0.1290 247 LEU A CD1 1730 C CD2 . LEU A 271 ? 1.0693 0.7222 0.7904 0.0094 -0.0886 0.1352 247 LEU A CD2 1731 N N . ALA A 272 ? 0.9902 0.6379 0.8252 -0.0911 -0.1271 0.0990 248 ALA A N 1732 C CA . ALA A 272 ? 0.9491 0.6187 0.8202 -0.1023 -0.1414 0.0882 248 ALA A CA 1733 C C . ALA A 272 ? 0.9451 0.5902 0.8023 -0.0888 -0.1451 0.0827 248 ALA A C 1734 O O . ALA A 272 ? 0.8990 0.5675 0.7862 -0.0863 -0.1553 0.0727 248 ALA A O 1735 C CB . ALA A 272 ? 0.9050 0.6324 0.8243 -0.0942 -0.1513 0.0780 248 ALA A CB 1736 N N . GLY A 273 ? 0.9966 0.5919 0.8076 -0.0792 -0.1341 0.0901 249 GLY A N 1737 C CA . GLY A 273 ? 1.0078 0.5778 0.8026 -0.0654 -0.1354 0.0856 249 GLY A CA 1738 C C . GLY A 273 ? 1.0109 0.5562 0.8044 -0.0938 -0.1367 0.0832 249 GLY A C 1739 O O . GLY A 273 ? 1.0410 0.5577 0.8169 -0.1208 -0.1284 0.0881 249 GLY A O 1740 N N . PRO A 274 ? 0.9839 0.5439 0.7966 -0.0892 -0.1460 0.0738 250 PRO A N 1741 C CA . PRO A 274 ? 0.9928 0.5350 0.8015 -0.1122 -0.1482 0.0711 250 PRO A CA 1742 C C . PRO A 274 ? 1.0513 0.5296 0.8102 -0.1159 -0.1350 0.0732 250 PRO A C 1743 O O . PRO A 274 ? 1.0810 0.5351 0.8175 -0.0892 -0.1286 0.0735 250 PRO A O 1744 C CB . PRO A 274 ? 0.9560 0.5244 0.7916 -0.0976 -0.1564 0.0624 250 PRO A CB 1745 C CG . PRO A 274 ? 0.9203 0.5340 0.7903 -0.0792 -0.1610 0.0576 250 PRO A CG 1746 C CD . PRO A 274 ? 0.9479 0.5488 0.7913 -0.0648 -0.1542 0.0634 250 PRO A CD 1747 N N . VAL A 275 ? 1.0725 0.5262 0.8152 -0.1483 -0.1298 0.0728 251 VAL A N 1748 C CA . VAL A 275 ? 1.1260 0.5228 0.8260 -0.1546 -0.1123 0.0697 251 VAL A CA 1749 C C . VAL A 275 ? 1.1250 0.5207 0.8225 -0.1479 -0.1165 0.0604 251 VAL A C 1750 O O . VAL A 275 ? 1.1387 0.5443 0.8375 -0.1706 -0.1184 0.0514 251 VAL A O 1751 C CB . VAL A 275 ? 1.1424 0.5387 0.8388 -0.1914 -0.1022 0.0637 251 VAL A CB 1752 C CG1 . VAL A 275 ? 1.2080 0.5491 0.8657 -0.1943 -0.0776 0.0581 251 VAL A CG1 1753 C CG2 . VAL A 275 ? 1.1308 0.5403 0.8389 -0.2028 -0.1000 0.0725 251 VAL A CG2 1754 N N . SER A 276 ? 1.1155 0.4998 0.8074 -0.1163 -0.1185 0.0623 252 SER A N 1755 C CA . SER A 276 ? 1.0983 0.4850 0.7922 -0.1087 -0.1226 0.0541 252 SER A CA 1756 C C . SER A 276 ? 1.1219 0.4703 0.7864 -0.0761 -0.1121 0.0545 252 SER A C 1757 O O . SER A 276 ? 1.1311 0.4768 0.7876 -0.0489 -0.1070 0.0618 252 SER A O 1758 C CB . SER A 276 ? 1.0431 0.4895 0.7849 -0.1030 -0.1386 0.0520 252 SER A CB 1759 O OG . SER A 276 ? 1.0445 0.4927 0.7887 -0.0924 -0.1388 0.0453 252 SER A OG 1760 N N . GLN A 277 ? 1.1265 0.4605 0.7787 -0.0749 -0.1073 0.0462 253 GLN A N 1761 C CA . GLN A 277 ? 1.1494 0.4522 0.7769 -0.0415 -0.0981 0.0456 253 GLN A CA 1762 C C . GLN A 277 ? 1.0907 0.4559 0.7602 -0.0166 -0.1093 0.0409 253 GLN A C 1763 O O . GLN A 277 ? 0.9464 0.3126 0.6100 0.0132 -0.1041 0.0372 253 GLN A O 1764 C CB . GLN A 277 ? 1.0228 0.2976 0.6267 -0.0502 -0.0862 0.0359 253 GLN A CB 1765 C CG . GLN A 277 ? 1.1241 0.3709 0.7048 -0.0786 -0.0716 0.0321 253 GLN A CG 1766 C CD . GLN A 277 ? 1.1726 0.3799 0.7214 -0.0794 -0.0565 0.0215 253 GLN A CD 1767 O OE1 . GLN A 277 ? 1.1811 0.3762 0.7204 -0.0530 -0.0535 0.0200 253 GLN A OE1 1768 N NE2 . GLN A 277 ? 1.2069 0.3944 0.7392 -0.1099 -0.0465 0.0123 253 GLN A NE2 1769 N N . HIS A 278 ? 1.0316 0.4499 0.7450 -0.0299 -0.1228 0.0394 254 HIS A N 1770 C CA . HIS A 278 ? 0.9846 0.4622 0.7424 -0.0114 -0.1306 0.0320 254 HIS A CA 1771 C C . HIS A 278 ? 0.9872 0.4863 0.7488 0.0110 -0.1328 0.0351 254 HIS A C 1772 O O . HIS A 278 ? 0.9750 0.5167 0.7582 0.0369 -0.1359 0.0262 254 HIS A O 1773 C CB . HIS A 278 ? 0.9383 0.4552 0.7389 -0.0343 -0.1399 0.0296 254 HIS A CB 1774 C CG . HIS A 278 ? 0.9424 0.4512 0.7427 -0.0496 -0.1380 0.0276 254 HIS A CG 1775 N ND1 . HIS A 278 ? 0.9444 0.4565 0.7479 -0.0363 -0.1314 0.0194 254 HIS A ND1 1776 C CD2 . HIS A 278 ? 0.9424 0.4463 0.7395 -0.0754 -0.1417 0.0330 254 HIS A CD2 1777 C CE1 . HIS A 278 ? 0.9493 0.4531 0.7482 -0.0535 -0.1298 0.0212 254 HIS A CE1 1778 N NE2 . HIS A 278 ? 0.9475 0.4482 0.7417 -0.0760 -0.1370 0.0296 254 HIS A NE2 1779 N N . ASN A 279 ? 1.0015 0.4752 0.7420 0.0002 -0.1304 0.0465 255 ASN A N 1780 C CA . ASN A 279 ? 1.0006 0.4874 0.7345 0.0219 -0.1298 0.0531 255 ASN A CA 1781 C C . ASN A 279 ? 1.0554 0.5004 0.7415 0.0550 -0.1166 0.0618 255 ASN A C 1782 O O . ASN A 279 ? 1.0955 0.5204 0.7528 0.0704 -0.1087 0.0752 255 ASN A O 1783 C CB . ASN A 279 ? 1.0125 0.4854 0.7410 -0.0035 -0.1286 0.0633 255 ASN A CB 1784 C CG . ASN A 279 ? 1.0202 0.5226 0.7527 0.0156 -0.1301 0.0686 255 ASN A CG 1785 O OD1 . ASN A 279 ? 1.0081 0.5524 0.7534 0.0462 -0.1356 0.0616 255 ASN A OD1 1786 N ND2 . ASN A 279 ? 1.0400 0.5258 0.7620 -0.0031 -0.1250 0.0791 255 ASN A ND2 1787 N N . TYR A 280 ? 1.0609 0.4915 0.7370 0.0683 -0.1120 0.0557 256 TYR A N 1788 C CA . TYR A 280 ? 1.1124 0.5011 0.7430 0.1040 -0.0975 0.0644 256 TYR A CA 1789 C C . TYR A 280 ? 1.0853 0.5347 0.7361 0.1456 -0.1046 0.0553 256 TYR A C 1790 O O . TYR A 280 ? 1.0223 0.5321 0.7211 0.1392 -0.1166 0.0374 256 TYR A O 1791 C CB . TYR A 280 ? 1.1566 0.4808 0.7559 0.0911 -0.0841 0.0629 256 TYR A CB 1792 C CG . TYR A 280 ? 1.2143 0.4636 0.7747 0.0606 -0.0694 0.0718 256 TYR A CG 1793 C CD1 . TYR A 280 ? 1.2176 0.4652 0.7790 0.0419 -0.0697 0.0809 256 TYR A CD1 1794 C CD2 . TYR A 280 ? 1.2607 0.4614 0.7940 0.0480 -0.0522 0.0666 256 TYR A CD2 1795 C CE1 . TYR A 280 ? 1.2548 0.4673 0.8002 0.0097 -0.0525 0.0822 256 TYR A CE1 1796 C CE2 . TYR A 280 ? 1.2961 0.4666 0.8152 0.0156 -0.0359 0.0662 256 TYR A CE2 1797 C CZ . TYR A 280 ? 1.2938 0.4716 0.8205 -0.0036 -0.0361 0.0735 256 TYR A CZ 1798 O OH . TYR A 280 ? 1.3321 0.4825 0.8478 -0.0361 -0.0194 0.0704 256 TYR A OH 1799 N N . ARG A 281 ? 1.1363 0.5700 0.7497 0.1887 -0.0952 0.0676 257 ARG A N 1800 C CA . ARG A 281 ? 1.1325 0.6240 0.7575 0.2342 -0.1004 0.0593 257 ARG A CA 1801 C C . ARG A 281 ? 1.2206 0.6542 0.7854 0.2780 -0.0812 0.0788 257 ARG A C 1802 O O . ARG A 281 ? 1.2676 0.6559 0.7895 0.2923 -0.0693 0.1007 257 ARG A O 1803 C CB . ARG A 281 ? 1.0863 0.6622 0.7427 0.2512 -0.1165 0.0518 257 ARG A CB 1804 C CG . ARG A 281 ? 1.0635 0.7232 0.7478 0.2892 -0.1263 0.0338 257 ARG A CG 1805 C CD . ARG A 281 ? 1.0162 0.7065 0.7476 0.2659 -0.1303 0.0099 257 ARG A CD 1806 N NE . ARG A 281 ? 0.9925 0.7745 0.7599 0.2965 -0.1393 -0.0124 257 ARG A NE 1807 C CZ . ARG A 281 ? 0.9282 0.7891 0.7583 0.2771 -0.1507 -0.0412 257 ARG A CZ 1808 N NH1 . ARG A 281 ? 0.8759 0.7288 0.7363 0.2316 -0.1538 -0.0473 257 ARG A NH1 1809 N NH2 . ARG A 281 ? 0.9189 0.8674 0.7824 0.3034 -0.1573 -0.0649 257 ARG A NH2 1810 N N . PRO A 282 ? 1.2348 0.8972 0.7112 0.3229 -0.0259 -0.0863 258 PRO A N 1811 C CA . PRO A 282 ? 1.2968 0.9301 0.7425 0.3681 -0.0265 -0.0997 258 PRO A CA 1812 C C . PRO A 282 ? 1.3180 0.9199 0.7561 0.3829 -0.0373 -0.0920 258 PRO A C 1813 O O . PRO A 282 ? 1.2768 0.9226 0.7452 0.3707 -0.0434 -0.0784 258 PRO A O 1814 C CB . PRO A 282 ? 1.2869 1.0123 0.7580 0.3926 -0.0212 -0.1028 258 PRO A CB 1815 C CG . PRO A 282 ? 1.1126 0.8912 0.6098 0.3589 -0.0142 -0.0968 258 PRO A CG 1816 C CD . PRO A 282 ? 1.1990 0.9516 0.7109 0.3157 -0.0198 -0.0817 258 PRO A CD 1817 N N . GLY A 283 ? 1.3885 0.9142 0.7858 0.4077 -0.0407 -0.1003 259 GLY A N 1818 C CA . GLY A 283 ? 1.4267 0.9187 0.8127 0.4217 -0.0516 -0.0906 259 GLY A CA 1819 C C . GLY A 283 ? 1.4076 0.8759 0.7982 0.3827 -0.0569 -0.0767 259 GLY A C 1820 O O . GLY A 283 ? 1.3993 0.8858 0.8012 0.3841 -0.0654 -0.0652 259 GLY A O 1821 N N . TYR A 284 ? 1.4039 0.8355 0.7857 0.3486 -0.0521 -0.0787 260 TYR A N 1822 C CA . TYR A 284 ? 1.3907 0.7955 0.7734 0.3138 -0.0561 -0.0681 260 TYR A CA 1823 C C . TYR A 284 ? 1.4117 0.7441 0.7631 0.2915 -0.0523 -0.0723 260 TYR A C 1824 O O . TYR A 284 ? 1.4267 0.7420 0.7642 0.2939 -0.0458 -0.0838 260 TYR A O 1825 C CB . TYR A 284 ? 1.3363 0.8089 0.7646 0.2840 -0.0549 -0.0612 260 TYR A CB 1826 C CG . TYR A 284 ? 1.3243 0.8634 0.7836 0.2962 -0.0616 -0.0541 260 TYR A CG 1827 C CD1 . TYR A 284 ? 1.3277 0.8610 0.7867 0.2929 -0.0709 -0.0463 260 TYR A CD1 1828 C CD2 . TYR A 284 ? 1.3104 0.9229 0.7990 0.3097 -0.0588 -0.0551 260 TYR A CD2 1829 C CE1 . TYR A 284 ? 1.3117 0.9079 0.7984 0.3025 -0.0782 -0.0406 260 TYR A CE1 1830 C CE2 . TYR A 284 ? 1.2940 0.9712 0.8119 0.3184 -0.0657 -0.0479 260 TYR A CE2 1831 C CZ . TYR A 284 ? 1.2928 0.9603 0.8097 0.3145 -0.0758 -0.0412 260 TYR A CZ 1832 O OH . TYR A 284 ? 1.2746 1.0086 0.8202 0.3215 -0.0837 -0.0348 260 TYR A OH 1833 N N . HIS A 285 ? 1.4125 0.7070 0.7529 0.2690 -0.0566 -0.0634 261 HIS A N 1834 C CA . HIS A 285 ? 1.4216 0.6588 0.7383 0.2413 -0.0533 -0.0647 261 HIS A CA 1835 C C . HIS A 285 ? 1.3731 0.6296 0.7121 0.2055 -0.0531 -0.0563 261 HIS A C 1836 O O . HIS A 285 ? 1.3340 0.6467 0.7077 0.2014 -0.0552 -0.0521 261 HIS A O 1837 C CB . HIS A 285 ? 1.4858 0.6426 0.7565 0.2522 -0.0588 -0.0625 261 HIS A CB 1838 C CG . HIS A 285 ? 1.5303 0.6714 0.7858 0.2788 -0.0585 -0.0716 261 HIS A CG 1839 N ND1 . HIS A 285 ? 1.5484 0.6689 0.7939 0.2640 -0.0539 -0.0790 261 HIS A ND1 1840 C CD2 . HIS A 285 ? 1.5621 0.7074 0.8120 0.3204 -0.0625 -0.0755 261 HIS A CD2 1841 C CE1 . HIS A 285 ? 1.5916 0.7002 0.8249 0.2946 -0.0552 -0.0887 261 HIS A CE1 1842 N NE2 . HIS A 285 ? 1.6018 0.7265 0.8384 0.3296 -0.0600 -0.0866 261 HIS A NE2 1843 N N . THR A 286 ? 1.3776 0.5880 0.6968 0.1798 -0.0510 -0.0547 262 THR A N 1844 C CA . THR A 286 ? 1.1510 0.3794 0.4910 0.1477 -0.0497 -0.0490 262 THR A CA 1845 C C . THR A 286 ? 1.3722 0.6117 0.7161 0.1499 -0.0567 -0.0414 262 THR A C 1846 O O . THR A 286 ? 1.1888 0.3902 0.5017 0.1622 -0.0620 -0.0358 262 THR A O 1847 C CB . THR A 286 ? 1.1606 0.3530 0.4834 0.1196 -0.0458 -0.0465 262 THR A CB 1848 O OG1 . THR A 286 ? 1.1628 0.3561 0.4855 0.1158 -0.0401 -0.0532 262 THR A OG1 1849 C CG2 . THR A 286 ? 1.1182 0.3330 0.4646 0.0908 -0.0436 -0.0429 262 THR A CG2 1850 N N . GLN A 287 ? 1.3271 0.6190 0.7090 0.1375 -0.0574 -0.0411 263 GLN A N 1851 C CA . GLN A 287 ? 1.3227 0.6321 0.7102 0.1372 -0.0641 -0.0371 263 GLN A CA 1852 C C . GLN A 287 ? 1.3336 0.6191 0.7092 0.1118 -0.0625 -0.0348 263 GLN A C 1853 O O . GLN A 287 ? 1.2975 0.6144 0.6998 0.0951 -0.0626 -0.0382 263 GLN A O 1854 C CB . GLN A 287 ? 1.2679 0.6424 0.7015 0.1344 -0.0669 -0.0402 263 GLN A CB 1855 C CG . GLN A 287 ? 1.2538 0.6651 0.7061 0.1540 -0.0667 -0.0415 263 GLN A CG 1856 C CD . GLN A 287 ? 1.2829 0.6875 0.7126 0.1875 -0.0717 -0.0390 263 GLN A CD 1857 O OE1 . GLN A 287 ? 1.3202 0.6803 0.7174 0.2035 -0.0695 -0.0397 263 GLN A OE1 1858 N NE2 . GLN A 287 ? 1.2707 0.7190 0.7180 0.1987 -0.0795 -0.0366 263 GLN A NE2 1859 N N . ILE A 288 ? 1.3865 0.6169 0.7223 0.1091 -0.0614 -0.0295 264 ILE A N 1860 C CA . ILE A 288 ? 1.4003 0.6104 0.7215 0.0845 -0.0592 -0.0254 264 ILE A CA 1861 C C . ILE A 288 ? 1.3972 0.6333 0.7216 0.0839 -0.0646 -0.0230 264 ILE A C 1862 O O . ILE A 288 ? 1.3690 0.6247 0.7065 0.0640 -0.0618 -0.0266 264 ILE A O 1863 C CB . ILE A 288 ? 1.4607 0.6086 0.7371 0.0814 -0.0592 -0.0170 264 ILE A CB 1864 C CG1 . ILE A 288 ? 1.4604 0.6095 0.7438 0.0831 -0.0544 -0.0208 264 ILE A CG1 1865 C CG2 . ILE A 288 ? 1.4620 0.6057 0.7309 0.0514 -0.0551 -0.0117 264 ILE A CG2 1866 C CD1 . ILE A 288 ? 1.4967 0.6134 0.7542 0.0722 -0.0538 -0.0144 264 ILE A CD1 1867 N N . THR A 289 ? 1.4264 0.6655 0.7391 0.1073 -0.0724 -0.0179 265 THR A N 1868 C CA . THR A 289 ? 1.4265 0.6949 0.7401 0.1087 -0.0789 -0.0157 265 THR A CA 1869 C C . THR A 289 ? 1.3983 0.7228 0.7490 0.1209 -0.0839 -0.0240 265 THR A C 1870 O O . THR A 289 ? 1.4121 0.7525 0.7578 0.1417 -0.0920 -0.0192 265 THR A O 1871 C CB . THR A 289 ? 1.4755 0.7108 0.7479 0.1243 -0.0863 -0.0004 265 THR A CB 1872 O OG1 . THR A 289 ? 1.5104 0.6848 0.7484 0.1157 -0.0830 0.0086 265 THR A OG1 1873 C CG2 . THR A 289 ? 1.4806 0.7419 0.7456 0.1160 -0.0910 0.0034 265 THR A CG2 1874 N N . GLY A 290 ? 1.3639 0.7187 0.7527 0.1069 -0.0797 -0.0348 266 GLY A N 1875 C CA . GLY A 290 ? 1.3428 0.7511 0.7700 0.1111 -0.0850 -0.0422 266 GLY A CA 1876 C C . GLY A 290 ? 1.3344 0.7701 0.7794 0.0931 -0.0876 -0.0520 266 GLY A C 1877 O O . GLY A 290 ? 1.3487 0.7659 0.7769 0.0790 -0.0837 -0.0533 266 GLY A O 1878 N N . PRO A 291 ? 1.3148 0.7965 0.7939 0.0931 -0.0944 -0.0599 267 PRO A N 1879 C CA . PRO A 291 ? 1.3021 0.8098 0.8005 0.0771 -0.0983 -0.0735 267 PRO A CA 1880 C C . PRO A 291 ? 1.2753 0.7790 0.8028 0.0565 -0.0921 -0.0825 267 PRO A C 1881 O O . PRO A 291 ? 1.2534 0.7844 0.8196 0.0477 -0.0967 -0.0917 267 PRO A O 1882 C CB . PRO A 291 ? 1.2930 0.8476 0.8195 0.0839 -0.1090 -0.0774 267 PRO A CB 1883 C CG . PRO A 291 ? 1.2835 0.8427 0.8229 0.0954 -0.1068 -0.0679 267 PRO A CG 1884 C CD . PRO A 291 ? 1.3090 0.8228 0.8095 0.1085 -0.0995 -0.0569 267 PRO A CD 1885 N N . TRP A 292 ? 1.2790 0.7485 0.7885 0.0486 -0.0827 -0.0788 268 TRP A N 1886 C CA . TRP A 292 ? 1.2499 0.7161 0.7856 0.0310 -0.0767 -0.0854 268 TRP A CA 1887 C C . TRP A 292 ? 1.2499 0.7247 0.7874 0.0200 -0.0767 -0.0995 268 TRP A C 1888 O O . TRP A 292 ? 1.2352 0.7111 0.7969 0.0075 -0.0729 -0.1079 268 TRP A O 1889 C CB . TRP A 292 ? 1.2545 0.6854 0.7702 0.0269 -0.0671 -0.0750 268 TRP A CB 1890 C CG . TRP A 292 ? 1.2645 0.6816 0.7660 0.0412 -0.0666 -0.0638 268 TRP A CG 1891 C CD1 . TRP A 292 ? 1.3011 0.6879 0.7616 0.0540 -0.0662 -0.0548 268 TRP A CD1 1892 C CD2 . TRP A 292 ? 1.2463 0.6804 0.7745 0.0452 -0.0669 -0.0610 268 TRP A CD2 1893 N NE1 . TRP A 292 ? 1.3087 0.6912 0.7686 0.0681 -0.0658 -0.0496 268 TRP A NE1 1894 C CE2 . TRP A 292 ? 1.2717 0.6871 0.7725 0.0626 -0.0656 -0.0531 268 TRP A CE2 1895 C CE3 . TRP A 292 ? 1.2154 0.6793 0.7881 0.0355 -0.0684 -0.0636 268 TRP A CE3 1896 C CZ2 . TRP A 292 ? 1.2600 0.6914 0.7757 0.0715 -0.0645 -0.0498 268 TRP A CZ2 1897 C CZ3 . TRP A 292 ? 1.2044 0.6847 0.7919 0.0416 -0.0678 -0.0566 268 TRP A CZ3 1898 C CH2 . TRP A 292 ? 1.2234 0.6905 0.7821 0.0599 -0.0652 -0.0509 268 TRP A CH2 1899 N N . HIS A 293 ? 1.2693 0.7530 0.7811 0.0262 -0.0812 -0.1022 269 HIS A N 1900 C CA . HIS A 293 ? 1.2735 0.7719 0.7813 0.0179 -0.0811 -0.1173 269 HIS A CA 1901 C C . HIS A 293 ? 1.2602 0.7891 0.8075 0.0135 -0.0892 -0.1376 269 HIS A C 1902 O O . HIS A 293 ? 1.2667 0.8113 0.8160 0.0079 -0.0903 -0.1558 269 HIS A O 1903 C CB . HIS A 293 ? 1.3003 0.8027 0.7661 0.0256 -0.0843 -0.1112 269 HIS A CB 1904 C CG . HIS A 293 ? 1.3005 0.8248 0.7662 0.0394 -0.0958 -0.1089 269 HIS A CG 1905 N ND1 . HIS A 293 ? 1.3097 0.8201 0.7594 0.0552 -0.0984 -0.0907 269 HIS A ND1 1906 C CD2 . HIS A 293 ? 1.2957 0.8571 0.7756 0.0403 -0.1058 -0.1232 269 HIS A CD2 1907 C CE1 . HIS A 293 ? 1.3119 0.8536 0.7676 0.0659 -0.1091 -0.0922 269 HIS A CE1 1908 N NE2 . HIS A 293 ? 1.3032 0.8765 0.7767 0.0556 -0.1141 -0.1114 269 HIS A NE2 1909 N N . LEU A 294 ? 1.2449 0.7826 0.8230 0.0155 -0.0951 -0.1347 270 LEU A N 1910 C CA . LEU A 294 ? 1.2347 0.7966 0.8533 0.0084 -0.1046 -0.1510 270 LEU A CA 1911 C C . LEU A 294 ? 1.2222 0.7725 0.8751 -0.0040 -0.1007 -0.1597 270 LEU A C 1912 O O . LEU A 294 ? 1.2260 0.7864 0.9060 -0.0113 -0.1070 -0.1793 270 LEU A O 1913 C CB . LEU A 294 ? 1.2243 0.8045 0.8633 0.0133 -0.1127 -0.1407 270 LEU A CB 1914 C CG . LEU A 294 ? 1.2440 0.8508 0.8657 0.0254 -0.1218 -0.1377 270 LEU A CG 1915 C CD1 . LEU A 294 ? 1.2677 0.8579 0.8415 0.0407 -0.1165 -0.1231 270 LEU A CD1 1916 C CD2 . LEU A 294 ? 1.2306 0.8627 0.8811 0.0280 -0.1289 -0.1285 270 LEU A CD2 1917 N N . GLY A 295 ? 1.2135 0.7416 0.8649 -0.0059 -0.0912 -0.1455 271 GLY A N 1918 C CA . GLY A 295 ? 1.1998 0.7186 0.8851 -0.0162 -0.0879 -0.1490 271 GLY A CA 1919 C C . GLY A 295 ? 1.1840 0.7113 0.9111 -0.0216 -0.0952 -0.1419 271 GLY A C 1920 O O . GLY A 295 ? 1.1706 0.6888 0.9136 -0.0264 -0.0908 -0.1285 271 GLY A O 1921 N N . LYS A 296 ? 1.1915 0.7396 0.9360 -0.0225 -0.1070 -0.1498 272 LYS A N 1922 C CA . LYS A 296 ? 1.1852 0.7468 0.9700 -0.0305 -0.1154 -0.1414 272 LYS A CA 1923 C C . LYS A 296 ? 1.1847 0.7733 0.9606 -0.0233 -0.1215 -0.1323 272 LYS A C 1924 O O . LYS A 296 ? 1.2049 0.8108 0.9717 -0.0201 -0.1293 -0.1441 272 LYS A O 1925 C CB . LYS A 296 ? 1.2029 0.7654 1.0274 -0.0426 -0.1263 -0.1599 272 LYS A CB 1926 C CG . LYS A 296 ? 1.2045 0.7817 1.0724 -0.0550 -0.1378 -0.1502 272 LYS A CG 1927 C CD . LYS A 296 ? 1.2242 0.7904 1.1318 -0.0680 -0.1494 -0.1686 272 LYS A CD 1928 C CE . LYS A 296 ? 1.2244 0.8042 1.1755 -0.0841 -0.1622 -0.1553 272 LYS A CE 1929 N NZ . LYS A 296 ? 1.2450 0.8045 1.2370 -0.0979 -0.1748 -0.1711 272 LYS A NZ 1930 N N . LEU A 297 ? 1.1569 0.7531 0.9355 -0.0199 -0.1178 -0.1118 273 LEU A N 1931 C CA . LEU A 297 ? 1.1367 0.7622 0.9070 -0.0092 -0.1218 -0.1020 273 LEU A CA 1932 C C . LEU A 297 ? 1.1026 0.7490 0.8986 -0.0128 -0.1213 -0.0833 273 LEU A C 1933 O O . LEU A 297 ? 1.0894 0.7250 0.9063 -0.0239 -0.1175 -0.0758 273 LEU A O 1934 C CB . LEU A 297 ? 1.1476 0.7604 0.8684 0.0105 -0.1143 -0.0976 273 LEU A CB 1935 C CG . LEU A 297 ? 1.1442 0.7295 0.8433 0.0164 -0.1017 -0.0851 273 LEU A CG 1936 C CD1 . LEU A 297 ? 1.1642 0.7459 0.8249 0.0380 -0.0986 -0.0767 273 LEU A CD1 1937 C CD2 . LEU A 297 ? 1.1469 0.6979 0.8312 0.0090 -0.0942 -0.0920 273 LEU A CD2 1938 N N . GLU A 298 ? 1.0887 0.7696 0.8827 -0.0026 -0.1250 -0.0752 274 GLU A N 1939 C CA . GLU A 298 ? 1.0622 0.7749 0.8801 -0.0051 -0.1245 -0.0579 274 GLU A CA 1940 C C . GLU A 298 ? 1.0630 0.7947 0.8527 0.0194 -0.1194 -0.0497 274 GLU A C 1941 O O . GLU A 298 ? 1.0681 0.8326 0.8568 0.0293 -0.1265 -0.0506 274 GLU A O 1942 C CB . GLU A 298 ? 1.0528 0.8038 0.9152 -0.0230 -0.1383 -0.0565 274 GLU A CB 1943 C CG . GLU A 298 ? 1.0336 0.8213 0.9273 -0.0322 -0.1383 -0.0360 274 GLU A CG 1944 C CD . GLU A 298 ? 1.0166 0.7813 0.9315 -0.0489 -0.1344 -0.0272 274 GLU A CD 1945 O OE1 . GLU A 298 ? 1.0173 0.7455 0.9406 -0.0596 -0.1372 -0.0382 274 GLU A OE1 1946 O OE2 . GLU A 298 ? 1.0036 0.7899 0.9272 -0.0503 -0.1287 -0.0092 274 GLU A OE2 1947 N N . MET A 299 ? 1.0612 0.7719 0.8280 0.0297 -0.1076 -0.0428 275 MET A N 1948 C CA . MET A 299 ? 1.0708 0.7923 0.8102 0.0553 -0.1022 -0.0372 275 MET A CA 1949 C C . MET A 299 ? 1.0510 0.8275 0.8184 0.0561 -0.1027 -0.0249 275 MET A C 1950 O O . MET A 299 ? 1.0351 0.8244 0.8298 0.0384 -0.1009 -0.0161 275 MET A O 1951 C CB . MET A 299 ? 1.0860 0.7610 0.7891 0.0643 -0.0902 -0.0370 275 MET A CB 1952 C CG . MET A 299 ? 1.1088 0.7883 0.7846 0.0915 -0.0846 -0.0333 275 MET A CG 1953 S SD . MET A 299 ? 1.4900 1.1191 1.1306 0.0957 -0.0718 -0.0334 275 MET A SD 1954 C CE . MET A 299 ? 0.8926 0.4617 0.5043 0.0866 -0.0717 -0.0409 275 MET A CE 1955 N N . ASP A 300 ? 1.0535 0.8662 0.8146 0.0771 -0.1055 -0.0230 276 ASP A N 1956 C CA . ASP A 300 ? 1.0367 0.9091 0.8203 0.0823 -0.1043 -0.0116 276 ASP A CA 1957 C C . ASP A 300 ? 1.0500 0.9394 0.8066 0.1181 -0.1014 -0.0127 276 ASP A C 1958 O O . ASP A 300 ? 1.0699 0.9198 0.7909 0.1369 -0.1012 -0.0203 276 ASP A O 1959 C CB . ASP A 300 ? 1.0144 0.9407 0.8447 0.0600 -0.1164 -0.0052 276 ASP A CB 1960 C CG . ASP A 300 ? 1.0184 0.9542 0.8476 0.0631 -0.1283 -0.0141 276 ASP A CG 1961 O OD1 . ASP A 300 ? 1.0335 0.9215 0.8358 0.0670 -0.1291 -0.0261 276 ASP A OD1 1962 O OD2 . ASP A 300 ? 1.0065 1.0019 0.8618 0.0603 -0.1371 -0.0085 276 ASP A OD2 1963 N N . PHE A 301 ? 1.0440 0.9936 0.8180 0.1281 -0.0992 -0.0043 277 PHE A N 1964 C CA . PHE A 301 ? 1.0693 1.0383 0.8204 0.1660 -0.0958 -0.0063 277 PHE A CA 1965 C C . PHE A 301 ? 1.0577 1.1057 0.8376 0.1731 -0.1043 0.0003 277 PHE A C 1966 O O . PHE A 301 ? 1.0442 1.1560 0.8470 0.1760 -0.1010 0.0087 277 PHE A O 1967 C CB . PHE A 301 ? 1.0892 1.0559 0.8244 0.1816 -0.0825 -0.0065 277 PHE A CB 1968 C CG . PHE A 301 ? 1.1151 1.0014 0.8122 0.1829 -0.0751 -0.0150 277 PHE A CG 1969 C CD1 . PHE A 301 ? 1.0990 0.9571 0.8041 0.1529 -0.0719 -0.0129 277 PHE A CD1 1970 C CD2 . PHE A 301 ? 1.1588 0.9973 0.8127 0.2134 -0.0724 -0.0240 277 PHE A CD2 1971 C CE1 . PHE A 301 ? 1.1166 0.9065 0.7879 0.1522 -0.0655 -0.0200 277 PHE A CE1 1972 C CE2 . PHE A 301 ? 1.1788 0.9439 0.7979 0.2109 -0.0666 -0.0306 277 PHE A CE2 1973 C CZ . PHE A 301 ? 1.1556 0.8991 0.7835 0.1796 -0.0628 -0.0289 277 PHE A CZ 1974 N N . ASP A 302 ? 1.0654 1.1124 0.8432 0.1748 -0.1155 -0.0032 278 ASP A N 1975 C CA . ASP A 302 ? 1.0654 1.1864 0.8693 0.1794 -0.1259 0.0024 278 ASP A CA 1976 C C . ASP A 302 ? 1.0944 1.1930 0.8733 0.1961 -0.1348 -0.0042 278 ASP A C 1977 O O . ASP A 302 ? 1.1096 1.1378 0.8542 0.1999 -0.1325 -0.0117 278 ASP A O 1978 C CB . ASP A 302 ? 1.0342 1.1944 0.8846 0.1380 -0.1354 0.0088 278 ASP A CB 1979 C CG . ASP A 302 ? 1.0265 1.2740 0.9089 0.1378 -0.1459 0.0169 278 ASP A CG 1980 O OD1 . ASP A 302 ? 1.0363 1.3278 0.9111 0.1711 -0.1426 0.0202 278 ASP A OD1 1981 O OD2 . ASP A 302 ? 1.0137 1.2864 0.9298 0.1044 -0.1579 0.0197 278 ASP A OD2 1982 N N . PHE A 303 ? 1.1014 1.2638 0.8971 0.2053 -0.1452 0.0001 279 PHE A N 1983 C CA . PHE A 303 ? 1.1226 1.2739 0.8970 0.2192 -0.1554 -0.0039 279 PHE A CA 1984 C C . PHE A 303 ? 1.1150 1.2513 0.9010 0.1829 -0.1662 -0.0113 279 PHE A C 1985 O O . PHE A 303 ? 1.0908 1.2595 0.9149 0.1505 -0.1718 -0.0104 279 PHE A O 1986 C CB . PHE A 303 ? 1.1261 1.3581 0.9158 0.2427 -0.1635 0.0038 279 PHE A CB 1987 C CG . PHE A 303 ? 1.1373 1.3904 0.9166 0.2840 -0.1536 0.0086 279 PHE A CG 1988 C CD1 . PHE A 303 ? 1.1706 1.3679 0.9067 0.3216 -0.1489 0.0055 279 PHE A CD1 1989 C CD2 . PHE A 303 ? 1.1187 1.4488 0.9316 0.2855 -0.1496 0.0159 279 PHE A CD2 1990 C CE1 . PHE A 303 ? 1.1907 1.4032 0.9170 0.3621 -0.1404 0.0066 279 PHE A CE1 1991 C CE2 . PHE A 303 ? 1.1353 1.4886 0.9383 0.3262 -0.1398 0.0170 279 PHE A CE2 1992 C CZ . PHE A 303 ? 1.1724 1.4645 0.9319 0.3657 -0.1354 0.0109 279 PHE A CZ 1993 N N . CYS A 304 ? 1.1425 1.2294 0.8954 0.1882 -0.1696 -0.0188 280 CYS A N 1994 C CA . CYS A 304 ? 1.1472 1.2283 0.9077 0.1593 -0.1809 -0.0290 280 CYS A CA 1995 C C . CYS A 304 ? 1.1512 1.3118 0.9414 0.1536 -0.1959 -0.0262 280 CYS A C 1996 O O . CYS A 304 ? 1.1618 1.3717 0.9524 0.1809 -0.1980 -0.0162 280 CYS A O 1997 C CB . CYS A 304 ? 1.1762 1.2036 0.8928 0.1703 -0.1817 -0.0354 280 CYS A CB 1998 S SG . CYS A 304 ? 1.3534 1.2881 1.0357 0.1689 -0.1661 -0.0396 280 CYS A SG 1999 N N . ASP A 305 ? 1.1444 1.3181 0.9602 0.1184 -0.2069 -0.0357 281 ASP A N 2000 C CA . ASP A 305 ? 1.1481 1.3971 0.9943 0.1063 -0.2229 -0.0342 281 ASP A CA 2001 C C . ASP A 305 ? 1.1849 1.4604 1.0057 0.1319 -0.2318 -0.0334 281 ASP A C 2002 O O . ASP A 305 ? 1.2056 1.4395 0.9935 0.1353 -0.2338 -0.0428 281 ASP A O 2003 C CB . ASP A 305 ? 1.1334 1.3760 1.0063 0.0630 -0.2342 -0.0485 281 ASP A CB 2004 C CG . ASP A 305 ? 1.1070 1.3306 1.0109 0.0369 -0.2282 -0.0452 281 ASP A CG 2005 O OD1 . ASP A 305 ? 1.0920 1.3478 1.0129 0.0441 -0.2208 -0.0288 281 ASP A OD1 2006 O OD2 . ASP A 305 ? 1.1027 1.2810 1.0139 0.0105 -0.2309 -0.0588 281 ASP A OD2 2007 N N . GLY A 306 ? 1.1968 1.5456 1.0329 0.1506 -0.2370 -0.0207 282 GLY A N 2008 C CA . GLY A 306 ? 1.2352 1.6201 1.0526 0.1756 -0.2474 -0.0167 282 GLY A CA 2009 C C . GLY A 306 ? 1.2793 1.6223 1.0527 0.2199 -0.2384 -0.0087 282 GLY A C 2010 O O . GLY A 306 ? 1.3053 1.6596 1.0553 0.2402 -0.2471 -0.0048 282 GLY A O 2011 N N . THR A 307 ? 1.2963 1.5906 1.0581 0.2342 -0.2220 -0.0056 283 THR A N 2012 C CA . THR A 307 ? 1.3472 1.5935 1.0675 0.2750 -0.2139 0.0013 283 THR A CA 2013 C C . THR A 307 ? 1.3748 1.6455 1.1034 0.3076 -0.2041 0.0105 283 THR A C 2014 O O . THR A 307 ? 1.3440 1.6505 1.1053 0.2939 -0.1984 0.0109 283 THR A O 2015 C CB . THR A 307 ? 1.3507 1.5014 1.0378 0.2658 -0.2032 -0.0064 283 THR A CB 2016 O OG1 . THR A 307 ? 1.3241 1.4556 1.0308 0.2458 -0.1916 -0.0110 283 THR A OG1 2017 C CG2 . THR A 307 ? 1.3527 1.4815 1.0282 0.2381 -0.2116 -0.0171 283 THR A CG2 2018 N N . THR A 308 ? 1.4411 1.6924 1.1393 0.3511 -0.2024 0.0182 284 THR A N 2019 C CA . THR A 308 ? 1.4828 1.7516 1.1836 0.3887 -0.1929 0.0235 284 THR A CA 2020 C C . THR A 308 ? 1.5596 1.7357 1.2149 0.4160 -0.1830 0.0223 284 THR A C 2021 O O . THR A 308 ? 1.6002 1.7288 1.2210 0.4293 -0.1890 0.0268 284 THR A O 2022 C CB . THR A 308 ? 1.4944 1.8439 1.2087 0.4236 -0.2031 0.0344 284 THR A CB 2023 O OG1 . THR A 308 ? 1.5309 1.8507 1.2119 0.4454 -0.2133 0.0412 284 THR A OG1 2024 C CG2 . THR A 308 ? 1.4606 1.9060 1.2208 0.3939 -0.2141 0.0363 284 THR A CG2 2025 N N . VAL A 309 ? 1.5812 1.7325 1.2359 0.4222 -0.1685 0.0169 285 VAL A N 2026 C CA . VAL A 309 ? 1.6217 1.6850 1.2343 0.4465 -0.1594 0.0140 285 VAL A CA 2027 C C . VAL A 309 ? 1.6373 1.7227 1.2504 0.4917 -0.1522 0.0132 285 VAL A C 2028 O O . VAL A 309 ? 1.6271 1.7757 1.2718 0.4897 -0.1455 0.0102 285 VAL A O 2029 C CB . VAL A 309 ? 1.6052 1.6045 1.2087 0.4129 -0.1479 0.0045 285 VAL A CB 2030 C CG1 . VAL A 309 ? 1.6448 1.5500 1.2022 0.4335 -0.1408 0.0018 285 VAL A CG1 2031 C CG2 . VAL A 309 ? 1.5834 1.5703 1.1926 0.3690 -0.1541 0.0025 285 VAL A CG2 2032 N N . VAL A 310 ? 1.6424 1.6769 1.2206 0.5327 -0.1541 0.0161 286 VAL A N 2033 C CA . VAL A 310 ? 1.6423 1.6858 1.2165 0.5804 -0.1473 0.0116 286 VAL A CA 2034 C C . VAL A 310 ? 1.6688 1.6042 1.1984 0.5956 -0.1398 0.0038 286 VAL A C 2035 O O . VAL A 310 ? 1.6865 1.5445 1.1867 0.5747 -0.1423 0.0065 286 VAL A O 2036 C CB . VAL A 310 ? 1.6718 1.7647 1.2505 0.6261 -0.1588 0.0224 286 VAL A CB 2037 C CG1 . VAL A 310 ? 1.6280 1.8386 1.2538 0.6121 -0.1659 0.0292 286 VAL A CG1 2038 C CG2 . VAL A 310 ? 1.7138 1.7420 1.2571 0.6348 -0.1713 0.0344 286 VAL A CG2 2039 N N . VAL A 311 ? 1.6769 1.6090 1.2012 0.6310 -0.1306 -0.0070 287 VAL A N 2040 C CA . VAL A 311 ? 1.7152 1.5438 1.1966 0.6472 -0.1247 -0.0166 287 VAL A CA 2041 C C . VAL A 311 ? 1.7890 1.5832 1.2461 0.7025 -0.1334 -0.0119 287 VAL A C 2042 O O . VAL A 311 ? 1.8038 1.6629 1.2800 0.7439 -0.1347 -0.0127 287 VAL A O 2043 C CB . VAL A 311 ? 1.6961 1.5314 1.1819 0.6499 -0.1090 -0.0354 287 VAL A CB 2044 C CG1 . VAL A 311 ? 1.7401 1.4622 1.1804 0.6544 -0.1040 -0.0467 287 VAL A CG1 2045 C CG2 . VAL A 311 ? 1.6259 1.5147 1.1441 0.5996 -0.1019 -0.0360 287 VAL A CG2 2046 N N . THR A 312 ? 1.8407 1.5348 1.2569 0.7034 -0.1399 -0.0054 288 THR A N 2047 C CA . THR A 312 ? 1.9220 1.5704 1.3134 0.7505 -0.1486 0.0011 288 THR A CA 2048 C C . THR A 312 ? 1.9753 1.5043 1.3230 0.7320 -0.1478 0.0008 288 THR A C 2049 O O . THR A 312 ? 1.9553 1.4364 1.2863 0.6944 -0.1483 0.0056 288 THR A O 2050 C CB . THR A 312 ? 1.9283 1.6276 1.3327 0.7598 -0.1634 0.0228 288 THR A CB 2051 O OG1 . THR A 312 ? 1.6120 1.2611 0.9956 0.7836 -0.1676 0.0288 288 THR A OG1 2052 C CG2 . THR A 312 ? 1.8990 1.5850 1.2957 0.7165 -0.1718 0.0375 288 THR A CG2 2053 N N . GLU A 313 ? 2.0434 1.5290 1.3749 0.7576 -0.1472 -0.0045 289 GLU A N 2054 C CA . GLU A 313 ? 2.1018 1.4814 1.3961 0.7416 -0.1494 -0.0016 289 GLU A CA 2055 C C . GLU A 313 ? 2.1211 1.4808 1.4046 0.7278 -0.1624 0.0247 289 GLU A C 2056 O O . GLU A 313 ? 2.1384 1.4255 1.3951 0.6967 -0.1644 0.0327 289 GLU A O 2057 C CB . GLU A 313 ? 2.1671 1.5143 1.4520 0.7766 -0.1487 -0.0125 289 GLU A CB 2058 C CG . GLU A 313 ? 2.2330 1.4772 1.4846 0.7649 -0.1548 -0.0051 289 GLU A CG 2059 C CD . GLU A 313 ? 2.3096 1.5350 1.5590 0.8071 -0.1607 -0.0059 289 GLU A CD 2060 O OE1 . GLU A 313 ? 2.3766 1.5183 1.6022 0.8014 -0.1664 -0.0007 289 GLU A OE1 2061 O OE2 . GLU A 313 ? 2.3063 1.6028 1.5795 0.8456 -0.1598 -0.0112 289 GLU A OE2 2062 N N . ASP A 314 ? 2.1189 1.5509 1.4247 0.7493 -0.1711 0.0386 290 ASP A N 2063 C CA . ASP A 314 ? 2.1418 1.5695 1.4398 0.7395 -0.1843 0.0644 290 ASP A CA 2064 C C . ASP A 314 ? 2.1131 1.5297 1.4007 0.6942 -0.1862 0.0729 290 ASP A C 2065 O O . ASP A 314 ? 2.1333 1.5266 1.4046 0.6777 -0.1953 0.0927 290 ASP A O 2066 C CB . ASP A 314 ? 2.1231 1.6461 1.4514 0.7687 -0.1930 0.0756 290 ASP A CB 2067 C CG . ASP A 314 ? 2.1754 1.7061 1.5115 0.8149 -0.1930 0.0715 290 ASP A CG 2068 O OD1 . ASP A 314 ? 2.2049 1.6917 1.5313 0.8279 -0.1839 0.0524 290 ASP A OD1 2069 O OD2 . ASP A 314 ? 2.1894 1.7721 1.5413 0.8379 -0.2026 0.0868 290 ASP A OD2 2070 N N . CYS A 315 ? 2.0674 1.5031 1.3648 0.6745 -0.1779 0.0585 291 CYS A N 2071 C CA . CYS A 315 ? 2.0342 1.4586 1.3222 0.6323 -0.1794 0.0643 291 CYS A CA 2072 C C . CYS A 315 ? 2.0703 1.3962 1.3223 0.6028 -0.1754 0.0663 291 CYS A C 2073 O O . CYS A 315 ? 2.1189 1.3877 1.3568 0.6116 -0.1700 0.0580 291 CYS A O 2074 C CB . CYS A 315 ? 1.9716 1.4462 1.2879 0.6102 -0.1686 0.0464 291 CYS A CB 2075 S SG . CYS A 315 ? 2.2201 1.7312 1.5511 0.5495 -0.1682 0.0488 291 CYS A SG 2076 N N . GLY A 316 ? 2.0441 1.3553 1.2820 0.5666 -0.1787 0.0768 292 GLY A N 2077 C CA . GLY A 316 ? 2.0683 1.2984 1.2754 0.5347 -0.1751 0.0811 292 GLY A CA 2078 C C . GLY A 316 ? 2.0399 1.2319 1.2431 0.5111 -0.1617 0.0617 292 GLY A C 2079 O O . GLY A 316 ? 2.0173 1.2364 1.2394 0.5250 -0.1545 0.0443 292 GLY A O 2080 N N . ASN A 317 ? 2.0427 1.1776 1.2228 0.4743 -0.1583 0.0655 293 ASN A N 2081 C CA . ASN A 317 ? 2.0120 1.1137 1.1887 0.4464 -0.1461 0.0487 293 ASN A CA 2082 C C . ASN A 317 ? 1.9454 1.0753 1.1315 0.4173 -0.1424 0.0461 293 ASN A C 2083 O O . ASN A 317 ? 1.9209 1.0992 1.1180 0.4082 -0.1480 0.0553 293 ASN A O 2084 C CB . ASN A 317 ? 2.0474 1.0788 1.1977 0.4209 -0.1447 0.0541 293 ASN A CB 2085 C CG . ASN A 317 ? 2.0269 1.0280 1.1752 0.3992 -0.1333 0.0354 293 ASN A CG 2086 O OD1 . ASN A 317 ? 1.9870 1.0163 1.1528 0.4067 -0.1258 0.0180 293 ASN A OD1 2087 N ND2 . ASN A 317 ? 2.0542 1.0026 1.1826 0.3716 -0.1327 0.0402 293 ASN A ND2 2088 N N . ARG A 318 ? 1.9089 1.0243 1.1002 0.3953 -0.1309 0.0301 294 ARG A N 2089 C CA . ARG A 318 ? 1.8292 0.9876 1.0450 0.3567 -0.1230 0.0226 294 ARG A CA 2090 C C . ARG A 318 ? 1.8116 0.9456 1.0081 0.3223 -0.1248 0.0347 294 ARG A C 2091 O O . ARG A 318 ? 1.8566 0.9231 1.0193 0.3125 -0.1256 0.0431 294 ARG A O 2092 C CB . ARG A 318 ? 1.8123 0.9608 1.0379 0.3427 -0.1107 0.0046 294 ARG A CB 2093 C CG . ARG A 318 ? 1.8657 0.9437 1.0619 0.3381 -0.1074 0.0013 294 ARG A CG 2094 C CD . ARG A 318 ? 1.8394 0.9211 1.0475 0.3219 -0.0957 -0.0164 294 ARG A CD 2095 N NE . ARG A 318 ? 1.8048 0.8790 1.0141 0.2778 -0.0897 -0.0156 294 ARG A NE 2096 C CZ . ARG A 318 ? 1.7486 0.8561 0.9799 0.2604 -0.0853 -0.0195 294 ARG A CZ 2097 N NH1 . ARG A 318 ? 1.7224 0.8232 0.9551 0.2224 -0.0799 -0.0188 294 ARG A NH1 2098 N NH2 . ARG A 318 ? 1.7061 0.8853 0.9742 0.2719 -0.0850 -0.0238 294 ARG A NH2 2099 N N . GLY A 319 ? 1.7440 0.9383 0.9643 0.3023 -0.1252 0.0342 295 GLY A N 2100 C CA . GLY A 319 ? 1.7254 0.9110 0.9315 0.2700 -0.1253 0.0420 295 GLY A CA 2101 C C . GLY A 319 ? 1.6516 0.8963 0.8935 0.2420 -0.1191 0.0281 295 GLY A C 2102 O O . GLY A 319 ? 1.6118 0.8924 0.8871 0.2432 -0.1141 0.0144 295 GLY A O 2103 N N . PRO A 320 ? 1.6351 0.8907 0.8702 0.2171 -0.1198 0.0318 296 PRO A N 2104 C CA . PRO A 320 ? 1.5765 0.8826 0.8440 0.1915 -0.1150 0.0170 296 PRO A CA 2105 C C . PRO A 320 ? 1.5403 0.9120 0.8460 0.2036 -0.1199 0.0075 296 PRO A C 2106 O O . PRO A 320 ? 1.5690 0.9621 0.8705 0.2269 -0.1296 0.0157 296 PRO A O 2107 C CB . PRO A 320 ? 1.5924 0.9044 0.8387 0.1754 -0.1187 0.0248 296 PRO A CB 2108 C CG . PRO A 320 ? 1.6517 0.9005 0.8531 0.1793 -0.1208 0.0447 296 PRO A CG 2109 C CD . PRO A 320 ? 1.6848 0.9059 0.8800 0.2128 -0.1257 0.0508 296 PRO A CD 2110 N N . SER A 321 ? 1.4830 0.8867 0.8260 0.1873 -0.1142 -0.0078 297 SER A N 2111 C CA . SER A 321 ? 1.4458 0.9119 0.8278 0.1933 -0.1192 -0.0159 297 SER A CA 2112 C C . SER A 321 ? 1.4488 0.9557 0.8311 0.1925 -0.1299 -0.0155 297 SER A C 2113 O O . SER A 321 ? 1.4602 0.9587 0.8248 0.1766 -0.1303 -0.0161 297 SER A O 2114 C CB . SER A 321 ? 1.3988 0.8863 0.8191 0.1694 -0.1126 -0.0300 297 SER A CB 2115 O OG . SER A 321 ? 1.3963 0.8497 0.8148 0.1672 -0.1028 -0.0302 297 SER A OG 2116 N N . LEU A 322 ? 1.4394 0.9955 0.8417 0.2094 -0.1385 -0.0148 298 LEU A N 2117 C CA . LEU A 322 ? 1.4416 1.0433 0.8456 0.2087 -0.1501 -0.0153 298 LEU A CA 2118 C C . LEU A 322 ? 1.3965 1.0588 0.8467 0.1961 -0.1546 -0.0297 298 LEU A C 2119 O O . LEU A 322 ? 1.3670 1.0408 0.8465 0.1955 -0.1501 -0.0334 298 LEU A O 2120 C CB . LEU A 322 ? 1.4846 1.0933 0.8674 0.2412 -0.1598 0.0020 298 LEU A CB 2121 C CG . LEU A 322 ? 1.5336 1.0779 0.8696 0.2546 -0.1585 0.0195 298 LEU A CG 2122 C CD1 . LEU A 322 ? 1.5722 1.1192 0.8950 0.2926 -0.1677 0.0362 298 LEU A CD1 2123 C CD2 . LEU A 322 ? 1.5492 1.0842 0.8578 0.2351 -0.1608 0.0233 298 LEU A CD2 2124 N N . ARG A 323 ? 1.3948 1.0964 0.8505 0.1847 -0.1640 -0.0374 299 ARG A N 2125 C CA . ARG A 323 ? 1.3626 1.1201 0.8610 0.1704 -0.1710 -0.0513 299 ARG A CA 2126 C C . ARG A 323 ? 1.3650 1.1796 0.8705 0.1885 -0.1846 -0.0439 299 ARG A C 2127 O O . ARG A 323 ? 1.3963 1.2111 0.8712 0.2079 -0.1905 -0.0310 299 ARG A O 2128 C CB . ARG A 323 ? 1.3567 1.1201 0.8612 0.1418 -0.1729 -0.0708 299 ARG A CB 2129 C CG . ARG A 323 ? 1.3922 1.1478 0.8566 0.1426 -0.1760 -0.0690 299 ARG A CG 2130 C CD . ARG A 323 ? 1.3887 1.1530 0.8597 0.1163 -0.1763 -0.0922 299 ARG A CD 2131 N NE . ARG A 323 ? 1.3807 1.1977 0.8843 0.1048 -0.1886 -0.1093 299 ARG A NE 2132 C CZ . ARG A 323 ? 1.3844 1.2191 0.8933 0.0854 -0.1933 -0.1328 299 ARG A CZ 2133 N NH1 . ARG A 323 ? 1.3965 1.2065 0.8810 0.0771 -0.1856 -0.1415 299 ARG A NH1 2134 N NH2 . ARG A 323 ? 1.3777 1.2568 0.9164 0.0741 -0.2060 -0.1484 299 ARG A NH2 2135 N N . THR A 324 ? 1.3330 1.1979 0.8801 0.1813 -0.1900 -0.0502 300 THR A N 2136 C CA . THR A 324 ? 1.3357 1.2653 0.8963 0.1950 -0.2033 -0.0440 300 THR A CA 2137 C C . THR A 324 ? 1.3529 1.3118 0.9009 0.1849 -0.2160 -0.0515 300 THR A C 2138 O O . THR A 324 ? 1.3819 1.3724 0.9141 0.2047 -0.2260 -0.0397 300 THR A O 2139 C CB . THR A 324 ? 1.3032 1.2833 0.9137 0.1811 -0.2067 -0.0499 300 THR A CB 2140 O OG1 . THR A 324 ? 1.2856 1.2686 0.9180 0.1457 -0.2103 -0.0694 300 THR A OG1 2141 C CG2 . THR A 324 ? 1.2862 1.2445 0.9098 0.1883 -0.1937 -0.0434 300 THR A CG2 2142 N N . THR A 325 ? 1.3351 1.2852 0.8903 0.1549 -0.2160 -0.0718 301 THR A N 2143 C CA . THR A 325 ? 1.3417 1.3209 0.8850 0.1424 -0.2274 -0.0844 301 THR A CA 2144 C C . THR A 325 ? 1.3570 1.2997 0.8512 0.1498 -0.2229 -0.0781 301 THR A C 2145 O O . THR A 325 ? 1.3547 1.2434 0.8338 0.1436 -0.2101 -0.0800 301 THR A O 2146 C CB . THR A 325 ? 1.3302 1.3151 0.9021 0.1085 -0.2299 -0.1123 301 THR A CB 2147 O OG1 . THR A 325 ? 1.3228 1.2490 0.8900 0.0980 -0.2154 -0.1197 301 THR A OG1 2148 C CG2 . THR A 325 ? 1.3086 1.3318 0.9297 0.0968 -0.2366 -0.1158 301 THR A CG2 2149 N N . THR A 326 ? 1.3699 1.3462 0.8398 0.1620 -0.2342 -0.0688 302 THR A N 2150 C CA . THR A 326 ? 1.3892 1.3415 0.8120 0.1662 -0.2324 -0.0602 302 THR A CA 2151 C C . THR A 326 ? 1.3920 1.3439 0.8115 0.1373 -0.2301 -0.0870 302 THR A C 2152 O O . THR A 326 ? 1.3669 1.3450 0.8192 0.1173 -0.2347 -0.1118 302 THR A O 2153 C CB . THR A 326 ? 1.4022 1.4015 0.8036 0.1847 -0.2475 -0.0432 302 THR A CB 2154 O OG1 . THR A 326 ? 1.3983 1.4136 0.8144 0.2122 -0.2519 -0.0239 302 THR A OG1 2155 C CG2 . THR A 326 ? 1.4336 1.4024 0.7843 0.1936 -0.2455 -0.0243 302 THR A CG2 2156 N N . ALA A 327 ? 1.4308 1.3534 0.8115 0.1350 -0.2234 -0.0823 303 ALA A N 2157 C CA . ALA A 327 ? 1.4493 1.3808 0.8221 0.1116 -0.2212 -0.1078 303 ALA A CA 2158 C C . ALA A 327 ? 1.4779 1.4763 0.8549 0.1038 -0.2376 -0.1245 303 ALA A C 2159 O O . ALA A 327 ? 1.4711 1.4872 0.8627 0.0828 -0.2395 -0.1563 303 ALA A O 2160 C CB . ALA A 327 ? 1.4769 1.3788 0.8035 0.1126 -0.2127 -0.0940 303 ALA A CB 2161 N N . SER A 328 ? 1.5173 1.5524 0.8816 0.1216 -0.2500 -0.1033 304 SER A N 2162 C CA . SER A 328 ? 1.5540 1.6588 0.9212 0.1154 -0.2673 -0.1155 304 SER A CA 2163 C C . SER A 328 ? 1.5387 1.6758 0.9555 0.1062 -0.2763 -0.1323 304 SER A C 2164 O O . SER A 328 ? 1.2108 1.4024 0.6381 0.0927 -0.2907 -0.1512 304 SER A O 2165 C CB . SER A 328 ? 1.5959 1.7311 0.9337 0.1393 -0.2782 -0.0833 304 SER A CB 2166 O OG . SER A 328 ? 1.5991 1.7196 0.9513 0.1644 -0.2781 -0.0577 304 SER A OG 2167 N N . GLY A 329 ? 1.5242 1.6297 0.9707 0.1118 -0.2685 -0.1247 305 GLY A N 2168 C CA . GLY A 329 ? 1.5193 1.6546 1.0143 0.1007 -0.2760 -0.1365 305 GLY A CA 2169 C C . GLY A 329 ? 1.5233 1.6925 1.0327 0.1238 -0.2829 -0.1107 305 GLY A C 2170 O O . GLY A 329 ? 1.5004 1.7024 1.0505 0.1156 -0.2892 -0.1156 305 GLY A O 2171 N N . LYS A 330 ? 1.5733 1.7355 1.0500 0.1528 -0.2818 -0.0826 306 LYS A N 2172 C CA . LYS A 330 ? 1.5799 1.7746 1.0674 0.1810 -0.2881 -0.0577 306 LYS A CA 2173 C C . LYS A 330 ? 1.5480 1.7084 1.0609 0.1908 -0.2755 -0.0506 306 LYS A C 2174 O O . LYS A 330 ? 1.5530 1.6477 1.0536 0.1904 -0.2604 -0.0501 306 LYS A O 2175 C CB . LYS A 330 ? 1.6227 1.8094 1.0666 0.2111 -0.2909 -0.0293 306 LYS A CB 2176 C CG . LYS A 330 ? 1.6415 1.8714 1.0945 0.2441 -0.3006 -0.0046 306 LYS A CG 2177 C CD . LYS A 330 ? 1.6876 1.8781 1.0999 0.2782 -0.2987 0.0262 306 LYS A CD 2178 C CE . LYS A 330 ? 1.7245 1.8962 1.0917 0.2675 -0.3006 0.0294 306 LYS A CE 2179 N NZ . LYS A 330 ? 1.7711 1.8914 1.0982 0.2959 -0.2983 0.0614 306 LYS A NZ 2180 N N . LEU A 331 ? 1.4998 1.7098 1.0480 0.1987 -0.2817 -0.0448 307 LEU A N 2181 C CA . LEU A 331 ? 1.4516 1.6412 1.0249 0.2079 -0.2701 -0.0383 307 LEU A CA 2182 C C . LEU A 331 ? 1.4640 1.6508 1.0228 0.2507 -0.2676 -0.0121 307 LEU A C 2183 O O . LEU A 331 ? 1.4960 1.7337 1.0511 0.2719 -0.2799 0.0015 307 LEU A O 2184 C CB . LEU A 331 ? 1.4245 1.6715 1.0491 0.1874 -0.2770 -0.0485 307 LEU A CB 2185 C CG . LEU A 331 ? 1.4165 1.6644 1.0707 0.1976 -0.2669 -0.0390 307 LEU A CG 2186 C CD1 . LEU A 331 ? 1.4101 1.5807 1.0568 0.1901 -0.2492 -0.0441 307 LEU A CD1 2187 C CD2 . LEU A 331 ? 1.3982 1.7120 1.1026 0.1734 -0.2761 -0.0458 307 LEU A CD2 2188 N N . ILE A 332 ? 1.4451 1.5719 0.9957 0.2639 -0.2523 -0.0061 308 ILE A N 2189 C CA . ILE A 332 ? 1.4478 1.5669 0.9892 0.3051 -0.2488 0.0141 308 ILE A CA 2190 C C . ILE A 332 ? 1.3961 1.5448 0.9780 0.3080 -0.2424 0.0116 308 ILE A C 2191 O O . ILE A 332 ? 1.3587 1.4863 0.9595 0.2828 -0.2329 -0.0010 308 ILE A O 2192 C CB . ILE A 332 ? 1.4797 1.5102 0.9807 0.3197 -0.2369 0.0224 308 ILE A CB 2193 C CG1 . ILE A 332 ? 1.5135 1.5142 0.9752 0.3090 -0.2414 0.0248 308 ILE A CG1 2194 C CG2 . ILE A 332 ? 1.5110 1.5303 0.9997 0.3653 -0.2362 0.0416 308 ILE A CG2 2195 C CD1 . ILE A 332 ? 1.5485 1.4660 0.9690 0.3222 -0.2321 0.0372 308 ILE A CD1 2196 N N . THR A 333 ? 1.3943 1.5957 0.9896 0.3397 -0.2476 0.0247 309 THR A N 2197 C CA . THR A 333 ? 1.3580 1.6047 0.9929 0.3437 -0.2423 0.0240 309 THR A CA 2198 C C . THR A 333 ? 1.3745 1.5885 0.9956 0.3850 -0.2309 0.0338 309 THR A C 2199 O O . THR A 333 ? 1.3507 1.5783 0.9952 0.3872 -0.2209 0.0306 309 THR A O 2200 C CB . THR A 333 ? 1.3440 1.6939 1.0128 0.3461 -0.2571 0.0291 309 THR A CB 2201 O OG1 . THR A 333 ? 1.3811 1.7519 1.0287 0.3854 -0.2666 0.0453 309 THR A OG1 2202 C CG2 . THR A 333 ? 1.3239 1.7058 1.0087 0.3022 -0.2693 0.0156 309 THR A CG2 2203 N N . GLU A 334 ? 1.4227 1.5928 1.0048 0.4173 -0.2331 0.0456 310 GLU A N 2204 C CA . GLU A 334 ? 1.4567 1.5930 1.0236 0.4607 -0.2250 0.0536 310 GLU A CA 2205 C C . GLU A 334 ? 1.4744 1.5059 1.0046 0.4579 -0.2128 0.0500 310 GLU A C 2206 O O . GLU A 334 ? 1.5014 1.4778 0.9958 0.4536 -0.2165 0.0560 310 GLU A O 2207 C CB . GLU A 334 ? 1.5083 1.6678 1.0602 0.5046 -0.2374 0.0716 310 GLU A CB 2208 C CG . GLU A 334 ? 1.4999 1.7708 1.0898 0.5118 -0.2494 0.0765 310 GLU A CG 2209 C CD . GLU A 334 ? 1.5507 1.8484 1.1249 0.5492 -0.2647 0.0958 310 GLU A CD 2210 O OE1 . GLU A 334 ? 1.5872 1.8291 1.1227 0.5511 -0.2705 0.1052 310 GLU A OE1 2211 O OE2 . GLU A 334 ? 1.5538 1.9324 1.1552 0.5766 -0.2712 0.1032 310 GLU A OE2 2212 N N . TRP A 335 ? 1.4609 1.4698 1.0002 0.4590 -0.1987 0.0411 311 TRP A N 2213 C CA . TRP A 335 ? 1.4782 1.3927 0.9857 0.4547 -0.1868 0.0364 311 TRP A CA 2214 C C . TRP A 335 ? 1.4968 1.3861 0.9962 0.4936 -0.1779 0.0355 311 TRP A C 2215 O O . TRP A 335 ? 1.4939 1.4463 1.0185 0.5197 -0.1781 0.0357 311 TRP A O 2216 C CB . TRP A 335 ? 1.4403 1.3426 0.9641 0.4087 -0.1775 0.0224 311 TRP A CB 2217 C CG . TRP A 335 ? 1.4255 1.3360 0.9520 0.3713 -0.1848 0.0188 311 TRP A CG 2218 C CD1 . TRP A 335 ? 1.4016 1.3844 0.9582 0.3534 -0.1953 0.0161 311 TRP A CD1 2219 C CD2 . TRP A 335 ? 1.4342 1.2802 0.9319 0.3473 -0.1820 0.0155 311 TRP A CD2 2220 N NE1 . TRP A 335 ? 1.3962 1.3606 0.9433 0.3215 -0.1993 0.0090 311 TRP A NE1 2221 C CE2 . TRP A 335 ? 1.4150 1.2989 0.9266 0.3180 -0.1907 0.0090 311 TRP A CE2 2222 C CE3 . TRP A 335 ? 1.4599 1.2226 0.9217 0.3470 -0.1733 0.0170 311 TRP A CE3 2223 C CZ2 . TRP A 335 ? 1.4191 1.2632 0.9099 0.2915 -0.1897 0.0029 311 TRP A CZ2 2224 C CZ3 . TRP A 335 ? 1.4613 1.1874 0.9038 0.3185 -0.1726 0.0137 311 TRP A CZ3 2225 C CH2 . TRP A 335 ? 1.4402 1.2084 0.8972 0.2925 -0.1801 0.0063 311 TRP A CH2 2226 N N . CYS A 336 ? 1.5160 1.3147 0.9799 0.4967 -0.1704 0.0333 312 CYS A N 2227 C CA . CYS A 336 ? 1.5369 1.2980 0.9868 0.5324 -0.1625 0.0289 312 CYS A CA 2228 C C . CYS A 336 ? 1.5331 1.2122 0.9594 0.5112 -0.1505 0.0190 312 CYS A C 2229 O O . CYS A 336 ? 1.5225 1.1608 0.9345 0.4760 -0.1501 0.0200 312 CYS A O 2230 C CB . CYS A 336 ? 1.6005 1.3260 1.0206 0.5773 -0.1724 0.0425 312 CYS A CB 2231 S SG . CYS A 336 ? 2.0326 1.6735 1.4062 0.5608 -0.1815 0.0584 312 CYS A SG 2232 N N . CYS A 337 ? 1.5413 1.2004 0.9635 0.5335 -0.1409 0.0085 313 CYS A N 2233 C CA . CYS A 337 ? 1.5501 1.1262 0.9442 0.5205 -0.1311 -0.0008 313 CYS A CA 2234 C C . CYS A 337 ? 1.6035 1.1374 0.9747 0.5669 -0.1291 -0.0069 313 CYS A C 2235 O O . CYS A 337 ? 1.6184 1.2056 1.0065 0.6052 -0.1307 -0.0086 313 CYS A O 2236 C CB . CYS A 337 ? 1.4942 1.0999 0.9142 0.4869 -0.1189 -0.0135 313 CYS A CB 2237 S SG . CYS A 337 ? 1.3900 1.0763 0.8438 0.5123 -0.1104 -0.0245 313 CYS A SG 2238 N N . ARG A 338 ? 1.6360 1.0752 0.9694 0.5639 -0.1260 -0.0112 314 ARG A N 2239 C CA . ARG A 338 ? 1.6985 1.0816 1.0049 0.6079 -0.1264 -0.0183 314 ARG A CA 2240 C C . ARG A 338 ? 1.6860 1.0832 1.0011 0.6154 -0.1127 -0.0412 314 ARG A C 2241 O O . ARG A 338 ? 1.7222 1.1180 1.0324 0.6544 -0.1107 -0.0524 314 ARG A O 2242 C CB . ARG A 338 ? 1.7476 1.0299 1.0132 0.5904 -0.1297 -0.0118 314 ARG A CB 2243 C CG . ARG A 338 ? 1.8167 1.0671 1.0678 0.6190 -0.1354 -0.0082 314 ARG A CG 2244 C CD . ARG A 338 ? 1.8568 1.0378 1.0797 0.5952 -0.1430 0.0092 314 ARG A CD 2245 N NE . ARG A 338 ? 1.8674 0.9808 1.0682 0.5586 -0.1365 0.0018 314 ARG A NE 2246 C CZ . ARG A 338 ? 1.9002 0.9531 1.0772 0.5327 -0.1412 0.0150 314 ARG A CZ 2247 N NH1 . ARG A 338 ? 1.9049 0.9080 1.0663 0.4991 -0.1352 0.0079 314 ARG A NH1 2248 N NH2 . ARG A 338 ? 1.9277 0.9754 1.0979 0.5398 -0.1522 0.0367 314 ARG A NH2 2249 N N . SER A 339 ? 1.6332 1.0527 0.9642 0.5731 -0.1028 -0.0483 315 SER A N 2250 C CA . SER A 339 ? 1.6242 1.0575 0.9609 0.5736 -0.0897 -0.0683 315 SER A CA 2251 C C . SER A 339 ? 1.5554 1.0575 0.9283 0.5315 -0.0812 -0.0691 315 SER A C 2252 O O . SER A 339 ? 1.5401 1.0598 0.9190 0.5258 -0.0704 -0.0828 315 SER A O 2253 C CB . SER A 339 ? 1.6672 0.9969 0.9608 0.5688 -0.0865 -0.0797 315 SER A CB 2254 O OG . SER A 339 ? 1.7293 1.0104 1.0000 0.5925 -0.0939 -0.0773 315 SER A OG 2255 N N . CYS A 340 ? 1.5159 1.0562 0.9123 0.5026 -0.0868 -0.0547 316 CYS A N 2256 C CA . CYS A 340 ? 1.4547 1.0535 0.8870 0.4618 -0.0811 -0.0538 316 CYS A CA 2257 C C . CYS A 340 ? 1.4313 1.1226 0.8991 0.4750 -0.0748 -0.0588 316 CYS A C 2258 O O . CYS A 340 ? 1.4598 1.1827 0.9289 0.5170 -0.0756 -0.0624 316 CYS A O 2259 C CB . CYS A 340 ? 1.4190 1.0434 0.8704 0.4343 -0.0902 -0.0400 316 CYS A CB 2260 S SG . CYS A 340 ? 2.7327 2.4608 2.2233 0.4536 -0.0992 -0.0310 316 CYS A SG 2261 N N . THR A 341 ? 1.3805 1.1171 0.8780 0.4393 -0.0688 -0.0578 317 THR A N 2262 C CA . THR A 341 ? 1.3558 1.1841 0.8879 0.4449 -0.0624 -0.0594 317 THR A CA 2263 C C . THR A 341 ? 1.3031 1.2110 0.8816 0.4169 -0.0682 -0.0455 317 THR A C 2264 O O . THR A 341 ? 1.0478 0.9612 0.6455 0.3755 -0.0670 -0.0406 317 THR A O 2265 C CB . THR A 341 ? 1.3482 1.1716 0.8767 0.4296 -0.0499 -0.0692 317 THR A CB 2266 O OG1 . THR A 341 ? 1.1055 0.8844 0.6321 0.3853 -0.0496 -0.0648 317 THR A OG1 2267 C CG2 . THR A 341 ? 1.1915 0.9559 0.6783 0.4644 -0.0440 -0.0869 317 THR A CG2 2268 N N . LEU A 342 ? 1.3111 1.2796 0.9079 0.4404 -0.0754 -0.0394 318 LEU A N 2269 C CA . LEU A 342 ? 1.2756 1.3272 0.9174 0.4169 -0.0825 -0.0271 318 LEU A CA 2270 C C . LEU A 342 ? 1.2365 1.3493 0.9116 0.3903 -0.0743 -0.0242 318 LEU A C 2271 O O . LEU A 342 ? 1.2523 1.3862 0.9226 0.4090 -0.0634 -0.0313 318 LEU A O 2272 C CB . LEU A 342 ? 1.2973 1.4150 0.9520 0.4541 -0.0895 -0.0226 318 LEU A CB 2273 C CG . LEU A 342 ? 1.2720 1.4666 0.9653 0.4365 -0.1016 -0.0098 318 LEU A CG 2274 C CD1 . LEU A 342 ? 1.3052 1.5221 0.9912 0.4777 -0.1112 -0.0061 318 LEU A CD1 2275 C CD2 . LEU A 342 ? 1.2371 1.5318 0.9758 0.4196 -0.0977 -0.0034 318 LEU A CD2 2276 N N . PRO A 343 ? 1.1953 1.3362 0.9035 0.3466 -0.0799 -0.0139 319 PRO A N 2277 C CA . PRO A 343 ? 1.1759 1.2958 0.8919 0.3206 -0.0924 -0.0088 319 PRO A CA 2278 C C . PRO A 343 ? 1.1843 1.2035 0.8648 0.3092 -0.0920 -0.0156 319 PRO A C 2279 O O . PRO A 343 ? 1.1852 1.1579 0.8488 0.3012 -0.0825 -0.0209 319 PRO A O 2280 C CB . PRO A 343 ? 1.1372 1.3110 0.8989 0.2769 -0.0953 0.0013 319 PRO A CB 2281 C CG . PRO A 343 ? 1.1311 1.3846 0.9151 0.2877 -0.0876 0.0066 319 PRO A CG 2282 C CD . PRO A 343 ? 1.1621 1.3746 0.9080 0.3216 -0.0748 -0.0056 319 PRO A CD 2283 N N . PRO A 344 ? 1.1806 1.1721 0.8500 0.3073 -0.1024 -0.0149 320 PRO A N 2284 C CA . PRO A 344 ? 1.2007 1.1028 0.8319 0.3031 -0.1026 -0.0199 320 PRO A CA 2285 C C . PRO A 344 ? 1.1702 1.0388 0.8098 0.2606 -0.1010 -0.0217 320 PRO A C 2286 O O . PRO A 344 ? 1.1389 1.0507 0.8164 0.2321 -0.1043 -0.0182 320 PRO A O 2287 C CB . PRO A 344 ? 1.2153 1.1236 0.8390 0.3144 -0.1154 -0.0161 320 PRO A CB 2288 C CG . PRO A 344 ? 1.1843 1.1784 0.8528 0.2997 -0.1235 -0.0109 320 PRO A CG 2289 C CD . PRO A 344 ? 1.1706 1.2222 0.8643 0.3068 -0.1154 -0.0085 320 PRO A CD 2290 N N . LEU A 345 ? 1.1886 0.9800 0.7936 0.2570 -0.0966 -0.0265 321 LEU A N 2291 C CA . LEU A 345 ? 1.1694 0.9258 0.7791 0.2210 -0.0948 -0.0289 321 LEU A CA 2292 C C . LEU A 345 ? 1.1683 0.9277 0.7847 0.2057 -0.1055 -0.0296 321 LEU A C 2293 O O . LEU A 345 ? 1.1963 0.9277 0.7835 0.2198 -0.1102 -0.0297 321 LEU A O 2294 C CB . LEU A 345 ? 1.2028 0.8812 0.7717 0.2230 -0.0869 -0.0333 321 LEU A CB 2295 C CG . LEU A 345 ? 1.1932 0.8394 0.7661 0.1915 -0.0803 -0.0356 321 LEU A CG 2296 C CD1 . LEU A 345 ? 1.2275 0.8036 0.7573 0.1981 -0.0734 -0.0392 321 LEU A CD1 2297 C CD2 . LEU A 345 ? 1.1795 0.8225 0.7683 0.1636 -0.0863 -0.0367 321 LEU A CD2 2298 N N . ARG A 346 ? 1.1414 0.9338 0.7953 0.1764 -0.1100 -0.0301 322 ARG A N 2299 C CA . ARG A 346 ? 1.1420 0.9366 0.8027 0.1598 -0.1203 -0.0351 322 ARG A CA 2300 C C . ARG A 346 ? 1.1243 0.8915 0.7996 0.1268 -0.1188 -0.0415 322 ARG A C 2301 O O . ARG A 346 ? 1.1021 0.8676 0.7964 0.1123 -0.1126 -0.0387 322 ARG A O 2302 C CB . ARG A 346 ? 1.1267 0.9923 0.8201 0.1585 -0.1320 -0.0325 322 ARG A CB 2303 C CG . ARG A 346 ? 1.0893 1.0007 0.8302 0.1336 -0.1338 -0.0287 322 ARG A CG 2304 C CD . ARG A 346 ? 1.0792 1.0544 0.8506 0.1253 -0.1479 -0.0277 322 ARG A CD 2305 N NE . ARG A 346 ? 1.0530 1.0675 0.8712 0.0958 -0.1519 -0.0225 322 ARG A NE 2306 C CZ . ARG A 346 ? 1.0491 1.1197 0.9007 0.0801 -0.1649 -0.0205 322 ARG A CZ 2307 N NH1 . ARG A 346 ? 1.0618 1.1604 0.9053 0.0919 -0.1750 -0.0245 322 ARG A NH1 2308 N NH2 . ARG A 346 ? 1.0362 1.1357 0.9296 0.0510 -0.1688 -0.0133 322 ARG A NH2 2309 N N . TYR A 347 ? 1.1428 0.8910 0.8085 0.1167 -0.1247 -0.0501 323 TYR A N 2310 C CA . TYR A 347 ? 1.1418 0.8666 0.8218 0.0890 -0.1242 -0.0591 323 TYR A CA 2311 C C . TYR A 347 ? 1.1753 0.9338 0.8823 0.0730 -0.1373 -0.0685 323 TYR A C 2312 O O . TYR A 347 ? 1.1856 0.9606 0.8781 0.0826 -0.1452 -0.0723 323 TYR A O 2313 C CB . TYR A 347 ? 1.1463 0.8162 0.7874 0.0905 -0.1182 -0.0644 323 TYR A CB 2314 C CG . TYR A 347 ? 1.1534 0.7845 0.7603 0.1071 -0.1078 -0.0562 323 TYR A CG 2315 C CD1 . TYR A 347 ? 1.1419 0.7425 0.7488 0.0960 -0.0979 -0.0551 323 TYR A CD1 2316 C CD2 . TYR A 347 ? 1.1815 0.8047 0.7558 0.1338 -0.1088 -0.0500 323 TYR A CD2 2317 C CE1 . TYR A 347 ? 1.1590 0.7223 0.7333 0.1089 -0.0895 -0.0498 323 TYR A CE1 2318 C CE2 . TYR A 347 ? 1.2009 0.7818 0.7432 0.1485 -0.1007 -0.0445 323 TYR A CE2 2319 C CZ . TYR A 347 ? 1.1853 0.7362 0.7272 0.1348 -0.0911 -0.0454 323 TYR A CZ 2320 O OH . TYR A 347 ? 1.2009 0.7084 0.7100 0.1472 -0.0840 -0.0420 323 TYR A OH 2321 N N . ARG A 348 ? 1.1975 0.9654 0.9434 0.0483 -0.1406 -0.0720 324 ARG A N 2322 C CA . ARG A 348 ? 1.2340 1.0254 1.0063 0.0298 -0.1541 -0.0842 324 ARG A CA 2323 C C . ARG A 348 ? 1.2576 1.0087 1.0314 0.0130 -0.1532 -0.1002 324 ARG A C 2324 O O . ARG A 348 ? 1.2530 0.9807 1.0443 0.0008 -0.1475 -0.0980 324 ARG A O 2325 C CB . ARG A 348 ? 1.2223 1.0577 1.0420 0.0132 -0.1620 -0.0761 324 ARG A CB 2326 C CG . ARG A 348 ? 1.2190 1.1074 1.0420 0.0296 -0.1635 -0.0615 324 ARG A CG 2327 C CD . ARG A 348 ? 1.2000 1.1403 1.0714 0.0085 -0.1732 -0.0532 324 ARG A CD 2328 N NE . ARG A 348 ? 1.1824 1.1064 1.0815 -0.0122 -0.1691 -0.0455 324 ARG A NE 2329 C CZ . ARG A 348 ? 1.1731 1.1341 1.1155 -0.0348 -0.1765 -0.0339 324 ARG A CZ 2330 N NH1 . ARG A 348 ? 1.1634 1.1059 1.1283 -0.0525 -0.1730 -0.0245 324 ARG A NH1 2331 N NH2 . ARG A 348 ? 1.1753 1.1941 1.1391 -0.0408 -0.1882 -0.0299 324 ARG A NH2 2332 N N . GLY A 349 ? 1.2881 1.0350 1.0435 0.0135 -0.1586 -0.1163 325 GLY A N 2333 C CA . GLY A 349 ? 1.3105 1.0249 1.0648 0.0011 -0.1570 -0.1344 325 GLY A CA 2334 C C . GLY A 349 ? 1.3434 1.0747 1.1032 -0.0085 -0.1696 -0.1567 325 GLY A C 2335 O O . GLY A 349 ? 1.3563 1.1243 1.1384 -0.0159 -0.1826 -0.1591 325 GLY A O 2336 N N . GLU A 350 ? 1.3652 1.0729 1.1042 -0.0092 -0.1658 -0.1738 326 GLU A N 2337 C CA . GLU A 350 ? 1.3878 1.1087 1.1285 -0.0182 -0.1762 -0.2001 326 GLU A CA 2338 C C . GLU A 350 ? 1.4008 1.1599 1.1168 -0.0086 -0.1850 -0.2000 326 GLU A C 2339 O O . GLU A 350 ? 1.4096 1.2029 1.1460 -0.0178 -0.1994 -0.2085 326 GLU A O 2340 C CB . GLU A 350 ? 1.4035 1.0955 1.1232 -0.0176 -0.1671 -0.2168 326 GLU A CB 2341 C CG . GLU A 350 ? 1.4285 1.1272 1.1595 -0.0289 -0.1764 -0.2496 326 GLU A CG 2342 C CD . GLU A 350 ? 1.4280 1.1074 1.2071 -0.0449 -0.1818 -0.2614 326 GLU A CD 2343 O OE1 . GLU A 350 ? 1.4073 1.0649 1.2061 -0.0467 -0.1750 -0.2436 326 GLU A OE1 2344 O OE2 . GLU A 350 ? 1.4519 1.1370 1.2486 -0.0557 -0.1936 -0.2885 326 GLU A OE2 2345 N N . ASP A 351 ? 1.4020 1.1553 1.0742 0.0090 -0.1771 -0.1890 327 ASP A N 2346 C CA . ASP A 351 ? 1.4043 1.1918 1.0487 0.0207 -0.1851 -0.1858 327 ASP A CA 2347 C C . ASP A 351 ? 1.3906 1.2121 1.0464 0.0311 -0.1922 -0.1663 327 ASP A C 2348 O O . ASP A 351 ? 1.4138 1.2673 1.0495 0.0434 -0.1998 -0.1603 327 ASP A O 2349 C CB . ASP A 351 ? 1.4137 1.1807 1.0081 0.0356 -0.1754 -0.1760 327 ASP A CB 2350 C CG . ASP A 351 ? 1.3946 1.1204 0.9781 0.0449 -0.1611 -0.1556 327 ASP A CG 2351 O OD1 . ASP A 351 ? 1.3710 1.0955 0.9778 0.0477 -0.1598 -0.1433 327 ASP A OD1 2352 O OD2 . ASP A 351 ? 1.4044 1.1018 0.9555 0.0480 -0.1514 -0.1519 327 ASP A OD2 2353 N N . GLY A 352 ? 1.3490 1.1679 1.0373 0.0270 -0.1897 -0.1556 328 GLY A N 2354 C CA . GLY A 352 ? 1.3270 1.1851 1.0304 0.0365 -0.1952 -0.1382 328 GLY A CA 2355 C C . GLY A 352 ? 1.3066 1.1447 1.0004 0.0545 -0.1824 -0.1164 328 GLY A C 2356 O O . GLY A 352 ? 1.3046 1.0989 0.9926 0.0518 -0.1705 -0.1150 328 GLY A O 2357 N N . CYS A 353 ? 1.2919 1.1640 0.9837 0.0737 -0.1852 -0.1005 329 CYS A N 2358 C CA . CYS A 353 ? 1.2631 1.1213 0.9471 0.0931 -0.1741 -0.0827 329 CYS A CA 2359 C C . CYS A 353 ? 1.2663 1.0838 0.9010 0.1169 -0.1663 -0.0750 329 CYS A C 2360 O O . CYS A 353 ? 1.2870 1.1076 0.8948 0.1252 -0.1723 -0.0762 329 CYS A O 2361 C CB . CYS A 353 ? 1.2551 1.1718 0.9614 0.1053 -0.1800 -0.0704 329 CYS A CB 2362 S SG . CYS A 353 ? 2.3214 2.2360 2.0373 0.1194 -0.1669 -0.0546 329 CYS A SG 2363 N N . TRP A 354 ? 1.2479 1.0271 0.8707 0.1258 -0.1537 -0.0665 330 TRP A N 2364 C CA . TRP A 354 ? 1.2547 0.9906 0.8326 0.1480 -0.1470 -0.0570 330 TRP A CA 2365 C C . TRP A 354 ? 1.2493 0.9836 0.8270 0.1699 -0.1404 -0.0456 330 TRP A C 2366 O O . TRP A 354 ? 1.2223 0.9810 0.8321 0.1626 -0.1374 -0.0454 330 TRP A O 2367 C CB . TRP A 354 ? 1.2384 0.9174 0.7955 0.1336 -0.1373 -0.0621 330 TRP A CB 2368 C CG . TRP A 354 ? 1.2196 0.8981 0.7723 0.1151 -0.1414 -0.0753 330 TRP A CG 2369 C CD1 . TRP A 354 ? 1.1915 0.8974 0.7767 0.0939 -0.1476 -0.0910 330 TRP A CD1 2370 C CD2 . TRP A 354 ? 1.2343 0.8834 0.7475 0.1158 -0.1394 -0.0750 330 TRP A CD2 2371 N NE1 . TRP A 354 ? 1.2019 0.8991 0.7695 0.0838 -0.1491 -0.1034 330 TRP A NE1 2372 C CE2 . TRP A 354 ? 1.2270 0.8931 0.7505 0.0963 -0.1436 -0.0926 330 TRP A CE2 2373 C CE3 . TRP A 354 ? 1.2595 0.8696 0.7295 0.1302 -0.1349 -0.0609 330 TRP A CE3 2374 C CZ2 . TRP A 354 ? 1.2466 0.8996 0.7383 0.0915 -0.1423 -0.0968 330 TRP A CZ2 2375 C CZ3 . TRP A 354 ? 1.2799 0.8745 0.7191 0.1228 -0.1345 -0.0619 330 TRP A CZ3 2376 C CH2 . TRP A 354 ? 1.2721 0.8918 0.7220 0.1040 -0.1375 -0.0797 330 TRP A CH2 2377 N N . TYR A 355 ? 1.2756 0.9807 0.8166 0.1967 -0.1384 -0.0361 331 TYR A N 2378 C CA . TYR A 355 ? 1.2740 0.9708 0.8100 0.2206 -0.1316 -0.0290 331 TYR A CA 2379 C C . TYR A 355 ? 1.2847 0.9103 0.7872 0.2222 -0.1211 -0.0278 331 TYR A C 2380 O O . TYR A 355 ? 1.3044 0.8872 0.7801 0.2116 -0.1204 -0.0278 331 TYR A O 2381 C CB . TYR A 355 ? 1.2978 1.0222 0.8238 0.2555 -0.1392 -0.0197 331 TYR A CB 2382 C CG . TYR A 355 ? 1.2721 1.0755 0.8389 0.2592 -0.1452 -0.0193 331 TYR A CG 2383 C CD1 . TYR A 355 ? 1.2371 1.0696 0.8382 0.2458 -0.1391 -0.0223 331 TYR A CD1 2384 C CD2 . TYR A 355 ? 1.2834 1.1362 0.8551 0.2740 -0.1576 -0.0140 331 TYR A CD2 2385 C CE1 . TYR A 355 ? 1.2177 1.1260 0.8569 0.2459 -0.1448 -0.0196 331 TYR A CE1 2386 C CE2 . TYR A 355 ? 1.2623 1.1923 0.8727 0.2747 -0.1635 -0.0126 331 TYR A CE2 2387 C CZ . TYR A 355 ? 1.2295 1.1868 0.8738 0.2598 -0.1569 -0.0152 331 TYR A CZ 2388 O OH . TYR A 355 ? 1.2115 1.2493 0.8952 0.2575 -0.1630 -0.0115 331 TYR A OH 2389 N N . GLY A 356 ? 1.2720 0.8887 0.7761 0.2341 -0.1130 -0.0273 332 GLY A N 2390 C CA . GLY A 356 ? 1.2907 0.8420 0.7639 0.2348 -0.1037 -0.0277 332 GLY A CA 2391 C C . GLY A 356 ? 1.3457 0.8435 0.7734 0.2543 -0.1071 -0.0203 332 GLY A C 2392 O O . GLY A 356 ? 1.3689 0.8839 0.7889 0.2753 -0.1163 -0.0134 332 GLY A O 2393 N N . MET A 357 ? 1.3730 0.8066 0.7710 0.2461 -0.1006 -0.0203 333 MET A N 2394 C CA . MET A 357 ? 1.4287 0.8023 0.7819 0.2585 -0.1042 -0.0109 333 MET A CA 2395 C C . MET A 357 ? 1.4694 0.8342 0.8075 0.2994 -0.1091 -0.0058 333 MET A C 2396 O O . MET A 357 ? 1.5148 0.8476 0.8234 0.3162 -0.1169 0.0058 333 MET A O 2397 C CB . MET A 357 ? 1.4456 0.7551 0.7738 0.2403 -0.0961 -0.0126 333 MET A CB 2398 C CG . MET A 357 ? 1.4064 0.7230 0.7489 0.2027 -0.0906 -0.0174 333 MET A CG 2399 S SD . MET A 357 ? 1.7499 0.9961 1.0612 0.1817 -0.0823 -0.0169 333 MET A SD 2400 C CE . MET A 357 ? 1.8776 1.0649 1.1385 0.1946 -0.0903 -0.0011 333 MET A CE 2401 N N . GLU A 358 ? 1.4521 0.8480 0.8114 0.3161 -0.1047 -0.0139 334 GLU A N 2402 C CA . GLU A 358 ? 1.4838 0.8765 0.8325 0.3584 -0.1077 -0.0128 334 GLU A CA 2403 C C . GLU A 358 ? 1.4762 0.9264 0.8406 0.3805 -0.1184 -0.0044 334 GLU A C 2404 O O . GLU A 358 ? 1.5159 0.9609 0.8680 0.4188 -0.1238 0.0005 334 GLU A O 2405 C CB . GLU A 358 ? 1.4656 0.8859 0.8340 0.3678 -0.0983 -0.0256 334 GLU A CB 2406 C CG . GLU A 358 ? 1.4313 0.8397 0.8076 0.3327 -0.0880 -0.0338 334 GLU A CG 2407 C CD . GLU A 358 ? 1.4699 0.7926 0.8060 0.3229 -0.0847 -0.0354 334 GLU A CD 2408 O OE1 . GLU A 358 ? 1.4404 0.7484 0.7789 0.2883 -0.0794 -0.0370 334 GLU A OE1 2409 O OE2 . GLU A 358 ? 1.5319 0.8020 0.8350 0.3497 -0.0879 -0.0348 334 GLU A OE2 2410 N N . ILE A 359 ? 1.4265 0.9313 0.8186 0.3567 -0.1220 -0.0034 335 ILE A N 2411 C CA . ILE A 359 ? 1.4134 0.9838 0.8252 0.3724 -0.1327 0.0030 335 ILE A CA 2412 C C . ILE A 359 ? 1.4279 0.9810 0.8154 0.3703 -0.1434 0.0151 335 ILE A C 2413 O O . ILE A 359 ? 1.4141 0.9518 0.7953 0.3386 -0.1430 0.0140 335 ILE A O 2414 C CB . ILE A 359 ? 1.3579 1.0037 0.8162 0.3470 -0.1326 -0.0038 335 ILE A CB 2415 C CG1 . ILE A 359 ? 1.3289 0.9832 0.8088 0.3351 -0.1206 -0.0135 335 ILE A CG1 2416 C CG2 . ILE A 359 ? 1.3546 1.0766 0.8371 0.3678 -0.1427 0.0016 335 ILE A CG2 2417 C CD1 . ILE A 359 ? 1.3494 1.0195 0.8308 0.3703 -0.1159 -0.0155 335 ILE A CD1 2418 N N . ARG A 360 ? 1.4559 1.0152 0.8301 0.4052 -0.1532 0.0269 336 ARG A N 2419 C CA . ARG A 360 ? 1.4764 1.0290 0.8280 0.4056 -0.1648 0.0415 336 ARG A CA 2420 C C . ARG A 360 ? 1.4576 1.0906 0.8331 0.4251 -0.1765 0.0473 336 ARG A C 2421 O O . ARG A 360 ? 1.4430 1.1230 0.8455 0.4462 -0.1753 0.0428 336 ARG A O 2422 C CB . ARG A 360 ? 1.5513 1.0233 0.8574 0.4285 -0.1680 0.0558 336 ARG A CB 2423 C CG . ARG A 360 ? 1.5712 0.9625 0.8529 0.4115 -0.1572 0.0502 336 ARG A CG 2424 C CD . ARG A 360 ? 1.5578 0.9294 0.8282 0.3681 -0.1539 0.0504 336 ARG A CD 2425 N NE . ARG A 360 ? 1.4985 0.9232 0.8056 0.3380 -0.1472 0.0341 336 ARG A NE 2426 C CZ . ARG A 360 ? 1.4795 0.8957 0.7861 0.3013 -0.1421 0.0284 336 ARG A CZ 2427 N NH1 . ARG A 360 ? 1.4299 0.8920 0.7726 0.2779 -0.1375 0.0137 336 ARG A NH1 2428 N NH2 . ARG A 360 ? 1.5116 0.8741 0.7826 0.2880 -0.1418 0.0381 336 ARG A NH2 2429 N N . PRO A 361 ? 1.4572 1.1129 0.8238 0.4167 -0.1878 0.0570 337 PRO A N 2430 C CA . PRO A 361 ? 1.4474 1.1823 0.8355 0.4357 -0.2003 0.0634 337 PRO A CA 2431 C C . PRO A 361 ? 1.4944 1.2186 0.8677 0.4859 -0.2071 0.0793 337 PRO A C 2432 O O . PRO A 361 ? 1.5433 1.1915 0.8795 0.5019 -0.2071 0.0903 337 PRO A O 2433 C CB . PRO A 361 ? 1.4550 1.2052 0.8282 0.4135 -0.2105 0.0697 337 PRO A CB 2434 C CG . PRO A 361 ? 1.4402 1.1402 0.7996 0.3759 -0.2005 0.0596 337 PRO A CG 2435 C CD . PRO A 361 ? 1.4606 1.0854 0.8022 0.3859 -0.1891 0.0600 337 PRO A CD 2436 N N . LEU A 362 ? 1.4793 1.2795 0.8825 0.5104 -0.2133 0.0807 338 LEU A N 2437 C CA . LEU A 362 ? 1.5237 1.3233 0.9200 0.5630 -0.2191 0.0932 338 LEU A CA 2438 C C . LEU A 362 ? 1.5812 1.3588 0.9451 0.5826 -0.2342 0.1172 338 LEU A C 2439 O O . LEU A 362 ? 1.6372 1.3421 0.9689 0.6109 -0.2360 0.1294 338 LEU A O 2440 C CB . LEU A 362 ? 1.4917 1.3918 0.9323 0.5817 -0.2218 0.0890 338 LEU A CB 2441 C CG . LEU A 362 ? 1.5325 1.4487 0.9756 0.6398 -0.2255 0.0975 338 LEU A CG 2442 C CD1 . LEU A 362 ? 1.5749 1.4007 0.9916 0.6639 -0.2149 0.0914 338 LEU A CD1 2443 C CD2 . LEU A 362 ? 1.4884 1.5106 0.9801 0.6488 -0.2239 0.0897 338 LEU A CD2 2444 N N . LYS A 363 ? 1.5703 1.4104 0.9424 0.5664 -0.2459 0.1242 339 LYS A N 2445 C CA . LYS A 363 ? 1.6218 1.4599 0.9669 0.5847 -0.2620 0.1492 339 LYS A CA 2446 C C . LYS A 363 ? 1.6355 1.4512 0.9537 0.5441 -0.2649 0.1532 339 LYS A C 2447 O O . LYS A 363 ? 1.6839 1.4596 0.9674 0.5511 -0.2727 0.1748 339 LYS A O 2448 C CB . LYS A 363 ? 1.6003 1.5418 0.9759 0.6044 -0.2752 0.1563 339 LYS A CB 2449 C CG . LYS A 363 ? 1.5848 1.5686 0.9958 0.6392 -0.2696 0.1494 339 LYS A CG 2450 C CD . LYS A 363 ? 1.5458 1.6491 0.9981 0.6390 -0.2792 0.1485 339 LYS A CD 2451 C CE . LYS A 363 ? 1.5323 1.6860 1.0218 0.6682 -0.2715 0.1397 339 LYS A CE 2452 N NZ . LYS A 363 ? 1.4966 1.7711 1.0297 0.6606 -0.2798 0.1383 339 LYS A NZ 2453 N N . GLU A 364 ? 1.5959 1.4396 0.9328 0.5006 -0.2578 0.1321 340 GLU A N 2454 C CA . GLU A 364 ? 1.6076 1.4396 0.9227 0.4620 -0.2591 0.1307 340 GLU A CA 2455 C C . GLU A 364 ? 1.6516 1.3854 0.9266 0.4531 -0.2506 0.1381 340 GLU A C 2456 O O . GLU A 364 ? 1.6511 1.3266 0.9242 0.4604 -0.2393 0.1323 340 GLU A O 2457 C CB . GLU A 364 ? 1.5474 1.4229 0.8944 0.4206 -0.2526 0.1032 340 GLU A CB 2458 C CG . GLU A 364 ? 1.5422 1.4220 0.8713 0.3837 -0.2551 0.0973 340 GLU A CG 2459 C CD . GLU A 364 ? 1.3748 1.3223 0.6986 0.3874 -0.2726 0.1077 340 GLU A CD 2460 O OE1 . GLU A 364 ? 1.3954 1.4046 0.7433 0.4096 -0.2826 0.1128 340 GLU A OE1 2461 O OE2 . GLU A 364 ? 1.4427 1.3863 0.7381 0.3680 -0.2764 0.1110 340 GLU A OE2 2462 N N . LYS A 365 ? 1.6929 1.4127 0.9351 0.4361 -0.2565 0.1513 341 LYS A N 2463 C CA . LYS A 365 ? 1.7397 1.3745 0.9434 0.4220 -0.2495 0.1609 341 LYS A CA 2464 C C . LYS A 365 ? 1.7038 1.3252 0.9177 0.3809 -0.2343 0.1354 341 LYS A C 2465 O O . LYS A 365 ? 1.6560 1.3351 0.8923 0.3558 -0.2337 0.1164 341 LYS A O 2466 C CB . LYS A 365 ? 1.7843 1.4201 0.9504 0.4167 -0.2613 0.1861 341 LYS A CB 2467 C CG . LYS A 365 ? 1.8278 1.3781 0.9517 0.4035 -0.2564 0.2027 341 LYS A CG 2468 C CD . LYS A 365 ? 1.8709 1.4366 0.9719 0.3952 -0.2656 0.2294 341 LYS A CD 2469 C CE . LYS A 365 ? 1.9149 1.4046 0.9868 0.3759 -0.2586 0.2469 341 LYS A CE 2470 N NZ . LYS A 365 ? 1.9610 1.4706 1.0127 0.3663 -0.2678 0.2764 341 LYS A NZ 2471 N N . GLU A 366 ? 1.7354 1.2799 0.9332 0.3745 -0.2228 0.1347 342 GLU A N 2472 C CA . GLU A 366 ? 1.7116 1.2412 0.9214 0.3392 -0.2080 0.1117 342 GLU A CA 2473 C C . GLU A 366 ? 1.7134 1.2604 0.9089 0.3037 -0.2071 0.1081 342 GLU A C 2474 O O . GLU A 366 ? 1.6692 1.2370 0.8861 0.2757 -0.1984 0.0847 342 GLU A O 2475 C CB . GLU A 366 ? 1.7396 1.1844 0.9323 0.3404 -0.1974 0.1137 342 GLU A CB 2476 C CG . GLU A 366 ? 1.7502 1.1786 0.9588 0.3734 -0.1953 0.1097 342 GLU A CG 2477 C CD . GLU A 366 ? 1.7670 1.1179 0.9618 0.3684 -0.1838 0.1046 342 GLU A CD 2478 O OE1 . GLU A 366 ? 1.8010 1.1141 0.9897 0.3997 -0.1845 0.1079 342 GLU A OE1 2479 O OE2 . GLU A 366 ? 1.7465 1.0762 0.9368 0.3338 -0.1742 0.0959 342 GLU A OE2 2480 N N . GLU A 367 ? 1.7638 1.3036 0.9232 0.3059 -0.2162 0.1317 343 GLU A N 2481 C CA . GLU A 367 ? 1.7657 1.3259 0.9067 0.2743 -0.2151 0.1299 343 GLU A CA 2482 C C . GLU A 367 ? 1.7227 1.3666 0.8909 0.2610 -0.2193 0.1072 343 GLU A C 2483 O O . GLU A 367 ? 1.7077 1.3730 0.8742 0.2319 -0.2142 0.0910 343 GLU A O 2484 C CB . GLU A 367 ? 1.8318 1.3750 0.9282 0.2814 -0.2258 0.1639 343 GLU A CB 2485 C CG . GLU A 367 ? 1.8843 1.3381 0.9484 0.2854 -0.2224 0.1871 343 GLU A CG 2486 C CD . GLU A 367 ? 1.9450 1.3855 0.9659 0.2788 -0.2310 0.2201 343 GLU A CD 2487 O OE1 . GLU A 367 ? 1.9420 1.4457 0.9548 0.2680 -0.2375 0.2222 343 GLU A OE1 2488 O OE2 . GLU A 367 ? 1.9908 1.3690 1.0020 0.2783 -0.2279 0.2401 343 GLU A OE2 2489 N N . ASN A 368 ? 1.7097 1.4018 0.9032 0.2826 -0.2292 0.1051 344 ASN A N 2490 C CA . ASN A 368 ? 1.6732 1.4446 0.8937 0.2700 -0.2358 0.0840 344 ASN A CA 2491 C C . ASN A 368 ? 1.6096 1.3885 0.8674 0.2457 -0.2248 0.0511 344 ASN A C 2492 O O . ASN A 368 ? 1.5820 1.4138 0.8599 0.2267 -0.2285 0.0290 344 ASN A O 2493 C CB . ASN A 368 ? 1.6951 1.5173 0.9349 0.2994 -0.2496 0.0930 344 ASN A CB 2494 C CG . ASN A 368 ? 1.7721 1.5787 0.9788 0.3299 -0.2610 0.1284 344 ASN A CG 2495 O OD1 . ASN A 368 ? 1.8195 1.5665 0.9893 0.3298 -0.2581 0.1480 344 ASN A OD1 2496 N ND2 . ASN A 368 ? 1.7905 1.6512 1.0111 0.3558 -0.2748 0.1383 344 ASN A ND2 2497 N N . LEU A 369 ? 1.5852 1.3094 0.8515 0.2460 -0.2120 0.0479 345 LEU A N 2498 C CA . LEU A 369 ? 1.5223 1.2505 0.8257 0.2257 -0.2021 0.0211 345 LEU A CA 2499 C C . LEU A 369 ? 1.5124 1.2032 0.8051 0.1977 -0.1894 0.0094 345 LEU A C 2500 O O . LEU A 369 ? 1.5472 1.2095 0.8029 0.1924 -0.1872 0.0222 345 LEU A O 2501 C CB . LEU A 369 ? 1.4849 1.1895 0.8103 0.2438 -0.1963 0.0233 345 LEU A CB 2502 C CG . LEU A 369 ? 1.4522 1.2117 0.8051 0.2665 -0.2064 0.0259 345 LEU A CG 2503 C CD1 . LEU A 369 ? 1.4253 1.1655 0.7999 0.2816 -0.1981 0.0250 345 LEU A CD1 2504 C CD2 . LEU A 369 ? 1.4086 1.2360 0.7941 0.2449 -0.2134 0.0057 345 LEU A CD2 2505 N N . VAL A 370 ? 1.4697 1.1639 0.7967 0.1798 -0.1816 -0.0136 346 VAL A N 2506 C CA . VAL A 370 ? 1.4622 1.1234 0.7858 0.1558 -0.1689 -0.0256 346 VAL A CA 2507 C C . VAL A 370 ? 1.4499 1.0612 0.7832 0.1590 -0.1577 -0.0221 346 VAL A C 2508 O O . VAL A 370 ? 1.4351 1.0565 0.7973 0.1691 -0.1583 -0.0249 346 VAL A O 2509 C CB . VAL A 370 ? 1.4413 1.1405 0.7968 0.1325 -0.1690 -0.0553 346 VAL A CB 2510 C CG1 . VAL A 370 ? 1.4410 1.1132 0.7880 0.1110 -0.1570 -0.0668 346 VAL A CG1 2511 C CG2 . VAL A 370 ? 1.4595 1.2166 0.8113 0.1314 -0.1825 -0.0626 346 VAL A CG2 2512 N N . ASN A 371 ? 1.4563 1.0181 0.7649 0.1492 -0.1478 -0.0157 347 ASN A N 2513 C CA . ASN A 371 ? 1.4394 0.9536 0.7537 0.1491 -0.1373 -0.0136 347 ASN A CA 2514 C C . ASN A 371 ? 1.4133 0.9098 0.7329 0.1225 -0.1256 -0.0261 347 ASN A C 2515 O O . ASN A 371 ? 1.3921 0.9169 0.7178 0.1057 -0.1253 -0.0404 347 ASN A O 2516 C CB . ASN A 371 ? 1.4850 0.9460 0.7620 0.1670 -0.1376 0.0103 347 ASN A CB 2517 C CG . ASN A 371 ? 1.5249 0.9643 0.7599 0.1579 -0.1387 0.0255 347 ASN A CG 2518 O OD1 . ASN A 371 ? 1.5551 1.0166 0.7711 0.1672 -0.1488 0.0375 347 ASN A OD1 2519 N ND2 . ASN A 371 ? 1.5275 0.9276 0.7478 0.1383 -0.1286 0.0269 347 ASN A ND2 2520 N N . SER A 372 ? 1.4174 0.8690 0.7347 0.1197 -0.1164 -0.0218 348 SER A N 2521 C CA . SER A 372 ? 1.4044 0.8394 0.7270 0.0959 -0.1054 -0.0309 348 SER A CA 2522 C C . SER A 372 ? 1.4506 0.8659 0.7340 0.0840 -0.1025 -0.0200 348 SER A C 2523 O O . SER A 372 ? 1.4869 0.8577 0.7373 0.0882 -0.1019 -0.0007 348 SER A O 2524 C CB . SER A 372 ? 1.3840 0.7816 0.7150 0.0960 -0.0975 -0.0286 348 SER A CB 2525 O OG . SER A 372 ? 1.3554 0.7745 0.7188 0.1084 -0.1002 -0.0346 348 SER A OG 2526 N N . LEU A 373 ? 1.4543 0.9035 0.7418 0.0685 -0.1010 -0.0329 349 LEU A N 2527 C CA . LEU A 373 ? 1.4984 0.9438 0.7499 0.0561 -0.0982 -0.0229 349 LEU A CA 2528 C C . LEU A 373 ? 1.4930 0.9180 0.7446 0.0351 -0.0856 -0.0259 349 LEU A C 2529 O O . LEU A 373 ? 1.4927 0.9436 0.7412 0.0198 -0.0803 -0.0349 349 LEU A O 2530 C CB . LEU A 373 ? 1.5100 1.0108 0.7623 0.0523 -0.1033 -0.0366 349 LEU A CB 2531 C CG . LEU A 373 ? 1.5271 1.0600 0.7882 0.0703 -0.1166 -0.0385 349 LEU A CG 2532 C CD1 . LEU A 373 ? 1.5358 1.1246 0.7963 0.0638 -0.1219 -0.0553 349 LEU A CD1 2533 C CD2 . LEU A 373 ? 1.5745 1.0815 0.8041 0.0894 -0.1245 -0.0095 349 LEU A CD2 2534 N N . ASP B 25 ? 1.3021 1.2316 1.1711 -0.5028 0.1561 -0.1152 1 ASP B N 2535 C CA . ASP B 25 ? 1.2987 1.2009 1.1847 -0.4939 0.1528 -0.0987 1 ASP B CA 2536 C C . ASP B 25 ? 1.3180 1.1640 1.2025 -0.4944 0.1610 -0.1022 1 ASP B C 2537 O O . ASP B 25 ? 1.3050 1.1403 1.2053 -0.4788 0.1681 -0.1009 1 ASP B O 2538 C CB . ASP B 25 ? 1.2590 1.1864 1.1738 -0.4705 0.1482 -0.0845 1 ASP B CB 2539 C CG . ASP B 25 ? 1.2739 1.1775 1.2050 -0.4633 0.1439 -0.0686 1 ASP B CG 2540 O OD1 . ASP B 25 ? 1.2809 1.1996 1.2101 -0.4703 0.1361 -0.0606 1 ASP B OD1 2541 O OD2 . ASP B 25 ? 1.2825 1.1534 1.2266 -0.4528 0.1490 -0.0657 1 ASP B OD2 2542 N N . SER B 26 ? 1.3507 1.1609 1.2185 -0.5134 0.1598 -0.1090 2 SER B N 2543 C CA . SER B 26 ? 1.3743 1.1266 1.2416 -0.5154 0.1646 -0.1177 2 SER B CA 2544 C C . SER B 26 ? 1.3875 1.0929 1.2611 -0.5179 0.1527 -0.1023 2 SER B C 2545 O O . SER B 26 ? 1.3912 1.1057 1.2585 -0.5285 0.1436 -0.0879 2 SER B O 2546 C CB . SER B 26 ? 1.4243 1.1611 1.2691 -0.5352 0.1701 -0.1417 2 SER B CB 2547 O OG . SER B 26 ? 1.4030 1.1794 1.2364 -0.5361 0.1810 -0.1563 2 SER B OG 2548 N N . GLY B 27 ? 1.3995 1.0535 1.2838 -0.5098 0.1529 -0.1072 3 GLY B N 2549 C CA . GLY B 27 ? 1.4305 1.0290 1.3186 -0.5114 0.1381 -0.0930 3 GLY B CA 2550 C C . GLY B 27 ? 1.4466 0.9894 1.3506 -0.4974 0.1370 -0.1058 3 GLY B C 2551 O O . GLY B 27 ? 1.1871 0.7392 1.1003 -0.4878 0.1521 -0.1284 3 GLY B O 2552 N N . CYS B 28 ? 1.4827 0.9660 1.3887 -0.4968 0.1194 -0.0938 4 CYS B N 2553 C CA . CYS B 28 ? 1.5114 0.9332 1.4341 -0.4801 0.1125 -0.1097 4 CYS B CA 2554 C C . CYS B 28 ? 1.5035 0.9046 1.4380 -0.4673 0.0998 -0.0887 4 CYS B C 2555 O O . CYS B 28 ? 1.5203 0.9144 1.4397 -0.4789 0.0881 -0.0609 4 CYS B O 2556 C CB . CYS B 28 ? 1.5965 0.9412 1.5090 -0.4884 0.0958 -0.1253 4 CYS B CB 2557 S SG . CYS B 28 ? 1.5413 0.9033 1.4402 -0.5043 0.1087 -0.1561 4 CYS B SG 2558 N N . VAL B 29 ? 1.4827 0.8768 1.4436 -0.4445 0.1047 -0.1049 5 VAL B N 2559 C CA . VAL B 29 ? 1.4856 0.8579 1.4601 -0.4298 0.0926 -0.0908 5 VAL B CA 2560 C C . VAL B 29 ? 1.5483 0.8479 1.5417 -0.4063 0.0810 -0.1202 5 VAL B C 2561 O O . VAL B 29 ? 1.5506 0.8486 1.5584 -0.3969 0.0932 -0.1561 5 VAL B O 2562 C CB . VAL B 29 ? 1.1728 0.6237 1.1712 -0.4197 0.1104 -0.0840 5 VAL B CB 2563 C CG1 . VAL B 29 ? 1.1745 0.6068 1.1834 -0.4090 0.0968 -0.0678 5 VAL B CG1 2564 C CG2 . VAL B 29 ? 1.1220 0.6468 1.1063 -0.4345 0.1196 -0.0660 5 VAL B CG2 2565 N N . VAL B 30 ? 1.6121 0.8524 1.6049 -0.3943 0.0571 -0.1087 6 VAL B N 2566 C CA . VAL B 30 ? 1.6871 0.8542 1.7000 -0.3633 0.0396 -0.1405 6 VAL B CA 2567 C C . VAL B 30 ? 1.6772 0.8469 1.7190 -0.3368 0.0380 -0.1438 6 VAL B C 2568 O O . VAL B 30 ? 1.6711 0.8379 1.6949 -0.3451 0.0281 -0.1100 6 VAL B O 2569 C CB . VAL B 30 ? 1.9309 0.9975 1.9193 -0.3641 0.0029 -0.1327 6 VAL B CB 2570 C CG1 . VAL B 30 ? 1.9521 1.0090 1.9032 -0.3885 -0.0064 -0.0826 6 VAL B CG1 2571 C CG2 . VAL B 30 ? 1.9921 0.9812 2.0034 -0.3228 -0.0241 -0.1634 6 VAL B CG2 2572 N N . SER B 31 ? 1.6759 0.8620 1.7702 -0.3030 0.0497 -0.1881 7 SER B N 2573 C CA . SER B 31 ? 1.6649 0.8746 1.8049 -0.2641 0.0423 -0.1966 7 SER B CA 2574 C C . SER B 31 ? 1.7686 0.9004 1.9229 -0.2221 0.0036 -0.2215 7 SER B C 2575 O O . SER B 31 ? 1.7964 0.9155 1.9800 -0.2006 0.0034 -0.2666 7 SER B O 2576 C CB . SER B 31 ? 1.5806 0.8882 1.7799 -0.2491 0.0784 -0.2265 7 SER B CB 2577 O OG . SER B 31 ? 1.5597 0.8926 1.8096 -0.2088 0.0685 -0.2403 7 SER B OG 2578 N N . TRP B 32 ? 1.8329 0.9146 1.9657 -0.2091 -0.0308 -0.1938 8 TRP B N 2579 C CA . TRP B 32 ? 1.9447 0.9411 2.0834 -0.1671 -0.0763 -0.2121 8 TRP B CA 2580 C C . TRP B 32 ? 1.9004 0.9484 2.1195 -0.1133 -0.0745 -0.2657 8 TRP B C 2581 O O . TRP B 32 ? 1.9507 0.9745 2.1881 -0.0814 -0.0886 -0.3057 8 TRP B O 2582 C CB . TRP B 32 ? 2.0238 0.9618 2.1139 -0.1674 -0.1126 -0.1650 8 TRP B CB 2583 C CG . TRP B 32 ? 2.1190 0.9833 2.1273 -0.2152 -0.1233 -0.1185 8 TRP B CG 2584 C CD1 . TRP B 32 ? 2.0865 0.9890 2.0601 -0.2699 -0.0927 -0.0884 8 TRP B CD1 2585 C CD2 . TRP B 32 ? 2.2482 1.0197 2.2072 -0.2091 -0.1591 -0.0970 8 TRP B CD2 2586 N NE1 . TRP B 32 ? 2.1713 1.0211 2.0878 -0.2967 -0.1056 -0.0525 8 TRP B NE1 2587 C CE2 . TRP B 32 ? 2.2777 1.0392 2.1801 -0.2631 -0.1466 -0.0548 8 TRP B CE2 2588 C CE3 . TRP B 32 ? 2.3434 1.0461 2.3047 -0.1617 -0.2016 -0.1103 8 TRP B CE3 2589 C CZ2 . TRP B 32 ? 2.3983 1.0777 2.2462 -0.2747 -0.1744 -0.0241 8 TRP B CZ2 2590 C CZ3 . TRP B 32 ? 2.4648 1.0785 2.3664 -0.1730 -0.2321 -0.0775 8 TRP B CZ3 2591 C CH2 . TRP B 32 ? 2.4925 1.0927 2.3376 -0.2307 -0.2177 -0.0341 8 TRP B CH2 2592 N N . LYS B 33 ? 1.8032 0.9385 2.0616 -0.1033 -0.0546 -0.2632 9 LYS B N 2593 C CA . LYS B 33 ? 1.7518 0.9474 2.0911 -0.0571 -0.0495 -0.3128 9 LYS B CA 2594 C C . LYS B 33 ? 1.7145 0.9614 2.0969 -0.0578 -0.0144 -0.3621 9 LYS B C 2595 O O . LYS B 33 ? 1.7444 1.0044 2.1637 -0.0187 -0.0242 -0.4064 9 LYS B O 2596 C CB . LYS B 33 ? 1.6605 0.9429 2.0312 -0.0561 -0.0304 -0.2969 9 LYS B CB 2597 C CG . LYS B 33 ? 1.6829 0.9298 2.0071 -0.0597 -0.0603 -0.2478 9 LYS B CG 2598 C CD . LYS B 33 ? 1.5921 0.9306 1.9562 -0.0550 -0.0427 -0.2401 9 LYS B CD 2599 C CE . LYS B 33 ? 1.6114 0.9230 1.9273 -0.0585 -0.0716 -0.1946 9 LYS B CE 2600 N NZ . LYS B 33 ? 1.5235 0.9245 1.8851 -0.0481 -0.0592 -0.1940 9 LYS B NZ 2601 N N . ASN B 34 ? 1.6557 0.9487 2.0168 -0.1015 0.0260 -0.3458 10 ASN B N 2602 C CA . ASN B 34 ? 1.6298 0.9720 2.0182 -0.1082 0.0613 -0.3869 10 ASN B CA 2603 C C . ASN B 34 ? 1.7064 0.9789 2.0652 -0.1033 0.0397 -0.4077 10 ASN B C 2604 O O . ASN B 34 ? 1.7107 1.0201 2.0938 -0.0956 0.0583 -0.4504 10 ASN B O 2605 C CB . ASN B 34 ? 1.5740 0.9770 1.9365 -0.1553 0.1040 -0.3581 10 ASN B CB 2606 C CG . ASN B 34 ? 1.5589 1.0270 1.9492 -0.1620 0.1443 -0.3973 10 ASN B CG 2607 O OD1 . ASN B 34 ? 1.5703 1.0680 2.0151 -0.1316 0.1498 -0.4477 10 ASN B OD1 2608 N ND2 . ASN B 34 ? 1.5382 1.0327 1.8899 -0.2024 0.1723 -0.3758 10 ASN B ND2 2609 N N . LYS B 35 ? 1.7682 0.9431 2.0706 -0.1086 -0.0001 -0.3749 11 LYS B N 2610 C CA . LYS B 35 ? 1.8456 0.9430 2.1085 -0.1071 -0.0257 -0.3851 11 LYS B CA 2611 C C . LYS B 35 ? 1.8091 0.9355 2.0553 -0.1438 0.0073 -0.3946 11 LYS B C 2612 O O . LYS B 35 ? 1.8549 0.9682 2.1040 -0.1321 0.0028 -0.4312 11 LYS B O 2613 C CB . LYS B 35 ? 1.8965 0.9893 2.1997 -0.0525 -0.0492 -0.4350 11 LYS B CB 2614 C CG . LYS B 35 ? 1.9357 0.9896 2.2466 -0.0123 -0.0897 -0.4259 11 LYS B CG 2615 C CD . LYS B 35 ? 1.9898 1.0500 2.3432 0.0399 -0.1118 -0.4774 11 LYS B CD 2616 C CE . LYS B 35 ? 2.0611 1.0640 2.4088 0.0785 -0.1607 -0.4643 11 LYS B CE 2617 N NZ . LYS B 35 ? 2.1245 1.1351 2.5154 0.1281 -0.1858 -0.5145 11 LYS B NZ 2618 N N . GLU B 36 ? 1.7279 0.8985 1.9553 -0.1866 0.0397 -0.3619 12 GLU B N 2619 C CA . GLU B 36 ? 1.6891 0.8997 1.8977 -0.2209 0.0729 -0.3677 12 GLU B CA 2620 C C . GLU B 36 ? 1.6522 0.8617 1.8052 -0.2685 0.0802 -0.3127 12 GLU B C 2621 O O . GLU B 36 ? 1.6152 0.8428 1.7637 -0.2776 0.0818 -0.2768 12 GLU B O 2622 C CB . GLU B 36 ? 1.6127 0.9252 1.8720 -0.2163 0.1189 -0.4015 12 GLU B CB 2623 C CG . GLU B 36 ? 1.5903 0.9464 1.8253 -0.2512 0.1544 -0.4081 12 GLU B CG 2624 C CD . GLU B 36 ? 1.5289 0.9828 1.8026 -0.2479 0.1978 -0.4352 12 GLU B CD 2625 O OE1 . GLU B 36 ? 1.5135 1.0008 1.8427 -0.2156 0.2008 -0.4636 12 GLU B OE1 2626 O OE2 . GLU B 36 ? 1.5021 1.0010 1.7486 -0.2782 0.2276 -0.4269 12 GLU B OE2 2627 N N . LEU B 37 ? 1.6623 0.8586 1.7766 -0.2962 0.0825 -0.3088 13 LEU B N 2628 C CA . LEU B 37 ? 1.6226 0.8395 1.6915 -0.3376 0.0893 -0.2627 13 LEU B CA 2629 C C . LEU B 37 ? 1.5697 0.8566 1.6346 -0.3575 0.1252 -0.2772 13 LEU B C 2630 O O . LEU B 37 ? 1.5867 0.8869 1.6730 -0.3455 0.1405 -0.3227 13 LEU B O 2631 C CB . LEU B 37 ? 1.7075 0.8449 1.7340 -0.3546 0.0530 -0.2379 13 LEU B CB 2632 C CG . LEU B 37 ? 1.7865 0.8773 1.8040 -0.3554 0.0397 -0.2686 13 LEU B CG 2633 C CD1 . LEU B 37 ? 1.8340 0.8904 1.8171 -0.3876 0.0201 -0.2335 13 LEU B CD1 2634 C CD2 . LEU B 37 ? 1.8656 0.8810 1.9025 -0.3162 0.0091 -0.3052 13 LEU B CD2 2635 N N . LYS B 38 ? 1.5057 0.8404 1.5433 -0.3855 0.1368 -0.2409 14 LYS B N 2636 C CA . LYS B 38 ? 1.4511 0.8516 1.4796 -0.4029 0.1680 -0.2503 14 LYS B CA 2637 C C . LYS B 38 ? 1.4278 0.8508 1.4171 -0.4302 0.1624 -0.2149 14 LYS B C 2638 O O . LYS B 38 ? 1.4096 0.8341 1.3891 -0.4355 0.1466 -0.1780 14 LYS B O 2639 C CB . LYS B 38 ? 1.3726 0.8427 1.4319 -0.3950 0.1985 -0.2541 14 LYS B CB 2640 C CG . LYS B 38 ? 1.3332 0.8683 1.3775 -0.4137 0.2286 -0.2572 14 LYS B CG 2641 C CD . LYS B 38 ? 1.3797 0.9047 1.4147 -0.4210 0.2426 -0.3009 14 LYS B CD 2642 C CE . LYS B 38 ? 1.3500 0.9380 1.3698 -0.4399 0.2755 -0.3078 14 LYS B CE 2643 N NZ . LYS B 38 ? 1.3107 0.9351 1.2994 -0.4541 0.2700 -0.2643 14 LYS B NZ 2644 N N . CYS B 39 ? 1.4333 0.8776 1.4031 -0.4462 0.1758 -0.2312 15 CYS B N 2645 C CA . CYS B 39 ? 1.4179 0.8920 1.3566 -0.4688 0.1728 -0.2076 15 CYS B CA 2646 C C . CYS B 39 ? 1.3620 0.9069 1.2921 -0.4760 0.1995 -0.2129 15 CYS B C 2647 O O . CYS B 39 ? 1.3511 0.9132 1.2928 -0.4711 0.2227 -0.2400 15 CYS B O 2648 C CB . CYS B 39 ? 1.4891 0.9162 1.4083 -0.4832 0.1584 -0.2233 15 CYS B CB 2649 S SG . CYS B 39 ? 1.4078 0.7412 1.3298 -0.4792 0.1203 -0.2111 15 CYS B SG 2650 N N . GLY B 40 ? 1.3308 0.9166 1.2408 -0.4879 0.1957 -0.1893 16 GLY B N 2651 C CA . GLY B 40 ? 1.2922 0.9350 1.1873 -0.4951 0.2139 -0.1947 16 GLY B CA 2652 C C . GLY B 40 ? 1.2292 0.9235 1.1213 -0.4918 0.2064 -0.1651 16 GLY B C 2653 O O . GLY B 40 ? 1.2229 0.9142 1.1194 -0.4900 0.1887 -0.1428 16 GLY B O 2654 N N . SER B 41 ? 1.1864 0.9266 1.0705 -0.4917 0.2190 -0.1671 17 SER B N 2655 C CA . SER B 41 ? 1.1294 0.9177 1.0143 -0.4849 0.2091 -0.1453 17 SER B CA 2656 C C . SER B 41 ? 1.0938 0.9002 1.0101 -0.4620 0.2101 -0.1292 17 SER B C 2657 O O . SER B 41 ? 1.0938 0.8792 1.0300 -0.4535 0.2213 -0.1360 17 SER B O 2658 C CB . SER B 41 ? 1.1150 0.9364 0.9727 -0.4977 0.2163 -0.1559 17 SER B CB 2659 O OG . SER B 41 ? 1.0612 0.9252 0.9252 -0.4880 0.2056 -0.1386 17 SER B OG 2660 N N . GLY B 42 ? 1.0661 0.9122 0.9904 -0.4525 0.1982 -0.1116 18 GLY B N 2661 C CA . GLY B 42 ? 1.0388 0.9049 0.9954 -0.4310 0.1969 -0.0974 18 GLY B CA 2662 C C . GLY B 42 ? 1.0182 0.9087 0.9941 -0.4200 0.1777 -0.0791 18 GLY B C 2663 O O . GLY B 42 ? 1.0185 0.9310 0.9809 -0.4282 0.1669 -0.0775 18 GLY B O 2664 N N . ILE B 43 ? 1.0008 0.8907 1.0091 -0.4033 0.1748 -0.0690 19 ILE B N 2665 C CA . ILE B 43 ? 0.9778 0.8926 1.0056 -0.3940 0.1589 -0.0543 19 ILE B CA 2666 C C . ILE B 43 ? 0.9990 0.8880 1.0445 -0.3892 0.1549 -0.0473 19 ILE B C 2667 O O . ILE B 43 ? 0.9978 0.8677 1.0629 -0.3803 0.1631 -0.0517 19 ILE B O 2668 C CB . ILE B 43 ? 0.9277 0.8821 0.9810 -0.3782 0.1547 -0.0479 19 ILE B CB 2669 C CG1 . ILE B 43 ? 0.9338 0.9131 0.9666 -0.3868 0.1517 -0.0530 19 ILE B CG1 2670 C CG2 . ILE B 43 ? 0.6964 0.6742 0.7761 -0.3677 0.1411 -0.0374 19 ILE B CG2 2671 C CD1 . ILE B 43 ? 0.9033 0.9170 0.9607 -0.3747 0.1429 -0.0467 19 ILE B CD1 2672 N N . PHE B 44 ? 1.0246 0.9126 1.0612 -0.3977 0.1435 -0.0381 20 PHE B N 2673 C CA . PHE B 44 ? 1.0522 0.9105 1.0978 -0.3979 0.1376 -0.0293 20 PHE B CA 2674 C C . PHE B 44 ? 1.0281 0.9240 1.0939 -0.3899 0.1282 -0.0182 20 PHE B C 2675 O O . PHE B 44 ? 1.0138 0.9454 1.0696 -0.3962 0.1228 -0.0156 20 PHE B O 2676 C CB . PHE B 44 ? 1.1041 0.9189 1.1170 -0.4194 0.1328 -0.0259 20 PHE B CB 2677 C CG . PHE B 44 ? 1.1369 0.9013 1.1512 -0.4221 0.1252 -0.0168 20 PHE B CG 2678 C CD1 . PHE B 44 ? 1.1424 0.8707 1.1778 -0.4098 0.1282 -0.0258 20 PHE B CD1 2679 C CD2 . PHE B 44 ? 1.1733 0.9225 1.1642 -0.4387 0.1154 -0.0013 20 PHE B CD2 2680 C CE1 . PHE B 44 ? 1.1842 0.8560 1.2188 -0.4110 0.1177 -0.0203 20 PHE B CE1 2681 C CE2 . PHE B 44 ? 1.2181 0.9103 1.2022 -0.4426 0.1059 0.0092 20 PHE B CE2 2682 C CZ . PHE B 44 ? 1.2250 0.8750 1.2314 -0.4274 0.1049 -0.0005 20 PHE B CZ 2683 N N . ILE B 45 ? 1.0224 0.9116 1.1173 -0.3776 0.1273 -0.0158 21 ILE B N 2684 C CA . ILE B 45 ? 0.9980 0.9198 1.1133 -0.3720 0.1188 -0.0079 21 ILE B CA 2685 C C . ILE B 45 ? 1.0524 0.9327 1.1510 -0.3863 0.1127 0.0017 21 ILE B C 2686 O O . ILE B 45 ? 1.0907 0.9164 1.1901 -0.3863 0.1133 -0.0010 21 ILE B O 2687 C CB . ILE B 45 ? 0.9459 0.8908 1.1062 -0.3506 0.1206 -0.0132 21 ILE B CB 2688 C CG1 . ILE B 45 ? 0.9167 0.8830 1.0843 -0.3400 0.1274 -0.0197 21 ILE B CG1 2689 C CG2 . ILE B 45 ? 0.9089 0.8976 1.0933 -0.3447 0.1109 -0.0089 21 ILE B CG2 2690 C CD1 . ILE B 45 ? 0.8935 0.8985 1.0506 -0.3419 0.1211 -0.0182 21 ILE B CD1 2691 N N . THR B 46 ? 1.0668 0.9690 1.1458 -0.4000 0.1065 0.0115 22 THR B N 2692 C CA . THR B 46 ? 1.1331 0.9913 1.1813 -0.4193 0.0995 0.0258 22 THR B CA 2693 C C . THR B 46 ? 1.1173 0.9996 1.1826 -0.4172 0.0931 0.0308 22 THR B C 2694 O O . THR B 46 ? 1.0725 1.0233 1.1571 -0.4114 0.0927 0.0259 22 THR B O 2695 C CB . THR B 46 ? 1.1823 1.0422 1.1820 -0.4453 0.0980 0.0352 22 THR B CB 2696 O OG1 . THR B 46 ? 1.1478 1.0820 1.1518 -0.4468 0.0982 0.0310 22 THR B OG1 2697 C CG2 . THR B 46 ? 1.2014 1.0414 1.1864 -0.4501 0.1034 0.0274 22 THR B CG2 2698 N N . ASP B 47 ? 1.1637 0.9858 1.2205 -0.4220 0.0856 0.0382 23 ASP B N 2699 C CA . ASP B 47 ? 1.1582 0.9955 1.2224 -0.4259 0.0760 0.0440 23 ASP B CA 2700 C C . ASP B 47 ? 1.1946 1.0509 1.2063 -0.4536 0.0689 0.0649 23 ASP B C 2701 O O . ASP B 47 ? 1.2746 1.0627 1.2291 -0.4748 0.0587 0.0869 23 ASP B O 2702 C CB . ASP B 47 ? 1.2136 0.9739 1.2785 -0.4061 0.0614 0.0443 23 ASP B CB 2703 C CG . ASP B 47 ? 1.2150 1.0006 1.2897 -0.3796 0.0415 0.0494 23 ASP B CG 2704 O OD1 . ASP B 47 ? 1.1579 1.0265 1.2547 -0.3810 0.0441 0.0459 23 ASP B OD1 2705 O OD2 . ASP B 47 ? 1.2776 1.0005 1.3390 -0.3548 0.0206 0.0542 23 ASP B OD2 2706 N N . ASN B 48 ? 1.1382 1.0848 1.1681 -0.4520 0.0730 0.0566 24 ASN B N 2707 C CA . ASN B 48 ? 1.1622 1.1452 1.1464 -0.4788 0.0698 0.0695 24 ASN B CA 2708 C C . ASN B 48 ? 1.1691 1.1608 1.1394 -0.4938 0.0563 0.0852 24 ASN B C 2709 O O . ASN B 48 ? 1.2100 1.2302 1.1351 -0.5203 0.0532 0.0999 24 ASN B O 2710 C CB . ASN B 48 ? 1.0947 1.1698 1.1045 -0.4688 0.0763 0.0485 24 ASN B CB 2711 C CG . ASN B 48 ? 1.0507 1.1221 1.0837 -0.4490 0.0843 0.0329 24 ASN B CG 2712 O OD1 . ASN B 48 ? 1.0806 1.1330 1.0806 -0.4627 0.0887 0.0345 24 ASN B OD1 2713 N ND2 . ASN B 48 ? 0.9808 1.0712 1.0695 -0.4187 0.0850 0.0186 24 ASN B ND2 2714 N N . VAL B 49 ? 1.1326 1.1042 1.1435 -0.4565 0.0453 0.0774 25 VAL B N 2715 C CA . VAL B 49 ? 0.8890 0.8723 0.8973 -0.4292 0.0245 0.0829 25 VAL B CA 2716 C C . VAL B 49 ? 0.9973 0.8794 0.9363 -0.4329 0.0052 0.1127 25 VAL B C 2717 O O . VAL B 49 ? 1.0522 0.9372 0.9376 -0.4472 -0.0074 0.1347 25 VAL B O 2718 C CB . VAL B 49 ? 0.8638 0.8737 0.9524 -0.3740 0.0177 0.0556 25 VAL B CB 2719 C CG1 . VAL B 49 ? 0.8890 0.9007 0.9735 -0.3420 -0.0074 0.0592 25 VAL B CG1 2720 C CG2 . VAL B 49 ? 0.7667 0.8740 0.9194 -0.3703 0.0307 0.0297 25 VAL B CG2 2721 N N . HIS B 50 ? 1.0339 0.8256 0.9721 -0.4196 0.0014 0.1126 26 HIS B N 2722 C CA . HIS B 50 ? 1.5483 1.2321 1.4243 -0.4186 -0.0223 0.1384 26 HIS B CA 2723 C C . HIS B 50 ? 1.6352 1.2572 1.4390 -0.4745 -0.0152 0.1651 26 HIS B C 2724 O O . HIS B 50 ? 1.7217 1.2381 1.4911 -0.4755 -0.0288 0.1771 26 HIS B O 2725 C CB . HIS B 50 ? 1.1499 0.7687 1.0668 -0.3708 -0.0350 0.1188 26 HIS B CB 2726 C CG . HIS B 50 ? 1.0695 0.7511 1.0657 -0.3195 -0.0384 0.0884 26 HIS B CG 2727 N ND1 . HIS B 50 ? 1.0297 0.7877 1.0985 -0.3110 -0.0146 0.0600 26 HIS B ND1 2728 C CD2 . HIS B 50 ? 1.0806 0.7590 1.0950 -0.2753 -0.0641 0.0817 26 HIS B CD2 2729 C CE1 . HIS B 50 ? 0.9819 0.7800 1.1125 -0.2666 -0.0236 0.0374 26 HIS B CE1 2730 N NE2 . HIS B 50 ? 1.0464 0.8012 1.1480 -0.2431 -0.0534 0.0478 26 HIS B NE2 2731 N N . THR B 51 ? 1.6126 1.3041 1.3983 -0.5207 0.0051 0.1709 27 THR B N 2732 C CA . THR B 51 ? 1.6820 1.3380 1.4039 -0.5689 0.0129 0.1918 27 THR B CA 2733 C C . THR B 51 ? 1.7897 1.4156 1.4296 -0.5999 -0.0029 0.2309 27 THR B C 2734 O O . THR B 51 ? 1.7604 1.4654 1.3945 -0.6098 -0.0013 0.2354 27 THR B O 2735 C CB . THR B 51 ? 1.5939 1.3572 1.3464 -0.5737 0.0382 0.1659 27 THR B CB 2736 O OG1 . THR B 51 ? 1.5178 1.3862 1.2997 -0.5731 0.0429 0.1547 27 THR B OG1 2737 C CG2 . THR B 51 ? 1.5229 1.2930 1.3344 -0.5451 0.0510 0.1358 27 THR B CG2 2738 N N . TRP B 52 ? 1.9187 1.4358 1.4983 -0.6090 -0.0193 0.2561 28 TRP B N 2739 C CA . TRP B 52 ? 2.0493 1.5222 1.5417 -0.6370 -0.0366 0.2968 28 TRP B CA 2740 C C . TRP B 52 ? 2.0571 1.6306 1.5282 -0.6742 -0.0144 0.2947 28 TRP B C 2741 O O . TRP B 52 ? 2.1013 1.7004 1.5199 -0.6971 -0.0203 0.3186 28 TRP B O 2742 C CB . TRP B 52 ? 2.1697 1.5096 1.6123 -0.6370 -0.0579 0.3174 28 TRP B CB 2743 C CG . TRP B 52 ? 2.2405 1.4615 1.6601 -0.6050 -0.0975 0.3367 28 TRP B CG 2744 C CD1 . TRP B 52 ? 2.3707 1.4974 1.7100 -0.6072 -0.1320 0.3768 28 TRP B CD1 2745 C CD2 . TRP B 52 ? 2.1833 1.3831 1.6724 -0.5487 -0.1095 0.3060 28 TRP B CD2 2746 N NE1 . TRP B 52 ? 2.3953 1.4417 1.7519 -0.5507 -0.1683 0.3709 28 TRP B NE1 2747 C CE2 . TRP B 52 ? 2.2731 1.3777 1.7307 -0.5082 -0.1524 0.3210 28 TRP B CE2 2748 C CE3 . TRP B 52 ? 2.0627 1.3301 1.6447 -0.5191 -0.0873 0.2606 28 TRP B CE3 2749 C CZ2 . TRP B 52 ? 2.2389 1.3225 1.7623 -0.4391 -0.1722 0.2870 28 TRP B CZ2 2750 C CZ3 . TRP B 52 ? 2.0321 1.2765 1.6742 -0.4551 -0.1041 0.2308 28 TRP B CZ3 2751 C CH2 . TRP B 52 ? 2.1168 1.2741 1.7330 -0.4156 -0.1454 0.2416 28 TRP B CH2 2752 N N . THR B 53 ? 2.0187 1.6485 1.5299 -0.6778 0.0089 0.2642 29 THR B N 2753 C CA . THR B 53 ? 2.0226 1.7449 1.5225 -0.7085 0.0270 0.2536 29 THR B CA 2754 C C . THR B 53 ? 1.8989 1.7469 1.4679 -0.6913 0.0440 0.2154 29 THR B C 2755 O O . THR B 53 ? 1.8172 1.6763 1.4490 -0.6585 0.0496 0.1903 29 THR B O 2756 C CB . THR B 53 ? 2.0741 1.7653 1.5616 -0.7269 0.0357 0.2476 29 THR B CB 2757 O OG1 . THR B 53 ? 2.0405 1.6823 1.5726 -0.6968 0.0362 0.2312 29 THR B OG1 2758 C CG2 . THR B 53 ? 2.2192 1.8191 1.6268 -0.7597 0.0212 0.2860 29 THR B CG2 2759 N N . GLU B 54 ? 1.8906 1.8325 1.4470 -0.7124 0.0505 0.2098 30 GLU B N 2760 C CA . GLU B 54 ? 1.7809 1.8432 1.3998 -0.6953 0.0625 0.1709 30 GLU B CA 2761 C C . GLU B 54 ? 1.7398 1.8292 1.3788 -0.6966 0.0751 0.1429 30 GLU B C 2762 O O . GLU B 54 ? 1.7626 1.9089 1.3794 -0.7243 0.0819 0.1328 30 GLU B O 2763 C CB . GLU B 54 ? 1.8022 1.9591 1.4004 -0.7168 0.0629 0.1704 30 GLU B CB 2764 C CG . GLU B 54 ? 1.8424 1.9848 1.4166 -0.7162 0.0496 0.1995 30 GLU B CG 2765 C CD . GLU B 54 ? 1.9922 2.0229 1.4763 -0.7427 0.0354 0.2486 30 GLU B CD 2766 O OE1 . GLU B 54 ? 2.0693 2.0398 1.5170 -0.7638 0.0376 0.2575 30 GLU B OE1 2767 O OE2 . GLU B 54 ? 2.0372 2.0377 1.4851 -0.7402 0.0196 0.2790 30 GLU B OE2 2768 N N . GLN B 55 ? 1.6771 1.7271 1.3569 -0.6677 0.0776 0.1300 31 GLN B N 2769 C CA . GLN B 55 ? 1.6459 1.7035 1.3373 -0.6689 0.0870 0.1094 31 GLN B CA 2770 C C . GLN B 55 ? 1.5470 1.7113 1.2703 -0.6625 0.0940 0.0750 31 GLN B C 2771 O O . GLN B 55 ? 1.5658 1.7543 1.2783 -0.6797 0.1007 0.0603 31 GLN B O 2772 C CB . GLN B 55 ? 1.6210 1.6213 1.3507 -0.6366 0.0873 0.1027 31 GLN B CB 2773 C CG . GLN B 55 ? 1.6700 1.5760 1.3895 -0.6271 0.0771 0.1274 31 GLN B CG 2774 C CD . GLN B 55 ? 1.7884 1.6019 1.4520 -0.6540 0.0710 0.1527 31 GLN B CD 2775 O OE1 . GLN B 55 ? 1.8437 1.5702 1.4875 -0.6493 0.0579 0.1746 31 GLN B OE1 2776 N NE2 . GLN B 55 ? 1.8319 1.6598 1.4707 -0.6820 0.0783 0.1486 31 GLN B NE2 2777 N N . TYR B 56 ? 1.6464 1.1557 1.7329 -0.1722 -0.0322 -0.1346 32 TYR B N 2778 C CA . TYR B 56 ? 1.5286 1.1486 1.6345 -0.1962 -0.0461 -0.1225 32 TYR B CA 2779 C C . TYR B 56 ? 1.4503 1.1641 1.5751 -0.1799 -0.0826 -0.0937 32 TYR B C 2780 O O . TYR B 56 ? 1.4391 1.1574 1.5969 -0.1323 -0.1005 -0.0912 32 TYR B O 2781 C CB . TYR B 56 ? 1.4479 1.1114 1.6334 -0.1670 -0.0348 -0.1514 32 TYR B CB 2782 C CG . TYR B 56 ? 1.4986 1.0837 1.6633 -0.1938 0.0058 -0.1827 32 TYR B CG 2783 C CD1 . TYR B 56 ? 1.4958 1.0929 1.6240 -0.2505 0.0182 -0.1838 32 TYR B CD1 2784 C CD2 . TYR B 56 ? 1.5549 1.0551 1.7374 -0.1621 0.0322 -0.2115 32 TYR B CD2 2785 C CE1 . TYR B 56 ? 1.5514 1.0732 1.6517 -0.2822 0.0582 -0.2147 32 TYR B CE1 2786 C CE2 . TYR B 56 ? 1.6083 1.0378 1.7726 -0.1876 0.0761 -0.2450 32 TYR B CE2 2787 C CZ . TYR B 56 ? 1.6063 1.0445 1.7247 -0.2511 0.0902 -0.2475 32 TYR B CZ 2788 O OH . TYR B 56 ? 1.6693 1.0327 1.7600 -0.2838 0.1366 -0.2829 32 TYR B OH 2789 N N . LYS B 57 ? 1.4007 1.1917 1.5048 -0.2210 -0.0930 -0.0722 33 LYS B N 2790 C CA . LYS B 57 ? 1.3224 1.2153 1.4513 -0.2071 -0.1207 -0.0493 33 LYS B CA 2791 C C . LYS B 57 ? 1.2288 1.2256 1.3950 -0.2165 -0.1273 -0.0418 33 LYS B C 2792 O O . LYS B 57 ? 1.2439 1.2396 1.3782 -0.2637 -0.1187 -0.0367 33 LYS B O 2793 C CB . LYS B 57 ? 1.3897 1.2700 1.4401 -0.2510 -0.1302 -0.0214 33 LYS B CB 2794 C CG . LYS B 57 ? 1.4586 1.2550 1.4795 -0.2272 -0.1366 -0.0204 33 LYS B CG 2795 C CD . LYS B 57 ? 1.5184 1.3172 1.4608 -0.2725 -0.1494 0.0086 33 LYS B CD 2796 C CE . LYS B 57 ? 1.2898 1.0329 1.1363 -0.3503 -0.1332 0.0192 33 LYS B CE 2797 N NZ . LYS B 57 ? 1.3437 1.1041 1.1129 -0.4031 -0.1450 0.0470 33 LYS B NZ 2798 N N . PHE B 58 ? 1.1366 1.2175 1.3661 -0.1716 -0.1432 -0.0403 34 PHE B N 2799 C CA . PHE B 58 ? 1.0574 1.2326 1.3275 -0.1682 -0.1508 -0.0323 34 PHE B CA 2800 C C . PHE B 58 ? 1.0499 1.3140 1.3039 -0.1952 -0.1645 -0.0018 34 PHE B C 2801 O O . PHE B 58 ? 1.0525 1.3413 1.3011 -0.1852 -0.1721 0.0060 34 PHE B O 2802 C CB . PHE B 58 ? 0.9759 1.1882 1.3191 -0.1056 -0.1560 -0.0500 34 PHE B CB 2803 C CG . PHE B 58 ? 0.9552 1.1207 1.3276 -0.0881 -0.1426 -0.0783 34 PHE B CG 2804 C CD1 . PHE B 58 ? 0.9993 1.0752 1.3515 -0.0985 -0.1249 -0.0977 34 PHE B CD1 2805 C CD2 . PHE B 58 ? 0.8997 1.1080 1.3182 -0.0612 -0.1452 -0.0872 34 PHE B CD2 2806 C CE1 . PHE B 58 ? 0.9892 1.0313 1.3718 -0.0856 -0.1085 -0.1272 34 PHE B CE1 2807 C CE2 . PHE B 58 ? 0.8949 1.0607 1.3336 -0.0524 -0.1315 -0.1144 34 PHE B CE2 2808 C CZ . PHE B 58 ? 0.9365 1.0253 1.3600 -0.0660 -0.1124 -0.1354 34 PHE B CZ 2809 N N . GLN B 59 ? 1.0463 1.3625 1.2928 -0.2318 -0.1682 0.0158 35 GLN B N 2810 C CA . GLN B 59 ? 1.0362 1.4580 1.2821 -0.2571 -0.1810 0.0449 35 GLN B CA 2811 C C . GLN B 59 ? 1.0023 1.5126 1.2981 -0.2480 -0.1922 0.0583 35 GLN B C 2812 O O . GLN B 59 ? 1.0179 1.4943 1.3029 -0.2668 -0.1919 0.0572 35 GLN B O 2813 C CB . GLN B 59 ? 1.0993 1.4936 1.2613 -0.3327 -0.1786 0.0632 35 GLN B CB 2814 C CG . GLN B 59 ? 1.1431 1.4607 1.2504 -0.3408 -0.1723 0.0579 35 GLN B CG 2815 C CD . GLN B 59 ? 1.2323 1.4637 1.2403 -0.4131 -0.1626 0.0658 35 GLN B CD 2816 O OE1 . GLN B 59 ? 1.2528 1.4986 1.2292 -0.4672 -0.1616 0.0779 35 GLN B OE1 2817 N NE2 . GLN B 59 ? 1.2972 1.4314 1.2492 -0.4164 -0.1563 0.0600 35 GLN B NE2 2818 N N . PRO B 60 ? 0.9668 1.5881 1.3156 -0.2186 -0.2015 0.0709 36 PRO B N 2819 C CA . PRO B 60 ? 0.9286 1.6330 1.3350 -0.1943 -0.2139 0.0846 36 PRO B CA 2820 C C . PRO B 60 ? 0.9510 1.7152 1.3360 -0.2531 -0.2288 0.1172 36 PRO B C 2821 O O . PRO B 60 ? 0.9995 1.7448 1.3209 -0.3171 -0.2268 0.1275 36 PRO B O 2822 C CB . PRO B 60 ? 0.8942 1.6955 1.3580 -0.1479 -0.2133 0.0859 36 PRO B CB 2823 C CG . PRO B 60 ? 0.9244 1.7308 1.3441 -0.1839 -0.2070 0.0891 36 PRO B CG 2824 C CD . PRO B 60 ? 0.9638 1.6359 1.3178 -0.2082 -0.1996 0.0732 36 PRO B CD 2825 N N . GLU B 61 ? 0.9202 1.7516 1.3532 -0.2333 -0.2454 0.1347 37 GLU B N 2826 C CA . GLU B 61 ? 0.9381 1.8513 1.3641 -0.2844 -0.2668 0.1715 37 GLU B CA 2827 C C . GLU B 61 ? 0.9045 1.9643 1.3812 -0.2774 -0.2732 0.1921 37 GLU B C 2828 O O . GLU B 61 ? 0.9325 2.0459 1.3747 -0.3404 -0.2773 0.2113 37 GLU B O 2829 C CB . GLU B 61 ? 0.9391 1.8618 1.3955 -0.2640 -0.2872 0.1860 37 GLU B CB 2830 C CG . GLU B 61 ? 0.9827 1.7755 1.3769 -0.2952 -0.2823 0.1712 37 GLU B CG 2831 C CD . GLU B 61 ? 1.0078 1.8167 1.4104 -0.2997 -0.3088 0.1959 37 GLU B CD 2832 O OE1 . GLU B 61 ? 0.9842 1.8877 1.4563 -0.2515 -0.3295 0.2182 37 GLU B OE1 2833 O OE2 . GLU B 61 ? 1.0593 1.7827 1.3961 -0.3518 -0.3086 0.1934 37 GLU B OE2 2834 N N . SER B 62 ? 0.8496 1.9726 1.4059 -0.2027 -0.2708 0.1858 38 SER B N 2835 C CA . SER B 62 ? 0.8382 2.0770 1.4415 -0.1809 -0.2641 0.1950 38 SER B CA 2836 C C . SER B 62 ? 0.8044 2.0489 1.4516 -0.1167 -0.2438 0.1668 38 SER B C 2837 O O . SER B 62 ? 0.7810 2.0218 1.4798 -0.0484 -0.2405 0.1566 38 SER B O 2838 C CB . SER B 62 ? 0.8486 2.1497 1.4977 -0.1515 -0.2776 0.2180 38 SER B CB 2839 O OG . SER B 62 ? 0.8527 2.2504 1.5479 -0.1248 -0.2645 0.2203 38 SER B OG 2840 N N . PRO B 63 ? 0.8222 2.0611 1.4363 -0.1423 -0.2294 0.1535 39 PRO B N 2841 C CA . PRO B 63 ? 0.8103 2.0400 1.4428 -0.0948 -0.2078 0.1259 39 PRO B CA 2842 C C . PRO B 63 ? 0.8021 2.1258 1.5090 -0.0367 -0.1958 0.1242 39 PRO B C 2843 O O . PRO B 63 ? 0.5386 1.8431 1.2753 0.0204 -0.1809 0.1004 39 PRO B O 2844 C CB . PRO B 63 ? 0.8463 2.0747 1.4161 -0.1534 -0.1989 0.1257 39 PRO B CB 2845 C CG . PRO B 63 ? 0.8866 2.0408 1.3828 -0.2203 -0.2111 0.1393 39 PRO B CG 2846 C CD . PRO B 63 ? 0.8741 2.0800 1.4061 -0.2246 -0.2304 0.1628 39 PRO B CD 2847 N N . SER B 64 ? 0.5875 1.9893 1.3126 -0.0515 -0.1987 0.1461 40 SER B N 2848 C CA . SER B 64 ? 0.6407 2.1131 1.4331 0.0042 -0.1851 0.1434 40 SER B CA 2849 C C . SER B 64 ? 0.6351 2.0536 1.4700 0.0731 -0.1909 0.1363 40 SER B C 2850 O O . SER B 64 ? 0.6398 2.0632 1.5174 0.1318 -0.1716 0.1177 40 SER B O 2851 C CB . SER B 64 ? 0.6782 2.2478 1.4861 -0.0268 -0.1929 0.1713 40 SER B CB 2852 O OG . SER B 64 ? 0.6932 2.2377 1.4779 -0.0581 -0.2214 0.1973 40 SER B OG 2853 N N . LYS B 65 ? 0.6308 1.9936 1.4465 0.0608 -0.2161 0.1507 41 LYS B N 2854 C CA . LYS B 65 ? 0.5869 1.8922 1.4305 0.1170 -0.2251 0.1465 41 LYS B CA 2855 C C . LYS B 65 ? 0.8151 2.0410 1.6501 0.1535 -0.2077 0.1134 41 LYS B C 2856 O O . LYS B 65 ? 0.8225 2.0148 1.6870 0.2124 -0.1986 0.0996 41 LYS B O 2857 C CB . LYS B 65 ? 0.5962 1.8628 1.4101 0.0833 -0.2563 0.1701 41 LYS B CB 2858 C CG . LYS B 65 ? 0.6353 1.9754 1.4536 0.0481 -0.2773 0.2054 41 LYS B CG 2859 C CD . LYS B 65 ? 0.6694 1.9628 1.4480 0.0086 -0.3079 0.2292 41 LYS B CD 2860 C CE . LYS B 65 ? 0.7172 2.0835 1.4960 -0.0277 -0.3305 0.2664 41 LYS B CE 2861 N NZ . LYS B 65 ? 0.7125 2.1452 1.4677 -0.0837 -0.3182 0.2724 41 LYS B NZ 2862 N N . LEU B 66 ? 0.7894 1.9831 1.5808 0.1161 -0.2038 0.1013 42 LEU B N 2863 C CA . LEU B 66 ? 0.7633 1.8906 1.5432 0.1451 -0.1893 0.0691 42 LEU B CA 2864 C C . LEU B 66 ? 0.7738 1.9309 1.5806 0.1879 -0.1615 0.0493 42 LEU B C 2865 O O . LEU B 66 ? 0.7786 1.8836 1.5960 0.2372 -0.1484 0.0280 42 LEU B O 2866 C CB . LEU B 66 ? 0.7606 1.8192 1.4729 0.0916 -0.1877 0.0587 42 LEU B CB 2867 C CG . LEU B 66 ? 0.7601 1.7102 1.4209 0.0570 -0.1996 0.0572 42 LEU B CG 2868 C CD1 . LEU B 66 ? 0.7741 1.7553 1.4286 0.0161 -0.2197 0.0885 42 LEU B CD1 2869 C CD2 . LEU B 66 ? 0.7675 1.6505 1.3692 0.0180 -0.1934 0.0448 42 LEU B CD2 2870 N N . ALA B 67 ? 0.7790 2.0207 1.5914 0.1635 -0.1507 0.0562 43 ALA B N 2871 C CA . ALA B 67 ? 0.7891 2.0765 1.6269 0.1957 -0.1210 0.0375 43 ALA B CA 2872 C C . ALA B 67 ? 0.8053 2.0934 1.6950 0.2561 -0.1105 0.0363 43 ALA B C 2873 O O . ALA B 67 ? 0.8166 2.0814 1.7174 0.2995 -0.0852 0.0119 43 ALA B O 2874 C CB . ALA B 67 ? 0.8039 2.1947 1.6405 0.1518 -0.1124 0.0482 43 ALA B CB 2875 N N . SER B 68 ? 0.8135 2.1271 1.7313 0.2565 -0.1311 0.0631 44 SER B N 2876 C CA . SER B 68 ? 0.8416 2.1549 1.8116 0.3133 -0.1288 0.0671 44 SER B CA 2877 C C . SER B 68 ? 0.8335 2.0348 1.7880 0.3550 -0.1258 0.0497 44 SER B C 2878 O O . SER B 68 ? 0.8651 2.0429 1.8436 0.4063 -0.1035 0.0347 44 SER B O 2879 C CB . SER B 68 ? 0.8560 2.2110 1.8490 0.2995 -0.1616 0.1016 44 SER B CB 2880 O OG . SER B 68 ? 0.6403 2.0912 1.6323 0.2484 -0.1656 0.1187 44 SER B OG 2881 N N . ALA B 69 ? 0.8006 1.9333 1.7118 0.3300 -0.1459 0.0509 45 ALA B N 2882 C CA . ALA B 69 ? 0.8156 1.8437 1.7033 0.3601 -0.1439 0.0337 45 ALA B CA 2883 C C . ALA B 69 ? 0.8132 1.8025 1.6793 0.3798 -0.1116 -0.0019 45 ALA B C 2884 O O . ALA B 69 ? 0.8569 1.7775 1.7143 0.4192 -0.0967 -0.0193 45 ALA B O 2885 C CB . ALA B 69 ? 0.7814 1.7607 1.6301 0.3237 -0.1692 0.0380 45 ALA B CB 2886 N N . ILE B 70 ? 0.7888 1.8219 1.6396 0.3491 -0.1023 -0.0127 46 ILE B N 2887 C CA . ILE B 70 ? 0.7999 1.8113 1.6284 0.3624 -0.0760 -0.0465 46 ILE B CA 2888 C C . ILE B 70 ? 0.8424 1.8830 1.7017 0.4062 -0.0434 -0.0576 46 ILE B C 2889 O O . ILE B 70 ? 0.8742 1.8544 1.7149 0.4376 -0.0219 -0.0849 46 ILE B O 2890 C CB . ILE B 70 ? 0.7848 1.8504 1.5920 0.3182 -0.0772 -0.0519 46 ILE B CB 2891 C CG1 . ILE B 70 ? 0.7587 1.7774 1.5310 0.2764 -0.1060 -0.0446 46 ILE B CG1 2892 C CG2 . ILE B 70 ? 0.8056 1.8615 1.5922 0.3320 -0.0534 -0.0873 46 ILE B CG2 2893 C CD1 . ILE B 70 ? 0.7592 1.7858 1.4873 0.2225 -0.1083 -0.0422 46 ILE B CD1 2894 N N . GLN B 71 ? 0.8552 1.9883 1.7610 0.4064 -0.0388 -0.0387 47 GLN B N 2895 C CA . GLN B 71 ? 0.9027 2.0730 1.8492 0.4496 -0.0057 -0.0498 47 GLN B CA 2896 C C . GLN B 71 ? 0.9516 2.0415 1.9114 0.5021 -0.0022 -0.0504 47 GLN B C 2897 O O . GLN B 71 ? 0.9929 2.0419 1.9466 0.5395 0.0306 -0.0764 47 GLN B O 2898 C CB . GLN B 71 ? 0.9118 2.2012 1.9141 0.4390 -0.0067 -0.0275 47 GLN B CB 2899 C CG . GLN B 71 ? 0.8825 2.2590 1.8672 0.3835 -0.0051 -0.0263 47 GLN B CG 2900 C CD . GLN B 71 ? 0.9065 2.4064 1.9460 0.3763 0.0040 -0.0118 47 GLN B CD 2901 O OE1 . GLN B 71 ? 0.9472 2.4743 2.0459 0.4223 0.0179 -0.0109 47 GLN B OE1 2902 N NE2 . GLN B 71 ? 0.8871 2.4621 1.9070 0.3173 -0.0037 -0.0006 47 GLN B NE2 2903 N N . LYS B 72 ? 0.9563 2.0220 1.9282 0.5019 -0.0357 -0.0225 48 LYS B N 2904 C CA . LYS B 72 ? 1.0131 2.0018 1.9927 0.5479 -0.0383 -0.0184 48 LYS B CA 2905 C C . LYS B 72 ? 1.0316 1.9042 1.9476 0.5592 -0.0230 -0.0475 48 LYS B C 2906 O O . LYS B 72 ? 1.0923 1.9034 2.0026 0.6021 0.0004 -0.0631 48 LYS B O 2907 C CB . LYS B 72 ? 1.0100 1.9965 2.0021 0.5364 -0.0828 0.0167 48 LYS B CB 2908 C CG . LYS B 72 ? 1.0725 1.9784 2.0664 0.5821 -0.0915 0.0251 48 LYS B CG 2909 C CD . LYS B 72 ? 1.0727 1.9823 2.0726 0.5675 -0.1398 0.0606 48 LYS B CD 2910 C CE . LYS B 72 ? 1.1442 1.9706 2.1397 0.6147 -0.1510 0.0718 48 LYS B CE 2911 N NZ . LYS B 72 ? 1.2169 2.0664 2.2710 0.6702 -0.1348 0.0721 48 LYS B NZ 2912 N N . ALA B 73 ? 0.9861 1.8280 1.8534 0.5193 -0.0363 -0.0573 49 ALA B N 2913 C CA . ALA B 73 ? 1.0042 1.7428 1.8118 0.5226 -0.0279 -0.0882 49 ALA B CA 2914 C C . ALA B 73 ? 1.0495 1.7766 1.8371 0.5389 0.0098 -0.1249 49 ALA B C 2915 O O . ALA B 73 ? 1.0971 1.7378 1.8479 0.5625 0.0274 -0.1499 49 ALA B O 2916 C CB . ALA B 73 ? 0.9408 1.6604 1.7151 0.4761 -0.0533 -0.0922 49 ALA B CB 2917 N N . HIS B 74 ? 1.0468 1.8602 1.8520 0.5228 0.0225 -0.1303 50 HIS B N 2918 C CA . HIS B 74 ? 1.0968 1.9140 1.8832 0.5357 0.0599 -0.1665 50 HIS B CA 2919 C C . HIS B 74 ? 1.1908 1.9881 2.0002 0.5865 0.0941 -0.1726 50 HIS B C 2920 O O . HIS B 74 ? 1.2449 1.9731 2.0154 0.6075 0.1240 -0.2056 50 HIS B O 2921 C CB . HIS B 74 ? 1.0712 1.9984 1.8746 0.5064 0.0667 -0.1682 50 HIS B CB 2922 C CG . HIS B 74 ? 1.1142 2.0577 1.8961 0.5149 0.1071 -0.2077 50 HIS B CG 2923 N ND1 . HIS B 74 ? 1.1166 2.1665 1.9180 0.4978 0.1278 -0.2131 50 HIS B ND1 2924 C CD2 . HIS B 74 ? 1.1691 2.0363 1.9051 0.5330 0.1326 -0.2462 50 HIS B CD2 2925 C CE1 . HIS B 74 ? 1.1624 2.2018 1.9312 0.5057 0.1661 -0.2542 50 HIS B CE1 2926 N NE2 . HIS B 74 ? 1.1961 2.1231 1.9238 0.5272 0.1692 -0.2752 50 HIS B NE2 2927 N N . GLU B 75 ? 1.2161 2.0721 2.0895 0.6051 0.0888 -0.1419 51 GLU B N 2928 C CA . GLU B 75 ? 1.3099 2.1508 2.2214 0.6579 0.1165 -0.1438 51 GLU B CA 2929 C C . GLU B 75 ? 1.3678 2.0767 2.2364 0.6858 0.1167 -0.1519 51 GLU B C 2930 O O . GLU B 75 ? 1.4497 2.1009 2.3088 0.7235 0.1524 -0.1746 51 GLU B O 2931 C CB . GLU B 75 ? 1.3168 2.2461 2.3109 0.6696 0.0962 -0.1065 51 GLU B CB 2932 C CG . GLU B 75 ? 1.4131 2.3483 2.4666 0.7274 0.1223 -0.1089 51 GLU B CG 2933 C CD . GLU B 75 ? 1.4783 2.3153 2.5279 0.7643 0.1045 -0.0957 51 GLU B CD 2934 O OE1 . GLU B 75 ? 1.4546 2.2978 2.5178 0.7534 0.0588 -0.0614 51 GLU B OE1 2935 O OE2 . GLU B 75 ? 1.5616 2.3115 2.5883 0.8020 0.1365 -0.1208 51 GLU B OE2 2936 N N . GLU B 76 ? 1.3336 1.9925 2.1719 0.6643 0.0789 -0.1354 52 GLU B N 2937 C CA . GLU B 76 ? 1.3784 1.9114 2.1647 0.6817 0.0760 -0.1444 52 GLU B CA 2938 C C . GLU B 76 ? 1.3911 1.8445 2.1052 0.6756 0.1056 -0.1904 52 GLU B C 2939 O O . GLU B 76 ? 1.4670 1.8132 2.1353 0.6972 0.1216 -0.2089 52 GLU B O 2940 C CB . GLU B 76 ? 1.3409 1.8487 2.1068 0.6520 0.0313 -0.1226 52 GLU B CB 2941 C CG . GLU B 76 ? 1.4060 1.7888 2.1187 0.6677 0.0239 -0.1293 52 GLU B CG 2942 C CD . GLU B 76 ? 1.3701 1.7406 2.0731 0.6424 -0.0198 -0.1066 52 GLU B CD 2943 O OE1 . GLU B 76 ? 1.3066 1.7677 2.0513 0.6179 -0.0439 -0.0797 52 GLU B OE1 2944 O OE2 . GLU B 76 ? 1.4116 1.6782 2.0613 0.6440 -0.0292 -0.1184 52 GLU B OE2 2945 N N . GLY B 77 ? 1.3368 1.4382 1.5972 0.1938 -0.3066 0.3762 53 GLY B N 2946 C CA . GLY B 77 ? 1.3365 1.3605 1.6060 0.1707 -0.3221 0.3673 53 GLY B CA 2947 C C . GLY B 77 ? 1.2792 1.3035 1.5731 0.1257 -0.3165 0.3773 53 GLY B C 2948 O O . GLY B 77 ? 1.3040 1.2669 1.6169 0.1066 -0.3316 0.3763 53 GLY B O 2949 N N . ILE B 78 ? 1.2050 1.3017 1.5002 0.1110 -0.2968 0.3825 54 ILE B N 2950 C CA . ILE B 78 ? 1.1505 1.2525 1.4620 0.0736 -0.2910 0.3909 54 ILE B CA 2951 C C . ILE B 78 ? 1.1090 1.2075 1.3994 0.0600 -0.2904 0.3559 54 ILE B C 2952 O O . ILE B 78 ? 1.1110 1.2303 1.3757 0.0743 -0.2826 0.3285 54 ILE B O 2953 C CB . ILE B 78 ? 1.1178 1.2911 1.4356 0.0668 -0.2716 0.4115 54 ILE B CB 2954 C CG1 . ILE B 78 ? 1.1172 1.2766 1.4609 0.0385 -0.2702 0.4401 54 ILE B CG1 2955 C CG2 . ILE B 78 ? 0.8179 1.0557 1.1183 0.0597 -0.2554 0.3805 54 ILE B CG2 2956 C CD1 . ILE B 78 ? 1.1002 1.3196 1.4489 0.0416 -0.2540 0.4685 54 ILE B CD1 2957 N N . CYS B 79 ? 1.0745 1.1469 1.3738 0.0358 -0.2967 0.3571 55 CYS B N 2958 C CA . CYS B 79 ? 1.0543 1.1106 1.3223 0.0315 -0.2967 0.3273 55 CYS B CA 2959 C C . CYS B 79 ? 1.0071 1.1044 1.2593 0.0118 -0.2737 0.3287 55 CYS B C 2960 O O . CYS B 79 ? 1.0102 1.1089 1.2240 0.0133 -0.2573 0.3070 55 CYS B O 2961 C CB . CYS B 79 ? 1.0767 1.0746 1.3585 0.0275 -0.3246 0.3179 55 CYS B CB 2962 S SG . CYS B 79 ? 1.7017 1.7076 2.0322 -0.0040 -0.3299 0.3442 55 CYS B SG 2963 N N . GLY B 80 ? 0.9774 1.1030 1.2564 -0.0051 -0.2700 0.3553 56 GLY B N 2964 C CA . GLY B 80 ? 0.9464 1.1079 1.2103 -0.0215 -0.2508 0.3564 56 GLY B CA 2965 C C . GLY B 80 ? 0.9280 1.1312 1.2222 -0.0315 -0.2471 0.3878 56 GLY B C 2966 O O . GLY B 80 ? 0.9357 1.1385 1.2610 -0.0252 -0.2549 0.4130 56 GLY B O 2967 N N . ILE B 81 ? 0.9133 1.1482 1.1934 -0.0437 -0.2326 0.3876 57 ILE B N 2968 C CA . ILE B 81 ? 0.8989 1.1766 1.2016 -0.0489 -0.2293 0.4162 57 ILE B CA 2969 C C . ILE B 81 ? 0.8891 1.1619 1.1816 -0.0625 -0.2300 0.4176 57 ILE B C 2970 O O . ILE B 81 ? 0.8978 1.1377 1.1557 -0.0651 -0.2291 0.3944 57 ILE B O 2971 C CB . ILE B 81 ? 0.7300 1.0728 1.0287 -0.0414 -0.2129 0.4134 57 ILE B CB 2972 C CG1 . ILE B 81 ? 0.7125 1.0729 0.9840 -0.0553 -0.1967 0.3911 57 ILE B CG1 2973 C CG2 . ILE B 81 ? 0.7414 1.0968 1.0402 -0.0249 -0.2109 0.3962 57 ILE B CG2 2974 C CD1 . ILE B 81 ? 0.6916 1.1184 0.9676 -0.0508 -0.1830 0.3748 57 ILE B CD1 2975 N N . ARG B 82 ? 0.8790 1.1842 1.1967 -0.0661 -0.2303 0.4461 58 ARG B N 2976 C CA . ARG B 82 ? 0.8717 1.1844 1.1805 -0.0744 -0.2315 0.4474 58 ARG B CA 2977 C C . ARG B 82 ? 0.8527 1.2237 1.1568 -0.0709 -0.2181 0.4627 58 ARG B C 2978 O O . ARG B 82 ? 0.8376 1.2461 1.1673 -0.0624 -0.2140 0.4904 58 ARG B O 2979 C CB . ARG B 82 ? 0.8811 1.1804 1.2334 -0.0827 -0.2477 0.4629 58 ARG B CB 2980 C CG . ARG B 82 ? 0.9094 1.1546 1.2774 -0.0838 -0.2659 0.4458 58 ARG B CG 2981 C CD . ARG B 82 ? 0.9192 1.1506 1.3100 -0.0912 -0.2860 0.4322 58 ARG B CD 2982 N NE . ARG B 82 ? 0.9212 1.1421 1.2548 -0.0800 -0.2890 0.4036 58 ARG B NE 2983 C CZ . ARG B 82 ? 0.9485 1.1239 1.2472 -0.0660 -0.3026 0.3706 58 ARG B CZ 2984 N NH1 . ARG B 82 ? 0.9600 1.1203 1.1959 -0.0499 -0.2999 0.3507 58 ARG B NH1 2985 N NH2 . ARG B 82 ? 0.9713 1.1122 1.2916 -0.0633 -0.3183 0.3580 58 ARG B NH2 2986 N N . SER B 83 ? 0.8557 1.2295 1.1211 -0.0730 -0.2107 0.4442 59 SER B N 2987 C CA . SER B 83 ? 0.8409 1.2664 1.0979 -0.0676 -0.2016 0.4523 59 SER B CA 2988 C C . SER B 83 ? 0.8380 1.2930 1.1263 -0.0643 -0.2023 0.4810 59 SER B C 2989 O O . SER B 83 ? 0.8452 1.2807 1.1619 -0.0721 -0.2128 0.4925 59 SER B O 2990 C CB . SER B 83 ? 0.8460 1.2491 1.0529 -0.0707 -0.1940 0.4272 59 SER B CB 2991 O OG . SER B 83 ? 0.8621 1.2196 1.0376 -0.0777 -0.1822 0.3973 59 SER B OG 2992 N N . VAL B 84 ? 0.8362 1.3369 1.1209 -0.0532 -0.1870 0.4847 60 VAL B N 2993 C CA . VAL B 84 ? 0.8474 1.3759 1.1544 -0.0494 -0.1767 0.5063 60 VAL B CA 2994 C C . VAL B 84 ? 0.8448 1.3832 1.1228 -0.0468 -0.1745 0.4906 60 VAL B C 2995 O O . VAL B 84 ? 0.8524 1.3994 1.1482 -0.0505 -0.1759 0.5017 60 VAL B O 2996 C CB . VAL B 84 ? 0.8611 1.4326 1.1717 -0.0293 -0.1600 0.5206 60 VAL B CB 2997 C CG1 . VAL B 84 ? 0.8683 1.4700 1.2046 -0.0249 -0.1461 0.5519 60 VAL B CG1 2998 C CG2 . VAL B 84 ? 0.8792 1.4391 1.2051 -0.0229 -0.1622 0.5317 60 VAL B CG2 2999 N N . THR B 85 ? 0.8378 1.3788 1.0742 -0.0398 -0.1730 0.4661 61 THR B N 3000 C CA . THR B 85 ? 0.8389 1.3822 1.0388 -0.0322 -0.1712 0.4500 61 THR B CA 3001 C C . THR B 85 ? 0.8377 1.3382 0.9910 -0.0375 -0.1799 0.4299 61 THR B C 3002 O O . THR B 85 ? 0.8423 1.3206 0.9935 -0.0484 -0.1855 0.4294 61 THR B O 3003 C CB . THR B 85 ? 0.8464 1.4376 1.0359 -0.0134 -0.1596 0.4456 61 THR B CB 3004 O OG1 . THR B 85 ? 0.8611 1.4470 1.0099 -0.0043 -0.1609 0.4267 61 THR B OG1 3005 C CG2 . THR B 85 ? 0.8437 1.4581 1.0324 -0.0089 -0.1611 0.4356 61 THR B CG2 3006 N N . ARG B 86 ? 0.8355 1.3223 0.9468 -0.0277 -0.1795 0.4172 62 ARG B N 3007 C CA . ARG B 86 ? 0.8485 1.2817 0.8982 -0.0288 -0.1827 0.4057 62 ARG B CA 3008 C C . ARG B 86 ? 0.8402 1.2570 0.8770 -0.0424 -0.1651 0.3793 62 ARG B C 3009 O O . ARG B 86 ? 0.8580 1.2230 0.8848 -0.0580 -0.1524 0.3624 62 ARG B O 3010 C CB . ARG B 86 ? 0.8722 1.2938 0.8764 -0.0088 -0.1810 0.3931 62 ARG B CB 3011 C CG . ARG B 86 ? 0.9235 1.2697 0.8481 -0.0043 -0.1729 0.3756 62 ARG B CG 3012 C CD . ARG B 86 ? 0.9459 1.2991 0.8246 0.0184 -0.1740 0.3698 62 ARG B CD 3013 N NE . ARG B 86 ? 1.0172 1.2758 0.8112 0.0296 -0.1602 0.3492 62 ARG B NE 3014 C CZ . ARG B 86 ? 1.0598 1.2897 0.7979 0.0450 -0.1525 0.3346 62 ARG B CZ 3015 N NH1 . ARG B 86 ? 1.0342 1.3305 0.7945 0.0516 -0.1604 0.3346 62 ARG B NH1 3016 N NH2 . ARG B 86 ? 1.1369 1.2662 0.7909 0.0578 -0.1357 0.3200 62 ARG B NH2 3017 N N . LEU B 87 ? 0.8155 1.2812 0.8566 -0.0355 -0.1636 0.3717 63 LEU B N 3018 C CA . LEU B 87 ? 0.8133 1.2764 0.8537 -0.0497 -0.1481 0.3362 63 LEU B CA 3019 C C . LEU B 87 ? 0.7799 1.2631 0.8662 -0.0648 -0.1439 0.3294 63 LEU B C 3020 O O . LEU B 87 ? 0.7932 1.2627 0.8841 -0.0839 -0.1269 0.2953 63 LEU B O 3021 C CB . LEU B 87 ? 0.8032 1.3323 0.8486 -0.0324 -0.1554 0.3268 63 LEU B CB 3022 C CG . LEU B 87 ? 0.8234 1.3472 0.8244 -0.0104 -0.1622 0.3330 63 LEU B CG 3023 C CD1 . LEU B 87 ? 0.6730 1.2684 0.6814 0.0106 -0.1712 0.3197 63 LEU B CD1 3024 C CD2 . LEU B 87 ? 0.8827 1.3086 0.8217 -0.0205 -0.1455 0.3095 63 LEU B CD2 3025 N N . GLU B 88 ? 0.7418 1.2575 0.8639 -0.0562 -0.1577 0.3608 64 GLU B N 3026 C CA . GLU B 88 ? 0.7242 1.2509 0.8821 -0.0640 -0.1562 0.3576 64 GLU B CA 3027 C C . GLU B 88 ? 0.7464 1.1958 0.8832 -0.0837 -0.1430 0.3424 64 GLU B C 3028 O O . GLU B 88 ? 0.7540 1.1961 0.8986 -0.0986 -0.1273 0.3147 64 GLU B O 3029 C CB . GLU B 88 ? 0.7012 1.2605 0.8938 -0.0487 -0.1714 0.3986 64 GLU B CB 3030 C CG . GLU B 88 ? 0.6961 1.2578 0.9187 -0.0503 -0.1723 0.3989 64 GLU B CG 3031 C CD . GLU B 88 ? 0.6930 1.2761 0.9459 -0.0340 -0.1828 0.4419 64 GLU B CD 3032 O OE1 . GLU B 88 ? 0.6953 1.2911 0.9462 -0.0232 -0.1740 0.4540 64 GLU B OE1 3033 O OE2 . GLU B 88 ? 0.7033 1.2665 0.9745 -0.0345 -0.1855 0.4476 64 GLU B OE2 3034 N N . ASN B 89 ? 0.7614 1.1594 0.8720 -0.0805 -0.1490 0.3588 65 ASN B N 3035 C CA . ASN B 89 ? 0.8006 1.1210 0.8760 -0.0887 -0.1376 0.3459 65 ASN B CA 3036 C C . ASN B 89 ? 0.8499 1.1235 0.8824 -0.1020 -0.1075 0.3156 65 ASN B C 3037 O O . ASN B 89 ? 0.8787 1.1095 0.8989 -0.1145 -0.0861 0.2992 65 ASN B O 3038 C CB . ASN B 89 ? 0.8141 1.0983 0.8631 -0.0744 -0.1533 0.3617 65 ASN B CB 3039 C CG . ASN B 89 ? 0.8641 1.0658 0.8595 -0.0709 -0.1423 0.3467 65 ASN B CG 3040 O OD1 . ASN B 89 ? 0.9032 1.0527 0.8360 -0.0617 -0.1295 0.3373 65 ASN B OD1 3041 N ND2 . ASN B 89 ? 0.8697 1.0556 0.8826 -0.0728 -0.1466 0.3449 65 ASN B ND2 3042 N N . LEU B 90 ? 0.8635 1.1439 0.8744 -0.0993 -0.1034 0.3085 66 LEU B N 3043 C CA . LEU B 90 ? 0.9121 1.1439 0.8880 -0.1156 -0.0720 0.2784 66 LEU B CA 3044 C C . LEU B 90 ? 0.9051 1.1757 0.9311 -0.1409 -0.0548 0.2489 66 LEU B C 3045 O O . LEU B 90 ? 0.9474 1.1662 0.9591 -0.1630 -0.0211 0.2263 66 LEU B O 3046 C CB . LEU B 90 ? 0.9201 1.1590 0.8698 -0.1053 -0.0760 0.2733 66 LEU B CB 3047 C CG . LEU B 90 ? 0.9408 1.1388 0.8322 -0.0782 -0.0883 0.2941 66 LEU B CG 3048 C CD1 . LEU B 90 ? 0.9722 1.1576 0.8243 -0.0686 -0.0839 0.2807 66 LEU B CD1 3049 C CD2 . LEU B 90 ? 0.9919 1.0953 0.8245 -0.0731 -0.0725 0.2964 66 LEU B CD2 3050 N N . MET B 91 ? 0.8616 1.2258 0.9456 -0.1346 -0.0760 0.2488 67 MET B N 3051 C CA . MET B 91 ? 0.8539 1.2739 0.9912 -0.1508 -0.0664 0.2165 67 MET B CA 3052 C C . MET B 91 ? 0.8618 1.2547 1.0087 -0.1619 -0.0525 0.2156 67 MET B C 3053 O O . MET B 91 ? 0.8862 1.2720 1.0493 -0.1868 -0.0235 0.1831 67 MET B O 3054 C CB . MET B 91 ? 0.8056 1.3293 0.9902 -0.1277 -0.0956 0.2223 67 MET B CB 3055 C CG . MET B 91 ? 0.6389 1.2330 0.8785 -0.1345 -0.0920 0.1861 67 MET B CG 3056 S SD . MET B 91 ? 0.9713 1.6827 1.2490 -0.0929 -0.1259 0.1942 67 MET B SD 3057 C CE . MET B 91 ? 0.9587 1.6414 1.2253 -0.0713 -0.1414 0.2561 67 MET B CE 3058 N N . TRP B 92 ? 0.8481 1.2281 0.9885 -0.1437 -0.0723 0.2494 68 TRP B N 3059 C CA . TRP B 92 ? 0.8660 1.2157 1.0079 -0.1468 -0.0641 0.2499 68 TRP B CA 3060 C C . TRP B 92 ? 0.9572 1.2217 1.0512 -0.1640 -0.0268 0.2350 68 TRP B C 3061 O O . TRP B 92 ? 0.9785 1.2389 1.0860 -0.1790 -0.0014 0.2147 68 TRP B O 3062 C CB . TRP B 92 ? 0.8270 1.1586 0.9626 -0.1252 -0.0924 0.2852 68 TRP B CB 3063 C CG . TRP B 92 ? 0.7635 1.1648 0.9449 -0.1086 -0.1202 0.3056 68 TRP B CG 3064 C CD1 . TRP B 92 ? 0.7405 1.1567 0.9273 -0.0940 -0.1420 0.3376 68 TRP B CD1 3065 C CD2 . TRP B 92 ? 0.7321 1.1955 0.9565 -0.1013 -0.1252 0.2968 68 TRP B CD2 3066 N NE1 . TRP B 92 ? 0.7099 1.1841 0.9360 -0.0785 -0.1562 0.3539 68 TRP B NE1 3067 C CE2 . TRP B 92 ? 0.7052 1.2083 0.9506 -0.0792 -0.1485 0.3287 68 TRP B CE2 3068 C CE3 . TRP B 92 ? 0.7323 1.2242 0.9791 -0.1088 -0.1105 0.2645 68 TRP B CE3 3069 C CZ2 . TRP B 92 ? 0.6905 1.2516 0.9673 -0.0588 -0.1582 0.3314 68 TRP B CZ2 3070 C CZ3 . TRP B 92 ? 0.7094 1.2704 0.9936 -0.0888 -0.1246 0.2621 68 TRP B CZ3 3071 C CH2 . TRP B 92 ? 0.6919 1.2823 0.9854 -0.0613 -0.1486 0.2963 68 TRP B CH2 3072 N N . LYS B 93 ? 1.0255 1.2225 1.0603 -0.1582 -0.0208 0.2460 69 LYS B N 3073 C CA . LYS B 93 ? 1.1271 1.2293 1.1000 -0.1668 0.0191 0.2374 69 LYS B CA 3074 C C . LYS B 93 ? 1.1866 1.2847 1.1753 -0.2011 0.0609 0.2039 69 LYS B C 3075 O O . LYS B 93 ? 1.2506 1.2793 1.2063 -0.2161 0.1053 0.1945 69 LYS B O 3076 C CB . LYS B 93 ? 1.1636 1.1958 1.0621 -0.1436 0.0128 0.2562 69 LYS B CB 3077 C CG . LYS B 93 ? 1.1551 1.1683 1.0290 -0.1124 -0.0175 0.2796 69 LYS B CG 3078 C CD . LYS B 93 ? 1.1959 1.1519 0.9977 -0.0853 -0.0247 0.2906 69 LYS B CD 3079 C CE . LYS B 93 ? 1.2013 1.1405 0.9819 -0.0536 -0.0546 0.3031 69 LYS B CE 3080 N NZ . LYS B 93 ? 1.1270 1.1469 0.9848 -0.0550 -0.0958 0.3148 69 LYS B NZ 3081 N N . GLN B 94 ? 1.1772 1.3499 1.2174 -0.2123 0.0482 0.1844 70 GLN B N 3082 C CA . GLN B 94 ? 1.2346 1.4129 1.3025 -0.2471 0.0823 0.1436 70 GLN B CA 3083 C C . GLN B 94 ? 1.2172 1.4758 1.3652 -0.2702 0.0933 0.1099 70 GLN B C 3084 O O . GLN B 94 ? 1.2440 1.5101 1.4281 -0.3058 0.1279 0.0695 70 GLN B O 3085 C CB . GLN B 94 ? 1.2323 1.4518 1.3117 -0.2427 0.0606 0.1310 70 GLN B CB 3086 C CG . GLN B 94 ? 1.2962 1.4268 1.2948 -0.2281 0.0646 0.1493 70 GLN B CG 3087 C CD . GLN B 94 ? 1.2782 1.4638 1.2860 -0.2118 0.0329 0.1438 70 GLN B CD 3088 O OE1 . GLN B 94 ? 1.2374 1.5220 1.3100 -0.2138 0.0132 0.1208 70 GLN B OE1 3089 N NE2 . GLN B 94 ? 1.3100 1.4353 1.2486 -0.1892 0.0269 0.1638 70 GLN B NE2 3090 N N . ILE B 95 ? 1.1780 1.4965 1.3559 -0.2497 0.0646 0.1238 71 ILE B N 3091 C CA . ILE B 95 ? 1.1620 1.5687 1.4135 -0.2616 0.0684 0.0910 71 ILE B CA 3092 C C . ILE B 95 ? 1.1615 1.5537 1.4072 -0.2513 0.0738 0.1061 71 ILE B C 3093 O O . ILE B 95 ? 1.1465 1.6075 1.4470 -0.2574 0.0794 0.0796 71 ILE B O 3094 C CB . ILE B 95 ? 1.1090 1.6310 1.4137 -0.2388 0.0242 0.0814 71 ILE B CB 3095 C CG1 . ILE B 95 ? 1.1043 1.7270 1.4886 -0.2547 0.0326 0.0272 71 ILE B CG1 3096 C CG2 . ILE B 95 ? 1.0698 1.6050 1.3606 -0.1997 -0.0143 0.1252 71 ILE B CG2 3097 C CD1 . ILE B 95 ? 1.0611 1.7984 1.4883 -0.2237 -0.0094 0.0124 71 ILE B CD1 3098 N N . THR B 96 ? 1.1784 1.4853 1.3576 -0.2321 0.0701 0.1443 72 THR B N 3099 C CA . THR B 96 ? 1.1853 1.4684 1.3493 -0.2170 0.0723 0.1574 72 THR B CA 3100 C C . THR B 96 ? 1.2286 1.5052 1.4076 -0.2417 0.1226 0.1302 72 THR B C 3101 O O . THR B 96 ? 1.2069 1.5392 1.4242 -0.2345 0.1181 0.1187 72 THR B O 3102 C CB . THR B 96 ? 1.2093 1.3980 1.2957 -0.1912 0.0618 0.1937 72 THR B CB 3103 O OG1 . THR B 96 ? 1.1712 1.3767 1.2561 -0.1717 0.0177 0.2172 72 THR B OG1 3104 C CG2 . THR B 96 ? 1.2156 1.3878 1.2899 -0.1699 0.0560 0.2023 72 THR B CG2 3105 N N . PRO B 97 ? 1.3019 1.5087 1.4496 -0.2694 0.1737 0.1209 73 PRO B N 3106 C CA . PRO B 97 ? 1.3463 1.5489 1.5137 -0.2952 0.2284 0.0981 73 PRO B CA 3107 C C . PRO B 97 ? 1.2988 1.6261 1.5707 -0.3208 0.2296 0.0513 73 PRO B C 3108 O O . PRO B 97 ? 1.3050 1.6752 1.6112 -0.3240 0.2483 0.0352 73 PRO B O 3109 C CB . PRO B 97 ? 1.4392 1.5409 1.5580 -0.3232 0.2848 0.0977 73 PRO B CB 3110 C CG . PRO B 97 ? 1.4188 1.5155 1.5279 -0.3219 0.2548 0.1004 73 PRO B CG 3111 C CD . PRO B 97 ? 1.3494 1.4787 1.4449 -0.2786 0.1891 0.1293 73 PRO B CD 3112 N N . GLU B 98 ? 1.2444 1.6350 1.5645 -0.3332 0.2074 0.0271 74 GLU B N 3113 C CA . GLU B 98 ? 1.1874 1.7093 1.6067 -0.3483 0.1994 -0.0237 74 GLU B CA 3114 C C . GLU B 98 ? 1.1385 1.7401 1.5791 -0.3065 0.1538 -0.0153 74 GLU B C 3115 O O . GLU B 98 ? 1.1339 1.8226 1.6361 -0.3097 0.1605 -0.0496 74 GLU B O 3116 C CB . GLU B 98 ? 1.1368 1.7086 1.5911 -0.3575 0.1763 -0.0504 74 GLU B CB 3117 C CG . GLU B 98 ? 1.0772 1.7937 1.6346 -0.3675 0.1643 -0.1121 74 GLU B CG 3118 C CD . GLU B 98 ? 1.0406 1.8081 1.6276 -0.3696 0.1383 -0.1425 74 GLU B CD 3119 O OE1 . GLU B 98 ? 1.0156 1.8989 1.6883 -0.3805 0.1315 -0.2037 74 GLU B OE1 3120 O OE2 . GLU B 98 ? 1.0409 1.7391 1.5663 -0.3567 0.1228 -0.1089 74 GLU B OE2 3121 N N . LEU B 99 ? 1.1083 1.6780 1.4988 -0.2672 0.1092 0.0295 75 LEU B N 3122 C CA . LEU B 99 ? 1.0712 1.6932 1.4717 -0.2259 0.0674 0.0444 75 LEU B CA 3123 C C . LEU B 99 ? 1.1033 1.7043 1.4927 -0.2187 0.0869 0.0467 75 LEU B C 3124 O O . LEU B 99 ? 1.0893 1.7731 1.5256 -0.2062 0.0805 0.0219 75 LEU B O 3125 C CB . LEU B 99 ? 0.7115 1.2857 1.0620 -0.1936 0.0252 0.0939 75 LEU B CB 3126 C CG . LEU B 99 ? 0.6727 1.3087 1.0456 -0.1796 -0.0086 0.0949 75 LEU B CG 3127 C CD1 . LEU B 99 ? 0.6680 1.2523 0.9956 -0.1538 -0.0406 0.1462 75 LEU B CD1 3128 C CD2 . LEU B 99 ? 0.6426 1.3921 1.0713 -0.1555 -0.0306 0.0692 75 LEU B CD2 3129 N N . ASN B 100 ? 1.1602 1.6534 1.4831 -0.2205 0.1097 0.0747 76 ASN B N 3130 C CA . ASN B 100 ? 1.2062 1.6710 1.5072 -0.2094 0.1314 0.0777 76 ASN B CA 3131 C C . ASN B 100 ? 1.2400 1.7669 1.5987 -0.2403 0.1805 0.0344 76 ASN B C 3132 O O . ASN B 100 ? 1.2484 1.8039 1.6172 -0.2257 0.1901 0.0256 76 ASN B O 3133 C CB . ASN B 100 ? 1.2655 1.6038 1.4782 -0.2027 0.1518 0.1106 76 ASN B CB 3134 C CG . ASN B 100 ? 1.2534 1.5474 1.4190 -0.1591 0.1037 0.1443 76 ASN B CG 3135 O OD1 . ASN B 100 ? 1.2252 1.5638 1.4146 -0.1336 0.0718 0.1435 76 ASN B OD1 3136 N ND2 . ASN B 100 ? 1.2798 1.4854 1.3795 -0.1494 0.0983 0.1708 76 ASN B ND2 3137 N N . HIS B 101 ? 1.2622 1.8126 1.6629 -0.2836 0.2118 0.0044 77 HIS B N 3138 C CA . HIS B 101 ? 1.2915 1.9141 1.7671 -0.3217 0.2597 -0.0449 77 HIS B CA 3139 C C . HIS B 101 ? 1.2291 1.9988 1.7871 -0.3040 0.2229 -0.0841 77 HIS B C 3140 O O . HIS B 101 ? 1.2359 2.0744 1.8389 -0.3045 0.2426 -0.1122 77 HIS B O 3141 C CB . HIS B 101 ? 1.3357 1.9382 1.8392 -0.3747 0.2998 -0.0708 77 HIS B CB 3142 C CG . HIS B 101 ? 1.3799 2.0309 1.9588 -0.4248 0.3636 -0.1190 77 HIS B CG 3143 N ND1 . HIS B 101 ? 1.4473 2.0505 2.0042 -0.4354 0.4221 -0.1086 77 HIS B ND1 3144 C CD2 . HIS B 101 ? 1.3770 2.1235 2.0578 -0.4679 0.3799 -0.1806 77 HIS B CD2 3145 C CE1 . HIS B 101 ? 1.4820 2.1489 2.1280 -0.4871 0.4761 -0.1588 77 HIS B CE1 3146 N NE2 . HIS B 101 ? 1.4400 2.1961 2.1665 -0.5093 0.4500 -0.2064 77 HIS B NE2 3147 N N . ILE B 102 ? 1.1401 1.9588 1.7124 -0.2831 0.1704 -0.0851 78 ILE B N 3148 C CA . ILE B 102 ? 1.0741 2.0268 1.7086 -0.2532 0.1301 -0.1182 78 ILE B CA 3149 C C . ILE B 102 ? 1.0623 2.0276 1.6746 -0.2062 0.1076 -0.0995 78 ILE B C 3150 O O . ILE B 102 ? 1.0542 2.1253 1.7215 -0.1913 0.1039 -0.1381 78 ILE B O 3151 C CB . ILE B 102 ? 1.0333 2.0117 1.6607 -0.2268 0.0783 -0.1068 78 ILE B CB 3152 C CG1 . ILE B 102 ? 1.0299 2.0227 1.6926 -0.2682 0.0953 -0.1403 78 ILE B CG1 3153 C CG2 . ILE B 102 ? 1.0018 2.1009 1.6683 -0.1788 0.0343 -0.1289 78 ILE B CG2 3154 C CD1 . ILE B 102 ? 0.9932 2.0106 1.6431 -0.2398 0.0482 -0.1289 78 ILE B CD1 3155 N N . LEU B 103 ? 1.0616 1.9202 1.5945 -0.1813 0.0913 -0.0442 79 LEU B N 3156 C CA . LEU B 103 ? 1.0607 1.9088 1.5636 -0.1361 0.0676 -0.0239 79 LEU B CA 3157 C C . LEU B 103 ? 1.0861 1.9737 1.6148 -0.1417 0.1055 -0.0538 79 LEU B C 3158 O O . LEU B 103 ? 1.0698 2.0475 1.6343 -0.1116 0.0884 -0.0790 79 LEU B O 3159 C CB . LEU B 103 ? 1.0802 1.7978 1.4998 -0.1207 0.0539 0.0307 79 LEU B CB 3160 C CG . LEU B 103 ? 1.0510 1.7410 1.4435 -0.0878 0.0002 0.0682 79 LEU B CG 3161 C CD1 . LEU B 103 ? 1.0188 1.7400 1.4330 -0.1035 -0.0105 0.0669 79 LEU B CD1 3162 C CD2 . LEU B 103 ? 1.0755 1.6469 1.3994 -0.0773 -0.0095 0.1102 79 LEU B CD2 3163 N N . SER B 104 ? 1.1359 1.9545 1.6413 -0.1762 0.1591 -0.0492 80 SER B N 3164 C CA . SER B 104 ? 1.1739 2.0200 1.6983 -0.1846 0.2064 -0.0717 80 SER B CA 3165 C C . SER B 104 ? 1.1483 2.1439 1.7781 -0.2053 0.2223 -0.1344 80 SER B C 3166 O O . SER B 104 ? 1.1464 2.2224 1.8067 -0.1797 0.2201 -0.1584 80 SER B O 3167 C CB . SER B 104 ? 1.2423 1.9852 1.7231 -0.2221 0.2704 -0.0547 80 SER B CB 3168 O OG . SER B 104 ? 1.2902 2.0519 1.7810 -0.2266 0.3217 -0.0692 80 SER B OG 3169 N N . GLU B 105 ? 1.1267 2.1632 1.8133 -0.2487 0.2352 -0.1650 81 GLU B N 3170 C CA . GLU B 105 ? 1.1005 2.2867 1.8985 -0.2726 0.2482 -0.2347 81 GLU B CA 3171 C C . GLU B 105 ? 1.0403 2.3474 1.8702 -0.2160 0.1867 -0.2586 81 GLU B C 3172 O O . GLU B 105 ? 1.0318 2.4728 1.9416 -0.2137 0.1932 -0.3152 81 GLU B O 3173 C CB . GLU B 105 ? 1.1027 2.2993 1.9491 -0.3245 0.2633 -0.2640 81 GLU B CB 3174 C CG . GLU B 105 ? 1.1792 2.2659 2.0058 -0.3844 0.3340 -0.2512 81 GLU B CG 3175 C CD . GLU B 105 ? 1.2130 2.3094 2.0905 -0.4342 0.3465 -0.2858 81 GLU B CD 3176 O OE1 . GLU B 105 ? 1.1742 2.3371 2.0756 -0.4132 0.2911 -0.3045 81 GLU B OE1 3177 O OE2 . GLU B 105 ? 1.2868 2.3205 2.1771 -0.4916 0.4133 -0.2942 81 GLU B OE2 3178 N N . ASN B 106 ? 1.0296 2.5981 2.4497 0.2083 -0.0385 0.4890 82 ASN B N 3179 C CA . ASN B 106 ? 1.0237 2.5869 2.4121 0.2449 -0.0824 0.4522 82 ASN B CA 3180 C C . ASN B 106 ? 1.0208 2.5919 2.3235 0.2913 -0.0610 0.4561 82 ASN B C 3181 O O . ASN B 106 ? 1.0277 2.5593 2.2475 0.3216 -0.0917 0.4338 82 ASN B O 3182 C CB . ASN B 106 ? 1.0210 2.5152 2.3557 0.2367 -0.1339 0.4278 82 ASN B CB 3183 C CG . ASN B 106 ? 1.0304 2.5184 2.4522 0.1978 -0.1652 0.4114 82 ASN B CG 3184 O OD1 . ASN B 106 ? 1.0463 2.5843 2.5739 0.1823 -0.1558 0.4112 82 ASN B OD1 3185 N ND2 . ASN B 106 ? 1.0271 2.4523 2.4019 0.1827 -0.2026 0.3952 82 ASN B ND2 3186 N N . GLU B 107 ? 1.0123 2.6298 2.3304 0.2970 -0.0085 0.4839 83 GLU B N 3187 C CA . GLU B 107 ? 1.0164 2.6550 2.2726 0.3420 0.0144 0.4840 83 GLU B CA 3188 C C . GLU B 107 ? 1.0059 2.5846 2.1255 0.3680 0.0131 0.4808 83 GLU B C 3189 O O . GLU B 107 ? 1.0181 2.5678 2.0785 0.4006 -0.0202 0.4517 83 GLU B O 3190 C CB . GLU B 107 ? 1.0286 2.7037 2.3293 0.3726 -0.0165 0.4503 83 GLU B CB 3191 C CG . GLU B 107 ? 1.0272 2.7618 2.4682 0.3500 -0.0223 0.4436 83 GLU B CG 3192 C CD . GLU B 107 ? 1.0442 2.8058 2.5266 0.3813 -0.0644 0.4030 83 GLU B CD 3193 O OE1 . GLU B 107 ? 1.0566 2.7904 2.4546 0.4217 -0.0840 0.3847 83 GLU B OE1 3194 O OE2 . GLU B 107 ? 1.0505 2.8579 2.6484 0.3664 -0.0793 0.3874 83 GLU B OE2 3195 N N . VAL B 108 ? 0.9893 2.5460 2.0581 0.3545 0.0487 0.5093 84 VAL B N 3196 C CA . VAL B 108 ? 0.9875 2.4934 1.9310 0.3803 0.0555 0.5061 84 VAL B CA 3197 C C . VAL B 108 ? 0.9829 2.4873 1.8965 0.3670 0.1036 0.5413 84 VAL B C 3198 O O . VAL B 108 ? 0.9779 2.4951 1.9554 0.3291 0.1197 0.5669 84 VAL B O 3199 C CB . VAL B 108 ? 0.7723 2.2064 1.6578 0.3745 0.0101 0.4829 84 VAL B CB 3200 C CG1 . VAL B 108 ? 0.7553 2.1644 1.6680 0.3275 0.0100 0.4999 84 VAL B CG1 3201 C CG2 . VAL B 108 ? 0.7842 2.1650 1.5412 0.4107 0.0109 0.4689 84 VAL B CG2 3202 N N . LYS B 109 ? 0.9922 2.4764 1.8064 0.3998 0.1245 0.5406 85 LYS B N 3203 C CA . LYS B 109 ? 0.9903 2.4719 1.7644 0.3961 0.1679 0.5709 85 LYS B CA 3204 C C . LYS B 109 ? 0.9559 2.3704 1.6380 0.3957 0.1623 0.5638 85 LYS B C 3205 O O . LYS B 109 ? 0.9695 2.3632 1.5624 0.4265 0.1796 0.5588 85 LYS B O 3206 C CB . LYS B 109 ? 1.0329 2.5512 1.7702 0.4353 0.2005 0.5761 85 LYS B CB 3207 C CG . LYS B 109 ? 1.0509 2.5520 1.7173 0.4806 0.1805 0.5394 85 LYS B CG 3208 C CD . LYS B 109 ? 0.9056 2.4438 1.5387 0.5174 0.2113 0.5432 85 LYS B CD 3209 C CE . LYS B 109 ? 0.9243 2.4231 1.4594 0.5610 0.1948 0.5073 85 LYS B CE 3210 N NZ . LYS B 109 ? 0.9200 2.4001 1.4686 0.5703 0.1503 0.4733 85 LYS B NZ 3211 N N . LEU B 110 ? 0.9135 2.2937 1.6194 0.3609 0.1366 0.5607 86 LEU B N 3212 C CA . LEU B 110 ? 0.8858 2.2043 1.5142 0.3574 0.1295 0.5520 86 LEU B CA 3213 C C . LEU B 110 ? 0.8568 2.1648 1.5172 0.3155 0.1447 0.5786 86 LEU B C 3214 O O . LEU B 110 ? 0.8400 2.1603 1.5865 0.2765 0.1330 0.5896 86 LEU B O 3215 C CB . LEU B 110 ? 0.8784 2.1364 1.4708 0.3550 0.0799 0.5154 86 LEU B CB 3216 C CG . LEU B 110 ? 0.8800 2.0326 1.3637 0.3419 0.0690 0.4909 86 LEU B CG 3217 C CD1 . LEU B 110 ? 0.8941 2.0341 1.2909 0.3783 0.0985 0.4886 86 LEU B CD1 3218 C CD2 . LEU B 110 ? 0.8964 1.9718 1.3251 0.3391 0.0232 0.4513 86 LEU B CD2 3219 N N . THR B 111 ? 0.8515 2.1313 1.4401 0.3246 0.1684 0.5855 87 THR B N 3220 C CA . THR B 111 ? 0.8306 2.0916 1.4353 0.2893 0.1822 0.6087 87 THR B CA 3221 C C . THR B 111 ? 0.8231 1.9978 1.3708 0.2655 0.1524 0.5783 87 THR B C 3222 O O . THR B 111 ? 0.8408 1.9570 1.2863 0.2850 0.1519 0.5530 87 THR B O 3223 C CB . THR B 111 ? 0.8457 2.1051 1.3904 0.3107 0.2216 0.6294 87 THR B CB 3224 O OG1 . THR B 111 ? 0.8815 2.1920 1.4530 0.3297 0.2445 0.6497 87 THR B OG1 3225 C CG2 . THR B 111 ? 0.8323 2.0667 1.3947 0.2756 0.2317 0.6539 87 THR B CG2 3226 N N . ILE B 112 ? 0.8145 1.9690 1.4213 0.2209 0.1257 0.5755 88 ILE B N 3227 C CA . ILE B 112 ? 0.8215 1.8834 1.3698 0.1927 0.0964 0.5428 88 ILE B CA 3228 C C . ILE B 112 ? 0.8242 1.8651 1.3686 0.1689 0.1146 0.5605 88 ILE B C 3229 O O . ILE B 112 ? 0.8178 1.9036 1.4494 0.1453 0.1280 0.5958 88 ILE B O 3230 C CB . ILE B 112 ? 0.8143 1.8585 1.4183 0.1592 0.0540 0.5244 88 ILE B CB 3231 C CG1 . ILE B 112 ? 0.8297 1.8890 1.4311 0.1859 0.0319 0.5048 88 ILE B CG1 3232 C CG2 . ILE B 112 ? 0.8152 1.7658 1.3547 0.1311 0.0272 0.4904 88 ILE B CG2 3233 C CD1 . ILE B 112 ? 0.8252 1.8710 1.4787 0.1595 -0.0121 0.4853 88 ILE B CD1 3234 N N . MET B 113 ? 0.8380 1.8096 1.2836 0.1757 0.1145 0.5351 89 MET B N 3235 C CA . MET B 113 ? 0.8402 1.7849 1.2717 0.1573 0.1280 0.5456 89 MET B CA 3236 C C . MET B 113 ? 0.8333 1.6872 1.2101 0.1294 0.0978 0.5033 89 MET B C 3237 O O . MET B 113 ? 0.8414 1.6422 1.1406 0.1428 0.0834 0.4652 89 MET B O 3238 C CB . MET B 113 ? 0.8637 1.8218 1.2305 0.1983 0.1635 0.5573 89 MET B CB 3239 C CG . MET B 113 ? 0.8684 1.8465 1.2601 0.1893 0.1902 0.5945 89 MET B CG 3240 S SD . MET B 113 ? 2.1295 3.1296 2.4409 0.2451 0.2306 0.6078 89 MET B SD 3241 C CE . MET B 113 ? 0.9856 1.9780 1.3325 0.2261 0.2413 0.6433 89 MET B CE 3242 N N . THR B 114 ? 0.8207 1.6574 1.2409 0.0903 0.0890 0.5101 90 THR B N 3243 C CA . THR B 114 ? 0.8179 1.5744 1.1946 0.0616 0.0619 0.4702 90 THR B CA 3244 C C . THR B 114 ? 0.8240 1.5521 1.1767 0.0527 0.0749 0.4735 90 THR B C 3245 O O . THR B 114 ? 0.8118 1.5745 1.2280 0.0387 0.0874 0.5097 90 THR B O 3246 C CB . THR B 114 ? 0.5912 1.3425 1.0412 0.0197 0.0283 0.4630 90 THR B CB 3247 O OG1 . THR B 114 ? 0.6340 1.4148 1.1680 -0.0081 0.0340 0.4949 90 THR B OG1 3248 C CG2 . THR B 114 ? 0.5947 1.3909 1.0922 0.0294 0.0158 0.4683 90 THR B CG2 3249 N N . GLY B 115 ? 0.8569 1.5205 1.1194 0.0612 0.0715 0.4350 91 GLY B N 3250 C CA . GLY B 115 ? 0.8725 1.5005 1.1069 0.0532 0.0774 0.4278 91 GLY B CA 3251 C C . GLY B 115 ? 0.8710 1.4412 1.1134 0.0099 0.0471 0.3946 91 GLY B C 3252 O O . GLY B 115 ? 0.8566 1.4179 1.1270 -0.0129 0.0227 0.3807 91 GLY B O 3253 N N . ASP B 116 ? 0.8880 1.4198 1.1049 0.0006 0.0473 0.3800 92 ASP B N 3254 C CA . ASP B 116 ? 0.8939 1.3736 1.1204 -0.0398 0.0198 0.3468 92 ASP B CA 3255 C C . ASP B 116 ? 0.9271 1.3416 1.0747 -0.0404 0.0080 0.2919 92 ASP B C 3256 O O . ASP B 116 ? 0.9390 1.3480 1.0309 -0.0115 0.0184 0.2815 92 ASP B O 3257 C CB . ASP B 116 ? 0.8873 1.3534 1.1245 -0.0496 0.0232 0.3527 92 ASP B CB 3258 C CG . ASP B 116 ? 0.8895 1.4142 1.2006 -0.0493 0.0384 0.4109 92 ASP B CG 3259 O OD1 . ASP B 116 ? 0.9055 1.4320 1.2015 -0.0343 0.0548 0.4288 92 ASP B OD1 3260 O OD2 . ASP B 116 ? 0.8808 1.4494 1.2660 -0.0633 0.0342 0.4388 92 ASP B OD2 3261 N N . ILE B 117 ? 0.9487 1.3140 1.0943 -0.0738 -0.0129 0.2570 93 ILE B N 3262 C CA . ILE B 117 ? 0.9876 1.2877 1.0609 -0.0789 -0.0205 0.2046 93 ILE B CA 3263 C C . ILE B 117 ? 0.9988 1.2546 1.0512 -0.0933 -0.0234 0.1717 93 ILE B C 3264 O O . ILE B 117 ? 0.9806 1.2398 1.0852 -0.1194 -0.0368 0.1765 93 ILE B O 3265 C CB . ILE B 117 ? 1.0049 1.2839 1.0886 -0.1065 -0.0456 0.1851 93 ILE B CB 3266 C CG1 . ILE B 117 ? 0.9949 1.2929 1.1623 -0.1425 -0.0685 0.1962 93 ILE B CG1 3267 C CG2 . ILE B 117 ? 1.0224 1.3298 1.1023 -0.0852 -0.0440 0.2041 93 ILE B CG2 3268 C CD1 . ILE B 117 ? 1.0028 1.2796 1.1795 -0.1683 -0.0965 0.1725 93 ILE B CD1 3269 N N . LYS B 118 ? 1.0254 1.2400 1.0056 -0.0755 -0.0120 0.1367 94 LYS B N 3270 C CA . LYS B 118 ? 1.0283 1.1993 0.9862 -0.0862 -0.0149 0.0979 94 LYS B CA 3271 C C . LYS B 118 ? 1.0376 1.1493 0.9279 -0.0878 -0.0122 0.0460 94 LYS B C 3272 O O . LYS B 118 ? 1.0617 1.1679 0.9050 -0.0605 0.0020 0.0435 94 LYS B O 3273 C CB . LYS B 118 ? 1.0408 1.2318 0.9887 -0.0541 0.0015 0.1134 94 LYS B CB 3274 C CG . LYS B 118 ? 1.0399 1.2861 1.0505 -0.0516 0.0042 0.1686 94 LYS B CG 3275 C CD . LYS B 118 ? 1.0656 1.3284 1.0513 -0.0140 0.0226 0.1847 94 LYS B CD 3276 C CE . LYS B 118 ? 1.0788 1.3922 1.1243 -0.0130 0.0288 0.2432 94 LYS B CE 3277 N NZ . LYS B 118 ? 1.1106 1.4328 1.1255 0.0226 0.0445 0.2575 94 LYS B NZ 3278 N N . GLY B 119 ? 1.0208 1.0884 0.9088 -0.1200 -0.0251 0.0045 95 GLY B N 3279 C CA . GLY B 119 ? 1.0265 1.0360 0.8558 -0.1265 -0.0196 -0.0449 95 GLY B CA 3280 C C . GLY B 119 ? 1.0386 1.0310 0.8425 -0.1352 -0.0224 -0.0450 95 GLY B C 3281 O O . GLY B 119 ? 1.0367 1.0490 0.8770 -0.1535 -0.0390 -0.0251 95 GLY B O 3282 N N . ILE B 120 ? 1.0550 1.0084 0.7967 -0.1209 -0.0075 -0.0684 96 ILE B N 3283 C CA . ILE B 120 ? 1.0736 1.0013 0.7785 -0.1249 -0.0086 -0.0692 96 ILE B CA 3284 C C . ILE B 120 ? 1.0655 1.0397 0.7828 -0.0982 -0.0102 -0.0229 96 ILE B C 3285 O O . ILE B 120 ? 1.0633 1.0707 0.7816 -0.0645 0.0023 -0.0016 96 ILE B O 3286 C CB . ILE B 120 ? 1.1101 0.9789 0.7464 -0.1160 0.0100 -0.1054 96 ILE B CB 3287 C CG1 . ILE B 120 ? 1.1121 0.9366 0.7410 -0.1433 0.0137 -0.1551 96 ILE B CG1 3288 C CG2 . ILE B 120 ? 1.1457 0.9825 0.7381 -0.1185 0.0088 -0.1023 96 ILE B CG2 3289 C CD1 . ILE B 120 ? 1.1185 0.9160 0.7469 -0.1190 0.0286 -0.1684 96 ILE B CD1 3290 N N . MET B 121 ? 1.0599 1.0381 0.7870 -0.1119 -0.0265 -0.0097 97 MET B N 3291 C CA . MET B 121 ? 1.0516 1.0722 0.7930 -0.0879 -0.0307 0.0290 97 MET B CA 3292 C C . MET B 121 ? 1.0793 1.0603 0.7501 -0.0655 -0.0211 0.0194 97 MET B C 3293 O O . MET B 121 ? 1.1080 1.0533 0.7466 -0.0767 -0.0318 0.0100 97 MET B O 3294 C CB . MET B 121 ? 1.0446 1.0892 0.8349 -0.1106 -0.0567 0.0445 97 MET B CB 3295 C CG . MET B 121 ? 1.0075 1.0802 0.8687 -0.1382 -0.0691 0.0486 97 MET B CG 3296 S SD . MET B 121 ? 1.4930 1.6017 1.4258 -0.1614 -0.1022 0.0667 97 MET B SD 3297 C CE . MET B 121 ? 0.9611 1.0802 0.9613 -0.1954 -0.1136 0.0583 97 MET B CE 3298 N N . GLN B 122 ? 1.0702 1.0562 0.7158 -0.0323 -0.0019 0.0215 98 GLN B N 3299 C CA . GLN B 122 ? 1.0929 1.0376 0.6734 -0.0088 0.0083 0.0097 98 GLN B CA 3300 C C . GLN B 122 ? 1.1157 1.0697 0.6882 0.0029 -0.0055 0.0329 98 GLN B C 3301 O O . GLN B 122 ? 1.0984 1.1151 0.7202 0.0157 -0.0145 0.0668 98 GLN B O 3302 C CB . GLN B 122 ? 1.0801 1.0445 0.6489 0.0302 0.0270 0.0121 98 GLN B CB 3303 C CG . GLN B 122 ? 1.0625 0.9949 0.6153 0.0252 0.0406 -0.0240 98 GLN B CG 3304 C CD . GLN B 122 ? 1.0869 0.9395 0.5849 0.0079 0.0472 -0.0653 98 GLN B CD 3305 O OE1 . GLN B 122 ? 1.1223 0.9406 0.5770 0.0184 0.0493 -0.0658 98 GLN B OE1 3306 N NE2 . GLN B 122 ? 1.0755 0.8971 0.5760 -0.0187 0.0513 -0.0999 98 GLN B NE2 3307 N N . ALA B 123 ? 1.1568 1.0469 0.6675 -0.0013 -0.0068 0.0141 99 ALA B N 3308 C CA . ALA B 123 ? 1.1851 1.0726 0.6772 0.0116 -0.0226 0.0317 99 ALA B CA 3309 C C . ALA B 123 ? 1.1861 1.1071 0.6757 0.0563 -0.0165 0.0526 99 ALA B C 3310 O O . ALA B 123 ? 1.1762 1.0995 0.6548 0.0773 0.0023 0.0453 99 ALA B O 3311 C CB . ALA B 123 ? 1.2448 1.0480 0.6619 -0.0018 -0.0222 0.0071 99 ALA B CB 3312 N N . GLY B 124 ? 1.1953 1.1439 0.6969 0.0723 -0.0343 0.0760 100 GLY B N 3313 C CA . GLY B 124 ? 1.2131 1.1901 0.7086 0.1157 -0.0316 0.0932 100 GLY B CA 3314 C C . GLY B 124 ? 1.2768 1.1904 0.7033 0.1283 -0.0416 0.0846 100 GLY B C 3315 O O . GLY B 124 ? 1.3063 1.1879 0.7139 0.1095 -0.0602 0.0818 100 GLY B O 3316 N N . LYS B 125 ? 1.3056 1.1990 0.6924 0.1619 -0.0303 0.0800 101 LYS B N 3317 C CA . LYS B 125 ? 1.3648 1.1885 0.6806 0.1757 -0.0379 0.0720 101 LYS B CA 3318 C C . LYS B 125 ? 1.3920 1.2441 0.7191 0.1958 -0.0652 0.0943 101 LYS B C 3319 O O . LYS B 125 ? 1.4462 1.2383 0.7164 0.1981 -0.0796 0.0904 101 LYS B O 3320 C CB . LYS B 125 ? 1.3773 1.1730 0.6554 0.2075 -0.0202 0.0595 101 LYS B CB 3321 C CG . LYS B 125 ? 1.3544 1.1134 0.6178 0.1902 0.0046 0.0311 101 LYS B CG 3322 C CD . LYS B 125 ? 1.3785 1.0540 0.5941 0.1505 0.0089 0.0091 101 LYS B CD 3323 C CE . LYS B 125 ? 1.3649 1.0051 0.5778 0.1353 0.0334 -0.0233 101 LYS B CE 3324 N NZ . LYS B 125 ? 1.3884 0.9588 0.5825 0.0965 0.0407 -0.0438 101 LYS B NZ 3325 N N . ARG B 126 ? 1.3590 1.3021 0.7597 0.2110 -0.0719 0.1175 102 ARG B N 3326 C CA . ARG B 126 ? 1.3855 1.3659 0.8112 0.2304 -0.0989 0.1361 102 ARG B CA 3327 C C . ARG B 126 ? 1.3560 1.3672 0.8335 0.1996 -0.1197 0.1438 102 ARG B C 3328 O O . ARG B 126 ? 1.3341 1.3321 0.8221 0.1628 -0.1135 0.1344 102 ARG B O 3329 C CB . ARG B 126 ? 1.3765 1.4405 0.8551 0.2692 -0.0939 0.1557 102 ARG B CB 3330 C CG . ARG B 126 ? 1.4246 1.4596 0.8511 0.3091 -0.0842 0.1471 102 ARG B CG 3331 C CD . ARG B 126 ? 1.4322 1.5431 0.9025 0.3517 -0.0916 0.1653 102 ARG B CD 3332 N NE . ARG B 126 ? 1.4802 1.5634 0.9021 0.3918 -0.0848 0.1544 102 ARG B NE 3333 C CZ . ARG B 126 ? 1.5006 1.6361 0.9448 0.4348 -0.0912 0.1636 102 ARG B CZ 3334 N NH1 . ARG B 126 ? 1.4796 1.6996 0.9962 0.4422 -0.1025 0.1845 102 ARG B NH1 3335 N NH2 . ARG B 126 ? 1.5403 1.6448 0.9391 0.4705 -0.0865 0.1501 102 ARG B NH2 3336 N N . SER B 127 ? 1.3575 1.4106 0.8709 0.2159 -0.1463 0.1582 103 SER B N 3337 C CA . SER B 127 ? 1.3371 1.4153 0.8996 0.1904 -0.1720 0.1617 103 SER B CA 3338 C C . SER B 127 ? 1.3108 1.4700 0.9500 0.2128 -0.1945 0.1809 103 SER B C 3339 O O . SER B 127 ? 1.3195 1.5110 0.9654 0.2498 -0.1911 0.1909 103 SER B O 3340 C CB . SER B 127 ? 1.4044 1.3957 0.8884 0.1762 -0.1919 0.1425 103 SER B CB 3341 O OG . SER B 127 ? 1.4740 1.4195 0.8903 0.2103 -0.2038 0.1410 103 SER B OG 3342 N N . LEU B 128 ? 1.2744 1.4674 0.9754 0.1904 -0.2181 0.1834 104 LEU B N 3343 C CA . LEU B 128 ? 1.2470 1.5180 1.0323 0.2072 -0.2420 0.1979 104 LEU B CA 3344 C C . LEU B 128 ? 1.2939 1.5257 1.0390 0.2215 -0.2829 0.1844 104 LEU B C 3345 O O . LEU B 128 ? 1.3329 1.4846 0.9996 0.2073 -0.2941 0.1663 104 LEU B O 3346 C CB . LEU B 128 ? 1.1827 1.5223 1.0760 0.1751 -0.2443 0.2092 104 LEU B CB 3347 C CG . LEU B 128 ? 1.1201 1.4925 1.0507 0.1575 -0.2066 0.2235 104 LEU B CG 3348 C CD1 . LEU B 128 ? 1.0671 1.5011 1.1055 0.1255 -0.2126 0.2362 104 LEU B CD1 3349 C CD2 . LEU B 128 ? 1.1076 1.5297 1.0513 0.1926 -0.1798 0.2425 104 LEU B CD2 3350 N N . ARG B 129 ? 1.2939 1.5834 1.0927 0.2509 -0.3048 0.1927 105 ARG B N 3351 C CA . ARG B 129 ? 1.3484 1.6082 1.1151 0.2709 -0.3480 0.1797 105 ARG B CA 3352 C C . ARG B 129 ? 1.3207 1.6753 1.2026 0.2839 -0.3746 0.1871 105 ARG B C 3353 O O . ARG B 129 ? 1.2855 1.7176 1.2399 0.3001 -0.3572 0.2043 105 ARG B O 3354 C CB . ARG B 129 ? 1.4125 1.6078 1.0776 0.3096 -0.3490 0.1747 105 ARG B CB 3355 C CG . ARG B 129 ? 1.3915 1.6311 1.0766 0.3389 -0.3211 0.1885 105 ARG B CG 3356 C CD . ARG B 129 ? 1.4567 1.6196 1.0355 0.3733 -0.3209 0.1808 105 ARG B CD 3357 N NE . ARG B 129 ? 1.5099 1.6663 1.0737 0.4096 -0.3614 0.1755 105 ARG B NE 3358 C CZ . ARG B 129 ? 1.5706 1.6643 1.0506 0.4449 -0.3702 0.1700 105 ARG B CZ 3359 N NH1 . ARG B 129 ? 1.5848 1.6177 0.9921 0.4475 -0.3404 0.1684 105 ARG B NH1 3360 N NH2 . ARG B 129 ? 1.6199 1.7100 1.0972 0.4731 -0.4064 0.1633 105 ARG B NH2 3361 N N . PRO B 130 ? 1.3415 1.6923 1.2433 0.2773 -0.4165 0.1727 106 PRO B N 3362 C CA . PRO B 130 ? 1.3208 1.7599 1.3400 0.2876 -0.4466 0.1743 106 PRO B CA 3363 C C . PRO B 130 ? 1.3618 1.8189 1.3741 0.3374 -0.4673 0.1725 106 PRO B C 3364 O O . PRO B 130 ? 1.2256 1.6039 1.1286 0.3627 -0.4844 0.1604 106 PRO B O 3365 C CB . PRO B 130 ? 1.3458 1.7535 1.3607 0.2691 -0.4885 0.1522 106 PRO B CB 3366 C CG . PRO B 130 ? 1.4083 1.7009 1.2741 0.2698 -0.4886 0.1383 106 PRO B CG 3367 C CD . PRO B 130 ? 1.3839 1.6481 1.2008 0.2588 -0.4369 0.1520 106 PRO B CD 3368 N N . GLN B 155 ? 1.0722 2.3356 1.3066 0.5283 0.2314 0.5239 131 GLN B N 3369 C CA . GLN B 155 ? 1.0433 2.2445 1.2421 0.5176 0.2077 0.4986 131 GLN B CA 3370 C C . GLN B 155 ? 1.0123 2.2155 1.2814 0.4698 0.2005 0.5191 131 GLN B C 3371 O O . GLN B 155 ? 1.0050 2.2498 1.3617 0.4454 0.1947 0.5371 131 GLN B O 3372 C CB . GLN B 155 ? 1.0378 2.2099 1.2137 0.5368 0.1743 0.4623 131 GLN B CB 3373 C CG . GLN B 155 ? 1.0703 2.2208 1.1653 0.5818 0.1766 0.4336 131 GLN B CG 3374 C CD . GLN B 155 ? 1.0734 2.1722 1.1332 0.5972 0.1408 0.3966 131 GLN B CD 3375 O OE1 . GLN B 155 ? 1.0539 2.1398 1.1509 0.5774 0.1117 0.3948 131 GLN B OE1 3376 N NE2 . GLN B 155 ? 1.1054 2.1674 1.0891 0.6316 0.1397 0.3665 131 GLN B NE2 3377 N N . THR B 156 ? 0.9994 2.1516 1.2296 0.4541 0.1984 0.5122 132 THR B N 3378 C CA . THR B 156 ? 0.9795 2.1031 1.2552 0.3992 0.1858 0.5227 132 THR B CA 3379 C C . THR B 156 ? 0.9807 2.0052 1.2036 0.3732 0.1467 0.4819 132 THR B C 3380 O O . THR B 156 ? 0.9979 1.9691 1.1419 0.3966 0.1337 0.4478 132 THR B O 3381 C CB . THR B 156 ? 0.9763 2.1037 1.2489 0.3868 0.2145 0.5488 132 THR B CB 3382 O OG1 . THR B 156 ? 0.9538 2.0532 1.2760 0.3335 0.1992 0.5572 132 THR B OG1 3383 C CG2 . THR B 156 ? 0.9909 2.0546 1.1573 0.4090 0.2172 0.5198 132 THR B CG2 3384 N N . PHE B 157 ? 0.9616 1.9621 1.2297 0.3250 0.1289 0.4857 133 PHE B N 3385 C CA . PHE B 157 ? 0.9613 1.8731 1.1854 0.2973 0.0934 0.4495 133 PHE B CA 3386 C C . PHE B 157 ? 0.9365 1.8020 1.1519 0.2593 0.0943 0.4480 133 PHE B C 3387 O O . PHE B 157 ? 0.9176 1.8218 1.2047 0.2340 0.1044 0.4781 133 PHE B O 3388 C CB . PHE B 157 ? 0.9647 1.8889 1.2520 0.2770 0.0618 0.4468 133 PHE B CB 3389 C CG . PHE B 157 ? 0.9861 1.8235 1.2106 0.2649 0.0254 0.4073 133 PHE B CG 3390 C CD1 . PHE B 157 ? 1.0193 1.8074 1.1548 0.2966 0.0196 0.3797 133 PHE B CD1 3391 C CD2 . PHE B 157 ? 0.9739 1.7791 1.2288 0.2231 -0.0026 0.3982 133 PHE B CD2 3392 C CE1 . PHE B 157 ? 1.0409 1.7465 1.1156 0.2854 -0.0104 0.3472 133 PHE B CE1 3393 C CE2 . PHE B 157 ? 0.9951 1.7210 1.1864 0.2139 -0.0334 0.3635 133 PHE B CE2 3394 C CZ . PHE B 157 ? 1.0294 1.7044 1.1292 0.2445 -0.0358 0.3398 133 PHE B CZ 3395 N N . LEU B 158 ? 0.9399 1.7221 1.0707 0.2551 0.0836 0.4123 134 LEU B N 3396 C CA . LEU B 158 ? 0.9205 1.6561 1.0352 0.2239 0.0847 0.4047 134 LEU B CA 3397 C C . LEU B 158 ? 0.9048 1.5717 1.0093 0.1836 0.0519 0.3752 134 LEU B C 3398 O O . LEU B 158 ? 0.9237 1.5398 0.9742 0.1894 0.0336 0.3455 134 LEU B O 3399 C CB . LEU B 158 ? 0.9371 1.6351 0.9676 0.2504 0.1022 0.3847 134 LEU B CB 3400 C CG . LEU B 158 ? 0.9445 1.6993 0.9720 0.2874 0.1364 0.4107 134 LEU B CG 3401 C CD1 . LEU B 158 ? 0.9633 1.7756 0.9919 0.3327 0.1486 0.4217 134 LEU B CD1 3402 C CD2 . LEU B 158 ? 0.9565 1.6587 0.9064 0.3017 0.1443 0.3829 134 LEU B CD2 3403 N N . ILE B 159 ? 0.8702 1.5347 1.0252 0.1439 0.0448 0.3840 135 ILE B N 3404 C CA . ILE B 159 ? 0.8515 1.4525 0.9952 0.1059 0.0152 0.3542 135 ILE B CA 3405 C C . ILE B 159 ? 0.8324 1.3861 0.9464 0.0844 0.0207 0.3385 135 ILE B C 3406 O O . ILE B 159 ? 0.8173 1.4029 0.9738 0.0768 0.0355 0.3636 135 ILE B O 3407 C CB . ILE B 159 ? 0.8328 1.4690 1.0706 0.0744 -0.0067 0.3702 135 ILE B CB 3408 C CG1 . ILE B 159 ? 0.8425 1.5459 1.1337 0.0971 -0.0079 0.3924 135 ILE B CG1 3409 C CG2 . ILE B 159 ? 0.8321 1.4033 1.0463 0.0436 -0.0402 0.3346 135 ILE B CG2 3410 C CD1 . ILE B 159 ? 0.8716 1.5437 1.0998 0.1227 -0.0236 0.3670 135 ILE B CD1 3411 N N . ASP B 160 ? 0.8642 1.3022 0.7645 0.2452 0.0776 -0.0631 136 ASP B N 3412 C CA . ASP B 160 ? 0.8534 1.2868 0.7641 0.2316 0.0593 -0.0526 136 ASP B CA 3413 C C . ASP B 160 ? 0.9101 1.3836 0.7720 0.2450 0.0466 -0.0508 136 ASP B C 3414 O O . ASP B 160 ? 0.9571 1.4338 0.7680 0.2597 0.0387 -0.0845 136 ASP B O 3415 C CB . ASP B 160 ? 0.8058 1.2416 0.7689 0.2165 0.0702 -0.0123 136 ASP B CB 3416 C CG . ASP B 160 ? 0.7565 1.1477 0.7629 0.1984 0.0741 -0.0213 136 ASP B CG 3417 O OD1 . ASP B 160 ? 0.7548 1.1135 0.7593 0.1908 0.0608 -0.0494 136 ASP B OD1 3418 O OD2 . ASP B 160 ? 0.7272 1.1155 0.7669 0.1894 0.0905 -0.0001 136 ASP B OD2 3419 N N . GLY B 161 ? 0.9175 1.4191 0.7928 0.2414 0.0435 -0.0118 137 GLY B N 3420 C CA . GLY B 161 ? 0.9819 1.5259 0.8081 0.2533 0.0277 -0.0025 137 GLY B CA 3421 C C . GLY B 161 ? 1.0154 1.5494 0.8242 0.2490 -0.0074 -0.0390 137 GLY B C 3422 O O . GLY B 161 ? 0.7883 1.2821 0.6334 0.2333 -0.0171 -0.0635 137 GLY B O 3423 N N . PRO B 162 ? 1.0835 1.6567 0.8343 0.2603 -0.0269 -0.0424 138 PRO B N 3424 C CA . PRO B 162 ? 1.1202 1.6923 0.8534 0.2529 -0.0656 -0.0780 138 PRO B CA 3425 C C . PRO B 162 ? 1.1398 1.6672 0.8461 0.2506 -0.0702 -0.1386 138 PRO B C 3426 O O . PRO B 162 ? 1.1460 1.6565 0.8301 0.2645 -0.0449 -0.1530 138 PRO B O 3427 C CB . PRO B 162 ? 0.9886 1.6182 0.6511 0.2688 -0.0813 -0.0650 138 PRO B CB 3428 C CG . PRO B 162 ? 1.0057 1.6555 0.6275 0.2870 -0.0441 -0.0467 138 PRO B CG 3429 C CD . PRO B 162 ? 1.1373 1.7619 0.8311 0.2785 -0.0133 -0.0139 138 PRO B CD 3430 N N . GLU B 163 ? 1.1549 1.6633 0.8685 0.2330 -0.1030 -0.1726 139 GLU B N 3431 C CA . GLU B 163 ? 1.1911 1.6483 0.8740 0.2289 -0.1128 -0.2308 139 GLU B CA 3432 C C . GLU B 163 ? 1.2730 1.7516 0.8658 0.2528 -0.1179 -0.2618 139 GLU B C 3433 O O . GLU B 163 ? 1.3114 1.8438 0.8631 0.2581 -0.1373 -0.2527 139 GLU B O 3434 C CB . GLU B 163 ? 1.1990 1.6359 0.9147 0.1980 -0.1481 -0.2564 139 GLU B CB 3435 C CG . GLU B 163 ? 1.1230 1.5493 0.9261 0.1749 -0.1405 -0.2277 139 GLU B CG 3436 C CD . GLU B 163 ? 1.0834 1.4518 0.9099 0.1732 -0.1091 -0.2273 139 GLU B CD 3437 O OE1 . GLU B 163 ? 1.1209 1.4391 0.9109 0.1786 -0.1068 -0.2627 139 GLU B OE1 3438 O OE2 . GLU B 163 ? 1.0196 1.3914 0.8992 0.1680 -0.0885 -0.1926 139 GLU B OE2 3439 N N . THR B 164 ? 1.3038 1.7422 0.8638 0.2699 -0.1002 -0.2982 140 THR B N 3440 C CA . THR B 164 ? 1.3957 1.8528 0.8683 0.2971 -0.0992 -0.3350 140 THR B CA 3441 C C . THR B 164 ? 1.4643 1.8477 0.9093 0.3005 -0.1110 -0.4030 140 THR B C 3442 O O . THR B 164 ? 1.4282 1.7452 0.9225 0.2849 -0.1126 -0.4124 140 THR B O 3443 C CB . THR B 164 ? 1.3768 1.8763 0.8296 0.3279 -0.0553 -0.3078 140 THR B CB 3444 O OG1 . THR B 164 ? 1.4669 1.9908 0.8310 0.3561 -0.0506 -0.3474 140 THR B OG1 3445 C CG2 . THR B 164 ? 1.3202 1.7755 0.8240 0.3345 -0.0271 -0.3070 140 THR B CG2 3446 N N . ALA B 165 ? 1.5761 1.9681 0.9381 0.3213 -0.1190 -0.4502 141 ALA B N 3447 C CA . ALA B 165 ? 1.6628 1.9714 1.0075 0.3218 -0.1292 -0.5094 141 ALA B CA 3448 C C . ALA B 165 ? 1.6791 1.9628 1.0268 0.3552 -0.0889 -0.5129 141 ALA B C 3449 O O . ALA B 165 ? 1.7225 1.9262 1.0775 0.3596 -0.0909 -0.5492 141 ALA B O 3450 C CB . ALA B 165 ? 1.7760 2.0883 1.0605 0.3129 -0.1573 -0.5452 141 ALA B CB 3451 N N . GLU B 166 ? 1.6475 2.0020 0.9943 0.3771 -0.0539 -0.4722 142 GLU B N 3452 C CA . GLU B 166 ? 1.6531 2.0040 1.0149 0.4072 -0.0165 -0.4701 142 GLU B CA 3453 C C . GLU B 166 ? 1.5775 1.8858 1.0047 0.4076 -0.0069 -0.4563 142 GLU B C 3454 O O . GLU B 166 ? 1.5997 1.8675 1.0456 0.4279 0.0068 -0.4717 142 GLU B O 3455 C CB . GLU B 166 ? 1.6364 2.0805 0.9879 0.4224 0.0172 -0.4258 142 GLU B CB 3456 C CG . GLU B 166 ? 1.5379 2.0385 0.9229 0.4081 0.0252 -0.3658 142 GLU B CG 3457 C CD . GLU B 166 ? 1.5451 2.1320 0.9086 0.4152 0.0517 -0.3204 142 GLU B CD 3458 O OE1 . GLU B 166 ? 1.5849 2.1956 0.9414 0.4350 0.0808 -0.3231 142 GLU B OE1 3459 O OE2 . GLU B 166 ? 1.5172 2.1481 0.8722 0.4007 0.0432 -0.2798 142 GLU B OE2 3460 N N . CYS B 167 ? 1.4935 1.8129 0.9542 0.3863 -0.0151 -0.4271 143 CYS B N 3461 C CA . CYS B 167 ? 1.4149 1.6973 0.9395 0.3799 -0.0062 -0.4063 143 CYS B CA 3462 C C . CYS B 167 ? 1.3769 1.6118 0.9410 0.3356 -0.0358 -0.3962 143 CYS B C 3463 O O . CYS B 167 ? 1.3055 1.5757 0.9104 0.3114 -0.0350 -0.3508 143 CYS B O 3464 C CB . CYS B 167 ? 1.3330 1.6846 0.8994 0.3830 0.0258 -0.3481 143 CYS B CB 3465 S SG . CYS B 167 ? 1.4964 1.8081 1.1448 0.3676 0.0342 -0.3154 143 CYS B SG 3466 N N . PRO B 168 ? 1.4326 1.5860 0.9872 0.3247 -0.0606 -0.4391 144 PRO B N 3467 C CA . PRO B 168 ? 1.4168 1.5289 1.0105 0.2793 -0.0868 -0.4324 144 PRO B CA 3468 C C . PRO B 168 ? 1.3464 1.4384 1.0049 0.2635 -0.0714 -0.3902 144 PRO B C 3469 O O . PRO B 168 ? 1.3269 1.4145 0.9952 0.2882 -0.0484 -0.3782 144 PRO B O 3470 C CB . PRO B 168 ? 1.5067 1.5283 1.0704 0.2757 -0.1110 -0.4899 144 PRO B CB 3471 C CG . PRO B 168 ? 1.5489 1.5428 1.0845 0.3231 -0.0900 -0.5137 144 PRO B CG 3472 C CD . PRO B 168 ? 1.5233 1.6148 1.0360 0.3549 -0.0627 -0.4950 144 PRO B CD 3473 N N . ASN B 169 ? 1.3194 1.4049 1.0215 0.2234 -0.0841 -0.3698 145 ASN B N 3474 C CA . ASN B 169 ? 1.2647 1.3332 1.0206 0.2061 -0.0688 -0.3329 145 ASN B CA 3475 C C . ASN B 169 ? 1.3067 1.2874 1.0621 0.2064 -0.0696 -0.3472 145 ASN B C 3476 O O . ASN B 169 ? 1.2552 1.2216 1.0390 0.2036 -0.0546 -0.3190 145 ASN B O 3477 C CB . ASN B 169 ? 1.2310 1.3204 1.0330 0.1659 -0.0789 -0.3114 145 ASN B CB 3478 C CG . ASN B 169 ? 1.2084 1.3809 1.0166 0.1694 -0.0805 -0.2903 145 ASN B CG 3479 O OD1 . ASN B 169 ? 1.1859 1.4035 0.9848 0.1941 -0.0617 -0.2678 145 ASN B OD1 3480 N ND2 . ASN B 169 ? 1.2213 1.4160 1.0482 0.1439 -0.1044 -0.2948 145 ASN B ND2 3481 N N . THR B 170 ? 1.4119 1.3306 1.1319 0.2100 -0.0893 -0.3912 146 THR B N 3482 C CA . THR B 170 ? 1.4833 1.3066 1.1980 0.2141 -0.0934 -0.4050 146 THR B CA 3483 C C . THR B 170 ? 1.5045 1.3306 1.2101 0.2626 -0.0730 -0.3996 146 THR B C 3484 O O . THR B 170 ? 1.5178 1.2855 1.2343 0.2694 -0.0711 -0.3888 146 THR B O 3485 C CB . THR B 170 ? 1.5815 1.3313 1.2591 0.2088 -0.1206 -0.4583 146 THR B CB 3486 O OG1 . THR B 170 ? 1.5792 1.3542 1.2659 0.1670 -0.1421 -0.4673 146 THR B OG1 3487 C CG2 . THR B 170 ? 1.6386 1.2756 1.3211 0.1986 -0.1290 -0.4625 146 THR B CG2 3488 N N . ASN B 171 ? 1.5172 1.4168 1.2044 0.2956 -0.0581 -0.4044 147 ASN B N 3489 C CA . ASN B 171 ? 1.5354 1.4606 1.2239 0.3411 -0.0360 -0.3984 147 ASN B CA 3490 C C . ASN B 171 ? 1.4553 1.4689 1.1794 0.3372 -0.0129 -0.3510 147 ASN B C 3491 O O . ASN B 171 ? 1.4466 1.5225 1.1696 0.3689 0.0080 -0.3456 147 ASN B O 3492 C CB . ASN B 171 ? 1.6156 1.5583 1.2553 0.3841 -0.0311 -0.4433 147 ASN B CB 3493 C CG . ASN B 171 ? 1.6462 1.5905 1.2944 0.4324 -0.0128 -0.4469 147 ASN B CG 3494 O OD1 . ASN B 171 ? 1.6106 1.6402 1.2740 0.4506 0.0120 -0.4242 147 ASN B OD1 3495 N ND2 . ASN B 171 ? 1.7138 1.5659 1.3631 0.4436 -0.0262 -0.4644 147 ASN B ND2 3496 N N . ARG B 172 ? 1.4078 1.4267 1.1656 0.2972 -0.0156 -0.3180 148 ARG B N 3497 C CA . ARG B 172 ? 1.3405 1.4275 1.1346 0.2895 0.0040 -0.2754 148 ARG B CA 3498 C C . ARG B 172 ? 1.3298 1.3871 1.1579 0.2758 0.0075 -0.2494 148 ARG B C 3499 O O . ARG B 172 ? 1.3617 1.3492 1.1879 0.2589 -0.0061 -0.2549 148 ARG B O 3500 C CB . ARG B 172 ? 1.2976 1.4258 1.1033 0.2600 0.0008 -0.2581 148 ARG B CB 3501 C CG . ARG B 172 ? 1.3302 1.5074 1.0992 0.2739 -0.0024 -0.2727 148 ARG B CG 3502 C CD . ARG B 172 ? 1.2889 1.5462 1.0693 0.2824 0.0192 -0.2370 148 ARG B CD 3503 N NE . ARG B 172 ? 1.3261 1.6303 1.0687 0.2879 0.0125 -0.2415 148 ARG B NE 3504 C CZ . ARG B 172 ? 1.3056 1.6757 1.0503 0.2907 0.0265 -0.2062 148 ARG B CZ 3505 N NH1 . ARG B 172 ? 1.2495 1.6432 1.0374 0.2859 0.0483 -0.1674 148 ARG B NH1 3506 N NH2 . ARG B 172 ? 1.3467 1.7567 1.0481 0.2963 0.0167 -0.2089 148 ARG B NH2 3507 N N . ALA B 173 ? 1.2946 1.4050 1.1513 0.2808 0.0252 -0.2206 149 ALA B N 3508 C CA . ALA B 173 ? 1.2510 1.3431 1.1351 0.2660 0.0270 -0.1968 149 ALA B CA 3509 C C . ALA B 173 ? 1.1531 1.2627 1.0631 0.2289 0.0328 -0.1729 149 ALA B C 3510 O O . ALA B 173 ? 1.1208 1.2794 1.0414 0.2239 0.0412 -0.1630 149 ALA B O 3511 C CB . ALA B 173 ? 1.2430 1.3811 1.1471 0.2916 0.0390 -0.1842 149 ALA B CB 3512 N N . TRP B 174 ? 1.0881 1.1568 1.0065 0.2052 0.0292 -0.1627 150 TRP B N 3513 C CA . TRP B 174 ? 1.0005 1.0785 0.9420 0.1721 0.0364 -0.1471 150 TRP B CA 3514 C C . TRP B 174 ? 0.9822 1.0228 0.9244 0.1524 0.0372 -0.1358 150 TRP B C 3515 O O . TRP B 174 ? 1.0254 1.0132 0.9443 0.1550 0.0260 -0.1406 150 TRP B O 3516 C CB . TRP B 174 ? 1.0023 1.0686 0.9410 0.1553 0.0277 -0.1599 150 TRP B CB 3517 C CG . TRP B 174 ? 0.9711 1.0429 0.9381 0.1238 0.0347 -0.1481 150 TRP B CG 3518 C CD1 . TRP B 174 ? 0.9353 1.0539 0.9333 0.1182 0.0446 -0.1348 150 TRP B CD1 3519 C CD2 . TRP B 174 ? 0.9895 1.0193 0.9582 0.0954 0.0344 -0.1480 150 TRP B CD2 3520 N NE1 . TRP B 174 ? 0.9266 1.0382 0.9494 0.0916 0.0512 -0.1306 150 TRP B NE1 3521 C CE2 . TRP B 174 ? 0.9567 1.0182 0.9609 0.0752 0.0469 -0.1381 150 TRP B CE2 3522 C CE3 . TRP B 174 ? 1.0389 1.0062 0.9827 0.0853 0.0260 -0.1528 150 TRP B CE3 3523 C CZ2 . TRP B 174 ? 0.9598 1.0025 0.9761 0.0451 0.0548 -0.1355 150 TRP B CZ2 3524 C CZ3 . TRP B 174 ? 1.0466 0.9903 0.9982 0.0514 0.0326 -0.1453 150 TRP B CZ3 3525 C CH2 . TRP B 174 ? 1.0044 0.9905 0.9923 0.0314 0.0486 -0.1380 150 TRP B CH2 3526 N N . ASN B 175 ? 0.9249 0.9897 0.8902 0.1336 0.0502 -0.1208 151 ASN B N 3527 C CA . ASN B 175 ? 0.9159 0.9548 0.8749 0.1144 0.0534 -0.1113 151 ASN B CA 3528 C C . ASN B 175 ? 0.9188 0.9469 0.8608 0.1325 0.0431 -0.1062 151 ASN B C 3529 O O . ASN B 175 ? 0.9565 0.9361 0.8709 0.1299 0.0325 -0.1032 151 ASN B O 3530 C CB . ASN B 175 ? 0.9504 0.9431 0.8953 0.0888 0.0523 -0.1141 151 ASN B CB 3531 C CG . ASN B 175 ? 0.9535 0.9324 0.8895 0.0646 0.0630 -0.1032 151 ASN B CG 3532 O OD1 . ASN B 175 ? 0.9266 0.9346 0.8749 0.0620 0.0730 -0.0990 151 ASN B OD1 3533 N ND2 . ASN B 175 ? 0.9924 0.9251 0.9043 0.0447 0.0614 -0.0991 151 ASN B ND2 3534 N N . SER B 176 ? 0.8854 0.9618 0.8471 0.1504 0.0456 -0.1022 152 SER B N 3535 C CA . SER B 176 ? 0.8995 0.9840 0.8581 0.1709 0.0343 -0.0972 152 SER B CA 3536 C C . SER B 176 ? 0.8636 0.9915 0.8467 0.1584 0.0391 -0.0865 152 SER B C 3537 O O . SER B 176 ? 0.8704 1.0213 0.8612 0.1717 0.0282 -0.0810 152 SER B O 3538 C CB . SER B 176 ? 0.9128 1.0243 0.8784 0.2078 0.0320 -0.1063 152 SER B CB 3539 O OG . SER B 176 ? 0.9591 1.0218 0.8977 0.2201 0.0240 -0.1223 152 SER B OG 3540 N N . LEU B 177 ? 0.8363 0.9752 0.8352 0.1332 0.0538 -0.0849 153 LEU B N 3541 C CA . LEU B 177 ? 0.8203 0.9910 0.8431 0.1173 0.0582 -0.0793 153 LEU B CA 3542 C C . LEU B 177 ? 0.8329 0.9729 0.8393 0.0880 0.0630 -0.0834 153 LEU B C 3543 O O . LEU B 177 ? 0.8260 0.9394 0.8240 0.0762 0.0742 -0.0882 153 LEU B O 3544 C CB . LEU B 177 ? 0.7918 1.0047 0.8531 0.1166 0.0733 -0.0734 153 LEU B CB 3545 C CG . LEU B 177 ? 0.7861 1.0500 0.8674 0.1413 0.0734 -0.0668 153 LEU B CG 3546 C CD1 . LEU B 177 ? 0.7644 1.0690 0.8820 0.1319 0.0897 -0.0532 153 LEU B CD1 3547 C CD2 . LEU B 177 ? 0.7980 1.0855 0.8863 0.1511 0.0587 -0.0655 153 LEU B CD2 3548 N N . GLU B 178 ? 0.8563 1.0061 0.8590 0.0765 0.0543 -0.0833 154 GLU B N 3549 C CA . GLU B 178 ? 0.8923 1.0186 0.8736 0.0492 0.0603 -0.0920 154 GLU B CA 3550 C C . GLU B 178 ? 0.9126 1.0673 0.9194 0.0331 0.0589 -0.0980 154 GLU B C 3551 O O . GLU B 178 ? 0.9069 1.1023 0.9436 0.0409 0.0479 -0.0911 154 GLU B O 3552 C CB . GLU B 178 ? 0.9324 1.0260 0.8599 0.0458 0.0460 -0.0885 154 GLU B CB 3553 C CG . GLU B 178 ? 0.9477 1.0615 0.8672 0.0600 0.0182 -0.0791 154 GLU B CG 3554 C CD . GLU B 178 ? 1.0020 1.0773 0.8622 0.0575 0.0021 -0.0692 154 GLU B CD 3555 O OE1 . GLU B 178 ? 1.0226 1.0562 0.8475 0.0417 0.0162 -0.0691 154 GLU B OE1 3556 O OE2 . GLU B 178 ? 1.0288 1.1190 0.8796 0.0712 -0.0247 -0.0587 154 GLU B OE2 3557 N N . VAL B 179 ? 0.9474 1.0815 0.9453 0.0098 0.0714 -0.1128 155 VAL B N 3558 C CA . VAL B 179 ? 0.9740 1.1216 0.9936 -0.0102 0.0699 -0.1246 155 VAL B CA 3559 C C . VAL B 179 ? 1.0418 1.1930 1.0227 -0.0235 0.0473 -0.1329 155 VAL B C 3560 O O . VAL B 179 ? 1.0827 1.2082 1.0084 -0.0261 0.0443 -0.1353 155 VAL B O 3561 C CB . VAL B 179 ? 0.9806 1.0985 1.0096 -0.0252 0.0946 -0.1422 155 VAL B CB 3562 C CG1 . VAL B 179 ? 1.0086 1.1237 1.0493 -0.0493 0.0913 -0.1616 155 VAL B CG1 3563 C CG2 . VAL B 179 ? 0.9441 1.0662 1.0179 -0.0112 0.1110 -0.1296 155 VAL B CG2 3564 N N . GLU B 180 ? 1.0591 1.2463 1.0691 -0.0333 0.0299 -0.1346 156 GLU B N 3565 C CA . GLU B 180 ? 1.1246 1.3219 1.1008 -0.0495 0.0038 -0.1453 156 GLU B CA 3566 C C . GLU B 180 ? 1.1886 1.3634 1.1586 -0.0815 0.0120 -0.1758 156 GLU B C 3567 O O . GLU B 180 ? 1.2410 1.3858 1.1516 -0.0940 0.0139 -0.1947 156 GLU B O 3568 C CB . GLU B 180 ? 1.1006 1.3593 1.1171 -0.0433 -0.0244 -0.1322 156 GLU B CB 3569 C CG . GLU B 180 ? 1.1408 1.4201 1.1222 -0.0549 -0.0602 -0.1385 156 GLU B CG 3570 C CD . GLU B 180 ? 1.1570 1.4244 1.0842 -0.0294 -0.0780 -0.1196 156 GLU B CD 3571 O OE1 . GLU B 180 ? 1.1923 1.4105 1.0516 -0.0355 -0.0705 -0.1237 156 GLU B OE1 3572 O OE2 . GLU B 180 ? 1.1416 1.4486 1.0957 -0.0026 -0.0984 -0.0995 156 GLU B OE2 3573 N N . ASP B 181 ? 1.2018 1.3876 1.2311 -0.0948 0.0187 -0.1808 157 ASP B N 3574 C CA . ASP B 181 ? 1.2779 1.4350 1.3088 -0.1255 0.0238 -0.2130 157 ASP B CA 3575 C C . ASP B 181 ? 1.2812 1.4095 1.3642 -0.1276 0.0519 -0.2137 157 ASP B C 3576 O O . ASP B 181 ? 1.2279 1.3720 1.3518 -0.1093 0.0632 -0.1856 157 ASP B O 3577 C CB . ASP B 181 ? 1.3245 1.5197 1.3740 -0.1518 -0.0086 -0.2229 157 ASP B CB 3578 C CG . ASP B 181 ? 1.3847 1.5977 1.3703 -0.1546 -0.0397 -0.2301 157 ASP B CG 3579 O OD1 . ASP B 181 ? 1.4303 1.6048 1.3446 -0.1537 -0.0311 -0.2452 157 ASP B OD1 3580 O OD2 . ASP B 181 ? 1.3919 1.6618 1.3997 -0.1570 -0.0725 -0.2185 157 ASP B OD2 3581 N N . TYR B 182 ? 1.3556 1.4396 1.4337 -0.1487 0.0618 -0.2466 158 TYR B N 3582 C CA . TYR B 182 ? 1.3788 1.4226 1.5030 -0.1481 0.0875 -0.2487 158 TYR B CA 3583 C C . TYR B 182 ? 1.3866 1.4262 1.5645 -0.1778 0.0773 -0.2530 158 TYR B C 3584 O O . TYR B 182 ? 1.4368 1.4781 1.6014 -0.2073 0.0559 -0.2802 158 TYR B O 3585 C CB . TYR B 182 ? 1.4635 1.4522 1.5518 -0.1464 0.1107 -0.2851 158 TYR B CB 3586 C CG . TYR B 182 ? 1.4723 1.4635 1.5215 -0.1209 0.1283 -0.2780 158 TYR B CG 3587 C CD1 . TYR B 182 ? 1.4677 1.4374 1.5431 -0.0999 0.1569 -0.2736 158 TYR B CD1 3588 C CD2 . TYR B 182 ? 1.4878 1.5034 1.4775 -0.1191 0.1148 -0.2735 158 TYR B CD2 3589 C CE1 . TYR B 182 ? 1.4619 1.4401 1.5099 -0.0820 0.1724 -0.2674 158 TYR B CE1 3590 C CE2 . TYR B 182 ? 1.4876 1.5017 1.4450 -0.1018 0.1315 -0.2646 158 TYR B CE2 3591 C CZ . TYR B 182 ? 1.4755 1.4737 1.4645 -0.0854 0.1607 -0.2629 158 TYR B CZ 3592 O OH . TYR B 182 ? 1.4778 1.4807 1.4423 -0.0734 0.1767 -0.2544 158 TYR B OH 3593 N N . GLY B 183 ? 1.3434 1.3779 1.5807 -0.1727 0.0913 -0.2246 159 GLY B N 3594 C CA . GLY B 183 ? 1.3645 1.3793 1.6563 -0.2039 0.0878 -0.2254 159 GLY B CA 3595 C C . GLY B 183 ? 1.4170 1.3477 1.7072 -0.2094 0.1052 -0.2596 159 GLY B C 3596 O O . GLY B 183 ? 1.4232 1.3255 1.6742 -0.1866 0.1217 -0.2801 159 GLY B O 3597 N N . PHE B 184 ? 1.4575 1.3480 1.7938 -0.2394 0.1028 -0.2661 160 PHE B N 3598 C CA . PHE B 184 ? 1.5254 1.3263 1.8634 -0.2441 0.1175 -0.3043 160 PHE B CA 3599 C C . PHE B 184 ? 1.5448 1.2969 1.9517 -0.2478 0.1304 -0.2734 160 PHE B C 3600 O O . PHE B 184 ? 1.4907 1.2826 1.9340 -0.2399 0.1335 -0.2189 160 PHE B O 3601 C CB . PHE B 184 ? 1.6039 1.3790 1.9146 -0.2836 0.0968 -0.3603 160 PHE B CB 3602 C CG . PHE B 184 ? 1.5975 1.4131 1.8304 -0.2802 0.0831 -0.3900 160 PHE B CG 3603 C CD1 . PHE B 184 ? 1.6206 1.4784 1.8343 -0.3145 0.0480 -0.4072 160 PHE B CD1 3604 C CD2 . PHE B 184 ? 1.5753 1.3889 1.7558 -0.2446 0.1041 -0.3982 160 PHE B CD2 3605 C CE1 . PHE B 184 ? 1.6256 1.5181 1.7625 -0.3101 0.0329 -0.4286 160 PHE B CE1 3606 C CE2 . PHE B 184 ? 1.5804 1.4268 1.6852 -0.2440 0.0928 -0.4191 160 PHE B CE2 3607 C CZ . PHE B 184 ? 1.6081 1.4911 1.6874 -0.2753 0.0565 -0.4330 160 PHE B CZ 3608 N N . GLY B 185 ? 1.6308 1.2935 2.0520 -0.2586 0.1384 -0.3081 161 GLY B N 3609 C CA . GLY B 185 ? 1.6741 1.2740 2.1591 -0.2622 0.1493 -0.2781 161 GLY B CA 3610 C C . GLY B 185 ? 1.7214 1.2412 2.2105 -0.2247 0.1738 -0.2967 161 GLY B C 3611 O O . GLY B 185 ? 1.7188 1.2394 2.1632 -0.1975 0.1856 -0.3348 161 GLY B O 3612 N N . THR B 188 ? 1.4380 1.0322 2.0200 -0.1483 0.1977 -0.0995 164 THR B N 3613 C CA . THR B 188 ? 1.3434 1.0280 1.8879 -0.1223 0.1969 -0.0857 164 THR B CA 3614 C C . THR B 188 ? 1.3167 1.0473 1.8131 -0.1388 0.1861 -0.1304 164 THR B C 3615 O O . THR B 188 ? 1.3579 1.0776 1.8538 -0.1776 0.1737 -0.1573 164 THR B O 3616 C CB . THR B 188 ? 1.2921 1.0412 1.8499 -0.1243 0.1936 -0.0211 164 THR B CB 3617 O OG1 . THR B 188 ? 1.3072 1.0757 1.8838 -0.1708 0.1840 -0.0130 164 THR B OG1 3618 C CG2 . THR B 188 ? 1.3237 1.0341 1.9169 -0.1032 0.2026 0.0303 164 THR B CG2 3619 N N . THR B 189 ? 1.2585 1.0399 1.7151 -0.1107 0.1887 -0.1364 165 THR B N 3620 C CA . THR B 189 ? 1.2376 1.0610 1.6433 -0.1220 0.1776 -0.1702 165 THR B CA 3621 C C . THR B 189 ? 1.1520 1.0566 1.5370 -0.1081 0.1699 -0.1386 165 THR B C 3622 O O . THR B 189 ? 1.1104 1.0348 1.4864 -0.0764 0.1782 -0.1212 165 THR B O 3623 C CB . THR B 189 ? 1.2729 1.0674 1.6398 -0.1061 0.1897 -0.2192 165 THR B CB 3624 O OG1 . THR B 189 ? 1.3606 1.0795 1.7394 -0.1213 0.1956 -0.2598 165 THR B OG1 3625 C CG2 . THR B 189 ? 1.2574 1.0979 1.5641 -0.1158 0.1777 -0.2429 165 THR B CG2 3626 N N . ASN B 190 ? 1.1290 1.0808 1.5099 -0.1315 0.1526 -0.1333 166 ASN B N 3627 C CA . ASN B 190 ? 1.0568 1.0822 1.4225 -0.1166 0.1452 -0.1062 166 ASN B CA 3628 C C . ASN B 190 ? 1.0367 1.0848 1.3474 -0.1109 0.1337 -0.1347 166 ASN B C 3629 O O . ASN B 190 ? 1.0737 1.0890 1.3562 -0.1242 0.1306 -0.1736 166 ASN B O 3630 C CB . ASN B 190 ? 1.0432 1.1167 1.4464 -0.1403 0.1355 -0.0787 166 ASN B CB 3631 C CG . ASN B 190 ? 1.0665 1.1117 1.5218 -0.1533 0.1477 -0.0458 166 ASN B CG 3632 O OD1 . ASN B 190 ? 1.0415 1.1102 1.5087 -0.1345 0.1586 -0.0042 166 ASN B OD1 3633 N ND2 . ASN B 190 ? 1.1249 1.1155 1.6077 -0.1866 0.1450 -0.0641 166 ASN B ND2 3634 N N . ILE B 191 ? 0.9896 1.0895 1.2811 -0.0903 0.1280 -0.1155 167 ILE B N 3635 C CA . ILE B 191 ? 0.9858 1.1035 1.2256 -0.0844 0.1148 -0.1340 167 ILE B CA 3636 C C . ILE B 191 ? 0.9556 1.1355 1.1941 -0.0725 0.0997 -0.1121 167 ILE B C 3637 O O . ILE B 191 ? 0.9186 1.1273 1.1772 -0.0539 0.1070 -0.0842 167 ILE B O 3638 C CB . ILE B 191 ? 0.9761 1.0682 1.1782 -0.0625 0.1279 -0.1441 167 ILE B CB 3639 C CG1 . ILE B 191 ? 0.9449 1.0379 1.1737 -0.0390 0.1431 -0.1184 167 ILE B CG1 3640 C CG2 . ILE B 191 ? 1.0263 1.0687 1.2091 -0.0748 0.1388 -0.1805 167 ILE B CG2 3641 C CD1 . ILE B 191 ? 0.9442 1.0128 1.1550 -0.0235 0.1577 -0.1310 167 ILE B CD1 3642 N N . TRP B 192 ? 0.9817 1.1827 1.1943 -0.0809 0.0782 -0.1261 168 TRP B N 3643 C CA . TRP B 192 ? 0.9679 1.2264 1.1810 -0.0646 0.0616 -0.1092 168 TRP B CA 3644 C C . TRP B 192 ? 0.9600 1.2122 1.1377 -0.0312 0.0665 -0.1001 168 TRP B C 3645 O O . TRP B 192 ? 0.9677 1.1759 1.1092 -0.0272 0.0758 -0.1115 168 TRP B O 3646 C CB . TRP B 192 ? 0.9953 1.2734 1.1863 -0.0791 0.0329 -0.1255 168 TRP B CB 3647 C CG . TRP B 192 ? 1.0124 1.3230 1.2503 -0.1112 0.0192 -0.1302 168 TRP B CG 3648 C CD1 . TRP B 192 ? 1.0264 1.3189 1.3086 -0.1380 0.0320 -0.1318 168 TRP B CD1 3649 C CD2 . TRP B 192 ? 1.0239 1.3922 1.2744 -0.1217 -0.0122 -0.1324 168 TRP B CD2 3650 N NE1 . TRP B 192 ? 1.0501 1.3839 1.3724 -0.1697 0.0113 -0.1366 168 TRP B NE1 3651 C CE2 . TRP B 192 ? 1.0467 1.4336 1.3524 -0.1598 -0.0169 -0.1377 168 TRP B CE2 3652 C CE3 . TRP B 192 ? 1.0243 1.4296 1.2479 -0.1022 -0.0389 -0.1285 168 TRP B CE3 3653 C CZ2 . TRP B 192 ? 1.0669 1.5177 1.4052 -0.1813 -0.0480 -0.1417 168 TRP B CZ2 3654 C CZ3 . TRP B 192 ? 1.0445 1.5130 1.2990 -0.1180 -0.0706 -0.1305 168 TRP B CZ3 3655 C CH2 . TRP B 192 ? 1.0639 1.5595 1.3770 -0.1584 -0.0754 -0.1382 168 TRP B CH2 3656 N N . LEU B 193 ? 0.9517 1.2493 1.1428 -0.0079 0.0613 -0.0813 169 LEU B N 3657 C CA . LEU B 193 ? 0.9556 1.2433 1.1115 0.0226 0.0605 -0.0770 169 LEU B CA 3658 C C . LEU B 193 ? 0.9759 1.3074 1.1334 0.0446 0.0411 -0.0695 169 LEU B C 3659 O O . LEU B 193 ? 0.9684 1.3583 1.1703 0.0482 0.0398 -0.0587 169 LEU B O 3660 C CB . LEU B 193 ? 0.9184 1.2025 1.0849 0.0394 0.0803 -0.0648 169 LEU B CB 3661 C CG . LEU B 193 ? 0.9093 1.1447 1.0642 0.0317 0.0958 -0.0720 169 LEU B CG 3662 C CD1 . LEU B 193 ? 0.9045 1.1341 1.0986 0.0129 0.1090 -0.0672 169 LEU B CD1 3663 C CD2 . LEU B 193 ? 0.8908 1.1213 1.0324 0.0551 0.1021 -0.0652 169 LEU B CD2 3664 N N . LYS B 194 ? 1.0145 1.3180 1.1263 0.0596 0.0271 -0.0736 170 LYS B N 3665 C CA . LYS B 194 ? 1.0472 1.3803 1.1585 0.0886 0.0074 -0.0660 170 LYS B CA 3666 C C . LYS B 194 ? 1.0819 1.3709 1.1552 0.1160 0.0093 -0.0651 170 LYS B C 3667 O O . LYS B 194 ? 1.0827 1.3242 1.1301 0.1068 0.0231 -0.0702 170 LYS B O 3668 C CB . LYS B 194 ? 1.0890 1.4270 1.1806 0.0788 -0.0214 -0.0684 170 LYS B CB 3669 C CG . LYS B 194 ? 1.1345 1.4063 1.1585 0.0691 -0.0265 -0.0738 170 LYS B CG 3670 C CD . LYS B 194 ? 1.1825 1.4625 1.1765 0.0676 -0.0595 -0.0699 170 LYS B CD 3671 C CE . LYS B 194 ? 1.2233 1.4388 1.1421 0.0562 -0.0609 -0.0702 170 LYS B CE 3672 N NZ . LYS B 194 ? 1.2727 1.4975 1.1526 0.0518 -0.0948 -0.0639 170 LYS B NZ 3673 N N . LEU B 195 ? 1.1149 1.4200 1.1896 0.1497 -0.0053 -0.0599 171 LEU B N 3674 C CA . LEU B 195 ? 1.1515 1.4077 1.1925 0.1762 -0.0061 -0.0618 171 LEU B CA 3675 C C . LEU B 195 ? 1.1987 1.3881 1.1849 0.1674 -0.0213 -0.0585 171 LEU B C 3676 O O . LEU B 195 ? 1.2163 1.4097 1.1879 0.1564 -0.0396 -0.0520 171 LEU B O 3677 C CB . LEU B 195 ? 1.1661 1.4575 1.2298 0.2202 -0.0141 -0.0607 171 LEU B CB 3678 C CG . LEU B 195 ? 1.1288 1.4812 1.2339 0.2356 0.0074 -0.0640 171 LEU B CG 3679 C CD1 . LEU B 195 ? 1.0973 1.5332 1.2587 0.2228 0.0096 -0.0547 171 LEU B CD1 3680 C CD2 . LEU B 195 ? 1.1539 1.5077 1.2563 0.2837 0.0063 -0.0729 171 LEU B CD2 3681 N N . LYS B 196 ? 1.2295 1.3599 1.1842 0.1698 -0.0142 -0.0617 172 LYS B N 3682 C CA . LYS B 196 ? 1.2948 1.3591 1.1972 0.1589 -0.0246 -0.0538 172 LYS B CA 3683 C C . LYS B 196 ? 1.3455 1.3814 1.2319 0.1936 -0.0490 -0.0432 172 LYS B C 3684 O O . LYS B 196 ? 1.3492 1.3961 1.2590 0.2282 -0.0507 -0.0505 172 LYS B O 3685 C CB . LYS B 196 ? 1.3147 1.3312 1.1989 0.1408 -0.0062 -0.0607 172 LYS B CB 3686 C CG . LYS B 196 ? 1.2891 1.3253 1.1876 0.1093 0.0167 -0.0689 172 LYS B CG 3687 C CD . LYS B 196 ? 1.2995 1.3023 1.1919 0.0953 0.0324 -0.0752 172 LYS B CD 3688 C CE . LYS B 196 ? 1.3627 1.3051 1.2103 0.0817 0.0274 -0.0658 172 LYS B CE 3689 N NZ . LYS B 196 ? 1.3632 1.2842 1.2154 0.0619 0.0431 -0.0722 172 LYS B NZ 3690 N N . GLU B 197 ? 1.3876 1.3858 1.2315 0.1863 -0.0676 -0.0259 173 GLU B N 3691 C CA . GLU B 197 ? 1.4413 1.4008 1.2670 0.2205 -0.0941 -0.0101 173 GLU B CA 3692 C C . GLU B 197 ? 1.4726 1.3399 1.2577 0.2146 -0.0906 -0.0048 173 GLU B C 3693 O O . GLU B 197 ? 1.5444 1.3576 1.3127 0.2427 -0.1102 0.0075 173 GLU B O 3694 C CB . GLU B 197 ? 1.4911 1.4616 1.2902 0.2175 -0.1216 0.0120 173 GLU B CB 3695 C CG . GLU B 197 ? 1.4531 1.5160 1.2953 0.2160 -0.1294 0.0054 173 GLU B CG 3696 C CD . GLU B 197 ? 1.5092 1.5863 1.3202 0.2101 -0.1618 0.0246 173 GLU B CD 3697 O OE1 . GLU B 197 ? 1.4863 1.6215 1.3113 0.1855 -0.1651 0.0155 173 GLU B OE1 3698 O OE2 . GLU B 197 ? 1.5848 1.6122 1.3555 0.2292 -0.1859 0.0492 173 GLU B OE2 3699 N N . LYS B 198 ? 1.4235 1.2735 1.1983 0.1778 -0.0660 -0.0139 174 LYS B N 3700 C CA . LYS B 198 ? 1.4489 1.2207 1.1936 0.1621 -0.0603 -0.0100 174 LYS B CA 3701 C C . LYS B 198 ? 1.3749 1.1583 1.1490 0.1511 -0.0382 -0.0355 174 LYS B C 3702 O O . LYS B 198 ? 1.3068 1.1522 1.1118 0.1428 -0.0220 -0.0489 174 LYS B O 3703 C CB . LYS B 198 ? 1.4976 1.2390 1.1941 0.1211 -0.0537 0.0109 174 LYS B CB 3704 C CG . LYS B 198 ? 1.5703 1.2309 1.2362 0.0992 -0.0486 0.0228 174 LYS B CG 3705 C CD . LYS B 198 ? 1.6508 1.2399 1.3027 0.1319 -0.0753 0.0362 174 LYS B CD 3706 C CE . LYS B 198 ? 1.7147 1.2174 1.3442 0.1054 -0.0703 0.0451 174 LYS B CE 3707 N NZ . LYS B 198 ? 1.7987 1.2175 1.4163 0.1388 -0.0969 0.0551 174 LYS B NZ 3708 N N . GLN B 199 ? 1.3903 1.1118 1.1545 0.1508 -0.0402 -0.0414 175 GLN B N 3709 C CA . GLN B 199 ? 1.3330 1.0651 1.1210 0.1390 -0.0251 -0.0655 175 GLN B CA 3710 C C . GLN B 199 ? 1.3281 1.0271 1.1032 0.0925 -0.0118 -0.0593 175 GLN B C 3711 O O . GLN B 199 ? 1.4030 1.0371 1.1450 0.0759 -0.0181 -0.0398 175 GLN B O 3712 C CB . GLN B 199 ? 1.3686 1.0639 1.1599 0.1715 -0.0381 -0.0858 175 GLN B CB 3713 C CG . GLN B 199 ? 1.3445 1.0513 1.1529 0.1597 -0.0286 -0.1127 175 GLN B CG 3714 C CD . GLN B 199 ? 1.4051 1.0594 1.2036 0.1868 -0.0433 -0.1376 175 GLN B CD 3715 O OE1 . GLN B 199 ? 1.4691 1.0752 1.2527 0.2185 -0.0588 -0.1349 175 GLN B OE1 3716 N NE2 . GLN B 199 ? 1.3949 1.0575 1.2013 0.1761 -0.0404 -0.1636 175 GLN B NE2 3717 N N . ASP B 200 ? 1.2447 0.9915 1.0491 0.0722 0.0072 -0.0732 176 ASP B N 3718 C CA . ASP B 200 ? 1.2305 0.9643 1.0375 0.0299 0.0225 -0.0704 176 ASP B CA 3719 C C . ASP B 200 ? 1.1510 0.9431 1.0020 0.0229 0.0356 -0.0902 176 ASP B C 3720 O O . ASP B 200 ? 1.1043 0.9435 0.9764 0.0479 0.0349 -0.1015 176 ASP B O 3721 C CB . ASP B 200 ? 1.2360 0.9754 1.0198 0.0033 0.0380 -0.0493 176 ASP B CB 3722 C CG . ASP B 200 ? 1.1759 0.9791 0.9728 0.0129 0.0476 -0.0538 176 ASP B CG 3723 O OD1 . ASP B 200 ? 1.1385 0.9733 0.9562 0.0431 0.0379 -0.0640 176 ASP B OD1 3724 O OD2 . ASP B 200 ? 1.1742 0.9952 0.9601 -0.0107 0.0659 -0.0485 176 ASP B OD2 3725 N N . VAL B 201 ? 1.1407 0.9327 1.0076 -0.0115 0.0475 -0.0913 177 VAL B N 3726 C CA . VAL B 201 ? 1.0742 0.9252 0.9870 -0.0178 0.0574 -0.1062 177 VAL B CA 3727 C C . VAL B 201 ? 1.0254 0.9212 0.9582 -0.0366 0.0842 -0.0990 177 VAL B C 3728 O O . VAL B 201 ? 0.9895 0.9295 0.9648 -0.0480 0.0958 -0.1065 177 VAL B O 3729 C CB . VAL B 201 ? 1.1099 0.9439 1.0406 -0.0404 0.0487 -0.1179 177 VAL B CB 3730 C CG1 . VAL B 201 ? 1.1509 0.9425 1.0619 -0.0172 0.0223 -0.1352 177 VAL B CG1 3731 C CG2 . VAL B 201 ? 1.1643 0.9578 1.0845 -0.0813 0.0586 -0.1020 177 VAL B CG2 3732 N N . PHE B 202 ? 1.0270 0.9121 0.9285 -0.0378 0.0927 -0.0860 178 PHE B N 3733 C CA . PHE B 202 ? 0.9960 0.9187 0.9078 -0.0516 0.1189 -0.0856 178 PHE B CA 3734 C C . PHE B 202 ? 0.9488 0.9154 0.8866 -0.0274 0.1205 -0.0956 178 PHE B C 3735 O O . PHE B 202 ? 0.9412 0.9052 0.8680 -0.0036 0.1039 -0.0946 178 PHE B O 3736 C CB . PHE B 202 ? 1.0247 0.9175 0.8826 -0.0654 0.1254 -0.0699 178 PHE B CB 3737 C CG . PHE B 202 ? 1.0762 0.9217 0.9039 -0.0941 0.1278 -0.0522 178 PHE B CG 3738 C CD1 . PHE B 202 ? 1.0757 0.9386 0.9305 -0.1261 0.1508 -0.0527 178 PHE B CD1 3739 C CD2 . PHE B 202 ? 1.1302 0.9154 0.9061 -0.0895 0.1074 -0.0320 178 PHE B CD2 3740 C CE1 . PHE B 202 ? 1.1394 0.9592 0.9694 -0.1584 0.1551 -0.0325 178 PHE B CE1 3741 C CE2 . PHE B 202 ? 1.1998 0.9326 0.9464 -0.1184 0.1096 -0.0102 178 PHE B CE2 3742 C CZ . PHE B 202 ? 1.2054 0.9550 0.9784 -0.1557 0.1346 -0.0100 178 PHE B CZ 3743 N N . CYS B 203 ? 0.9221 0.9293 0.8985 -0.0333 0.1413 -0.1041 179 CYS B N 3744 C CA . CYS B 203 ? 0.8856 0.9236 0.8862 -0.0152 0.1453 -0.1105 179 CYS B CA 3745 C C . CYS B 203 ? 0.9098 0.9341 0.8727 -0.0188 0.1488 -0.1103 179 CYS B C 3746 O O . CYS B 203 ? 0.9514 0.9547 0.8754 -0.0376 0.1572 -0.1068 179 CYS B O 3747 C CB . CYS B 203 ? 0.8616 0.9368 0.9133 -0.0185 0.1667 -0.1191 179 CYS B CB 3748 S SG . CYS B 203 ? 0.9416 1.0419 1.0378 -0.0275 0.1655 -0.1199 179 CYS B SG 3749 N N . ASP B 204 ? 0.8926 0.9313 0.8657 -0.0034 0.1413 -0.1127 180 ASP B N 3750 C CA . ASP B 204 ? 0.9160 0.9487 0.8591 -0.0083 0.1389 -0.1158 180 ASP B CA 3751 C C . ASP B 204 ? 0.9426 0.9723 0.8711 -0.0285 0.1636 -0.1295 180 ASP B C 3752 O O . ASP B 204 ? 0.9246 0.9705 0.8914 -0.0286 0.1837 -0.1422 180 ASP B O 3753 C CB . ASP B 204 ? 0.8897 0.9462 0.8643 0.0052 0.1315 -0.1181 180 ASP B CB 3754 C CG . ASP B 204 ? 0.9142 0.9702 0.8622 -0.0001 0.1189 -0.1206 180 ASP B CG 3755 O OD1 . ASP B 204 ? 0.9614 0.9989 0.8617 -0.0139 0.1177 -0.1229 180 ASP B OD1 3756 O OD2 . ASP B 204 ? 0.8913 0.9696 0.8662 0.0076 0.1096 -0.1189 180 ASP B OD2 3757 N N . SER B 205 ? 0.9722 0.6366 0.9852 -0.2116 -0.1132 -0.1046 181 SER B N 3758 C CA . SER B 205 ? 0.9570 0.6254 0.9718 -0.2082 -0.1142 -0.0969 181 SER B CA 3759 C C . SER B 205 ? 0.9576 0.6246 0.9814 -0.2122 -0.1024 -0.0992 181 SER B C 3760 O O . SER B 205 ? 0.9598 0.6240 0.9811 -0.2106 -0.1017 -0.0902 181 SER B O 3761 C CB . SER B 205 ? 0.9436 0.6237 0.9641 -0.2034 -0.1196 -0.1018 181 SER B CB 3762 O OG . SER B 205 ? 0.9415 0.6294 0.9746 -0.2065 -0.1124 -0.1165 181 SER B OG 3763 N N . LYS B 206 ? 0.9618 0.6300 0.9977 -0.2173 -0.0928 -0.1115 182 LYS B N 3764 C CA . LYS B 206 ? 0.9634 0.6319 1.0128 -0.2209 -0.0817 -0.1159 182 LYS B CA 3765 C C . LYS B 206 ? 0.9730 0.6271 1.0159 -0.2237 -0.0769 -0.1058 182 LYS B C 3766 O O . LYS B 206 ? 0.9802 0.6328 1.0352 -0.2263 -0.0684 -0.1078 182 LYS B O 3767 C CB . LYS B 206 ? 0.9750 0.6512 1.0443 -0.2256 -0.0732 -0.1339 182 LYS B CB 3768 C CG . LYS B 206 ? 0.9793 0.6673 1.0476 -0.2249 -0.0770 -0.1432 182 LYS B CG 3769 C CD . LYS B 206 ? 0.9911 0.6865 1.0654 -0.2299 -0.0675 -0.1555 182 LYS B CD 3770 C CE . LYS B 206 ? 0.9890 0.6854 1.0680 -0.2324 -0.0584 -0.1558 182 LYS B CE 3771 N NZ . LYS B 206 ? 1.0077 0.6961 1.0614 -0.2451 -0.0543 -0.1598 182 LYS B NZ 3772 N N . LEU B 207 ? 0.9730 0.6154 0.9953 -0.2233 -0.0831 -0.0944 183 LEU B N 3773 C CA . LEU B 207 ? 0.9792 0.6048 0.9876 -0.2268 -0.0792 -0.0838 183 LEU B CA 3774 C C . LEU B 207 ? 0.9544 0.5759 0.9491 -0.2233 -0.0858 -0.0685 183 LEU B C 3775 O O . LEU B 207 ? 0.9567 0.5663 0.9416 -0.2253 -0.0821 -0.0589 183 LEU B O 3776 C CB . LEU B 207 ? 1.0124 0.6221 1.0037 -0.2308 -0.0802 -0.0839 183 LEU B CB 3777 C CG . LEU B 207 ? 1.0284 0.6399 1.0330 -0.2342 -0.0745 -0.0987 183 LEU B CG 3778 C CD1 . LEU B 207 ? 1.0618 0.6508 1.0410 -0.2388 -0.0739 -0.0970 183 LEU B CD1 3779 C CD2 . LEU B 207 ? 1.0263 0.6421 1.0539 -0.2369 -0.0643 -0.1051 183 LEU B CD2 3780 N N . MET B 208 ? 0.9290 0.5597 0.9238 -0.2181 -0.0955 -0.0662 184 MET B N 3781 C CA . MET B 208 ? 0.9128 0.5406 0.8991 -0.2144 -0.1029 -0.0522 184 MET B CA 3782 C C . MET B 208 ? 0.8929 0.5260 0.8886 -0.2123 -0.0973 -0.0497 184 MET B C 3783 O O . MET B 208 ? 0.8909 0.5327 0.8985 -0.2118 -0.0925 -0.0594 184 MET B O 3784 C CB . MET B 208 ? 0.8999 0.5334 0.8829 -0.2098 -0.1160 -0.0501 184 MET B CB 3785 C CG . MET B 208 ? 0.8999 0.5351 0.8809 -0.2106 -0.1198 -0.0597 184 MET B CG 3786 S SD . MET B 208 ? 1.5034 1.1191 1.4649 -0.2158 -0.1212 -0.0570 184 MET B SD 3787 C CE . MET B 208 ? 1.3019 0.9106 1.2497 -0.2120 -0.1372 -0.0413 184 MET B CE 3788 N N . SER B 209 ? 0.8800 0.5066 0.8700 -0.2109 -0.0984 -0.0370 185 SER B N 3789 C CA . SER B 209 ? 0.8642 0.4934 0.8609 -0.2084 -0.0937 -0.0334 185 SER B CA 3790 C C . SER B 209 ? 0.8634 0.4890 0.8556 -0.2049 -0.1002 -0.0199 185 SER B C 3791 O O . SER B 209 ? 0.7230 0.3441 0.7081 -0.2050 -0.1085 -0.0131 185 SER B O 3792 C CB . SER B 209 ? 0.8649 0.4888 0.8654 -0.2116 -0.0813 -0.0343 185 SER B CB 3793 O OG . SER B 209 ? 0.8807 0.4931 0.8714 -0.2148 -0.0795 -0.0271 185 SER B OG 3794 N N . ALA B 210 ? 0.8613 0.4879 0.8585 -0.2020 -0.0968 -0.0163 186 ALA B N 3795 C CA . ALA B 210 ? 0.8653 0.4892 0.8626 -0.1989 -0.1009 -0.0043 186 ALA B CA 3796 C C . ALA B 210 ? 0.7068 0.3279 0.7086 -0.1969 -0.0919 -0.0014 186 ALA B C 3797 O O . ALA B 210 ? 0.7040 0.3268 0.7076 -0.1966 -0.0874 -0.0095 186 ALA B O 3798 C CB . ALA B 210 ? 0.7046 0.3338 0.7023 -0.1957 -0.1124 -0.0038 186 ALA B CB 3799 N N . ALA B 211 ? 0.8106 0.4266 0.8144 -0.1954 -0.0897 0.0099 187 ALA B N 3800 C CA . ALA B 211 ? 0.8247 0.4361 0.8321 -0.1930 -0.0802 0.0134 187 ALA B CA 3801 C C . ALA B 211 ? 0.8397 0.4470 0.8521 -0.1905 -0.0791 0.0259 187 ALA B C 3802 O O . ALA B 211 ? 0.8432 0.4502 0.8570 -0.1912 -0.0843 0.0327 187 ALA B O 3803 C CB . ALA B 211 ? 0.8342 0.4412 0.8415 -0.1952 -0.0691 0.0102 187 ALA B CB 3804 N N . ILE B 212 ? 0.8556 0.4587 0.8712 -0.1875 -0.0723 0.0289 188 ILE B N 3805 C CA . ILE B 212 ? 0.8772 0.4758 0.9001 -0.1850 -0.0674 0.0401 188 ILE B CA 3806 C C . ILE B 212 ? 0.9021 0.4917 0.9258 -0.1831 -0.0522 0.0425 188 ILE B C 3807 O O . ILE B 212 ? 0.8982 0.4839 0.9177 -0.1819 -0.0484 0.0370 188 ILE B O 3808 C CB . ILE B 212 ? 0.8751 0.4755 0.9028 -0.1825 -0.0733 0.0434 188 ILE B CB 3809 C CG1 . ILE B 212 ? 0.8753 0.4842 0.9035 -0.1839 -0.0890 0.0421 188 ILE B CG1 3810 C CG2 . ILE B 212 ? 0.7186 0.3139 0.7562 -0.1802 -0.0658 0.0544 188 ILE B CG2 3811 C CD1 . ILE B 212 ? 0.8821 0.4932 0.9188 -0.1818 -0.0955 0.0476 188 ILE B CD1 3812 N N . LYS B 213 ? 0.9370 0.5222 0.9655 -0.1825 -0.0445 0.0507 189 LYS B N 3813 C CA . LYS B 213 ? 0.9765 0.5521 1.0070 -0.1798 -0.0290 0.0545 189 LYS B CA 3814 C C . LYS B 213 ? 1.0117 0.5832 1.0488 -0.1785 -0.0233 0.0654 189 LYS B C 3815 O O . LYS B 213 ? 1.0120 0.5871 1.0503 -0.1804 -0.0312 0.0686 189 LYS B O 3816 C CB . LYS B 213 ? 0.9824 0.5561 1.0088 -0.1814 -0.0237 0.0480 189 LYS B CB 3817 C CG . LYS B 213 ? 0.9951 0.5594 1.0241 -0.1781 -0.0102 0.0503 189 LYS B CG 3818 C CD . LYS B 213 ? 0.9995 0.5634 1.0261 -0.1800 -0.0090 0.0428 189 LYS B CD 3819 C CE . LYS B 213 ? 1.0141 0.5689 1.0453 -0.1764 0.0019 0.0470 189 LYS B CE 3820 N NZ . LYS B 213 ? 1.0244 0.5719 1.0537 -0.1725 0.0033 0.0479 189 LYS B NZ 3821 N N . ASP B 214 ? 1.0511 0.6133 1.0914 -0.1750 -0.0099 0.0712 190 ASP B N 3822 C CA . ASP B 214 ? 1.0886 0.6444 1.1334 -0.1735 -0.0030 0.0812 190 ASP B CA 3823 C C . ASP B 214 ? 1.1055 0.6687 1.1589 -0.1745 -0.0174 0.0868 190 ASP B C 3824 O O . ASP B 214 ? 1.1122 0.6755 1.1712 -0.1747 -0.0217 0.0936 190 ASP B O 3825 C CB . ASP B 214 ? 1.1021 0.6543 1.1448 -0.1742 0.0025 0.0828 190 ASP B CB 3826 C CG . ASP B 214 ? 1.1098 0.6580 1.1511 -0.1729 0.0142 0.0776 190 ASP B CG 3827 O OD1 . ASP B 214 ? 1.1139 0.6567 1.1570 -0.1697 0.0227 0.0769 190 ASP B OD1 3828 O OD2 . ASP B 214 ? 1.1116 0.6619 1.1523 -0.1747 0.0135 0.0749 190 ASP B OD2 3829 N N . ASN B 215 ? 1.1149 0.6842 1.1714 -0.1747 -0.0260 0.0843 191 ASN B N 3830 C CA . ASN B 215 ? 1.1229 0.7017 1.1915 -0.1754 -0.0421 0.0886 191 ASN B CA 3831 C C . ASN B 215 ? 1.1210 0.7065 1.1903 -0.1777 -0.0571 0.0889 191 ASN B C 3832 O O . ASN B 215 ? 1.1275 0.7158 1.2089 -0.1774 -0.0670 0.0964 191 ASN B O 3833 C CB . ASN B 215 ? 1.1362 0.7114 1.2187 -0.1732 -0.0381 0.0986 191 ASN B CB 3834 C CG . ASN B 215 ? 1.1365 0.7042 1.2169 -0.1716 -0.0272 0.0984 191 ASN B CG 3835 O OD1 . ASN B 215 ? 1.1262 0.6957 1.2008 -0.1719 -0.0298 0.0921 191 ASN B OD1 3836 N ND2 . ASN B 215 ? 1.1468 0.7042 1.2301 -0.1700 -0.0154 0.1057 191 ASN B ND2 3837 N N . ARG B 216 ? 1.1152 0.7018 1.1716 -0.1801 -0.0588 0.0807 192 ARG B N 3838 C CA . ARG B 216 ? 1.1139 0.7031 1.1653 -0.1829 -0.0718 0.0797 192 ARG B CA 3839 C C . ARG B 216 ? 1.0782 0.6723 1.1185 -0.1855 -0.0778 0.0689 192 ARG B C 3840 O O . ARG B 216 ? 1.0712 0.6634 1.1030 -0.1867 -0.0693 0.0617 192 ARG B O 3841 C CB . ARG B 216 ? 1.1519 0.7330 1.1976 -0.1836 -0.0639 0.0824 192 ARG B CB 3842 C CG . ARG B 216 ? 1.1912 0.7672 1.2477 -0.1810 -0.0612 0.0935 192 ARG B CG 3843 C CD . ARG B 216 ? 1.2291 0.7956 1.2781 -0.1813 -0.0526 0.0960 192 ARG B CD 3844 N NE . ARG B 216 ? 1.2608 0.8215 1.3199 -0.1781 -0.0482 0.1063 192 ARG B NE 3845 C CZ . ARG B 216 ? 1.2862 0.8372 1.3407 -0.1773 -0.0408 0.1106 192 ARG B CZ 3846 N NH1 . ARG B 216 ? 1.2918 0.8378 1.3327 -0.1796 -0.0363 0.1059 192 ARG B NH1 3847 N NH2 . ARG B 216 ? 1.3016 0.8476 1.3663 -0.1741 -0.0381 0.1199 192 ARG B NH2 3848 N N . ALA B 217 ? 1.0550 0.6555 1.0969 -0.1861 -0.0930 0.0678 193 ALA B N 3849 C CA . ALA B 217 ? 1.0326 0.6376 1.0644 -0.1881 -0.0994 0.0577 193 ALA B CA 3850 C C . ALA B 217 ? 1.0253 0.6270 1.0458 -0.1915 -0.1055 0.0549 193 ALA B C 3851 O O . ALA B 217 ? 1.0401 0.6364 1.0604 -0.1921 -0.1115 0.0620 193 ALA B O 3852 C CB . ALA B 217 ? 1.0283 0.6401 1.0659 -0.1868 -0.1119 0.0577 193 ALA B CB 3853 N N . VAL B 218 ? 1.0069 0.6103 1.0176 -0.1938 -0.1040 0.0446 194 VAL B N 3854 C CA . VAL B 218 ? 1.0016 0.6002 1.0001 -0.1976 -0.1082 0.0408 194 VAL B CA 3855 C C . VAL B 218 ? 0.9895 0.5939 0.9826 -0.1989 -0.1131 0.0300 194 VAL B C 3856 O O . VAL B 218 ? 0.9825 0.5928 0.9785 -0.1983 -0.1067 0.0221 194 VAL B O 3857 C CB . VAL B 218 ? 1.0043 0.5958 0.9975 -0.2000 -0.0946 0.0388 194 VAL B CB 3858 C CG1 . VAL B 218 ? 1.0104 0.5974 0.9910 -0.2045 -0.0958 0.0314 194 VAL B CG1 3859 C CG2 . VAL B 218 ? 1.0150 0.5980 1.0097 -0.1991 -0.0918 0.0499 194 VAL B CG2 3860 N N . HIS B 219 ? 0.9840 0.5856 0.9690 -0.2004 -0.1251 0.0296 195 HIS B N 3861 C CA . HIS B 219 ? 0.9687 0.5737 0.9471 -0.2021 -0.1280 0.0189 195 HIS B CA 3862 C C . HIS B 219 ? 0.9844 0.5787 0.9492 -0.2068 -0.1242 0.0152 195 HIS B C 3863 O O . HIS B 219 ? 0.9986 0.5810 0.9521 -0.2084 -0.1317 0.0213 195 HIS B O 3864 C CB . HIS B 219 ? 0.9474 0.5558 0.9254 -0.2000 -0.1435 0.0201 195 HIS B CB 3865 C CG . HIS B 219 ? 0.9173 0.5351 0.9080 -0.1958 -0.1462 0.0226 195 HIS B CG 3866 N ND1 . HIS B 219 ? 0.9080 0.5258 0.9094 -0.1936 -0.1473 0.0328 195 HIS B ND1 3867 C CD2 . HIS B 219 ? 0.8982 0.5243 0.8923 -0.1936 -0.1473 0.0162 195 HIS B CD2 3868 C CE1 . HIS B 219 ? 0.8930 0.5176 0.9031 -0.1906 -0.1480 0.0327 195 HIS B CE1 3869 N NE2 . HIS B 219 ? 0.8876 0.5167 0.8923 -0.1904 -0.1487 0.0229 195 HIS B NE2 3870 N N . ALA B 220 ? 0.9860 0.5829 0.9520 -0.2092 -0.1128 0.0051 196 ALA B N 3871 C CA . ALA B 220 ? 1.0066 0.5925 0.9620 -0.2142 -0.1057 0.0014 196 ALA B CA 3872 C C . ALA B 220 ? 1.0090 0.5963 0.9608 -0.2170 -0.1057 -0.0106 196 ALA B C 3873 O O . ALA B 220 ? 0.9938 0.5936 0.9545 -0.2147 -0.1088 -0.0181 196 ALA B O 3874 C CB . ALA B 220 ? 1.0088 0.5941 0.9710 -0.2156 -0.0906 0.0003 196 ALA B CB 3875 N N . ASP B 221 ? 0.8117 0.6617 0.7317 -0.1444 -0.0773 -0.0273 197 ASP B N 3876 C CA . ASP B 221 ? 0.8158 0.6964 0.7371 -0.1409 -0.0739 -0.0239 197 ASP B CA 3877 C C . ASP B 221 ? 0.8221 0.7082 0.7426 -0.1603 -0.0725 -0.0224 197 ASP B C 3878 O O . ASP B 221 ? 0.8338 0.7014 0.7512 -0.1762 -0.0750 -0.0250 197 ASP B O 3879 C CB . ASP B 221 ? 0.8242 0.6899 0.7371 -0.1249 -0.0717 -0.0208 197 ASP B CB 3880 C CG . ASP B 221 ? 0.8337 0.7300 0.7451 -0.1129 -0.0660 -0.0181 197 ASP B CG 3881 O OD1 . ASP B 221 ? 0.8412 0.7712 0.7599 -0.1223 -0.0628 -0.0164 197 ASP B OD1 3882 O OD2 . ASP B 221 ? 0.8327 0.7188 0.7342 -0.0940 -0.0642 -0.0174 197 ASP B OD2 3883 N N . MET B 222 ? 0.8252 0.7333 0.7451 -0.1589 -0.0674 -0.0180 198 MET B N 3884 C CA . MET B 222 ? 0.8426 0.7556 0.7593 -0.1790 -0.0645 -0.0145 198 MET B CA 3885 C C . MET B 222 ? 0.8540 0.7282 0.7560 -0.1779 -0.0643 -0.0110 198 MET B C 3886 O O . MET B 222 ? 0.8703 0.7295 0.7636 -0.1950 -0.0637 -0.0073 198 MET B O 3887 C CB . MET B 222 ? 0.8467 0.8136 0.7720 -0.1796 -0.0575 -0.0106 198 MET B CB 3888 C CG . MET B 222 ? 0.8418 0.8584 0.7840 -0.1802 -0.0593 -0.0124 198 MET B CG 3889 S SD . MET B 222 ? 0.5966 0.6105 0.5405 -0.2124 -0.0670 -0.0173 198 MET B SD 3890 C CE . MET B 222 ? 0.6218 0.6153 0.5538 -0.2413 -0.0629 -0.0125 198 MET B CE 3891 N N . GLY B 223 ? 0.8481 0.7045 0.7446 -0.1589 -0.0655 -0.0115 199 GLY B N 3892 C CA . GLY B 223 ? 0.8545 0.6769 0.7365 -0.1573 -0.0679 -0.0084 199 GLY B CA 3893 C C . GLY B 223 ? 0.8413 0.6336 0.7241 -0.1490 -0.0754 -0.0107 199 GLY B C 3894 O O . GLY B 223 ? 0.8457 0.6123 0.7197 -0.1489 -0.0803 -0.0078 199 GLY B O 3895 N N . TYR B 224 ? 0.8220 0.6213 0.7157 -0.1426 -0.0765 -0.0149 200 TYR B N 3896 C CA . TYR B 224 ? 0.8052 0.5833 0.7024 -0.1365 -0.0819 -0.0164 200 TYR B CA 3897 C C . TYR B 224 ? 0.8040 0.5760 0.7101 -0.1427 -0.0834 -0.0190 200 TYR B C 3898 O O . TYR B 224 ? 0.8003 0.5854 0.7088 -0.1507 -0.0811 -0.0218 200 TYR B O 3899 C CB . TYR B 224 ? 0.7918 0.5755 0.6891 -0.1237 -0.0808 -0.0184 200 TYR B CB 3900 C CG . TYR B 224 ? 0.8032 0.5765 0.6849 -0.1147 -0.0802 -0.0174 200 TYR B CG 3901 C CD1 . TYR B 224 ? 0.8205 0.5933 0.6899 -0.1161 -0.0780 -0.0156 200 TYR B CD1 3902 C CD2 . TYR B 224 ? 0.8080 0.5673 0.6826 -0.1057 -0.0813 -0.0184 200 TYR B CD2 3903 C CE1 . TYR B 224 ? 0.8372 0.5955 0.6864 -0.1070 -0.0769 -0.0165 200 TYR B CE1 3904 C CE2 . TYR B 224 ? 0.8270 0.5675 0.6804 -0.0984 -0.0809 -0.0190 200 TYR B CE2 3905 C CZ . TYR B 224 ? 0.8378 0.5776 0.6780 -0.0982 -0.0787 -0.0188 200 TYR B CZ 3906 O OH . TYR B 224 ? 0.8573 0.5740 0.6709 -0.0901 -0.0778 -0.0211 200 TYR B OH 3907 N N . TRP B 225 ? 0.8140 0.5672 0.7238 -0.1390 -0.0875 -0.0184 201 TRP B N 3908 C CA . TRP B 225 ? 0.8279 0.5745 0.7444 -0.1392 -0.0870 -0.0220 201 TRP B CA 3909 C C . TRP B 225 ? 0.8243 0.5653 0.7500 -0.1302 -0.0897 -0.0204 201 TRP B C 3910 O O . TRP B 225 ? 0.8385 0.5685 0.7658 -0.1280 -0.0943 -0.0160 201 TRP B O 3911 C CB . TRP B 225 ? 0.8582 0.5847 0.7669 -0.1474 -0.0874 -0.0217 201 TRP B CB 3912 C CG . TRP B 225 ? 0.8798 0.5921 0.7898 -0.1442 -0.0859 -0.0266 201 TRP B CG 3913 C CD1 . TRP B 225 ? 0.8899 0.5860 0.8038 -0.1334 -0.0873 -0.0249 201 TRP B CD1 3914 C CD2 . TRP B 225 ? 0.8935 0.6077 0.7988 -0.1504 -0.0824 -0.0345 201 TRP B CD2 3915 N NE1 . TRP B 225 ? 0.9066 0.5917 0.8172 -0.1304 -0.0830 -0.0317 201 TRP B NE1 3916 C CE2 . TRP B 225 ? 0.9096 0.6029 0.8127 -0.1421 -0.0805 -0.0383 201 TRP B CE2 3917 C CE3 . TRP B 225 ? 0.8920 0.6264 0.7943 -0.1616 -0.0813 -0.0386 201 TRP B CE3 3918 C CZ2 . TRP B 225 ? 0.9274 0.6126 0.8204 -0.1457 -0.0769 -0.0475 201 TRP B CZ2 3919 C CZ3 . TRP B 225 ? 0.9048 0.6353 0.7995 -0.1673 -0.0799 -0.0469 201 TRP B CZ3 3920 C CH2 . TRP B 225 ? 0.9249 0.6277 0.8126 -0.1599 -0.0775 -0.0520 201 TRP B CH2 3921 N N . ILE B 226 ? 0.8047 0.5566 0.7367 -0.1258 -0.0870 -0.0228 202 ILE B N 3922 C CA . ILE B 226 ? 0.7927 0.5462 0.7343 -0.1211 -0.0886 -0.0200 202 ILE B CA 3923 C C . ILE B 226 ? 0.7787 0.5372 0.7299 -0.1166 -0.0838 -0.0226 202 ILE B C 3924 O O . ILE B 226 ? 0.7719 0.5378 0.7204 -0.1160 -0.0789 -0.0260 202 ILE B O 3925 C CB . ILE B 226 ? 0.7992 0.5560 0.7350 -0.1207 -0.0889 -0.0184 202 ILE B CB 3926 C CG1 . ILE B 226 ? 0.8078 0.5586 0.7300 -0.1218 -0.0912 -0.0174 202 ILE B CG1 3927 C CG2 . ILE B 226 ? 0.8020 0.5586 0.7454 -0.1222 -0.0920 -0.0145 202 ILE B CG2 3928 C CD1 . ILE B 226 ? 0.8175 0.5652 0.7269 -0.1174 -0.0895 -0.0174 202 ILE B CD1 3929 N N . GLU B 227 ? 0.7792 0.5349 0.7401 -0.1115 -0.0850 -0.0206 203 GLU B N 3930 C CA . GLU B 227 ? 0.7853 0.5460 0.7541 -0.1036 -0.0784 -0.0236 203 GLU B CA 3931 C C . GLU B 227 ? 0.7852 0.5673 0.7714 -0.1010 -0.0769 -0.0189 203 GLU B C 3932 O O . GLU B 227 ? 0.7872 0.5783 0.7847 -0.1024 -0.0835 -0.0123 203 GLU B O 3933 C CB . GLU B 227 ? 0.7987 0.5430 0.7663 -0.0952 -0.0785 -0.0243 203 GLU B CB 3934 C CG . GLU B 227 ? 0.8146 0.5329 0.7619 -0.1013 -0.0786 -0.0292 203 GLU B CG 3935 C CD . GLU B 227 ? 0.8473 0.5391 0.7874 -0.0923 -0.0789 -0.0284 203 GLU B CD 3936 O OE1 . GLU B 227 ? 0.8683 0.5357 0.7918 -0.0999 -0.0821 -0.0275 203 GLU B OE1 3937 O OE2 . GLU B 227 ? 0.8572 0.5523 0.8069 -0.0766 -0.0753 -0.0280 203 GLU B OE2 3938 N N . SER B 228 ? 0.7891 0.5810 0.7764 -0.0988 -0.0682 -0.0219 204 SER B N 3939 C CA . SER B 228 ? 0.8002 0.6156 0.8037 -0.0981 -0.0638 -0.0170 204 SER B CA 3940 C C . SER B 228 ? 0.8209 0.6437 0.8283 -0.0859 -0.0528 -0.0216 204 SER B C 3941 O O . SER B 228 ? 0.8334 0.6371 0.8244 -0.0810 -0.0491 -0.0298 204 SER B O 3942 C CB . SER B 228 ? 0.8060 0.6234 0.8006 -0.1080 -0.0618 -0.0150 204 SER B CB 3943 O OG . SER B 228 ? 0.8136 0.6163 0.7968 -0.1152 -0.0701 -0.0134 204 SER B OG 3944 N N . ALA B 229 ? 0.8351 0.6861 0.8624 -0.0818 -0.0471 -0.0165 205 ALA B N 3945 C CA . ALA B 229 ? 0.8620 0.7233 0.8930 -0.0666 -0.0343 -0.0207 205 ALA B CA 3946 C C . ALA B 229 ? 0.8751 0.7753 0.9259 -0.0684 -0.0252 -0.0140 205 ALA B C 3947 O O . ALA B 229 ? 0.8579 0.7732 0.9180 -0.0845 -0.0299 -0.0058 205 ALA B O 3948 C CB . ALA B 229 ? 0.8738 0.7285 0.9117 -0.0488 -0.0357 -0.0218 205 ALA B CB 3949 N N . LEU B 230 ? 0.9139 0.8281 0.9684 -0.0526 -0.0113 -0.0176 206 LEU B N 3950 C CA . LEU B 230 ? 0.9376 0.8954 1.0126 -0.0531 0.0004 -0.0107 206 LEU B CA 3951 C C . LEU B 230 ? 0.9847 0.9770 1.0886 -0.0322 0.0058 -0.0072 206 LEU B C 3952 O O . LEU B 230 ? 1.0090 1.0060 1.1093 -0.0112 0.0204 -0.0132 206 LEU B O 3953 C CB . LEU B 230 ? 0.9330 0.8855 0.9858 -0.0515 0.0156 -0.0168 206 LEU B CB 3954 C CG . LEU B 230 ? 0.9203 0.9170 0.9889 -0.0526 0.0316 -0.0098 206 LEU B CG 3955 C CD1 . LEU B 230 ? 0.8971 0.9184 0.9836 -0.0774 0.0255 0.0039 206 LEU B CD1 3956 C CD2 . LEU B 230 ? 0.9305 0.9137 0.9685 -0.0509 0.0451 -0.0166 206 LEU B CD2 3957 N N . ASN B 231 ? 1.0097 1.0257 1.1401 -0.0362 -0.0064 0.0022 207 ASN B N 3958 C CA . ASN B 231 ? 1.0548 1.1188 1.2194 -0.0176 -0.0026 0.0091 207 ASN B CA 3959 C C . ASN B 231 ? 1.0211 1.1421 1.2154 -0.0376 -0.0001 0.0209 207 ASN B C 3960 O O . ASN B 231 ? 1.0141 1.1391 1.2143 -0.0630 -0.0142 0.0277 207 ASN B O 3961 C CB . ASN B 231 ? 1.1209 1.1790 1.2955 -0.0088 -0.0193 0.0133 207 ASN B CB 3962 C CG . ASN B 231 ? 1.2021 1.3055 1.4083 0.0195 -0.0152 0.0199 207 ASN B CG 3963 O OD1 . ASN B 231 ? 1.2201 1.3500 1.4355 0.0384 0.0028 0.0181 207 ASN B OD1 3964 N ND2 . ASN B 231 ? 1.2638 1.3778 1.4854 0.0244 -0.0316 0.0279 207 ASN B ND2 3965 N N . ASP B 232 ? 0.9991 1.1614 1.2085 -0.0277 0.0187 0.0228 208 ASP B N 3966 C CA . ASP B 232 ? 0.9634 1.1781 1.1961 -0.0510 0.0251 0.0339 208 ASP B CA 3967 C C . ASP B 232 ? 0.9407 1.1174 1.1427 -0.0814 0.0228 0.0333 208 ASP B C 3968 O O . ASP B 232 ? 0.9495 1.1274 1.1373 -0.0864 0.0384 0.0328 208 ASP B O 3969 C CB . ASP B 232 ? 0.9449 1.2131 1.2183 -0.0635 0.0109 0.0470 208 ASP B CB 3970 C CG . ASP B 232 ? 0.9402 1.2679 1.2396 -0.0903 0.0184 0.0592 208 ASP B CG 3971 O OD1 . ASP B 232 ? 0.9304 1.2710 1.2404 -0.1218 0.0030 0.0677 208 ASP B OD1 3972 O OD2 . ASP B 232 ? 0.9503 1.3109 1.2573 -0.0813 0.0401 0.0603 208 ASP B OD2 3973 N N . THR B 233 ? 0.9157 1.0574 1.1048 -0.0994 0.0039 0.0337 209 THR B N 3974 C CA . THR B 233 ? 0.9053 1.0035 1.0615 -0.1222 0.0005 0.0326 209 THR B CA 3975 C C . THR B 233 ? 0.8846 0.9251 1.0118 -0.1164 -0.0118 0.0231 209 THR B C 3976 O O . THR B 233 ? 0.8774 0.9106 1.0105 -0.1016 -0.0203 0.0193 209 THR B O 3977 C CB . THR B 233 ? 0.9127 1.0246 1.0776 -0.1553 -0.0090 0.0438 209 THR B CB 3978 O OG1 . THR B 233 ? 0.9048 1.0245 1.0865 -0.1587 -0.0273 0.0460 209 THR B OG1 3979 C CG2 . THR B 233 ? 0.9258 1.0968 1.1176 -0.1676 0.0045 0.0546 209 THR B CG2 3980 N N . TRP B 234 ? 0.8785 0.8799 0.9738 -0.1277 -0.0124 0.0206 210 TRP B N 3981 C CA . TRP B 234 ? 0.8674 0.8220 0.9372 -0.1246 -0.0233 0.0131 210 TRP B CA 3982 C C . TRP B 234 ? 0.8717 0.8165 0.9449 -0.1381 -0.0400 0.0171 210 TRP B C 3983 O O . TRP B 234 ? 0.8810 0.8294 0.9544 -0.1590 -0.0440 0.0245 210 TRP B O 3984 C CB . TRP B 234 ? 0.8656 0.7892 0.9027 -0.1308 -0.0194 0.0111 210 TRP B CB 3985 C CG . TRP B 234 ? 0.8635 0.7827 0.8859 -0.1160 -0.0077 0.0033 210 TRP B CG 3986 C CD1 . TRP B 234 ? 0.8752 0.8119 0.8939 -0.1147 0.0074 0.0052 210 TRP B CD1 3987 C CD2 . TRP B 234 ? 0.8583 0.7527 0.8641 -0.1026 -0.0103 -0.0081 210 TRP B CD2 3988 N NE1 . TRP B 234 ? 0.8831 0.8054 0.8816 -0.1002 0.0137 -0.0055 210 TRP B NE1 3989 C CE2 . TRP B 234 ? 0.8717 0.7678 0.8624 -0.0941 0.0024 -0.0138 210 TRP B CE2 3990 C CE3 . TRP B 234 ? 0.8472 0.7185 0.8476 -0.0993 -0.0219 -0.0137 210 TRP B CE3 3991 C CZ2 . TRP B 234 ? 0.8774 0.7510 0.8471 -0.0842 0.0022 -0.0259 210 TRP B CZ2 3992 C CZ3 . TRP B 234 ? 0.8513 0.7031 0.8336 -0.0905 -0.0210 -0.0243 210 TRP B CZ3 3993 C CH2 . TRP B 234 ? 0.8676 0.7196 0.8343 -0.0840 -0.0099 -0.0307 210 TRP B CH2 3994 N N . LYS B 235 ? 0.8698 0.7986 0.9415 -0.1276 -0.0495 0.0120 211 LYS B N 3995 C CA . LYS B 235 ? 0.8700 0.7846 0.9381 -0.1386 -0.0651 0.0143 211 LYS B CA 3996 C C . LYS B 235 ? 0.8593 0.7455 0.9138 -0.1265 -0.0717 0.0075 211 LYS B C 3997 O O . LYS B 235 ? 0.8572 0.7376 0.9093 -0.1108 -0.0655 0.0017 211 LYS B O 3998 C CB . LYS B 235 ? 0.8742 0.8274 0.9721 -0.1454 -0.0727 0.0223 211 LYS B CB 3999 C CG . LYS B 235 ? 0.8745 0.8641 1.0004 -0.1244 -0.0671 0.0235 211 LYS B CG 4000 C CD . LYS B 235 ? 0.8789 0.9193 1.0387 -0.1319 -0.0746 0.0336 211 LYS B CD 4001 C CE . LYS B 235 ? 0.8845 0.9678 1.0740 -0.1067 -0.0654 0.0360 211 LYS B CE 4002 N NZ . LYS B 235 ? 0.8939 0.9878 1.0831 -0.0993 -0.0449 0.0330 211 LYS B NZ 4003 N N . ILE B 236 ? 0.8554 0.7215 0.8976 -0.1355 -0.0835 0.0081 212 ILE B N 4004 C CA . ILE B 236 ? 0.8462 0.6879 0.8745 -0.1273 -0.0891 0.0033 212 ILE B CA 4005 C C . ILE B 236 ? 0.8350 0.6903 0.8803 -0.1161 -0.0942 0.0058 212 ILE B C 4006 O O . ILE B 236 ? 0.8367 0.7191 0.9021 -0.1190 -0.1006 0.0126 212 ILE B O 4007 C CB . ILE B 236 ? 0.8571 0.6740 0.8642 -0.1385 -0.0982 0.0032 212 ILE B CB 4008 C CG1 . ILE B 236 ? 0.8581 0.6541 0.8505 -0.1310 -0.1012 -0.0011 212 ILE B CG1 4009 C CG2 . ILE B 236 ? 0.8673 0.6956 0.8825 -0.1515 -0.1094 0.0090 212 ILE B CG2 4010 C CD1 . ILE B 236 ? 0.8692 0.6426 0.8388 -0.1383 -0.1076 -0.0020 212 ILE B CD1 4011 N N . GLU B 237 ? 0.8271 0.6637 0.8631 -0.1036 -0.0919 0.0011 213 GLU B N 4012 C CA . GLU B 237 ? 0.8284 0.6690 0.8747 -0.0889 -0.0953 0.0040 213 GLU B CA 4013 C C . GLU B 237 ? 0.8285 0.6430 0.8579 -0.0897 -0.1049 0.0051 213 GLU B C 4014 O O . GLU B 237 ? 0.8317 0.6538 0.8686 -0.0850 -0.1146 0.0120 213 GLU B O 4015 C CB . GLU B 237 ? 0.8413 0.6752 0.8862 -0.0725 -0.0832 -0.0018 213 GLU B CB 4016 C CG . GLU B 237 ? 0.8384 0.7040 0.9022 -0.0665 -0.0723 -0.0014 213 GLU B CG 4017 C CD . GLU B 237 ? 0.8374 0.7433 0.9318 -0.0579 -0.0758 0.0078 213 GLU B CD 4018 O OE1 . GLU B 237 ? 0.8326 0.7760 0.9474 -0.0614 -0.0693 0.0114 213 GLU B OE1 4019 O OE2 . GLU B 237 ? 0.8435 0.7466 0.9417 -0.0480 -0.0852 0.0126 213 GLU B OE2 4020 N N . LYS B 238 ? 0.8262 0.6135 0.8330 -0.0955 -0.1023 -0.0007 214 LYS B N 4021 C CA . LYS B 238 ? 0.8294 0.5938 0.8183 -0.0988 -0.1092 0.0008 214 LYS B CA 4022 C C . LYS B 238 ? 0.8214 0.5754 0.7927 -0.1110 -0.1085 -0.0029 214 LYS B C 4023 O O . LYS B 238 ? 0.8120 0.5704 0.7819 -0.1143 -0.1021 -0.0075 214 LYS B O 4024 C CB . LYS B 238 ? 0.8405 0.5801 0.8179 -0.0903 -0.1053 -0.0013 214 LYS B CB 4025 C CG . LYS B 238 ? 0.8571 0.5975 0.8446 -0.0730 -0.1074 0.0041 214 LYS B CG 4026 C CD . LYS B 238 ? 0.8897 0.5923 0.8569 -0.0657 -0.1028 0.0011 214 LYS B CD 4027 C CE . LYS B 238 ? 0.9184 0.6165 0.8922 -0.0425 -0.1035 0.0065 214 LYS B CE 4028 N NZ . LYS B 238 ? 0.9586 0.6085 0.9055 -0.0351 -0.0980 0.0026 214 LYS B NZ 4029 N N . ALA B 239 ? 0.8259 0.5670 0.7824 -0.1155 -0.1147 -0.0001 215 ALA B N 4030 C CA . ALA B 239 ? 0.8139 0.5466 0.7525 -0.1229 -0.1123 -0.0034 215 ALA B CA 4031 C C . ALA B 239 ? 0.8234 0.5405 0.7454 -0.1255 -0.1146 -0.0005 215 ALA B C 4032 O O . ALA B 239 ? 0.8319 0.5434 0.7491 -0.1250 -0.1229 0.0055 215 ALA B O 4033 C CB . ALA B 239 ? 0.8105 0.5460 0.7439 -0.1282 -0.1165 -0.0032 215 ALA B CB 4034 N N . SER B 240 ? 0.8254 0.5383 0.7381 -0.1297 -0.1075 -0.0039 216 SER B N 4035 C CA . SER B 240 ? 0.8423 0.5423 0.7387 -0.1357 -0.1073 -0.0004 216 SER B CA 4036 C C . SER B 240 ? 0.8380 0.5480 0.7231 -0.1410 -0.1022 -0.0024 216 SER B C 4037 O O . SER B 240 ? 0.8231 0.5484 0.7134 -0.1408 -0.0962 -0.0075 216 SER B O 4038 C CB . SER B 240 ? 0.8573 0.5442 0.7514 -0.1392 -0.1029 -0.0018 216 SER B CB 4039 O OG . SER B 240 ? 0.8674 0.5443 0.7704 -0.1293 -0.1052 -0.0012 216 SER B OG 4040 N N . PHE B 241 ? 0.8548 0.5576 0.7233 -0.1438 -0.1045 0.0022 217 PHE B N 4041 C CA . PHE B 241 ? 0.8586 0.5723 0.7143 -0.1456 -0.0979 0.0006 217 PHE B CA 4042 C C . PHE B 241 ? 0.8739 0.5831 0.7138 -0.1548 -0.0944 0.0064 217 PHE B C 4043 O O . PHE B 241 ? 0.8966 0.5858 0.7260 -0.1576 -0.1004 0.0131 217 PHE B O 4044 C CB . PHE B 241 ? 0.8733 0.5813 0.7168 -0.1396 -0.1021 -0.0008 217 PHE B CB 4045 C CG . PHE B 241 ? 0.8710 0.5794 0.7258 -0.1344 -0.1057 -0.0049 217 PHE B CG 4046 C CD1 . PHE B 241 ? 0.8661 0.5833 0.7225 -0.1285 -0.0991 -0.0100 217 PHE B CD1 4047 C CD2 . PHE B 241 ? 0.8731 0.5750 0.7363 -0.1355 -0.1157 -0.0024 217 PHE B CD2 4048 C CE1 . PHE B 241 ? 0.8642 0.5772 0.7268 -0.1258 -0.1018 -0.0122 217 PHE B CE1 4049 C CE2 . PHE B 241 ? 0.8656 0.5706 0.7392 -0.1344 -0.1179 -0.0050 217 PHE B CE2 4050 C CZ . PHE B 241 ? 0.8623 0.5695 0.7336 -0.1306 -0.1107 -0.0098 217 PHE B CZ 4051 N N . ILE B 242 ? 0.8612 0.5915 0.6994 -0.1595 -0.0846 0.0050 218 ILE B N 4052 C CA . ILE B 242 ? 0.8711 0.6039 0.6927 -0.1696 -0.0787 0.0111 218 ILE B CA 4053 C C . ILE B 242 ? 0.8650 0.6149 0.6756 -0.1603 -0.0720 0.0086 218 ILE B C 4054 O O . ILE B 242 ? 0.8771 0.6324 0.6704 -0.1645 -0.0654 0.0129 218 ILE B O 4055 C CB . ILE B 242 ? 0.8761 0.6270 0.7055 -0.1850 -0.0713 0.0121 218 ILE B CB 4056 C CG1 . ILE B 242 ? 0.8653 0.6018 0.7071 -0.1896 -0.0763 0.0090 218 ILE B CG1 4057 C CG2 . ILE B 242 ? 0.9135 0.6561 0.7234 -0.2008 -0.0670 0.0212 218 ILE B CG2 4058 C CD1 . ILE B 242 ? 0.8664 0.6205 0.7139 -0.2076 -0.0708 0.0077 218 ILE B CD1 4059 N N . GLU B 243 ? 0.8489 0.6042 0.6665 -0.1466 -0.0728 0.0017 219 GLU B N 4060 C CA . GLU B 243 ? 0.8531 0.6173 0.6569 -0.1332 -0.0658 -0.0022 219 GLU B CA 4061 C C . GLU B 243 ? 0.8466 0.5910 0.6470 -0.1212 -0.0722 -0.0082 219 GLU B C 4062 O O . GLU B 243 ? 0.8226 0.5632 0.6404 -0.1223 -0.0782 -0.0096 219 GLU B O 4063 C CB . GLU B 243 ? 0.8398 0.6450 0.6569 -0.1290 -0.0542 -0.0034 219 GLU B CB 4064 C CG . GLU B 243 ? 0.8127 0.6313 0.6527 -0.1248 -0.0567 -0.0071 219 GLU B CG 4065 C CD . GLU B 243 ? 0.8033 0.6675 0.6557 -0.1178 -0.0472 -0.0074 219 GLU B CD 4066 O OE1 . GLU B 243 ? 0.8131 0.7015 0.6588 -0.1157 -0.0374 -0.0048 219 GLU B OE1 4067 O OE2 . GLU B 243 ? 0.7871 0.6662 0.6558 -0.1138 -0.0495 -0.0097 219 GLU B OE2 4068 N N . VAL B 244 ? 0.8758 0.6052 0.6504 -0.1109 -0.0700 -0.0119 220 VAL B N 4069 C CA . VAL B 244 ? 0.8929 0.5986 0.6576 -0.1014 -0.0745 -0.0178 220 VAL B CA 4070 C C . VAL B 244 ? 0.9153 0.6258 0.6646 -0.0818 -0.0628 -0.0226 220 VAL B C 4071 O O . VAL B 244 ? 0.9418 0.6457 0.6643 -0.0737 -0.0558 -0.0248 220 VAL B O 4072 C CB . VAL B 244 ? 0.9226 0.5931 0.6626 -0.1077 -0.0855 -0.0193 220 VAL B CB 4073 C CG1 . VAL B 244 ? 0.9392 0.5825 0.6676 -0.1034 -0.0905 -0.0251 220 VAL B CG1 4074 C CG2 . VAL B 244 ? 0.9086 0.5792 0.6646 -0.1223 -0.0973 -0.0129 220 VAL B CG2 4075 N N . LYS B 245 ? 0.9092 0.6309 0.6735 -0.0721 -0.0603 -0.0237 221 LYS B N 4076 C CA . LYS B 245 ? 0.9276 0.6564 0.6796 -0.0487 -0.0495 -0.0266 221 LYS B CA 4077 C C . LYS B 245 ? 0.9618 0.6461 0.6901 -0.0383 -0.0532 -0.0312 221 LYS B C 4078 O O . LYS B 245 ? 0.9504 0.6088 0.6801 -0.0524 -0.0640 -0.0315 221 LYS B O 4079 C CB . LYS B 245 ? 0.8976 0.6749 0.6803 -0.0434 -0.0439 -0.0229 221 LYS B CB 4080 C CG . LYS B 245 ? 0.8676 0.6526 0.6782 -0.0598 -0.0529 -0.0205 221 LYS B CG 4081 C CD . LYS B 245 ? 0.8493 0.6828 0.6860 -0.0581 -0.0488 -0.0178 221 LYS B CD 4082 C CE . LYS B 245 ? 0.8263 0.6634 0.6850 -0.0766 -0.0568 -0.0169 221 LYS B CE 4083 N NZ . LYS B 245 ? 0.8116 0.6935 0.6913 -0.0777 -0.0548 -0.0155 221 LYS B NZ 4084 N N . ASN B 246 ? 1.0053 0.6810 0.7109 -0.0135 -0.0436 -0.0343 222 ASN B N 4085 C CA . ASN B 246 ? 1.0537 0.6751 0.7255 -0.0029 -0.0457 -0.0390 222 ASN B CA 4086 C C . ASN B 246 ? 1.0645 0.6926 0.7419 0.0178 -0.0412 -0.0360 222 ASN B C 4087 O O . ASN B 246 ? 1.1197 0.7002 0.7643 0.0316 -0.0404 -0.0386 222 ASN B O 4088 C CB . ASN B 246 ? 1.1011 0.6864 0.7261 0.0116 -0.0386 -0.0463 222 ASN B CB 4089 C CG . ASN B 246 ? 1.1426 0.6560 0.7240 0.0106 -0.0449 -0.0528 222 ASN B CG 4090 O OD1 . ASN B 246 ? 1.1559 0.6365 0.7173 -0.0097 -0.0546 -0.0570 222 ASN B OD1 4091 N ND2 . ASN B 246 ? 1.1647 0.6521 0.7289 0.0315 -0.0402 -0.0530 222 ASN B ND2 4092 N N . CYS B 247 ? 1.0155 0.6996 0.7311 0.0190 -0.0391 -0.0302 223 CYS B N 4093 C CA . CYS B 247 ? 1.0123 0.7096 0.7357 0.0373 -0.0372 -0.0259 223 CYS B CA 4094 C C . CYS B 247 ? 1.0090 0.6762 0.7345 0.0224 -0.0470 -0.0240 223 CYS B C 4095 O O . CYS B 247 ? 1.0075 0.6466 0.7297 -0.0004 -0.0547 -0.0262 223 CYS B O 4096 C CB . CYS B 247 ? 0.7462 0.5165 0.5082 0.0400 -0.0336 -0.0208 223 CYS B CB 4097 S SG . CYS B 247 ? 1.1120 0.9194 0.9138 0.0035 -0.0412 -0.0191 223 CYS B SG 4098 N N . HIS B 248 ? 1.0137 0.6899 0.7443 0.0358 -0.0466 -0.0190 224 HIS B N 4099 C CA . HIS B 248 ? 1.0105 0.6639 0.7435 0.0216 -0.0539 -0.0159 224 HIS B CA 4100 C C . HIS B 248 ? 0.9654 0.6694 0.7356 0.0126 -0.0569 -0.0118 224 HIS B C 4101 O O . HIS B 248 ? 0.9523 0.7002 0.7364 0.0276 -0.0538 -0.0088 224 HIS B O 4102 C CB . HIS B 248 ? 1.0606 0.6664 0.7579 0.0417 -0.0517 -0.0128 224 HIS B CB 4103 C CG . HIS B 248 ? 1.1148 0.6526 0.7684 0.0413 -0.0514 -0.0180 224 HIS B CG 4104 N ND1 . HIS B 248 ? 1.1724 0.6541 0.7821 0.0624 -0.0477 -0.0168 224 HIS B ND1 4105 C CD2 . HIS B 248 ? 1.1237 0.6374 0.7670 0.0214 -0.0553 -0.0247 224 HIS B CD2 4106 C CE1 . HIS B 248 ? 1.2185 0.6417 0.7910 0.0535 -0.0490 -0.0238 224 HIS B CE1 4107 N NE2 . HIS B 248 ? 1.1863 0.6310 0.7796 0.0283 -0.0542 -0.0286 224 HIS B NE2 4108 N N . TRP B 249 ? 0.9433 0.6426 0.7284 -0.0118 -0.0631 -0.0120 225 TRP B N 4109 C CA . TRP B 249 ? 0.9046 0.6421 0.7183 -0.0214 -0.0657 -0.0100 225 TRP B CA 4110 C C . TRP B 249 ? 0.9066 0.6389 0.7103 -0.0085 -0.0655 -0.0044 225 TRP B C 4111 O O . TRP B 249 ? 0.9278 0.6201 0.7134 -0.0121 -0.0664 -0.0017 225 TRP B O 4112 C CB . TRP B 249 ? 0.8894 0.6203 0.7185 -0.0467 -0.0706 -0.0121 225 TRP B CB 4113 C CG . TRP B 249 ? 0.8642 0.6308 0.7192 -0.0568 -0.0721 -0.0127 225 TRP B CG 4114 C CD1 . TRP B 249 ? 0.8661 0.6459 0.7251 -0.0546 -0.0722 -0.0106 225 TRP B CD1 4115 C CD2 . TRP B 249 ? 0.8424 0.6297 0.7168 -0.0711 -0.0736 -0.0162 225 TRP B CD2 4116 N NE1 . TRP B 249 ? 0.8443 0.6511 0.7230 -0.0670 -0.0738 -0.0140 225 TRP B NE1 4117 C CE2 . TRP B 249 ? 0.8283 0.6376 0.7162 -0.0772 -0.0745 -0.0173 225 TRP B CE2 4118 C CE3 . TRP B 249 ? 0.8417 0.6268 0.7189 -0.0792 -0.0744 -0.0181 225 TRP B CE3 4119 C CZ2 . TRP B 249 ? 0.8117 0.6355 0.7140 -0.0913 -0.0759 -0.0210 225 TRP B CZ2 4120 C CZ3 . TRP B 249 ? 0.8253 0.6266 0.7182 -0.0927 -0.0757 -0.0199 225 TRP B CZ3 4121 C CH2 . TRP B 249 ? 0.8128 0.6306 0.7171 -0.0987 -0.0764 -0.0217 225 TRP B CH2 4122 N N . PRO B 250 ? 0.8832 0.6577 0.6977 0.0054 -0.0647 -0.0015 226 PRO B N 4123 C CA . PRO B 250 ? 0.8954 0.6690 0.6976 0.0219 -0.0653 0.0054 226 PRO B CA 4124 C C . PRO B 250 ? 0.8837 0.6458 0.6882 0.0050 -0.0685 0.0072 226 PRO B C 4125 O O . PRO B 250 ? 0.8579 0.6292 0.6814 -0.0173 -0.0701 0.0024 226 PRO B O 4126 C CB . PRO B 250 ? 0.8776 0.7143 0.7002 0.0331 -0.0664 0.0070 226 PRO B CB 4127 C CG . PRO B 250 ? 0.8467 0.7145 0.6957 0.0111 -0.0670 0.0003 226 PRO B CG 4128 C CD . PRO B 250 ? 0.8542 0.6826 0.6930 0.0037 -0.0640 -0.0039 226 PRO B CD 4129 N N . LYS B 251 ? 0.9026 0.6435 0.6852 0.0173 -0.0683 0.0148 227 LYS B N 4130 C CA . LYS B 251 ? 0.8885 0.6150 0.6677 0.0024 -0.0689 0.0180 227 LYS B CA 4131 C C . LYS B 251 ? 0.8636 0.6359 0.6594 -0.0007 -0.0721 0.0178 227 LYS B C 4132 O O . LYS B 251 ? 0.8579 0.6283 0.6565 -0.0158 -0.0716 0.0174 227 LYS B O 4133 C CB . LYS B 251 ? 0.9262 0.6041 0.6687 0.0150 -0.0668 0.0276 227 LYS B CB 4134 C CG . LYS B 251 ? 0.9526 0.5755 0.6691 0.0176 -0.0643 0.0271 227 LYS B CG 4135 C CD . LYS B 251 ? 0.9550 0.5406 0.6644 -0.0094 -0.0637 0.0277 227 LYS B CD 4136 C CE . LYS B 251 ? 0.9978 0.5209 0.6725 -0.0097 -0.0627 0.0278 227 LYS B CE 4137 N NZ . LYS B 251 ? 1.0061 0.5012 0.6770 -0.0403 -0.0632 0.0296 227 LYS B NZ 4138 N N . SER B 252 ? 0.8511 0.6664 0.6567 0.0134 -0.0754 0.0179 228 SER B N 4139 C CA . SER B 252 ? 0.8270 0.6869 0.6442 0.0093 -0.0805 0.0173 228 SER B CA 4140 C C . SER B 252 ? 0.7804 0.6573 0.6203 -0.0173 -0.0814 0.0068 228 SER B C 4141 O O . SER B 252 ? 0.7715 0.6650 0.6138 -0.0281 -0.0841 0.0038 228 SER B O 4142 C CB . SER B 252 ? 0.8334 0.7420 0.6583 0.0290 -0.0849 0.0206 228 SER B CB 4143 O OG . SER B 252 ? 0.8219 0.7481 0.6634 0.0291 -0.0823 0.0159 228 SER B OG 4144 N N . HIS B 253 ? 0.7600 0.6279 0.6121 -0.0267 -0.0788 0.0013 229 HIS B N 4145 C CA . HIS B 253 ? 0.7310 0.6083 0.6014 -0.0489 -0.0793 -0.0075 229 HIS B CA 4146 C C . HIS B 253 ? 0.7162 0.5555 0.5858 -0.0598 -0.0755 -0.0093 229 HIS B C 4147 O O . HIS B 253 ? 0.6896 0.5261 0.5718 -0.0720 -0.0753 -0.0145 229 HIS B O 4148 C CB . HIS B 253 ? 0.7248 0.6269 0.6103 -0.0522 -0.0800 -0.0109 229 HIS B CB 4149 C CG . HIS B 253 ? 0.7300 0.6815 0.6224 -0.0438 -0.0838 -0.0086 229 HIS B CG 4150 N ND1 . HIS B 253 ? 0.7476 0.7113 0.6304 -0.0184 -0.0841 -0.0006 229 HIS B ND1 4151 C CD2 . HIS B 253 ? 0.7208 0.7146 0.6288 -0.0578 -0.0877 -0.0126 229 HIS B CD2 4152 C CE1 . HIS B 253 ? 0.7436 0.7626 0.6399 -0.0156 -0.0884 0.0007 229 HIS B CE1 4153 N NE2 . HIS B 253 ? 0.7270 0.7659 0.6390 -0.0418 -0.0909 -0.0067 229 HIS B NE2 4154 N N . THR B 254 ? 0.7350 0.5470 0.5895 -0.0559 -0.0729 -0.0037 230 THR B N 4155 C CA . THR B 254 ? 0.7358 0.5189 0.5916 -0.0673 -0.0697 -0.0037 230 THR B CA 4156 C C . THR B 254 ? 0.7339 0.5146 0.5873 -0.0747 -0.0659 -0.0023 230 THR B C 4157 O O . THR B 254 ? 0.7512 0.5360 0.5902 -0.0677 -0.0653 0.0021 230 THR B O 4158 C CB . THR B 254 ? 0.7602 0.5077 0.5975 -0.0609 -0.0689 0.0021 230 THR B CB 4159 O OG1 . THR B 254 ? 0.7626 0.5138 0.5954 -0.0476 -0.0704 0.0012 230 THR B OG1 4160 C CG2 . THR B 254 ? 0.7598 0.4869 0.6037 -0.0767 -0.0686 0.0008 230 THR B CG2 4161 N N . LEU B 255 ? 0.7223 0.4993 0.5895 -0.0873 -0.0631 -0.0053 231 LEU B N 4162 C CA . LEU B 255 ? 0.7374 0.5163 0.6045 -0.0935 -0.0569 -0.0042 231 LEU B CA 4163 C C . LEU B 255 ? 0.7681 0.5266 0.6315 -0.1010 -0.0534 0.0035 231 LEU B C 4164 O O . LEU B 255 ? 0.7741 0.5222 0.6455 -0.1072 -0.0563 0.0037 231 LEU B O 4165 C CB . LEU B 255 ? 0.6032 0.3962 0.4890 -0.0999 -0.0549 -0.0128 231 LEU B CB 4166 C CG . LEU B 255 ? 0.5973 0.4055 0.4831 -0.0987 -0.0580 -0.0216 231 LEU B CG 4167 C CD1 . LEU B 255 ? 0.5859 0.3932 0.4872 -0.1041 -0.0587 -0.0287 231 LEU B CD1 4168 C CD2 . LEU B 255 ? 0.6104 0.4266 0.4834 -0.0979 -0.0538 -0.0243 231 LEU B CD2 4169 N N . TRP B 256 ? 0.7974 0.5504 0.6465 -0.1028 -0.0475 0.0103 232 TRP B N 4170 C CA . TRP B 256 ? 0.8222 0.5588 0.6675 -0.1153 -0.0430 0.0187 232 TRP B CA 4171 C C . TRP B 256 ? 0.8514 0.5531 0.6796 -0.1167 -0.0483 0.0236 232 TRP B C 4172 O O . TRP B 256 ? 0.8665 0.5586 0.7021 -0.1305 -0.0501 0.0247 232 TRP B O 4173 C CB . TRP B 256 ? 0.7981 0.5555 0.6726 -0.1269 -0.0399 0.0153 232 TRP B CB 4174 C CG . TRP B 256 ? 0.8066 0.5686 0.6831 -0.1406 -0.0315 0.0235 232 TRP B CG 4175 C CD1 . TRP B 256 ? 0.8363 0.5774 0.6881 -0.1475 -0.0271 0.0340 232 TRP B CD1 4176 C CD2 . TRP B 256 ? 0.7858 0.5777 0.6904 -0.1492 -0.0257 0.0232 232 TRP B CD2 4177 N NE1 . TRP B 256 ? 0.8414 0.5996 0.7053 -0.1635 -0.0184 0.0403 232 TRP B NE1 4178 C CE2 . TRP B 256 ? 0.8074 0.6008 0.7059 -0.1635 -0.0173 0.0337 232 TRP B CE2 4179 C CE3 . TRP B 256 ? 0.7554 0.5730 0.6889 -0.1449 -0.0265 0.0160 232 TRP B CE3 4180 C CZ2 . TRP B 256 ? 0.8006 0.6290 0.7254 -0.1738 -0.0092 0.0370 232 TRP B CZ2 4181 C CZ3 . TRP B 256 ? 0.7495 0.5982 0.7075 -0.1513 -0.0192 0.0193 232 TRP B CZ3 4182 C CH2 . TRP B 256 ? 0.7712 0.6293 0.7270 -0.1657 -0.0104 0.0295 232 TRP B CH2 4183 N N . SER B 257 ? 0.8615 0.5445 0.6651 -0.1015 -0.0511 0.0265 233 SER B N 4184 C CA . SER B 257 ? 0.8757 0.5199 0.6569 -0.0971 -0.0552 0.0295 233 SER B CA 4185 C C . SER B 257 ? 0.9109 0.5122 0.6605 -0.1052 -0.0517 0.0405 233 SER B C 4186 O O . SER B 257 ? 0.9439 0.5023 0.6627 -0.0970 -0.0539 0.0441 233 SER B O 4187 C CB . SER B 257 ? 0.8797 0.5263 0.6498 -0.0727 -0.0589 0.0277 233 SER B CB 4188 O OG . SER B 257 ? 0.8874 0.5492 0.6483 -0.0606 -0.0575 0.0323 233 SER B OG 4189 N N . ASN B 258 ? 0.9105 0.5215 0.6654 -0.1215 -0.0453 0.0460 234 ASN B N 4190 C CA . ASN B 258 ? 0.9560 0.5279 0.6800 -0.1339 -0.0407 0.0582 234 ASN B CA 4191 C C . ASN B 258 ? 0.9655 0.5263 0.6968 -0.1633 -0.0407 0.0601 234 ASN B C 4192 O O . ASN B 258 ? 0.9377 0.5399 0.7040 -0.1778 -0.0382 0.0574 234 ASN B O 4193 C CB . ASN B 258 ? 0.9521 0.5416 0.6708 -0.1340 -0.0323 0.0657 234 ASN B CB 4194 C CG . ASN B 258 ? 0.8981 0.5421 0.6551 -0.1409 -0.0272 0.0587 234 ASN B CG 4195 O OD1 . ASN B 258 ? 0.8636 0.5371 0.6339 -0.1261 -0.0288 0.0505 234 ASN B OD1 4196 N ND2 . ASN B 258 ? 0.8921 0.5498 0.6657 -0.1633 -0.0210 0.0621 234 ASN B ND2 4197 N N . GLY B 259 ? 1.0053 0.5101 0.7020 -0.1716 -0.0438 0.0649 235 GLY B N 4198 C CA . GLY B 259 ? 1.0248 0.5157 0.7231 -0.2037 -0.0459 0.0669 235 GLY B CA 4199 C C . GLY B 259 ? 0.9925 0.5103 0.7224 -0.2084 -0.0543 0.0556 235 GLY B C 4200 O O . GLY B 259 ? 0.9753 0.5317 0.7384 -0.2290 -0.0550 0.0553 235 GLY B O 4201 N N . VAL B 260 ? 0.9882 0.4881 0.7075 -0.1879 -0.0604 0.0473 236 VAL B N 4202 C CA . VAL B 260 ? 0.8471 0.3707 0.5921 -0.1898 -0.0683 0.0372 236 VAL B CA 4203 C C . VAL B 260 ? 0.9932 0.4673 0.7083 -0.2028 -0.0764 0.0339 236 VAL B C 4204 O O . VAL B 260 ? 1.0249 0.4522 0.7033 -0.1858 -0.0774 0.0309 236 VAL B O 4205 C CB . VAL B 260 ? 0.8884 0.4380 0.6481 -0.1612 -0.0688 0.0293 236 VAL B CB 4206 C CG1 . VAL B 260 ? 0.7788 0.3501 0.5619 -0.1647 -0.0762 0.0207 236 VAL B CG1 4207 C CG2 . VAL B 260 ? 0.8517 0.4459 0.6363 -0.1523 -0.0621 0.0308 236 VAL B CG2 4208 N N . LEU B 261 ? 0.9966 0.4831 0.7269 -0.2325 -0.0823 0.0344 237 LEU B N 4209 C CA . LEU B 261 ? 1.0297 0.4876 0.7388 -0.2447 -0.0901 0.0295 237 LEU B CA 4210 C C . LEU B 261 ? 1.0092 0.4749 0.7246 -0.2299 -0.0973 0.0188 237 LEU B C 4211 O O . LEU B 261 ? 0.9641 0.4756 0.7170 -0.2343 -0.1024 0.0165 237 LEU B O 4212 C CB . LEU B 261 ? 1.0205 0.5128 0.7542 -0.2768 -0.0939 0.0335 237 LEU B CB 4213 C CG . LEU B 261 ? 1.0371 0.5331 0.7706 -0.2999 -0.0869 0.0450 237 LEU B CG 4214 C CD1 . LEU B 261 ? 0.9959 0.5325 0.7613 -0.3010 -0.0789 0.0524 237 LEU B CD1 4215 C CD2 . LEU B 261 ? 1.0500 0.5705 0.7976 -0.3310 -0.0934 0.0467 237 LEU B CD2 4216 N N . GLU B 262 ? 1.2144 0.6127 0.7848 -0.3463 0.0237 0.0022 238 GLU B N 4217 C CA . GLU B 262 ? 1.1928 0.6028 0.7975 -0.3362 0.0303 0.0007 238 GLU B CA 4218 C C . GLU B 262 ? 1.1823 0.6297 0.7833 -0.3574 0.0379 0.0075 238 GLU B C 4219 O O . GLU B 262 ? 1.1506 0.6193 0.7845 -0.3522 0.0434 0.0082 238 GLU B O 4220 C CB . GLU B 262 ? 1.2275 0.5960 0.8189 -0.3221 0.0312 -0.0069 238 GLU B CB 4221 C CG . GLU B 262 ? 1.2457 0.5798 0.8410 -0.2984 0.0230 -0.0146 238 GLU B CG 4222 C CD . GLU B 262 ? 1.2702 0.5738 0.8660 -0.2806 0.0237 -0.0232 238 GLU B CD 4223 O OE1 . GLU B 262 ? 1.2727 0.5809 0.8676 -0.2868 0.0310 -0.0231 238 GLU B OE1 4224 O OE2 . GLU B 262 ? 1.2833 0.5609 0.8814 -0.2600 0.0166 -0.0303 238 GLU B OE2 4225 N N . SER B 263 ? 1.2093 0.6655 0.7697 -0.3807 0.0379 0.0118 239 SER B N 4226 C CA . SER B 263 ? 1.1994 0.6956 0.7556 -0.3998 0.0436 0.0174 239 SER B CA 4227 C C . SER B 263 ? 1.1608 0.7089 0.7519 -0.4036 0.0420 0.0228 239 SER B C 4228 O O . SER B 263 ? 1.1441 0.7334 0.7467 -0.4134 0.0460 0.0271 239 SER B O 4229 C CB . SER B 263 ? 1.2400 0.7258 0.7379 -0.4225 0.0433 0.0182 239 SER B CB 4230 O OG . SER B 263 ? 1.2564 0.7315 0.7296 -0.4292 0.0365 0.0184 239 SER B OG 4231 N N . GLU B 264 ? 1.1491 0.6953 0.7576 -0.3947 0.0356 0.0222 240 GLU B N 4232 C CA . GLU B 264 ? 1.1183 0.7129 0.7596 -0.3979 0.0327 0.0269 240 GLU B CA 4233 C C . GLU B 264 ? 1.0740 0.6778 0.7714 -0.3766 0.0319 0.0259 240 GLU B C 4234 O O . GLU B 264 ? 1.0399 0.6892 0.7717 -0.3778 0.0309 0.0302 240 GLU B O 4235 C CB . GLU B 264 ? 1.1444 0.7359 0.7667 -0.4050 0.0252 0.0269 240 GLU B CB 4236 C CG . GLU B 264 ? 1.1871 0.7873 0.7597 -0.4302 0.0254 0.0290 240 GLU B CG 4237 C CD . GLU B 264 ? 1.1693 0.8321 0.7538 -0.4456 0.0272 0.0339 240 GLU B CD 4238 O OE1 . GLU B 264 ? 1.1231 0.8249 0.7537 -0.4379 0.0255 0.0365 240 GLU B OE1 4239 O OE2 . GLU B 264 ? 1.1979 0.8712 0.7457 -0.4645 0.0294 0.0343 240 GLU B OE2 4240 N N . MET B 265 ? 1.0742 0.6355 0.7800 -0.3564 0.0315 0.0195 241 MET B N 4241 C CA . MET B 265 ? 1.0255 0.5901 0.7820 -0.3346 0.0311 0.0169 241 MET B CA 4242 C C . MET B 265 ? 0.9929 0.5893 0.7720 -0.3383 0.0384 0.0207 241 MET B C 4243 O O . MET B 265 ? 0.9205 0.5010 0.6851 -0.3392 0.0444 0.0188 241 MET B O 4244 C CB . MET B 265 ? 1.0402 0.5552 0.7964 -0.3124 0.0304 0.0079 241 MET B CB 4245 C CG . MET B 265 ? 1.0612 0.5419 0.8023 -0.3011 0.0222 0.0026 241 MET B CG 4246 S SD . MET B 265 ? 0.9924 0.4199 0.7214 -0.2784 0.0217 -0.0081 241 MET B SD 4247 C CE . MET B 265 ? 0.9581 0.4002 0.7367 -0.2622 0.0281 -0.0113 241 MET B CE 4248 N N . ILE B 266 ? 0.9506 0.5921 0.7653 -0.3400 0.0370 0.0259 242 ILE B N 4249 C CA . ILE B 266 ? 0.9242 0.5983 0.7628 -0.3418 0.0428 0.0298 242 ILE B CA 4250 C C . ILE B 266 ? 0.9231 0.5708 0.7801 -0.3253 0.0477 0.0246 242 ILE B C 4251 O O . ILE B 266 ? 0.9355 0.5782 0.7785 -0.3301 0.0543 0.0245 242 ILE B O 4252 C CB . ILE B 266 ? 0.8736 0.5965 0.7535 -0.3407 0.0383 0.0349 242 ILE B CB 4253 C CG1 . ILE B 266 ? 0.8690 0.6298 0.7324 -0.3587 0.0342 0.0399 242 ILE B CG1 4254 C CG2 . ILE B 266 ? 0.8472 0.5978 0.7535 -0.3388 0.0433 0.0383 242 ILE B CG2 4255 C CD1 . ILE B 266 ? 0.8240 0.6451 0.7284 -0.3509 0.0288 0.0441 242 ILE B CD1 4256 N N . ILE B 267 ? 0.9085 0.5404 0.7971 -0.3054 0.0442 0.0196 243 ILE B N 4257 C CA . ILE B 267 ? 0.9076 0.5153 0.8148 -0.2880 0.0483 0.0129 243 ILE B CA 4258 C C . ILE B 267 ? 0.9513 0.5115 0.8245 -0.2823 0.0488 0.0054 243 ILE B C 4259 O O . ILE B 267 ? 0.9634 0.4968 0.8266 -0.2725 0.0425 0.0006 243 ILE B O 4260 C CB . ILE B 267 ? 0.8708 0.4851 0.8263 -0.2611 0.0432 0.0087 243 ILE B CB 4261 C CG1 . ILE B 267 ? 0.8284 0.5013 0.8210 -0.2578 0.0388 0.0164 243 ILE B CG1 4262 C CG2 . ILE B 267 ? 0.8661 0.4591 0.8409 -0.2471 0.0489 0.0016 243 ILE B CG2 4263 C CD1 . ILE B 267 ? 0.7912 0.4795 0.8340 -0.2274 0.0321 0.0132 243 ILE B CD1 4264 N N . PRO B 268 ? 0.9751 0.5258 0.8305 -0.2880 0.0554 0.0042 244 PRO B N 4265 C CA . PRO B 268 ? 1.0216 0.5304 0.8414 -0.2855 0.0561 -0.0026 244 PRO B CA 4266 C C . PRO B 268 ? 1.0357 0.5104 0.8677 -0.2604 0.0506 -0.0129 244 PRO B C 4267 O O . PRO B 268 ? 1.0042 0.4856 0.8773 -0.2422 0.0494 -0.0167 244 PRO B O 4268 C CB . PRO B 268 ? 1.0179 0.5308 0.8382 -0.2898 0.0643 -0.0031 244 PRO B CB 4269 C CG . PRO B 268 ? 0.9899 0.5485 0.8246 -0.3041 0.0677 0.0064 244 PRO B CG 4270 C CD . PRO B 268 ? 0.9569 0.5385 0.8266 -0.2967 0.0623 0.0093 244 PRO B CD 4271 N N . LYS B 269 ? 1.0818 0.5220 0.8780 -0.2587 0.0466 -0.0174 245 LYS B N 4272 C CA . LYS B 269 ? 1.0981 0.5082 0.9032 -0.2334 0.0399 -0.0276 245 LYS B CA 4273 C C . LYS B 269 ? 1.0925 0.4957 0.9233 -0.2157 0.0428 -0.0362 245 LYS B C 4274 O O . LYS B 269 ? 1.0684 0.4706 0.9340 -0.1917 0.0381 -0.0432 245 LYS B O 4275 C CB . LYS B 269 ? 1.1448 0.5206 0.9020 -0.2374 0.0355 -0.0301 245 LYS B CB 4276 C CG . LYS B 269 ? 1.1527 0.4995 0.9173 -0.2107 0.0285 -0.0411 245 LYS B CG 4277 C CD . LYS B 269 ? 1.1984 0.5114 0.9129 -0.2164 0.0242 -0.0427 245 LYS B CD 4278 C CE . LYS B 269 ? 1.2041 0.4936 0.9292 -0.1890 0.0168 -0.0539 245 LYS B CE 4279 N NZ . LYS B 269 ? 1.2514 0.5076 0.9271 -0.1942 0.0116 -0.0547 245 LYS B NZ 4280 N N . ASN B 270 ? 1.1148 0.5154 0.9281 -0.2278 0.0501 -0.0358 246 ASN B N 4281 C CA . ASN B 270 ? 1.1190 0.5135 0.9521 -0.2143 0.0533 -0.0442 246 ASN B CA 4282 C C . ASN B 270 ? 1.0818 0.5078 0.9601 -0.2100 0.0575 -0.0423 246 ASN B C 4283 O O . ASN B 270 ? 1.0772 0.5026 0.9734 -0.2005 0.0606 -0.0489 246 ASN B O 4284 C CB . ASN B 270 ? 1.1559 0.5362 0.9537 -0.2293 0.0599 -0.0446 246 ASN B CB 4285 C CG . ASN B 270 ? 1.2059 0.5480 0.9640 -0.2260 0.0548 -0.0504 246 ASN B CG 4286 O OD1 . ASN B 270 ? 1.2161 0.5448 0.9668 -0.2175 0.0468 -0.0517 246 ASN B OD1 4287 N ND2 . ASN B 270 ? 1.2383 0.5627 0.9702 -0.2327 0.0592 -0.0537 246 ASN B ND2 4288 N N . LEU B 271 ? 1.0572 0.5113 0.9524 -0.2175 0.0573 -0.0335 247 LEU B N 4289 C CA . LEU B 271 ? 1.0236 0.5082 0.9621 -0.2126 0.0600 -0.0310 247 LEU B CA 4290 C C . LEU B 271 ? 1.0031 0.4921 0.9737 -0.1927 0.0523 -0.0335 247 LEU B C 4291 O O . LEU B 271 ? 0.9765 0.4942 0.9758 -0.1941 0.0530 -0.0277 247 LEU B O 4292 C CB . LEU B 271 ? 1.0063 0.5260 0.9439 -0.2358 0.0653 -0.0187 247 LEU B CB 4293 C CG . LEU B 271 ? 1.0198 0.5455 0.9338 -0.2541 0.0731 -0.0150 247 LEU B CG 4294 C CD1 . LEU B 271 ? 0.9925 0.5617 0.9210 -0.2691 0.0764 -0.0039 247 LEU B CD1 4295 C CD2 . LEU B 271 ? 0.8711 0.3819 0.7937 -0.2439 0.0775 -0.0238 247 LEU B CD2 4296 N N . ALA B 272 ? 1.0146 0.4769 0.9807 -0.1732 0.0444 -0.0423 248 ALA B N 4297 C CA . ALA B 272 ? 0.9877 0.4523 0.9796 -0.1518 0.0352 -0.0452 248 ALA B CA 4298 C C . ALA B 272 ? 0.9680 0.4482 0.9600 -0.1635 0.0340 -0.0362 248 ALA B C 4299 O O . ALA B 272 ? 0.9269 0.4206 0.9495 -0.1490 0.0294 -0.0363 248 ALA B O 4300 C CB . ALA B 272 ? 0.9561 0.4388 0.9879 -0.1325 0.0353 -0.0494 248 ALA B CB 4301 N N . GLY B 273 ? 0.9964 0.4773 0.9526 -0.1894 0.0375 -0.0287 249 GLY B N 4302 C CA . GLY B 273 ? 0.9884 0.4865 0.9378 -0.2039 0.0350 -0.0203 249 GLY B CA 4303 C C . GLY B 273 ? 0.9949 0.4715 0.9307 -0.1936 0.0257 -0.0237 249 GLY B C 4304 O O . GLY B 273 ? 1.0329 0.4807 0.9370 -0.1918 0.0232 -0.0281 249 GLY B O 4305 N N . PRO B 274 ? 0.9469 0.4447 0.9099 -0.1839 0.0197 -0.0214 250 PRO B N 4306 C CA . PRO B 274 ? 0.8288 0.3101 0.7827 -0.1733 0.0102 -0.0241 250 PRO B CA 4307 C C . PRO B 274 ? 0.9605 0.4226 0.8590 -0.1990 0.0091 -0.0200 250 PRO B C 4308 O O . PRO B 274 ? 0.9596 0.4526 0.8452 -0.2224 0.0115 -0.0110 250 PRO B O 4309 C CB . PRO B 274 ? 0.7827 0.3173 0.7800 -0.1619 0.0041 -0.0183 250 PRO B CB 4310 C CG . PRO B 274 ? 0.7498 0.3148 0.7876 -0.1546 0.0090 -0.0168 250 PRO B CG 4311 C CD . PRO B 274 ? 0.7727 0.3254 0.7831 -0.1770 0.0191 -0.0152 250 PRO B CD 4312 N N . VAL B 275 ? 0.9804 0.4109 0.8552 -0.1885 0.0047 -0.0262 251 VAL B N 4313 C CA . VAL B 275 ? 1.0090 0.4246 0.8330 -0.2088 0.0027 -0.0227 251 VAL B CA 4314 C C . VAL B 275 ? 0.9844 0.4099 0.8083 -0.2126 -0.0053 -0.0190 251 VAL B C 4315 O O . VAL B 275 ? 0.9812 0.3898 0.8091 -0.1938 -0.0129 -0.0241 251 VAL B O 4316 C CB . VAL B 275 ? 1.0460 0.4239 0.8430 -0.1973 0.0006 -0.0304 251 VAL B CB 4317 C CG1 . VAL B 275 ? 1.0342 0.4036 0.8667 -0.1629 -0.0054 -0.0400 251 VAL B CG1 4318 C CG2 . VAL B 275 ? 1.0797 0.4389 0.8229 -0.2164 -0.0029 -0.0268 251 VAL B CG2 4319 N N . SER B 276 ? 0.9629 0.4263 0.7877 -0.2346 -0.0038 -0.0100 252 SER B N 4320 C CA . SER B 276 ? 0.9378 0.4384 0.7798 -0.2305 -0.0115 -0.0063 252 SER B CA 4321 C C . SER B 276 ? 0.9286 0.4762 0.7585 -0.2577 -0.0094 0.0029 252 SER B C 4322 O O . SER B 276 ? 0.9252 0.4916 0.7513 -0.2745 -0.0019 0.0074 252 SER B O 4323 C CB . SER B 276 ? 0.8896 0.4245 0.7950 -0.1997 -0.0153 -0.0081 252 SER B CB 4324 O OG . SER B 276 ? 0.8691 0.4439 0.7929 -0.1956 -0.0229 -0.0045 252 SER B OG 4325 N N . GLN B 277 ? 0.9219 0.4902 0.7468 -0.2616 -0.0164 0.0050 253 GLN B N 4326 C CA . GLN B 277 ? 0.9091 0.5299 0.7289 -0.2840 -0.0158 0.0123 253 GLN B CA 4327 C C . GLN B 277 ? 0.8477 0.5294 0.7265 -0.2663 -0.0183 0.0148 253 GLN B C 4328 O O . GLN B 277 ? 0.8277 0.5611 0.7137 -0.2780 -0.0199 0.0196 253 GLN B O 4329 C CB . GLN B 277 ? 0.9322 0.5520 0.7222 -0.2958 -0.0224 0.0126 253 GLN B CB 4330 C CG . GLN B 277 ? 0.9927 0.5453 0.7255 -0.3083 -0.0228 0.0093 253 GLN B CG 4331 C CD . GLN B 277 ? 1.0209 0.5767 0.7158 -0.3291 -0.0277 0.0112 253 GLN B CD 4332 O OE1 . GLN B 277 ? 1.0009 0.6126 0.7073 -0.3398 -0.0289 0.0153 253 GLN B OE1 4333 N NE2 . GLN B 277 ? 1.0687 0.5643 0.7172 -0.3352 -0.0309 0.0078 253 GLN B NE2 4334 N N . HIS B 278 ? 0.8184 0.4930 0.7384 -0.2379 -0.0191 0.0110 254 HIS B N 4335 C CA . HIS B 278 ? 0.7726 0.4970 0.7456 -0.2221 -0.0204 0.0136 254 HIS B CA 4336 C C . HIS B 278 ? 0.7799 0.5076 0.7521 -0.2340 -0.0111 0.0166 254 HIS B C 4337 O O . HIS B 278 ? 0.7507 0.5200 0.7573 -0.2288 -0.0109 0.0203 254 HIS B O 4338 C CB . HIS B 278 ? 0.7479 0.4630 0.7648 -0.1870 -0.0258 0.0081 254 HIS B CB 4339 C CG . HIS B 278 ? 0.7364 0.4565 0.7631 -0.1722 -0.0357 0.0056 254 HIS B CG 4340 N ND1 . HIS B 278 ? 0.6961 0.4694 0.7550 -0.1638 -0.0430 0.0085 254 HIS B ND1 4341 C CD2 . HIS B 278 ? 0.7593 0.4374 0.7679 -0.1634 -0.0400 0.0000 254 HIS B CD2 4342 C CE1 . HIS B 278 ? 0.6979 0.4628 0.7583 -0.1514 -0.0507 0.0051 254 HIS B CE1 4343 N NE2 . HIS B 278 ? 0.7362 0.4432 0.7662 -0.1511 -0.0491 0.0001 254 HIS B NE2 4344 N N . ASN B 279 ? 0.8222 0.5042 0.7537 -0.2498 -0.0038 0.0149 255 ASN B N 4345 C CA . ASN B 279 ? 0.7808 0.4609 0.7044 -0.2642 0.0057 0.0175 255 ASN B CA 4346 C C . ASN B 279 ? 0.8986 0.5920 0.7799 -0.2989 0.0102 0.0235 255 ASN B C 4347 O O . ASN B 279 ? 0.8294 0.5018 0.6821 -0.3175 0.0184 0.0247 255 ASN B O 4348 C CB . ASN B 279 ? 0.8097 0.4306 0.7166 -0.2580 0.0109 0.0107 255 ASN B CB 4349 C CG . ASN B 279 ? 0.8082 0.4294 0.7201 -0.2651 0.0204 0.0119 255 ASN B CG 4350 O OD1 . ASN B 279 ? 0.8099 0.4728 0.7347 -0.2762 0.0233 0.0185 255 ASN B OD1 4351 N ND2 . ASN B 279 ? 0.8305 0.4049 0.7318 -0.2583 0.0248 0.0050 255 ASN B ND2 4352 N N . TYR B 280 ? 0.8906 0.6206 0.7686 -0.3077 0.0046 0.0268 256 TYR B N 4353 C CA . TYR B 280 ? 0.9142 0.6624 0.7530 -0.3411 0.0080 0.0319 256 TYR B CA 4354 C C . TYR B 280 ? 0.8815 0.6969 0.7478 -0.3462 0.0070 0.0372 256 TYR B C 4355 O O . TYR B 280 ? 0.8436 0.6939 0.7570 -0.3234 0.0007 0.0370 256 TYR B O 4356 C CB . TYR B 280 ? 0.9385 0.6762 0.7434 -0.3523 0.0027 0.0307 256 TYR B CB 4357 C CG . TYR B 280 ? 0.9937 0.6631 0.7495 -0.3614 0.0048 0.0271 256 TYR B CG 4358 C CD1 . TYR B 280 ? 1.0123 0.6337 0.7636 -0.3525 0.0097 0.0234 256 TYR B CD1 4359 C CD2 . TYR B 280 ? 1.0309 0.6837 0.7432 -0.3795 0.0014 0.0270 256 TYR B CD2 4360 C CE1 . TYR B 280 ? 1.0591 0.6234 0.7678 -0.3543 0.0101 0.0190 256 TYR B CE1 4361 C CE2 . TYR B 280 ? 1.0811 0.6719 0.7474 -0.3845 0.0019 0.0235 256 TYR B CE2 4362 C CZ . TYR B 280 ? 1.0938 0.6448 0.7609 -0.3677 0.0058 0.0191 256 TYR B CZ 4363 O OH . TYR B 280 ? 1.1396 0.6397 0.7660 -0.3643 0.0051 0.0147 256 TYR B OH 4364 N N . ARG B 281 ? 0.8947 0.7275 0.7302 -0.3760 0.0125 0.0416 257 ARG B N 4365 C CA . ARG B 281 ? 0.8672 0.7647 0.7218 -0.3839 0.0108 0.0458 257 ARG B CA 4366 C C . ARG B 281 ? 0.9002 0.8097 0.7077 -0.4191 0.0149 0.0485 257 ARG B C 4367 O O . ARG B 281 ? 0.9321 0.8113 0.7033 -0.4261 0.0218 0.0477 257 ARG B O 4368 C CB . ARG B 281 ? 0.8453 0.7583 0.7287 -0.3774 0.0150 0.0487 257 ARG B CB 4369 C CG . ARG B 281 ? 0.8110 0.7904 0.7245 -0.3765 0.0104 0.0520 257 ARG B CG 4370 C CD . ARG B 281 ? 0.7752 0.7841 0.7345 -0.3472 -0.0008 0.0497 257 ARG B CD 4371 N NE . ARG B 281 ? 0.7478 0.8174 0.7369 -0.3438 -0.0063 0.0523 257 ARG B NE 4372 C CZ . ARG B 281 ? 0.7159 0.8152 0.7508 -0.3171 -0.0160 0.0513 257 ARG B CZ 4373 N NH1 . ARG B 281 ? 0.7077 0.7829 0.7650 -0.2920 -0.0206 0.0479 257 ARG B NH1 4374 N NH2 . ARG B 281 ? 0.6925 0.8449 0.7500 -0.3152 -0.0217 0.0534 257 ARG B NH2 4375 N N . PRO B 282 ? 0.8699 0.8154 0.8420 -0.2362 -0.1179 0.0604 258 PRO B N 4376 C CA . PRO B 282 ? 0.8938 0.8772 0.8964 -0.2666 -0.1173 0.0672 258 PRO B CA 4377 C C . PRO B 282 ? 0.8873 0.8992 0.9222 -0.2658 -0.1357 0.0539 258 PRO B C 4378 O O . PRO B 282 ? 0.8603 0.9167 0.9155 -0.2421 -0.1328 0.0473 258 PRO B O 4379 C CB . PRO B 282 ? 0.8795 0.9233 0.9006 -0.2632 -0.0886 0.0724 258 PRO B CB 4380 C CG . PRO B 282 ? 0.8751 0.8923 0.8605 -0.2457 -0.0739 0.0725 258 PRO B CG 4381 C CD . PRO B 282 ? 0.8578 0.8250 0.8224 -0.2211 -0.0922 0.0622 258 PRO B CD 4382 N N . GLY B 283 ? 0.9190 0.9059 0.9595 -0.2919 -0.1551 0.0501 259 GLY B N 4383 C CA . GLY B 283 ? 0.9239 0.9426 0.9934 -0.2967 -0.1737 0.0333 259 GLY B CA 4384 C C . GLY B 283 ? 0.9206 0.9109 0.9723 -0.2741 -0.1928 0.0140 259 GLY B C 4385 O O . GLY B 283 ? 0.9119 0.9418 0.9809 -0.2693 -0.2063 -0.0010 259 GLY B O 4386 N N . TYR B 284 ? 0.9326 0.8599 0.9498 -0.2606 -0.1939 0.0143 260 TYR B N 4387 C CA . TYR B 284 ? 0.9300 0.8293 0.9302 -0.2395 -0.2092 -0.0047 260 TYR B CA 4388 C C . TYR B 284 ? 0.9656 0.7887 0.9469 -0.2481 -0.2213 -0.0101 260 TYR B C 4389 O O . TYR B 284 ? 0.9889 0.7752 0.9605 -0.2617 -0.2157 0.0077 260 TYR B O 4390 C CB . TYR B 284 ? 0.8922 0.8017 0.8766 -0.2028 -0.1972 -0.0009 260 TYR B CB 4391 C CG . TYR B 284 ? 0.8604 0.8420 0.8696 -0.1885 -0.1895 0.0035 260 TYR B CG 4392 C CD1 . TYR B 284 ? 0.8456 0.8618 0.8613 -0.1748 -0.2024 -0.0072 260 TYR B CD1 4393 C CD2 . TYR B 284 ? 0.8518 0.8700 0.8794 -0.1881 -0.1692 0.0191 260 TYR B CD2 4394 C CE1 . TYR B 284 ? 0.8276 0.9111 0.8687 -0.1602 -0.1977 0.0022 260 TYR B CE1 4395 C CE2 . TYR B 284 ? 0.8327 0.9162 0.8908 -0.1724 -0.1628 0.0246 260 TYR B CE2 4396 C CZ . TYR B 284 ? 0.8229 0.9379 0.8884 -0.1580 -0.1783 0.0185 260 TYR B CZ 4397 O OH . TYR B 284 ? 0.8110 0.9926 0.9095 -0.1407 -0.1741 0.0293 260 TYR B OH 4398 N N . HIS B 285 ? 0.9748 0.7777 0.9522 -0.2393 -0.2378 -0.0342 261 HIS B N 4399 C CA . HIS B 285 ? 1.0086 0.7406 0.9774 -0.2445 -0.2505 -0.0433 261 HIS B CA 4400 C C . HIS B 285 ? 1.0005 0.7121 0.9485 -0.2132 -0.2540 -0.0589 261 HIS B C 4401 O O . HIS B 285 ? 0.9675 0.7174 0.9062 -0.1898 -0.2456 -0.0591 261 HIS B O 4402 C CB . HIS B 285 ? 1.0368 0.7592 1.0323 -0.2721 -0.2678 -0.0649 261 HIS B CB 4403 C CG . HIS B 285 ? 1.0478 0.7932 1.0696 -0.3063 -0.2643 -0.0504 261 HIS B CG 4404 N ND1 . HIS B 285 ? 1.0889 0.7853 1.1204 -0.3332 -0.2652 -0.0325 261 HIS B ND1 4405 C CD2 . HIS B 285 ? 1.0311 0.8465 1.0744 -0.3182 -0.2595 -0.0488 261 HIS B CD2 4406 C CE1 . HIS B 285 ? 1.1001 0.8353 1.1572 -0.3621 -0.2593 -0.0215 261 HIS B CE1 4407 N NE2 . HIS B 285 ? 1.0642 0.8731 1.1304 -0.3532 -0.2561 -0.0327 261 HIS B NE2 4408 N N . THR B 286 ? 1.0333 0.6848 0.9785 -0.2130 -0.2658 -0.0707 262 THR B N 4409 C CA . THR B 286 ? 1.0314 0.6630 0.9609 -0.1847 -0.2683 -0.0868 262 THR B CA 4410 C C . THR B 286 ? 1.0334 0.7130 0.9631 -0.1729 -0.2712 -0.1133 262 THR B C 4411 O O . THR B 286 ? 1.0663 0.7531 1.0102 -0.1863 -0.2830 -0.1398 262 THR B O 4412 C CB . THR B 286 ? 1.0581 0.6394 0.9974 -0.1792 -0.2699 -0.0937 262 THR B CB 4413 O OG1 . THR B 286 ? 1.0807 0.6257 1.0175 -0.1891 -0.2680 -0.0632 262 THR B OG1 4414 C CG2 . THR B 286 ? 1.0339 0.6085 0.9622 -0.1474 -0.2651 -0.1059 262 THR B CG2 4415 N N . GLN B 287 ? 1.0078 0.7222 0.9221 -0.1484 -0.2595 -0.1054 263 GLN B N 4416 C CA . GLN B 287 ? 1.0095 0.7752 0.9193 -0.1356 -0.2611 -0.1223 263 GLN B CA 4417 C C . GLN B 287 ? 1.0258 0.7671 0.9262 -0.1226 -0.2677 -0.1513 263 GLN B C 4418 O O . GLN B 287 ? 0.9996 0.7498 0.8855 -0.0990 -0.2589 -0.1492 263 GLN B O 4419 C CB . GLN B 287 ? 0.9837 0.7905 0.8853 -0.1136 -0.2452 -0.0989 263 GLN B CB 4420 C CG . GLN B 287 ? 0.9782 0.8091 0.8925 -0.1214 -0.2346 -0.0721 263 GLN B CG 4421 C CD . GLN B 287 ? 0.9904 0.8767 0.9244 -0.1390 -0.2420 -0.0742 263 GLN B CD 4422 O OE1 . GLN B 287 ? 0.9776 0.9192 0.9138 -0.1290 -0.2447 -0.0757 263 GLN B OE1 4423 N NE2 . GLN B 287 ? 1.0158 0.8908 0.9654 -0.1664 -0.2458 -0.0723 263 GLN B NE2 4424 N N . ILE B 288 ? 1.0685 0.7840 0.9826 -0.1372 -0.2781 -0.1777 264 ILE B N 4425 C CA . ILE B 288 ? 1.0856 0.7920 1.0003 -0.1217 -0.2710 -0.2033 264 ILE B CA 4426 C C . ILE B 288 ? 1.0771 0.8407 0.9755 -0.1146 -0.2748 -0.2273 264 ILE B C 4427 O O . ILE B 288 ? 1.0774 0.8443 0.9653 -0.0965 -0.2675 -0.2419 264 ILE B O 4428 C CB . ILE B 288 ? 1.1299 0.8066 1.0705 -0.1359 -0.2692 -0.2207 264 ILE B CB 4429 C CG1 . ILE B 288 ? 1.1459 0.7780 1.1018 -0.1492 -0.2697 -0.1927 264 ILE B CG1 4430 C CG2 . ILE B 288 ? 1.1424 0.7984 1.0868 -0.1176 -0.2602 -0.2400 264 ILE B CG2 4431 C CD1 . ILE B 288 ? 1.1933 0.7905 1.1770 -0.1624 -0.2691 -0.2050 264 ILE B CD1 4432 N N . THR B 289 ? 1.0714 0.8864 0.9682 -0.1293 -0.2866 -0.2295 265 THR B N 4433 C CA . THR B 289 ? 1.0710 0.9533 0.9493 -0.1228 -0.2919 -0.2469 265 THR B CA 4434 C C . THR B 289 ? 1.0226 0.9569 0.8893 -0.1063 -0.2806 -0.2071 265 THR B C 4435 O O . THR B 289 ? 1.0298 1.0331 0.8918 -0.1086 -0.2857 -0.2034 265 THR B O 4436 C CB . THR B 289 ? 1.1150 1.0403 1.0047 -0.1475 -0.3006 -0.2717 265 THR B CB 4437 O OG1 . THR B 289 ? 1.1531 1.0268 1.0695 -0.1671 -0.2960 -0.2834 265 THR B OG1 4438 C CG2 . THR B 289 ? 1.1432 1.1150 1.0108 -0.1422 -0.2988 -0.3009 265 THR B CG2 4439 N N . GLY B 290 ? 0.9775 0.8790 0.8427 -0.0896 -0.2660 -0.1778 266 GLY B N 4440 C CA . GLY B 290 ? 0.9351 0.8749 0.7945 -0.0704 -0.2527 -0.1429 266 GLY B CA 4441 C C . GLY B 290 ? 0.9305 0.8943 0.7690 -0.0503 -0.2461 -0.1479 266 GLY B C 4442 O O . GLY B 290 ? 0.9599 0.9097 0.7882 -0.0508 -0.2503 -0.1804 266 GLY B O 4443 N N . PRO B 291 ? 0.9058 0.9064 0.7411 -0.0325 -0.2345 -0.1155 267 PRO B N 4444 C CA . PRO B 291 ? 0.9122 0.9418 0.7280 -0.0150 -0.2262 -0.1131 267 PRO B CA 4445 C C . PRO B 291 ? 0.9041 0.8814 0.7184 -0.0013 -0.2123 -0.1155 267 PRO B C 4446 O O . PRO B 291 ? 0.8887 0.8740 0.7031 0.0156 -0.1973 -0.0898 267 PRO B O 4447 C CB . PRO B 291 ? 0.8946 0.9731 0.7173 -0.0017 -0.2187 -0.0701 267 PRO B CB 4448 C CG . PRO B 291 ? 0.8720 0.9217 0.7208 -0.0048 -0.2144 -0.0514 267 PRO B CG 4449 C CD . PRO B 291 ? 0.8820 0.9043 0.7357 -0.0286 -0.2282 -0.0793 267 PRO B CD 4450 N N . TRP B 292 ? 0.9199 0.8455 0.7369 -0.0088 -0.2180 -0.1456 268 TRP B N 4451 C CA . TRP B 292 ? 0.9151 0.7940 0.7351 0.0038 -0.2078 -0.1499 268 TRP B CA 4452 C C . TRP B 292 ? 0.9455 0.8517 0.7506 0.0153 -0.2003 -0.1669 268 TRP B C 4453 O O . TRP B 292 ? 0.9520 0.8273 0.7624 0.0253 -0.1925 -0.1769 268 TRP B O 4454 C CB . TRP B 292 ? 0.9114 0.7272 0.7437 -0.0062 -0.2183 -0.1720 268 TRP B CB 4455 C CG . TRP B 292 ? 0.8937 0.6891 0.7373 -0.0224 -0.2261 -0.1580 268 TRP B CG 4456 C CD1 . TRP B 292 ? 0.9104 0.6995 0.7611 -0.0431 -0.2409 -0.1744 268 TRP B CD1 4457 C CD2 . TRP B 292 ? 0.8609 0.6426 0.7113 -0.0207 -0.2177 -0.1263 268 TRP B CD2 4458 N NE1 . TRP B 292 ? 0.8979 0.6721 0.7587 -0.0550 -0.2415 -0.1514 268 TRP B NE1 4459 C CE2 . TRP B 292 ? 0.8675 0.6386 0.7267 -0.0409 -0.2270 -0.1232 268 TRP B CE2 4460 C CE3 . TRP B 292 ? 0.8313 0.6097 0.6835 -0.0053 -0.2021 -0.1027 268 TRP B CE3 4461 C CZ2 . TRP B 292 ? 0.8526 0.6147 0.7185 -0.0452 -0.2200 -0.0976 268 TRP B CZ2 4462 C CZ3 . TRP B 292 ? 0.8173 0.5839 0.6777 -0.0092 -0.1962 -0.0811 268 TRP B CZ3 4463 C CH2 . TRP B 292 ? 0.8285 0.5893 0.6937 -0.0286 -0.2045 -0.0787 268 TRP B CH2 4464 N N . HIS B 293 ? 0.9696 0.9392 0.7563 0.0133 -0.2025 -0.1698 269 HIS B N 4465 C CA . HIS B 293 ? 0.9929 1.0001 0.7604 0.0227 -0.1930 -0.1832 269 HIS B CA 4466 C C . HIS B 293 ? 0.9844 1.0159 0.7497 0.0385 -0.1748 -0.1403 269 HIS B C 4467 O O . HIS B 293 ? 0.9944 1.0549 0.7463 0.0472 -0.1621 -0.1413 269 HIS B O 4468 C CB . HIS B 293 ? 1.0269 1.0977 0.7708 0.0119 -0.2043 -0.2068 269 HIS B CB 4469 C CG . HIS B 293 ? 1.0265 1.1529 0.7635 0.0081 -0.2113 -0.1737 269 HIS B CG 4470 N ND1 . HIS B 293 ? 1.0296 1.1559 0.7793 -0.0074 -0.2278 -0.1754 269 HIS B ND1 4471 C CD2 . HIS B 293 ? 1.0272 1.2132 0.7499 0.0182 -0.2044 -0.1360 269 HIS B CD2 4472 C CE1 . HIS B 293 ? 1.0261 1.2120 0.7712 -0.0053 -0.2314 -0.1424 269 HIS B CE1 4473 N NE2 . HIS B 293 ? 1.0257 1.2472 0.7544 0.0109 -0.2181 -0.1165 269 HIS B NE2 4474 N N . LEU B 294 ? 0.9708 0.9900 0.7526 0.0416 -0.1721 -0.1031 270 LEU B N 4475 C CA . LEU B 294 ? 0.9682 1.0026 0.7574 0.0563 -0.1549 -0.0608 270 LEU B CA 4476 C C . LEU B 294 ? 0.9624 0.9516 0.7662 0.0659 -0.1388 -0.0613 270 LEU B C 4477 O O . LEU B 294 ? 0.9642 0.9720 0.7696 0.0762 -0.1222 -0.0393 270 LEU B O 4478 C CB . LEU B 294 ? 0.9496 0.9829 0.7592 0.0574 -0.1563 -0.0272 270 LEU B CB 4479 C CG . LEU B 294 ? 0.9600 1.0482 0.7621 0.0495 -0.1719 -0.0201 270 LEU B CG 4480 C CD1 . LEU B 294 ? 0.9398 1.0246 0.7701 0.0523 -0.1711 0.0102 270 LEU B CD1 4481 C CD2 . LEU B 294 ? 0.9808 1.1393 0.7606 0.0561 -0.1706 -0.0029 270 LEU B CD2 4482 N N . GLY B 295 ? 0.9587 0.8911 0.7747 0.0616 -0.1443 -0.0845 271 GLY B N 4483 C CA . GLY B 295 ? 0.9479 0.8404 0.7801 0.0696 -0.1329 -0.0878 271 GLY B CA 4484 C C . GLY B 295 ? 0.9239 0.7898 0.7781 0.0742 -0.1235 -0.0586 271 GLY B C 4485 O O . GLY B 295 ? 0.9106 0.7304 0.7772 0.0720 -0.1268 -0.0669 271 GLY B O 4486 N N . LYS B 296 ? 0.9230 0.8196 0.7831 0.0809 -0.1120 -0.0245 272 LYS B N 4487 C CA . LYS B 296 ? 0.9145 0.7886 0.8006 0.0858 -0.1019 0.0005 272 LYS B CA 4488 C C . LYS B 296 ? 0.9158 0.8143 0.8047 0.0841 -0.1081 0.0205 272 LYS B C 4489 O O . LYS B 296 ? 0.9328 0.8806 0.8119 0.0866 -0.1108 0.0370 272 LYS B O 4490 C CB . LYS B 296 ? 0.9216 0.8042 0.8260 0.0968 -0.0809 0.0258 272 LYS B CB 4491 C CG . LYS B 296 ? 0.9173 0.7725 0.8554 0.1022 -0.0685 0.0461 272 LYS B CG 4492 C CD . LYS B 296 ? 0.9300 0.7879 0.8929 0.1109 -0.0472 0.0705 272 LYS B CD 4493 C CE . LYS B 296 ? 0.9247 0.7525 0.9271 0.1158 -0.0345 0.0851 272 LYS B CE 4494 N NZ . LYS B 296 ? 0.9331 0.7565 0.9680 0.1224 -0.0131 0.1088 272 LYS B NZ 4495 N N . LEU B 297 ? 0.8979 0.7675 0.8003 0.0795 -0.1105 0.0188 273 LEU B N 4496 C CA . LEU B 297 ? 0.8894 0.7837 0.8009 0.0778 -0.1150 0.0354 273 LEU B CA 4497 C C . LEU B 297 ? 0.8706 0.7337 0.8037 0.0762 -0.1082 0.0371 273 LEU B C 4498 O O . LEU B 297 ? 0.8654 0.6864 0.7987 0.0728 -0.1049 0.0211 273 LEU B O 4499 C CB . LEU B 297 ? 0.8953 0.8117 0.7854 0.0637 -0.1350 0.0178 273 LEU B CB 4500 C CG . LEU B 297 ? 0.8945 0.7685 0.7735 0.0492 -0.1464 -0.0132 273 LEU B CG 4501 C CD1 . LEU B 297 ? 0.9049 0.7941 0.7821 0.0337 -0.1608 -0.0186 273 LEU B CD1 4502 C CD2 . LEU B 297 ? 0.9074 0.7739 0.7677 0.0480 -0.1524 -0.0388 273 LEU B CD2 4503 N N . GLU B 298 ? 0.8584 0.7479 0.8098 0.0789 -0.1064 0.0556 274 GLU B N 4504 C CA . GLU B 298 ? 0.8423 0.7126 0.8164 0.0783 -0.0968 0.0562 274 GLU B CA 4505 C C . GLU B 298 ? 0.8429 0.7425 0.8187 0.0681 -0.1070 0.0571 274 GLU B C 4506 O O . GLU B 298 ? 0.8421 0.7849 0.8374 0.0760 -0.1070 0.0782 274 GLU B O 4507 C CB . GLU B 298 ? 0.8316 0.7058 0.8436 0.0966 -0.0772 0.0802 274 GLU B CB 4508 C CG . GLU B 298 ? 0.8182 0.6630 0.8547 0.0975 -0.0621 0.0714 274 GLU B CG 4509 C CD . GLU B 298 ? 0.8076 0.6074 0.8393 0.0954 -0.0546 0.0527 274 GLU B CD 4510 O OE1 . GLU B 298 ? 0.8088 0.6002 0.8239 0.0952 -0.0594 0.0494 274 GLU B OE1 4511 O OE2 . GLU B 298 ? 0.8002 0.5774 0.8456 0.0935 -0.0437 0.0394 274 GLU B OE2 4512 N N . MET B 299 ? 0.8450 0.7232 0.8032 0.0501 -0.1162 0.0365 275 MET B N 4513 C CA . MET B 299 ? 0.8427 0.7483 0.8038 0.0361 -0.1257 0.0361 275 MET B CA 4514 C C . MET B 299 ? 0.8211 0.7202 0.8004 0.0317 -0.1130 0.0371 275 MET B C 4515 O O . MET B 299 ? 0.8136 0.6749 0.7863 0.0295 -0.1042 0.0269 275 MET B O 4516 C CB . MET B 299 ? 0.8607 0.7540 0.7942 0.0160 -0.1453 0.0154 275 MET B CB 4517 C CG . MET B 299 ? 0.8672 0.7123 0.7867 0.0012 -0.1473 0.0005 275 MET B CG 4518 S SD . MET B 299 ? 0.8973 0.7524 0.8169 -0.0262 -0.1591 -0.0039 275 MET B SD 4519 C CE . MET B 299 ? 0.6336 0.4270 0.5326 -0.0396 -0.1617 -0.0136 275 MET B CE 4520 N N . ASP B 300 ? 0.8116 0.7540 0.8148 0.0306 -0.1119 0.0486 276 ASP B N 4521 C CA . ASP B 300 ? 0.8022 0.7498 0.8266 0.0268 -0.0971 0.0484 276 ASP B CA 4522 C C . ASP B 300 ? 0.7983 0.7961 0.8416 0.0158 -0.1033 0.0549 276 ASP B C 4523 O O . ASP B 300 ? 0.8059 0.8252 0.8383 0.0042 -0.1224 0.0536 276 ASP B O 4524 C CB . ASP B 300 ? 0.7905 0.7368 0.8487 0.0498 -0.0750 0.0574 276 ASP B CB 4525 C CG . ASP B 300 ? 0.7858 0.7644 0.8713 0.0716 -0.0755 0.0816 276 ASP B CG 4526 O OD1 . ASP B 300 ? 0.7857 0.8032 0.8667 0.0685 -0.0924 0.0920 276 ASP B OD1 4527 O OD2 . ASP B 300 ? 0.7854 0.7514 0.8981 0.0911 -0.0594 0.0910 276 ASP B OD2 4528 N N . PHE B 301 ? 0.7870 0.8066 0.8618 0.0190 -0.0865 0.0588 277 PHE B N 4529 C CA . PHE B 301 ? 0.7837 0.8543 0.8817 0.0070 -0.0902 0.0637 277 PHE B CA 4530 C C . PHE B 301 ? 0.7740 0.8950 0.9261 0.0295 -0.0782 0.0808 277 PHE B C 4531 O O . PHE B 301 ? 0.7736 0.8994 0.9542 0.0365 -0.0563 0.0776 277 PHE B O 4532 C CB . PHE B 301 ? 0.7970 0.8540 0.8817 -0.0182 -0.0828 0.0508 277 PHE B CB 4533 C CG . PHE B 301 ? 0.8142 0.8229 0.8526 -0.0394 -0.0972 0.0392 277 PHE B CG 4534 C CD1 . PHE B 301 ? 0.8230 0.7793 0.8332 -0.0370 -0.0912 0.0303 277 PHE B CD1 4535 C CD2 . PHE B 301 ? 0.8308 0.8468 0.8583 -0.0610 -0.1178 0.0363 277 PHE B CD2 4536 C CE1 . PHE B 301 ? 0.8366 0.7496 0.8102 -0.0535 -0.1060 0.0224 277 PHE B CE1 4537 C CE2 . PHE B 301 ? 0.8471 0.8145 0.8397 -0.0782 -0.1310 0.0260 277 PHE B CE2 4538 C CZ . PHE B 301 ? 0.8490 0.7650 0.8153 -0.0732 -0.1254 0.0209 277 PHE B CZ 4539 N N . ASP B 302 ? 0.7634 0.9237 0.9298 0.0414 -0.0932 0.0986 278 ASP B N 4540 C CA . ASP B 302 ? 0.7554 0.9702 0.9763 0.0641 -0.0882 0.1211 278 ASP B CA 4541 C C . ASP B 302 ? 0.7576 1.0226 0.9741 0.0628 -0.1149 0.1359 278 ASP B C 4542 O O . ASP B 302 ? 0.7666 1.0158 0.9384 0.0473 -0.1323 0.1250 278 ASP B O 4543 C CB . ASP B 302 ? 0.7477 0.9376 0.9936 0.0948 -0.0706 0.1346 278 ASP B CB 4544 C CG . ASP B 302 ? 0.7447 0.9824 1.0586 0.1205 -0.0605 0.1570 278 ASP B CG 4545 O OD1 . ASP B 302 ? 0.7410 1.0314 1.0838 0.1141 -0.0633 0.1576 278 ASP B OD1 4546 O OD2 . ASP B 302 ? 0.7446 0.9668 1.0878 0.1473 -0.0492 0.1743 278 ASP B OD2 4547 N N . PHE B 303 ? 0.7524 1.0807 1.0160 0.0792 -0.1190 0.1590 279 PHE B N 4548 C CA . PHE B 303 ? 0.7585 1.1437 1.0162 0.0785 -0.1462 0.1741 279 PHE B CA 4549 C C . PHE B 303 ? 0.7694 1.1402 1.0064 0.0989 -0.1505 0.1944 279 PHE B C 4550 O O . PHE B 303 ? 0.7752 1.1024 1.0225 0.1182 -0.1311 0.2036 279 PHE B O 4551 C CB . PHE B 303 ? 0.7597 1.2238 1.0776 0.0912 -0.1512 0.1960 279 PHE B CB 4552 C CG . PHE B 303 ? 0.7526 1.2400 1.0987 0.0718 -0.1438 0.1783 279 PHE B CG 4553 C CD1 . PHE B 303 ? 0.7546 1.2784 1.0881 0.0407 -0.1637 0.1628 279 PHE B CD1 4554 C CD2 . PHE B 303 ? 0.7446 1.2200 1.1322 0.0833 -0.1154 0.1756 279 PHE B CD2 4555 C CE1 . PHE B 303 ? 0.7478 1.2952 1.1096 0.0204 -0.1552 0.1493 279 PHE B CE1 4556 C CE2 . PHE B 303 ? 0.7380 1.2409 1.1505 0.0642 -0.1059 0.1601 279 PHE B CE2 4557 C CZ . PHE B 303 ? 0.7401 1.2790 1.1398 0.0322 -0.1256 0.1492 279 PHE B CZ 4558 N N . CYS B 304 ? 0.7757 1.1850 0.9837 0.0927 -0.1750 0.1998 280 CYS B N 4559 C CA . CYS B 304 ? 0.7825 1.1959 0.9739 0.1123 -0.1790 0.2257 280 CYS B CA 4560 C C . CYS B 304 ? 0.7858 1.2540 1.0319 0.1417 -0.1794 0.2698 280 CYS B C 4561 O O . CYS B 304 ? 0.7856 1.3092 1.0723 0.1423 -0.1871 0.2762 280 CYS B O 4562 C CB . CYS B 304 ? 0.8001 1.2442 0.9398 0.0953 -0.2041 0.2140 280 CYS B CB 4563 S SG . CYS B 304 ? 0.7436 1.1188 0.8256 0.0656 -0.2044 0.1643 280 CYS B SG 4564 N N . ASP B 305 ? 0.7902 1.2432 1.0418 0.1661 -0.1708 0.3018 281 ASP B N 4565 C CA . ASP B 305 ? 0.7966 1.2887 1.1071 0.1979 -0.1684 0.3492 281 ASP B CA 4566 C C . ASP B 305 ? 0.8081 1.3971 1.1302 0.2004 -0.1976 0.3740 281 ASP B C 4567 O O . ASP B 305 ? 0.8355 1.4546 1.1120 0.1939 -0.2143 0.3826 281 ASP B O 4568 C CB . ASP B 305 ? 0.8093 1.2679 1.1160 0.2186 -0.1569 0.3820 281 ASP B CB 4569 C CG . ASP B 305 ? 0.7920 1.1610 1.1005 0.2187 -0.1280 0.3598 281 ASP B CG 4570 O OD1 . ASP B 305 ? 0.7904 1.1328 1.1574 0.2398 -0.1072 0.3729 281 ASP B OD1 4571 O OD2 . ASP B 305 ? 0.7807 1.1077 1.0351 0.1981 -0.1266 0.3274 281 ASP B OD2 4572 N N . GLY B 306 ? 0.7944 1.4260 1.1732 0.2060 -0.1995 0.3769 282 GLY B N 4573 C CA . GLY B 306 ? 0.8111 1.5211 1.2002 0.2036 -0.2219 0.3894 282 GLY B CA 4574 C C . GLY B 306 ? 0.7956 1.5549 1.1490 0.1706 -0.2483 0.3574 282 GLY B C 4575 O O . GLY B 306 ? 0.8270 1.6374 1.1555 0.1611 -0.2692 0.3589 282 GLY B O 4576 N N . THR B 307 ? 0.7632 1.4821 1.1037 0.1464 -0.2396 0.3164 283 THR B N 4577 C CA . THR B 307 ? 0.7556 1.5036 1.0679 0.1099 -0.2593 0.2789 283 THR B CA 4578 C C . THR B 307 ? 0.7348 1.4872 1.0924 0.0961 -0.2483 0.2584 283 THR B C 4579 O O . THR B 307 ? 0.7203 1.4376 1.1170 0.1114 -0.2216 0.2632 283 THR B O 4580 C CB . THR B 307 ? 0.7511 1.4335 0.9933 0.0847 -0.2580 0.2413 283 THR B CB 4581 O OG1 . THR B 307 ? 0.7326 1.3263 0.9722 0.0899 -0.2284 0.2313 283 THR B OG1 4582 C CG2 . THR B 307 ? 0.7719 1.4698 0.9653 0.0915 -0.2722 0.2546 283 THR B CG2 4583 N N . THR B 308 ? 0.7346 1.5323 1.0877 0.0654 -0.2680 0.2338 284 THR B N 4584 C CA . THR B 308 ? 0.7219 1.5324 1.1169 0.0469 -0.2584 0.2151 284 THR B CA 4585 C C . THR B 308 ? 0.7413 1.5182 1.0946 0.0036 -0.2644 0.1722 284 THR B C 4586 O O . THR B 308 ? 0.7615 1.5689 1.0849 -0.0173 -0.2908 0.1562 284 THR B O 4587 C CB . THR B 308 ? 0.7159 1.6326 1.1722 0.0523 -0.2770 0.2337 284 THR B CB 4588 O OG1 . THR B 308 ? 0.7315 1.7105 1.1591 0.0386 -0.3128 0.2314 284 THR B OG1 4589 C CG2 . THR B 308 ? 0.7126 1.6567 1.2251 0.0976 -0.2676 0.2780 284 THR B CG2 4590 N N . VAL B 309 ? 0.7420 1.4563 1.0941 -0.0101 -0.2399 0.1536 285 VAL B N 4591 C CA . VAL B 309 ? 0.7634 1.4418 1.0845 -0.0508 -0.2439 0.1187 285 VAL B CA 4592 C C . VAL B 309 ? 0.7625 1.4644 1.1294 -0.0710 -0.2306 0.1118 285 VAL B C 4593 O O . VAL B 309 ? 0.7508 1.4527 1.1540 -0.0532 -0.2056 0.1247 285 VAL B O 4594 C CB . VAL B 309 ? 0.7731 1.3505 1.0406 -0.0541 -0.2288 0.1035 285 VAL B CB 4595 C CG1 . VAL B 309 ? 0.7950 1.3355 1.0321 -0.0942 -0.2380 0.0712 285 VAL B CG1 4596 C CG2 . VAL B 309 ? 0.6243 1.1813 0.8540 -0.0308 -0.2358 0.1135 285 VAL B CG2 4597 N N . VAL B 310 ? 0.7791 1.5035 1.1471 -0.1090 -0.2463 0.0899 286 VAL B N 4598 C CA . VAL B 310 ? 0.7847 1.5326 1.1944 -0.1342 -0.2333 0.0835 286 VAL B CA 4599 C C . VAL B 310 ? 0.8117 1.5069 1.1904 -0.1780 -0.2363 0.0564 286 VAL B C 4600 O O . VAL B 310 ? 0.6647 1.3111 0.9953 -0.1873 -0.2511 0.0399 286 VAL B O 4601 C CB . VAL B 310 ? 0.6357 1.4923 1.1066 -0.1380 -0.2502 0.0910 286 VAL B CB 4602 C CG1 . VAL B 310 ? 0.6200 1.5275 1.1366 -0.0932 -0.2426 0.1224 286 VAL B CG1 4603 C CG2 . VAL B 310 ? 0.6556 1.5515 1.1072 -0.1552 -0.2877 0.0765 286 VAL B CG2 4604 N N . VAL B 311 ? 0.8173 1.5231 1.2270 -0.2046 -0.2212 0.0531 287 VAL B N 4605 C CA . VAL B 311 ? 0.8379 1.4950 1.2274 -0.2479 -0.2228 0.0337 287 VAL B CA 4606 C C . VAL B 311 ? 0.8616 1.5879 1.2928 -0.2827 -0.2435 0.0207 287 VAL B C 4607 O O . VAL B 311 ? 0.8590 1.6531 1.3454 -0.2908 -0.2345 0.0292 287 VAL B O 4608 C CB . VAL B 311 ? 0.8288 1.4474 1.2198 -0.2592 -0.1900 0.0414 287 VAL B CB 4609 C CG1 . VAL B 311 ? 0.8519 1.3900 1.2028 -0.2932 -0.1915 0.0291 287 VAL B CG1 4610 C CG2 . VAL B 311 ? 0.8038 1.3924 1.1790 -0.2192 -0.1663 0.0556 287 VAL B CG2 4611 N N . THR B 312 ? 0.8895 1.6017 1.2977 -0.3036 -0.2708 -0.0028 288 THR B N 4612 C CA . THR B 312 ? 0.9173 1.6951 1.3647 -0.3387 -0.2936 -0.0211 288 THR B CA 4613 C C . THR B 312 ? 0.9499 1.6653 1.3725 -0.3778 -0.3077 -0.0517 288 THR B C 4614 O O . THR B 312 ? 0.9668 1.6287 1.3413 -0.3685 -0.3193 -0.0673 288 THR B O 4615 C CB . THR B 312 ? 0.9240 1.7899 1.3847 -0.3187 -0.3218 -0.0220 288 THR B CB 4616 O OG1 . THR B 312 ? 0.8974 1.8144 1.3860 -0.2783 -0.3091 0.0100 288 THR B OG1 4617 C CG2 . THR B 312 ? 0.9507 1.8962 1.4586 -0.3562 -0.3456 -0.0421 288 THR B CG2 4618 N N . GLU B 313 ? 0.9606 1.6832 1.4205 -0.4215 -0.3054 -0.0601 289 GLU B N 4619 C CA . GLU B 313 ? 0.9913 1.6523 1.4408 -0.4619 -0.3176 -0.0881 289 GLU B CA 4620 C C . GLU B 313 ? 1.0042 1.6875 1.4461 -0.4597 -0.3473 -0.1235 289 GLU B C 4621 O O . GLU B 313 ? 1.0401 1.6550 1.4593 -0.4715 -0.3561 -0.1524 289 GLU B O 4622 C CB . GLU B 313 ? 1.0209 1.6905 1.5199 -0.5066 -0.3054 -0.0845 289 GLU B CB 4623 C CG . GLU B 313 ? 1.0788 1.6605 1.5713 -0.5386 -0.3077 -0.1064 289 GLU B CG 4624 C CD . GLU B 313 ? 1.1112 1.7018 1.6544 -0.5768 -0.2918 -0.0979 289 GLU B CD 4625 O OE1 . GLU B 313 ? 1.0874 1.7428 1.6624 -0.5789 -0.2741 -0.0727 289 GLU B OE1 4626 O OE2 . GLU B 313 ? 1.1609 1.6956 1.7162 -0.6035 -0.2956 -0.1167 289 GLU B OE2 4627 N N . ASP B 314 ? 0.9790 1.7526 1.4394 -0.4379 -0.3600 -0.1200 290 ASP B N 4628 C CA . ASP B 314 ? 0.9986 1.7987 1.4466 -0.4296 -0.3861 -0.1489 290 ASP B CA 4629 C C . ASP B 314 ? 0.9833 1.7462 1.3681 -0.3999 -0.3944 -0.1567 290 ASP B C 4630 O O . ASP B 314 ? 1.0192 1.7730 1.3802 -0.3989 -0.4123 -0.1869 290 ASP B O 4631 C CB . ASP B 314 ? 0.9894 1.8973 1.4754 -0.4145 -0.3967 -0.1355 290 ASP B CB 4632 C CG . ASP B 314 ? 1.0291 1.9695 1.4984 -0.4081 -0.4243 -0.1613 290 ASP B CG 4633 O OD1 . ASP B 314 ? 1.0734 1.9648 1.5287 -0.4309 -0.4350 -0.1974 290 ASP B OD1 4634 O OD2 . ASP B 314 ? 1.0206 2.0343 1.4916 -0.3800 -0.4349 -0.1441 290 ASP B OD2 4635 N N . CYS B 315 ? 0.9341 1.6766 1.2932 -0.3765 -0.3806 -0.1294 291 CYS B N 4636 C CA . CYS B 315 ? 0.9215 1.6317 1.2234 -0.3469 -0.3852 -0.1321 291 CYS B CA 4637 C C . CYS B 315 ? 0.9549 1.5771 1.2221 -0.3618 -0.3894 -0.1695 291 CYS B C 4638 O O . CYS B 315 ? 0.9785 1.5453 1.2637 -0.3927 -0.3838 -0.1837 291 CYS B O 4639 C CB . CYS B 315 ? 0.8767 1.5556 1.1621 -0.3168 -0.3624 -0.0954 291 CYS B CB 4640 S SG . CYS B 315 ? 0.8181 1.4763 1.0437 -0.2723 -0.3643 -0.0880 291 CYS B SG 4641 N N . GLY B 316 ? 0.9611 1.5703 1.1819 -0.3382 -0.3977 -0.1833 292 GLY B N 4642 C CA . GLY B 316 ? 0.9169 1.4476 1.1086 -0.3464 -0.4014 -0.2201 292 GLY B CA 4643 C C . GLY B 316 ? 1.1833 1.6232 1.3643 -0.3540 -0.3851 -0.2154 292 GLY B C 4644 O O . GLY B 316 ? 1.1451 1.5792 1.3240 -0.3457 -0.3707 -0.1803 292 GLY B O 4645 N N . ASN B 317 ? 1.3017 1.5430 1.0504 -0.6410 -0.1392 0.0956 293 ASN B N 4646 C CA . ASN B 317 ? 1.3039 1.4866 1.0280 -0.6374 -0.1327 0.1039 293 ASN B CA 4647 C C . ASN B 317 ? 1.2612 1.4218 0.9776 -0.6113 -0.1320 0.1048 293 ASN B C 4648 O O . ASN B 317 ? 1.2319 1.4150 0.9587 -0.5987 -0.1378 0.0999 293 ASN B O 4649 C CB . ASN B 317 ? 1.3580 1.4714 1.0517 -0.6556 -0.1410 0.1006 293 ASN B CB 4650 C CG . ASN B 317 ? 1.3661 1.4299 1.0370 -0.6561 -0.1334 0.1121 293 ASN B CG 4651 O OD1 . ASN B 317 ? 1.3399 1.4336 1.0220 -0.6535 -0.1212 0.1225 293 ASN B OD1 4652 N ND2 . ASN B 317 ? 1.4033 1.3932 1.0417 -0.6582 -0.1416 0.1093 293 ASN B ND2 4653 N N . ARG B 318 ? 1.2535 1.3732 0.9530 -0.6039 -0.1251 0.1115 294 ARG B N 4654 C CA . ARG B 318 ? 1.2172 1.3143 0.9116 -0.5805 -0.1236 0.1119 294 ARG B CA 4655 C C . ARG B 318 ? 1.2249 1.2738 0.8940 -0.5758 -0.1365 0.1036 294 ARG B C 4656 O O . ARG B 318 ? 1.2742 1.2733 0.9148 -0.5880 -0.1450 0.0985 294 ARG B O 4657 C CB . ARG B 318 ? 1.2197 1.2865 0.9011 -0.5744 -0.1144 0.1189 294 ARG B CB 4658 C CG . ARG B 318 ? 1.2710 1.2838 0.9192 -0.5912 -0.1169 0.1224 294 ARG B CG 4659 C CD . ARG B 318 ? 1.2687 1.2582 0.9035 -0.5835 -0.1085 0.1300 294 ARG B CD 4660 N NE . ARG B 318 ? 1.2633 1.2016 0.8764 -0.5654 -0.1123 0.1263 294 ARG B NE 4661 C CZ . ARG B 318 ? 1.2275 1.1737 0.8501 -0.5466 -0.1053 0.1266 294 ARG B CZ 4662 N NH1 . ARG B 318 ? 1.2278 1.1275 0.8310 -0.5319 -0.1093 0.1229 294 ARG B NH1 4663 N NH2 . ARG B 318 ? 1.1947 1.1965 0.8476 -0.5429 -0.0948 0.1296 294 ARG B NH2 4664 N N . GLY B 319 ? 1.1753 1.2413 0.8567 -0.5583 -0.1384 0.1024 295 GLY B N 4665 C CA . GLY B 319 ? 1.1806 1.2102 0.8388 -0.5513 -0.1509 0.0944 295 GLY B CA 4666 C C . GLY B 319 ? 1.1377 1.1716 0.8083 -0.5186 -0.1429 0.0998 295 GLY B C 4667 O O . GLY B 319 ? 1.1137 1.1676 0.8083 -0.5100 -0.1304 0.1076 295 GLY B O 4668 N N . PRO B 320 ? 1.1324 1.1497 0.7887 -0.4958 -0.1486 0.0951 296 PRO B N 4669 C CA . PRO B 320 ? 1.0938 1.1135 0.7637 -0.4615 -0.1392 0.1019 296 PRO B CA 4670 C C . PRO B 320 ? 1.0408 1.1185 0.7571 -0.4497 -0.1277 0.1130 296 PRO B C 4671 O O . PRO B 320 ? 1.0351 1.1611 0.7696 -0.4586 -0.1300 0.1146 296 PRO B O 4672 C CB . PRO B 320 ? 1.1104 1.1287 0.7628 -0.4445 -0.1482 0.0968 296 PRO B CB 4673 C CG . PRO B 320 ? 1.1626 1.1453 0.7785 -0.4671 -0.1640 0.0818 296 PRO B CG 4674 C CD . PRO B 320 ? 1.1697 1.1696 0.7980 -0.5014 -0.1648 0.0823 296 PRO B CD 4675 N N . SER B 321 ? 1.0043 1.0772 0.7408 -0.4293 -0.1164 0.1190 297 SER B N 4676 C CA . SER B 321 ? 0.9592 1.0795 0.7419 -0.4165 -0.1062 0.1278 297 SER B CA 4677 C C . SER B 321 ? 0.9552 1.1122 0.7553 -0.3981 -0.1067 0.1370 297 SER B C 4678 O O . SER B 321 ? 0.9601 1.1011 0.7468 -0.3817 -0.1082 0.1401 297 SER B O 4679 C CB . SER B 321 ? 0.9278 1.0300 0.7296 -0.3987 -0.0960 0.1289 297 SER B CB 4680 O OG . SER B 321 ? 0.8947 1.0372 0.7406 -0.3906 -0.0877 0.1330 297 SER B OG 4681 N N . LEU B 322 ? 0.9503 1.1598 0.7790 -0.3993 -0.1053 0.1422 298 LEU B N 4682 C CA . LEU B 322 ? 0.9511 1.2002 0.7962 -0.3800 -0.1057 0.1536 298 LEU B CA 4683 C C . LEU B 322 ? 0.9240 1.1911 0.8141 -0.3552 -0.0934 0.1675 298 LEU B C 4684 O O . LEU B 322 ? 0.9115 1.1713 0.8238 -0.3557 -0.0865 0.1640 298 LEU B O 4685 C CB . LEU B 322 ? 0.9695 1.2684 0.8166 -0.3950 -0.1141 0.1501 298 LEU B CB 4686 C CG . LEU B 322 ? 1.0137 1.2978 0.8218 -0.4213 -0.1283 0.1352 298 LEU B CG 4687 C CD1 . LEU B 322 ? 1.0235 1.3653 0.8416 -0.4354 -0.1367 0.1311 298 LEU B CD1 4688 C CD2 . LEU B 322 ? 1.0358 1.2916 0.8123 -0.4080 -0.1351 0.1329 298 LEU B CD2 4689 N N . ARG B 323 ? 0.9170 1.2071 0.8203 -0.3326 -0.0911 0.1831 299 ARG B N 4690 C CA . ARG B 323 ? 0.7013 1.0076 0.6503 -0.3088 -0.0802 0.1995 299 ARG B CA 4691 C C . ARG B 323 ? 0.8074 1.1706 0.7776 -0.3029 -0.0825 0.2072 299 ARG B C 4692 O O . ARG B 323 ? 0.8220 1.2143 0.7702 -0.3085 -0.0918 0.2057 299 ARG B O 4693 C CB . ARG B 323 ? 0.7109 1.0030 0.6611 -0.2863 -0.0741 0.2169 299 ARG B CB 4694 C CG . ARG B 323 ? 0.6982 0.9941 0.6983 -0.2639 -0.0617 0.2359 299 ARG B CG 4695 C CD . ARG B 323 ? 0.6955 0.9820 0.6952 -0.2448 -0.0546 0.2564 299 ARG B CD 4696 N NE . ARG B 323 ? 0.8435 1.1670 0.8226 -0.2338 -0.0588 0.2706 299 ARG B NE 4697 C CZ . ARG B 323 ? 0.8648 1.1934 0.8355 -0.2158 -0.0534 0.2903 299 ARG B CZ 4698 N NH1 . ARG B 323 ? 0.8642 1.1627 0.8480 -0.2088 -0.0431 0.2986 299 ARG B NH1 4699 N NH2 . ARG B 323 ? 0.8859 1.2545 0.8355 -0.2041 -0.0584 0.3012 299 ARG B NH2 4700 N N . THR B 324 ? 0.7920 1.1722 0.8056 -0.2902 -0.0753 0.2134 300 THR B N 4701 C CA . THR B 324 ? 0.7930 1.2285 0.8298 -0.2804 -0.0773 0.2207 300 THR B CA 4702 C C . THR B 324 ? 0.8035 1.2664 0.8382 -0.2585 -0.0783 0.2426 300 THR B C 4703 O O . THR B 324 ? 0.8130 1.3269 0.8496 -0.2542 -0.0846 0.2455 300 THR B O 4704 C CB . THR B 324 ? 0.7790 1.2211 0.8644 -0.2656 -0.0695 0.2227 300 THR B CB 4705 O OG1 . THR B 324 ? 0.7787 1.1805 0.8868 -0.2488 -0.0602 0.2341 300 THR B OG1 4706 C CG2 . THR B 324 ? 0.7675 1.2071 0.8532 -0.2858 -0.0704 0.1999 300 THR B CG2 4707 N N . THR B 325 ? 0.8039 1.2379 0.8349 -0.2437 -0.0719 0.2583 301 THR B N 4708 C CA . THR B 325 ? 0.7076 1.1685 0.7342 -0.2204 -0.0708 0.2826 301 THR B CA 4709 C C . THR B 325 ? 0.8268 1.2811 0.8044 -0.2265 -0.0779 0.2773 301 THR B C 4710 O O . THR B 325 ? 0.8302 1.2408 0.7873 -0.2386 -0.0775 0.2655 301 THR B O 4711 C CB . THR B 325 ? 0.7454 1.1872 0.8086 -0.1955 -0.0565 0.3103 301 THR B CB 4712 O OG1 . THR B 325 ? 0.7052 1.1017 0.7557 -0.2001 -0.0509 0.3093 301 THR B OG1 4713 C CG2 . THR B 325 ? 0.7324 1.1662 0.8452 -0.1908 -0.0506 0.3091 301 THR B CG2 4714 N N . THR B 326 ? 0.8428 1.3424 0.8015 -0.2156 -0.0854 0.2844 302 THR B N 4715 C CA . THR B 326 ? 0.8660 1.3651 0.7779 -0.2176 -0.0941 0.2764 302 THR B CA 4716 C C . THR B 326 ? 0.8770 1.3730 0.7854 -0.1903 -0.0838 0.3030 302 THR B C 4717 O O . THR B 326 ? 0.8629 1.3559 0.8077 -0.1717 -0.0695 0.3302 302 THR B O 4718 C CB . THR B 326 ? 0.8816 1.4353 0.7707 -0.2208 -0.1101 0.2648 302 THR B CB 4719 O OG1 . THR B 326 ? 0.9106 1.4669 0.7572 -0.2149 -0.1182 0.2587 302 THR B OG1 4720 C CG2 . THR B 326 ? 0.8740 1.4845 0.7897 -0.1949 -0.1071 0.2885 302 THR B CG2 4721 N N . ALA B 327 ? 0.9082 1.4061 0.7739 -0.1878 -0.0912 0.2948 303 ALA B N 4722 C CA . ALA B 327 ? 0.9321 1.4339 0.7892 -0.1620 -0.0813 0.3189 303 ALA B CA 4723 C C . ALA B 327 ? 0.9561 1.5116 0.8311 -0.1317 -0.0744 0.3535 303 ALA B C 4724 O O . ALA B 327 ? 0.9593 1.5179 0.8455 -0.1092 -0.0600 0.3850 303 ALA B O 4725 C CB . ALA B 327 ? 0.9573 1.4576 0.7618 -0.1632 -0.0932 0.2984 303 ALA B CB 4726 N N . SER B 328 ? 0.9736 1.5734 0.8516 -0.1311 -0.0846 0.3490 304 SER B N 4727 C CA . SER B 328 ? 0.9962 1.6489 0.8905 -0.1005 -0.0794 0.3818 304 SER B CA 4728 C C . SER B 328 ? 0.9834 1.6208 0.9326 -0.0940 -0.0658 0.4051 304 SER B C 4729 O O . SER B 328 ? 0.9938 1.6469 0.9659 -0.0665 -0.0534 0.4432 304 SER B O 4730 C CB . SER B 328 ? 1.0181 1.7306 0.8929 -0.0999 -0.0976 0.3653 304 SER B CB 4731 O OG . SER B 328 ? 1.0038 1.7174 0.9028 -0.1206 -0.1037 0.3471 304 SER B OG 4732 N N . GLY B 329 ? 0.9683 1.5749 0.9385 -0.1184 -0.0682 0.3823 305 GLY B N 4733 C CA . GLY B 329 ? 0.9645 1.5537 0.9869 -0.1126 -0.0573 0.3973 305 GLY B CA 4734 C C . GLY B 329 ? 0.9759 1.5923 1.0164 -0.1206 -0.0663 0.3805 305 GLY B C 4735 O O . GLY B 329 ? 0.9622 1.5689 1.0458 -0.1130 -0.0594 0.3893 305 GLY B O 4736 N N . LYS B 330 ? 0.9997 1.6514 1.0093 -0.1359 -0.0821 0.3551 306 LYS B N 4737 C CA . LYS B 330 ? 1.0037 1.6890 1.0298 -0.1464 -0.0907 0.3374 306 LYS B CA 4738 C C . LYS B 330 ? 0.9852 1.6284 1.0293 -0.1725 -0.0878 0.3151 306 LYS B C 4739 O O . LYS B 330 ? 0.9768 1.5706 1.0050 -0.1908 -0.0855 0.3029 306 LYS B O 4740 C CB . LYS B 330 ? 1.0161 1.7502 1.0073 -0.1605 -0.1086 0.3143 306 LYS B CB 4741 C CG . LYS B 330 ? 1.0354 1.8223 1.0059 -0.1330 -0.1142 0.3315 306 LYS B CG 4742 C CD . LYS B 330 ? 1.0446 1.8963 1.0004 -0.1428 -0.1328 0.3084 306 LYS B CD 4743 C CE . LYS B 330 ? 1.0530 1.8851 0.9808 -0.1834 -0.1456 0.2699 306 LYS B CE 4744 N NZ . LYS B 330 ? 1.0816 1.8833 0.9685 -0.1846 -0.1489 0.2644 306 LYS B NZ 4745 N N . LEU B 331 ? 0.9773 1.6437 1.0536 -0.1715 -0.0882 0.3096 307 LEU B N 4746 C CA . LEU B 331 ? 0.9541 1.5908 1.0485 -0.1923 -0.0852 0.2888 307 LEU B CA 4747 C C . LEU B 331 ? 0.9373 1.6106 1.0195 -0.2197 -0.0963 0.2612 307 LEU B C 4748 O O . LEU B 331 ? 0.9363 1.6684 1.0303 -0.2124 -0.1024 0.2606 307 LEU B O 4749 C CB . LEU B 331 ? 0.9508 1.5825 1.0958 -0.1695 -0.0759 0.3013 307 LEU B CB 4750 C CG . LEU B 331 ? 0.6771 1.2918 0.8447 -0.1843 -0.0738 0.2783 307 LEU B CG 4751 C CD1 . LEU B 331 ? 0.6693 1.2234 0.8229 -0.2042 -0.0692 0.2662 307 LEU B CD1 4752 C CD2 . LEU B 331 ? 0.6752 1.2909 0.8939 -0.1567 -0.0674 0.2887 307 LEU B CD2 4753 N N . ILE B 332 ? 0.9292 1.5689 0.9890 -0.2512 -0.0985 0.2398 308 ILE B N 4754 C CA . ILE B 332 ? 0.9350 1.6046 0.9836 -0.2817 -0.1074 0.2163 308 ILE B CA 4755 C C . ILE B 332 ? 0.9141 1.5981 0.9961 -0.2848 -0.1017 0.2077 308 ILE B C 4756 O O . ILE B 332 ? 0.9095 1.5514 0.9945 -0.2951 -0.0951 0.1995 308 ILE B O 4757 C CB . ILE B 332 ? 0.9592 1.5839 0.9687 -0.3140 -0.1121 0.1995 308 ILE B CB 4758 C CG1 . ILE B 332 ? 0.9868 1.5941 0.9628 -0.3067 -0.1177 0.2055 308 ILE B CG1 4759 C CG2 . ILE B 332 ? 0.9699 1.6261 0.9696 -0.3481 -0.1212 0.1789 308 ILE B CG2 4760 C CD1 . ILE B 332 ? 1.0062 1.6737 0.9722 -0.2997 -0.1296 0.2061 308 ILE B CD1 4761 N N . THR B 333 ? 0.9039 1.6514 1.0100 -0.2738 -0.1049 0.2083 309 THR B N 4762 C CA . THR B 333 ? 0.8859 1.6558 1.0266 -0.2691 -0.0996 0.2005 309 THR B CA 4763 C C . THR B 333 ? 0.8890 1.6832 1.0209 -0.3047 -0.1022 0.1787 309 THR B C 4764 O O . THR B 333 ? 0.8783 1.6816 1.0315 -0.3052 -0.0962 0.1694 309 THR B O 4765 C CB . THR B 333 ? 0.8775 1.7078 1.0504 -0.2376 -0.1014 0.2109 309 THR B CB 4766 O OG1 . THR B 333 ? 0.8880 1.7803 1.0464 -0.2467 -0.1128 0.2072 309 THR B OG1 4767 C CG2 . THR B 333 ? 0.8786 1.6812 1.0661 -0.2009 -0.0962 0.2369 309 THR B CG2 4768 N N . GLU B 334 ? 0.9100 1.7156 1.0115 -0.3342 -0.1112 0.1705 310 GLU B N 4769 C CA . GLU B 334 ? 0.9189 1.7506 1.0144 -0.3711 -0.1134 0.1536 310 GLU B CA 4770 C C . GLU B 334 ? 0.9292 1.6986 0.9891 -0.4037 -0.1135 0.1461 310 GLU B C 4771 O O . GLU B 334 ? 0.9451 1.6893 0.9752 -0.4159 -0.1218 0.1449 310 GLU B O 4772 C CB . GLU B 334 ? 0.9408 1.8465 1.0385 -0.3833 -0.1248 0.1475 310 GLU B CB 4773 C CG . GLU B 334 ? 0.9433 1.9208 1.0779 -0.3530 -0.1247 0.1523 310 GLU B CG 4774 C CD . GLU B 334 ? 0.9662 2.0085 1.0996 -0.3494 -0.1379 0.1518 310 GLU B CD 4775 O OE1 . GLU B 334 ? 0.9865 2.0142 1.0905 -0.3666 -0.1476 0.1477 310 GLU B OE1 4776 O OE2 . GLU B 334 ? 0.9632 2.0732 1.1252 -0.3272 -0.1396 0.1538 310 GLU B OE2 4777 N N . TRP B 335 ? 0.9195 1.6661 0.9822 -0.4151 -0.1046 0.1405 311 TRP B N 4778 C CA . TRP B 335 ? 0.9284 1.6142 0.9583 -0.4427 -0.1035 0.1353 311 TRP B CA 4779 C C . TRP B 335 ? 0.9241 1.6343 0.9538 -0.4746 -0.0998 0.1271 311 TRP B C 4780 O O . TRP B 335 ? 0.9113 1.6847 0.9695 -0.4714 -0.0959 0.1244 311 TRP B O 4781 C CB . TRP B 335 ? 0.9232 1.5464 0.9516 -0.4221 -0.0951 0.1393 311 TRP B CB 4782 C CG . TRP B 335 ? 0.9247 1.5194 0.9526 -0.3944 -0.0965 0.1504 311 TRP B CG 4783 C CD1 . TRP B 335 ? 0.9127 1.5326 0.9707 -0.3613 -0.0943 0.1614 311 TRP B CD1 4784 C CD2 . TRP B 335 ? 0.9397 1.4766 0.9355 -0.3964 -0.0996 0.1534 311 TRP B CD2 4785 N NE1 . TRP B 335 ? 0.9194 1.5025 0.9665 -0.3441 -0.0946 0.1736 311 TRP B NE1 4786 C CE2 . TRP B 335 ? 0.9340 1.4685 0.9429 -0.3647 -0.0979 0.1677 311 TRP B CE2 4787 C CE3 . TRP B 335 ? 0.9607 1.4478 0.9180 -0.4207 -0.1036 0.1461 311 TRP B CE3 4788 C CZ2 . TRP B 335 ? 0.9445 1.4350 0.9293 -0.3568 -0.0992 0.1743 311 TRP B CZ2 4789 C CZ3 . TRP B 335 ? 0.9713 1.4121 0.9044 -0.4110 -0.1064 0.1501 311 TRP B CZ3 4790 C CH2 . TRP B 335 ? 0.9608 1.4067 0.9078 -0.3796 -0.1038 0.1638 311 TRP B CH2 4791 N N . CYS B 336 ? 0.9395 1.5957 0.9349 -0.5005 -0.0996 0.1241 312 CYS B N 4792 C CA . CYS B 336 ? 0.9539 1.6086 0.9351 -0.5187 -0.0924 0.1193 312 CYS B CA 4793 C C . CYS B 336 ? 0.9640 1.5418 0.9078 -0.5313 -0.0893 0.1198 312 CYS B C 4794 O O . CYS B 336 ? 0.9640 1.4869 0.8899 -0.5268 -0.0935 0.1214 312 CYS B O 4795 C CB . CYS B 336 ? 0.9850 1.6716 0.9599 -0.5385 -0.0982 0.1148 312 CYS B CB 4796 S SG . CYS B 336 ? 0.8825 1.5275 0.8277 -0.5525 -0.1135 0.1108 312 CYS B SG 4797 N N . CYS B 337 ? 0.9706 1.5493 0.9032 -0.5466 -0.0822 0.1195 313 CYS B N 4798 C CA . CYS B 337 ? 0.9854 1.4978 0.8812 -0.5607 -0.0804 0.1220 313 CYS B CA 4799 C C . CYS B 337 ? 1.0061 1.5356 0.8928 -0.5850 -0.0762 0.1245 313 CYS B C 4800 O O . CYS B 337 ? 0.8448 1.4409 0.7558 -0.5863 -0.0708 0.1242 313 CYS B O 4801 C CB . CYS B 337 ? 0.7983 1.2892 0.6952 -0.5451 -0.0724 0.1232 313 CYS B CB 4802 S SG . CYS B 337 ? 1.2549 1.8205 1.1854 -0.5361 -0.0600 0.1216 313 CYS B SG 4803 N N . ARG B 338 ? 1.0309 1.5013 0.8840 -0.6038 -0.0790 0.1278 314 ARG B N 4804 C CA . ARG B 338 ? 1.0511 1.5306 0.8961 -0.6293 -0.0752 0.1334 314 ARG B CA 4805 C C . ARG B 338 ? 1.0323 1.5358 0.8804 -0.6268 -0.0627 0.1406 314 ARG B C 4806 O O . ARG B 338 ? 1.0238 1.5902 0.8910 -0.6340 -0.0558 0.1430 314 ARG B O 4807 C CB . ARG B 338 ? 1.0966 1.5010 0.9069 -0.6485 -0.0822 0.1359 314 ARG B CB 4808 C CG . ARG B 338 ? 1.1105 1.4911 0.9151 -0.6541 -0.0954 0.1269 314 ARG B CG 4809 C CD . ARG B 338 ? 1.1704 1.4898 0.9481 -0.6784 -0.1017 0.1284 314 ARG B CD 4810 N NE . ARG B 338 ? 1.1932 1.4867 0.9640 -0.6832 -0.1156 0.1167 314 ARG B NE 4811 C CZ . ARG B 338 ? 1.2523 1.5030 1.0088 -0.7058 -0.1240 0.1131 314 ARG B CZ 4812 N NH1 . ARG B 338 ? 1.2957 1.5234 1.0443 -0.7266 -0.1192 0.1232 314 ARG B NH1 4813 N NH2 . ARG B 338 ? 1.2685 1.5012 1.0206 -0.7076 -0.1378 0.0991 314 ARG B NH2 4814 N N . SER B 339 ? 1.0269 1.4840 0.8561 -0.6163 -0.0599 0.1433 315 SER B N 4815 C CA . SER B 339 ? 1.0220 1.4980 0.8488 -0.6155 -0.0486 0.1502 315 SER B CA 4816 C C . SER B 339 ? 0.9772 1.4575 0.8143 -0.5896 -0.0438 0.1446 315 SER B C 4817 O O . SER B 339 ? 0.9677 1.4651 0.8020 -0.5870 -0.0345 0.1483 315 SER B O 4818 C CB . SER B 339 ? 1.0686 1.4849 0.8590 -0.6337 -0.0485 0.1614 315 SER B CB 4819 O OG . SER B 339 ? 1.0665 1.4119 0.8317 -0.6222 -0.0536 0.1594 315 SER B OG 4820 N N . CYS B 340 ? 0.9535 1.4215 0.8043 -0.5712 -0.0499 0.1361 316 CYS B N 4821 C CA . CYS B 340 ? 0.9276 1.3974 0.7945 -0.5480 -0.0463 0.1299 316 CYS B CA 4822 C C . CYS B 340 ? 0.9118 1.4630 0.8148 -0.5380 -0.0369 0.1249 316 CYS B C 4823 O O . CYS B 340 ? 0.9233 1.5310 0.8397 -0.5460 -0.0339 0.1264 316 CYS B O 4824 C CB . CYS B 340 ? 0.9014 1.3508 0.7829 -0.5313 -0.0545 0.1241 316 CYS B CB 4825 S SG . CYS B 340 ? 1.2413 1.7709 1.1765 -0.5140 -0.0542 0.1181 316 CYS B SG 4826 N N . THR B 341 ? 0.8824 1.4430 0.8031 -0.5201 -0.0327 0.1172 317 THR B N 4827 C CA . THR B 341 ? 0.8636 1.4938 0.8168 -0.4980 -0.0257 0.1062 317 THR B CA 4828 C C . THR B 341 ? 0.8273 1.4586 0.8169 -0.4599 -0.0305 0.0914 317 THR B C 4829 O O . THR B 341 ? 0.6951 1.2668 0.6801 -0.4452 -0.0357 0.0884 317 THR B O 4830 C CB . THR B 341 ? 0.8868 1.5197 0.8222 -0.4906 -0.0172 0.1033 317 THR B CB 4831 O OG1 . THR B 341 ? 0.9040 1.4620 0.8153 -0.4784 -0.0213 0.1003 317 THR B OG1 4832 C CG2 . THR B 341 ? 0.9182 1.5715 0.8263 -0.5273 -0.0093 0.1217 317 THR B CG2 4833 N N . LEU B 342 ? 0.8054 1.5051 0.8323 -0.4441 -0.0285 0.0831 318 LEU B N 4834 C CA . LEU B 342 ? 0.7791 1.4812 0.8444 -0.4082 -0.0330 0.0713 318 LEU B CA 4835 C C . LEU B 342 ? 0.7689 1.4767 0.8520 -0.3764 -0.0299 0.0517 318 LEU B C 4836 O O . LEU B 342 ? 0.7741 1.5218 0.8497 -0.3781 -0.0233 0.0455 318 LEU B O 4837 C CB . LEU B 342 ? 0.7644 1.5347 0.8617 -0.4043 -0.0345 0.0719 318 LEU B CB 4838 C CG . LEU B 342 ? 0.7708 1.5509 0.8553 -0.4355 -0.0390 0.0871 318 LEU B CG 4839 C CD1 . LEU B 342 ? 0.7572 1.6173 0.8747 -0.4294 -0.0404 0.0853 318 LEU B CD1 4840 C CD2 . LEU B 342 ? 0.7688 1.4811 0.8398 -0.4349 -0.0471 0.0947 318 LEU B CD2 4841 N N . PRO B 343 ? 0.7575 1.4276 0.8654 -0.3472 -0.0348 0.0417 319 PRO B N 4842 C CA . PRO B 343 ? 0.7420 1.3666 0.8619 -0.3397 -0.0409 0.0502 319 PRO B CA 4843 C C . PRO B 343 ? 0.7536 1.3137 0.8342 -0.3616 -0.0433 0.0641 319 PRO B C 4844 O O . PRO B 343 ? 0.7642 1.2924 0.8154 -0.3704 -0.0415 0.0618 319 PRO B O 4845 C CB . PRO B 343 ? 0.7305 1.3321 0.8858 -0.3048 -0.0427 0.0333 319 PRO B CB 4846 C CG . PRO B 343 ? 0.7318 1.3871 0.9048 -0.2890 -0.0398 0.0129 319 PRO B CG 4847 C CD . PRO B 343 ? 0.7489 1.4293 0.8810 -0.3162 -0.0339 0.0183 319 PRO B CD 4848 N N . PRO B 344 ? 0.7480 1.2912 0.8271 -0.3676 -0.0480 0.0778 320 PRO B N 4849 C CA . PRO B 344 ? 0.7586 1.2483 0.7991 -0.3886 -0.0516 0.0897 320 PRO B CA 4850 C C . PRO B 344 ? 0.7442 1.1699 0.7780 -0.3747 -0.0524 0.0866 320 PRO B C 4851 O O . PRO B 344 ? 0.7260 1.1449 0.7935 -0.3482 -0.0516 0.0791 320 PRO B O 4852 C CB . PRO B 344 ? 0.7645 1.2680 0.8142 -0.3895 -0.0568 0.1013 320 PRO B CB 4853 C CG . PRO B 344 ? 0.7496 1.2860 0.8464 -0.3586 -0.0556 0.0973 320 PRO B CG 4854 C CD . PRO B 344 ? 0.7419 1.3193 0.8553 -0.3518 -0.0507 0.0822 320 PRO B CD 4855 N N . LEU B 345 ? 0.7581 1.1373 0.7500 -0.3931 -0.0545 0.0920 321 LEU B N 4856 C CA . LEU B 345 ? 0.7582 1.0787 0.7394 -0.3819 -0.0560 0.0899 321 LEU B CA 4857 C C . LEU B 345 ? 0.7497 1.0541 0.7480 -0.3688 -0.0587 0.0990 321 LEU B C 4858 O O . LEU B 345 ? 0.7538 1.0509 0.7310 -0.3818 -0.0631 0.1098 321 LEU B O 4859 C CB . LEU B 345 ? 0.7877 1.0649 0.7169 -0.4044 -0.0585 0.0945 321 LEU B CB 4860 C CG . LEU B 345 ? 0.7966 1.0195 0.7046 -0.3953 -0.0594 0.0890 321 LEU B CG 4861 C CD1 . LEU B 345 ? 0.8286 1.0178 0.6848 -0.4186 -0.0618 0.0948 321 LEU B CD1 4862 C CD2 . LEU B 345 ? 0.7903 0.9792 0.7071 -0.3803 -0.0623 0.0921 321 LEU B CD2 4863 N N . ARG B 346 ? 0.7413 1.0414 0.7786 -0.3431 -0.0563 0.0947 322 ARG B N 4864 C CA . ARG B 346 ? 0.7417 1.0275 0.7978 -0.3292 -0.0567 0.1074 322 ARG B CA 4865 C C . ARG B 346 ? 0.7409 0.9797 0.8016 -0.3169 -0.0553 0.1057 322 ARG B C 4866 O O . ARG B 346 ? 0.7357 0.9604 0.8038 -0.3108 -0.0541 0.0906 322 ARG B O 4867 C CB . ARG B 346 ? 0.7304 1.0541 0.8357 -0.3095 -0.0547 0.1105 322 ARG B CB 4868 C CG . ARG B 346 ? 0.7186 1.0334 0.8693 -0.2863 -0.0516 0.0988 322 ARG B CG 4869 C CD . ARG B 346 ? 0.7115 1.0546 0.9103 -0.2653 -0.0505 0.1049 322 ARG B CD 4870 N NE . ARG B 346 ? 0.7097 1.0422 0.9556 -0.2441 -0.0491 0.0902 322 ARG B NE 4871 C CZ . ARG B 346 ? 0.7161 1.0600 1.0104 -0.2223 -0.0485 0.0934 322 ARG B CZ 4872 N NH1 . ARG B 346 ? 0.7248 1.0943 1.0248 -0.2168 -0.0485 0.1127 322 ARG B NH1 4873 N NH2 . ARG B 346 ? 0.7163 1.0454 1.0541 -0.2050 -0.0488 0.0764 322 ARG B NH2 4874 N N . TYR B 347 ? 0.7524 0.9724 0.8091 -0.3127 -0.0555 0.1210 323 TYR B N 4875 C CA . TYR B 347 ? 0.7663 0.9487 0.8312 -0.3011 -0.0530 0.1226 323 TYR B CA 4876 C C . TYR B 347 ? 0.7883 0.9778 0.9003 -0.2815 -0.0480 0.1373 323 TYR B C 4877 O O . TYR B 347 ? 0.7931 0.9960 0.9011 -0.2792 -0.0477 0.1560 323 TYR B O 4878 C CB . TYR B 347 ? 0.7685 0.9214 0.7857 -0.3112 -0.0565 0.1295 323 TYR B CB 4879 C CG . TYR B 347 ? 0.7733 0.9092 0.7414 -0.3309 -0.0619 0.1189 323 TYR B CG 4880 C CD1 . TYR B 347 ? 0.7739 0.8758 0.7234 -0.3302 -0.0626 0.1076 323 TYR B CD1 4881 C CD2 . TYR B 347 ? 0.7821 0.9361 0.7235 -0.3504 -0.0664 0.1212 323 TYR B CD2 4882 C CE1 . TYR B 347 ? 0.7924 0.8749 0.6960 -0.3469 -0.0672 0.1015 323 TYR B CE1 4883 C CE2 . TYR B 347 ? 0.7992 0.9333 0.6982 -0.3704 -0.0707 0.1147 323 TYR B CE2 4884 C CZ . TYR B 347 ? 0.8042 0.9006 0.6832 -0.3677 -0.0708 0.1062 323 TYR B CZ 4885 O OH . TYR B 347 ? 0.8263 0.8992 0.6621 -0.3861 -0.0747 0.1030 323 TYR B OH 4886 N N . ARG B 348 ? 0.8104 0.9913 0.9678 -0.2673 -0.0444 0.1294 324 ARG B N 4887 C CA . ARG B 348 ? 0.8397 1.0183 1.0442 -0.2502 -0.0387 0.1464 324 ARG B CA 4888 C C . ARG B 348 ? 0.8814 1.0282 1.0845 -0.2479 -0.0347 0.1552 324 ARG B C 4889 O O . ARG B 348 ? 0.8795 1.0046 1.0931 -0.2473 -0.0347 0.1392 324 ARG B O 4890 C CB . ARG B 348 ? 0.8263 1.0113 1.0884 -0.2360 -0.0376 0.1334 324 ARG B CB 4891 C CG . ARG B 348 ? 0.8188 1.0423 1.0893 -0.2328 -0.0406 0.1274 324 ARG B CG 4892 C CD . ARG B 348 ? 0.8131 1.0409 1.1457 -0.2131 -0.0399 0.1180 324 ARG B CD 4893 N NE . ARG B 348 ? 0.8094 1.0168 1.1638 -0.2101 -0.0418 0.0912 324 ARG B NE 4894 C CZ . ARG B 348 ? 0.8118 1.0199 1.2186 -0.1941 -0.0438 0.0731 324 ARG B CZ 4895 N NH1 . ARG B 348 ? 0.8110 1.0037 1.2347 -0.1918 -0.0470 0.0458 324 ARG B NH1 4896 N NH2 . ARG B 348 ? 0.8153 1.0403 1.2579 -0.1789 -0.0438 0.0804 324 ARG B NH2 4897 N N . GLY B 349 ? 0.9272 1.0764 1.1167 -0.2453 -0.0315 0.1800 325 GLY B N 4898 C CA . GLY B 349 ? 0.9704 1.0975 1.1555 -0.2421 -0.0267 0.1906 325 GLY B CA 4899 C C . GLY B 349 ? 1.0061 1.1387 1.2323 -0.2277 -0.0171 0.2198 325 GLY B C 4900 O O . GLY B 349 ? 1.0068 1.1444 1.2843 -0.2182 -0.0134 0.2258 325 GLY B O 4901 N N . GLU B 350 ? 1.0405 1.1720 1.2433 -0.2250 -0.0130 0.2385 326 GLU B N 4902 C CA . GLU B 350 ? 1.0684 1.2079 1.3045 -0.2114 -0.0020 0.2712 326 GLU B CA 4903 C C . GLU B 350 ? 1.0783 1.2492 1.2997 -0.2033 -0.0022 0.2944 326 GLU B C 4904 O O . GLU B 350 ? 1.0794 1.2617 1.3417 -0.1908 0.0040 0.3165 326 GLU B O 4905 C CB . GLU B 350 ? 1.0954 1.2262 1.3124 -0.2102 0.0034 0.2798 326 GLU B CB 4906 C CG . GLU B 350 ? 1.1235 1.2650 1.3762 -0.1972 0.0173 0.3164 326 GLU B CG 4907 C CD . GLU B 350 ? 1.1351 1.2587 1.4590 -0.1961 0.0256 0.3195 326 GLU B CD 4908 O OE1 . GLU B 350 ? 1.1286 1.2323 1.4691 -0.2043 0.0196 0.2888 326 GLU B OE1 4909 O OE2 . GLU B 350 ? 1.1512 1.2812 1.5151 -0.1870 0.0379 0.3527 326 GLU B OE2 4910 N N . ASP B 351 ? 1.0858 1.2703 1.2495 -0.2097 -0.0102 0.2884 327 ASP B N 4911 C CA . ASP B 351 ? 1.0954 1.3152 1.2400 -0.2023 -0.0128 0.3060 327 ASP B CA 4912 C C . ASP B 351 ? 1.0789 1.3188 1.2327 -0.2058 -0.0198 0.2955 327 ASP B C 4913 O O . ASP B 351 ? 1.0932 1.3673 1.2320 -0.2004 -0.0238 0.3061 327 ASP B O 4914 C CB . ASP B 351 ? 1.1115 1.3396 1.1935 -0.2076 -0.0204 0.3007 327 ASP B CB 4915 C CG . ASP B 351 ? 1.1076 1.3078 1.1530 -0.2268 -0.0299 0.2684 327 ASP B CG 4916 O OD1 . ASP B 351 ? 1.0962 1.2803 1.1596 -0.2366 -0.0316 0.2501 327 ASP B OD1 4917 O OD2 . ASP B 351 ? 1.1172 1.3119 1.1151 -0.2306 -0.0360 0.2614 327 ASP B OD2 4918 N N . GLY B 352 ? 1.0448 1.2687 1.2231 -0.2133 -0.0216 0.2737 328 GLY B N 4919 C CA . GLY B 352 ? 1.0185 1.2657 1.2108 -0.2142 -0.0269 0.2633 328 GLY B CA 4920 C C . GLY B 352 ? 0.9942 1.2380 1.1599 -0.2338 -0.0352 0.2320 328 GLY B C 4921 O O . GLY B 352 ? 0.9978 1.2125 1.1445 -0.2447 -0.0362 0.2164 328 GLY B O 4922 N N . CYS B 353 ? 0.9648 1.2417 1.1292 -0.2376 -0.0406 0.2246 329 CYS B N 4923 C CA . CYS B 353 ? 0.9284 1.2092 1.0731 -0.2560 -0.0465 0.1985 329 CYS B CA 4924 C C . CYS B 353 ? 0.9058 1.1912 0.9946 -0.2773 -0.0541 0.1929 329 CYS B C 4925 O O . CYS B 353 ? 0.9122 1.2198 0.9827 -0.2769 -0.0578 0.2051 329 CYS B O 4926 C CB . CYS B 353 ? 0.9230 1.2417 1.0980 -0.2497 -0.0478 0.1920 329 CYS B CB 4927 S SG . CYS B 353 ? 1.6876 2.0160 1.8504 -0.2676 -0.0514 0.1618 329 CYS B SG 4928 N N . TRP B 354 ? 0.8764 1.1402 0.9390 -0.2952 -0.0570 0.1741 330 TRP B N 4929 C CA . TRP B 354 ? 0.8604 1.1185 0.8722 -0.3180 -0.0647 0.1670 330 TRP B CA 4930 C C . TRP B 354 ? 0.8482 1.1225 0.8534 -0.3365 -0.0669 0.1515 330 TRP B C 4931 O O . TRP B 354 ? 0.8385 1.1238 0.8736 -0.3292 -0.0625 0.1435 330 TRP B O 4932 C CB . TRP B 354 ? 0.8437 1.0526 0.8244 -0.3217 -0.0654 0.1626 330 TRP B CB 4933 C CG . TRP B 354 ? 0.8192 1.0169 0.8007 -0.3055 -0.0626 0.1780 330 TRP B CG 4934 C CD1 . TRP B 354 ? 0.7968 0.9962 0.8192 -0.2845 -0.0540 0.1921 330 TRP B CD1 4935 C CD2 . TRP B 354 ? 0.8225 1.0071 0.7628 -0.3083 -0.0682 0.1812 330 TRP B CD2 4936 N NE1 . TRP B 354 ? 0.7999 0.9924 0.8084 -0.2746 -0.0522 0.2069 330 TRP B NE1 4937 C CE2 . TRP B 354 ? 0.8152 1.0000 0.7721 -0.2874 -0.0613 0.1988 330 TRP B CE2 4938 C CE3 . TRP B 354 ? 0.8355 1.0078 0.7276 -0.3263 -0.0786 0.1705 330 TRP B CE3 4939 C CZ2 . TRP B 354 ? 0.8272 1.0063 0.7516 -0.2816 -0.0642 0.2050 330 TRP B CZ2 4940 C CZ3 . TRP B 354 ? 0.8506 1.0120 0.7116 -0.3204 -0.0832 0.1737 330 TRP B CZ3 4941 C CH2 . TRP B 354 ? 0.8457 1.0135 0.7216 -0.2971 -0.0759 0.1904 330 TRP B CH2 4942 N N . TYR B 355 ? 0.8532 1.1300 0.8205 -0.3602 -0.0738 0.1471 331 TYR B N 4943 C CA . TYR B 355 ? 0.8521 1.1452 0.8108 -0.3811 -0.0745 0.1362 331 TYR B CA 4944 C C . TYR B 355 ? 0.8686 1.1175 0.7824 -0.4022 -0.0781 0.1295 331 TYR B C 4945 O O . TYR B 355 ? 0.8794 1.0891 0.7659 -0.4017 -0.0824 0.1313 331 TYR B O 4946 C CB . TYR B 355 ? 0.8606 1.2079 0.8245 -0.3936 -0.0787 0.1385 331 TYR B CB 4947 C CG . TYR B 355 ? 0.8465 1.2442 0.8562 -0.3752 -0.0740 0.1401 331 TYR B CG 4948 C CD1 . TYR B 355 ? 0.8388 1.2400 0.8742 -0.3640 -0.0674 0.1313 331 TYR B CD1 4949 C CD2 . TYR B 355 ? 0.8450 1.2873 0.8717 -0.3662 -0.0772 0.1488 331 TYR B CD2 4950 C CE1 . TYR B 355 ? 0.8258 1.2701 0.9033 -0.3448 -0.0644 0.1301 331 TYR B CE1 4951 C CE2 . TYR B 355 ? 0.8323 1.3181 0.9003 -0.3465 -0.0737 0.1502 331 TYR B CE2 4952 C CZ . TYR B 355 ? 0.8241 1.3089 0.9178 -0.3359 -0.0674 0.1404 331 TYR B CZ 4953 O OH . TYR B 355 ? 0.8152 1.3408 0.9505 -0.3139 -0.0651 0.1391 331 TYR B OH 4954 N N . GLY B 356 ? 0.8759 1.1321 0.7815 -0.4189 -0.0762 0.1226 332 GLY B N 4955 C CA . GLY B 356 ? 0.9050 1.1180 0.7684 -0.4383 -0.0789 0.1191 332 GLY B CA 4956 C C . GLY B 356 ? 0.9360 1.1321 0.7650 -0.4618 -0.0884 0.1218 332 GLY B C 4957 O O . GLY B 356 ? 0.9344 1.1625 0.7728 -0.4654 -0.0932 0.1246 332 GLY B O 4958 N N . MET B 357 ? 0.9658 1.1113 0.7554 -0.4763 -0.0921 0.1197 333 MET B N 4959 C CA . MET B 357 ? 1.0072 1.1265 0.7633 -0.4993 -0.1029 0.1189 333 MET B CA 4960 C C . MET B 357 ? 1.0277 1.1861 0.7891 -0.5212 -0.1038 0.1195 333 MET B C 4961 O O . MET B 357 ? 1.0545 1.2176 0.8071 -0.5336 -0.1129 0.1167 333 MET B O 4962 C CB . MET B 357 ? 1.0445 1.0971 0.7585 -0.5072 -0.1061 0.1170 333 MET B CB 4963 C CG . MET B 357 ? 1.0416 1.0519 0.7434 -0.4798 -0.1069 0.1135 333 MET B CG 4964 S SD . MET B 357 ? 0.9138 0.8461 0.5625 -0.4872 -0.1133 0.1104 333 MET B SD 4965 C CE . MET B 357 ? 1.1679 1.0808 0.7897 -0.5167 -0.1276 0.1074 333 MET B CE 4966 N N . GLU B 358 ? 1.0159 1.2053 0.7927 -0.5230 -0.0944 0.1216 334 GLU B N 4967 C CA . GLU B 358 ? 1.0300 1.2600 0.8133 -0.5405 -0.0929 0.1228 334 GLU B CA 4968 C C . GLU B 358 ? 0.9987 1.2939 0.8168 -0.5373 -0.0946 0.1219 334 GLU B C 4969 O O . GLU B 358 ? 1.0145 1.3448 0.8379 -0.5523 -0.0963 0.1211 334 GLU B O 4970 C CB . GLU B 358 ? 1.0316 1.2839 0.8216 -0.5427 -0.0818 0.1260 334 GLU B CB 4971 C CG . GLU B 358 ? 1.0232 1.2438 0.8054 -0.5293 -0.0765 0.1258 334 GLU B CG 4972 C CD . GLU B 358 ? 1.0639 1.2141 0.8016 -0.5370 -0.0806 0.1283 334 GLU B CD 4973 O OE1 . GLU B 358 ? 1.0721 1.1754 0.7918 -0.5313 -0.0886 0.1253 334 GLU B OE1 4974 O OE2 . GLU B 358 ? 1.0895 1.2328 0.8098 -0.5485 -0.0758 0.1342 334 GLU B OE2 4975 N N . ILE B 359 ? 0.9548 1.2675 0.7984 -0.5180 -0.0944 0.1230 335 ILE B N 4976 C CA . ILE B 359 ? 0.9233 1.3029 0.8043 -0.5111 -0.0956 0.1248 335 ILE B CA 4977 C C . ILE B 359 ? 0.9248 1.3064 0.7985 -0.5099 -0.1070 0.1247 335 ILE B C 4978 O O . ILE B 359 ? 0.9254 1.2654 0.7836 -0.4927 -0.1099 0.1258 335 ILE B O 4979 C CB . ILE B 359 ? 0.8926 1.2882 0.8072 -0.4776 -0.0873 0.1266 335 ILE B CB 4980 C CG1 . ILE B 359 ? 0.8873 1.2816 0.8072 -0.4771 -0.0778 0.1228 335 ILE B CG1 4981 C CG2 . ILE B 359 ? 0.8753 1.3375 0.8268 -0.4636 -0.0876 0.1290 335 ILE B CG2 4982 C CD1 . ILE B 359 ? 0.8601 1.2628 0.8140 -0.4431 -0.0711 0.1197 335 ILE B CD1 4983 N N . ARG B 360 ? 0.9262 1.3602 0.8109 -0.5241 -0.1130 0.1224 336 ARG B N 4984 C CA . ARG B 360 ? 0.9308 1.3754 0.8067 -0.5239 -0.1258 0.1193 336 ARG B CA 4985 C C . ARG B 360 ? 0.9095 1.4269 0.8197 -0.5044 -0.1261 0.1232 336 ARG B C 4986 O O . ARG B 360 ? 0.8886 1.4542 0.8286 -0.5028 -0.1190 0.1250 336 ARG B O 4987 C CB . ARG B 360 ? 0.9631 1.3908 0.8125 -0.5524 -0.1338 0.1094 336 ARG B CB 4988 C CG . ARG B 360 ? 0.9892 1.3379 0.8015 -0.5640 -0.1320 0.1070 336 ARG B CG 4989 C CD . ARG B 360 ? 0.9947 1.2884 0.7804 -0.5566 -0.1406 0.1046 336 ARG B CD 4990 N NE . ARG B 360 ? 0.9655 1.2473 0.7616 -0.5311 -0.1319 0.1129 336 ARG B NE 4991 C CZ . ARG B 360 ? 0.9755 1.2087 0.7510 -0.5103 -0.1330 0.1129 336 ARG B CZ 4992 N NH1 . ARG B 360 ? 0.9475 1.1717 0.7379 -0.4827 -0.1223 0.1202 336 ARG B NH1 4993 N NH2 . ARG B 360 ? 1.0138 1.2094 0.7559 -0.5169 -0.1452 0.1041 336 ARG B NH2 4994 N N . PRO B 361 ? 0.9186 1.4460 0.8237 -0.4864 -0.1343 0.1247 337 PRO B N 4995 C CA . PRO B 361 ? 0.9092 1.5082 0.8434 -0.4674 -0.1363 0.1295 337 PRO B CA 4996 C C . PRO B 361 ? 0.9213 1.5786 0.8652 -0.4976 -0.1440 0.1188 337 PRO B C 4997 O O . PRO B 361 ? 0.9457 1.5890 0.8671 -0.5282 -0.1548 0.1070 337 PRO B O 4998 C CB . PRO B 361 ? 0.9222 1.5142 0.8380 -0.4467 -0.1448 0.1327 337 PRO B CB 4999 C CG . PRO B 361 ? 0.7993 1.3289 0.6749 -0.4665 -0.1521 0.1220 337 PRO B CG 5000 C CD . PRO B 361 ? 0.9381 1.4163 0.8096 -0.4794 -0.1419 0.1225 337 PRO B CD 5001 N N . LEU B 362 ? 0.9068 1.6286 0.8859 -0.4891 -0.1388 0.1220 338 LEU B N 5002 C CA . LEU B 362 ? 0.9275 1.7049 0.9184 -0.5123 -0.1414 0.1125 338 LEU B CA 5003 C C . LEU B 362 ? 0.9591 1.7616 0.9382 -0.5198 -0.1560 0.1023 338 LEU B C 5004 O O . LEU B 362 ? 0.9922 1.7803 0.9564 -0.5446 -0.1574 0.0903 338 LEU B O 5005 C CB . LEU B 362 ? 0.9010 1.7500 0.9330 -0.4929 -0.1344 0.1173 338 LEU B CB 5006 C CG . LEU B 362 ? 0.7519 1.6536 0.7949 -0.5046 -0.1310 0.1082 338 LEU B CG 5007 C CD1 . LEU B 362 ? 0.7822 1.6372 0.8008 -0.5351 -0.1236 0.1024 338 LEU B CD1 5008 C CD2 . LEU B 362 ? 0.7241 1.6879 0.8057 -0.4814 -0.1231 0.1121 338 LEU B CD2 5009 N N . LYS B 363 ? 0.9491 1.7875 0.9346 -0.4954 -0.1665 0.1076 339 LYS B N 5010 C CA . LYS B 363 ? 0.9712 1.8491 0.9487 -0.4958 -0.1814 0.0966 339 LYS B CA 5011 C C . LYS B 363 ? 0.9815 1.8206 0.9264 -0.4820 -0.1918 0.0963 339 LYS B C 5012 O O . LYS B 363 ? 1.0138 1.8395 0.9354 -0.5003 -0.2046 0.0792 339 LYS B O 5013 C CB . LYS B 363 ? 0.9537 1.9218 0.9640 -0.4697 -0.1837 0.1025 339 LYS B CB 5014 C CG . LYS B 363 ? 0.9462 1.9523 0.9860 -0.4752 -0.1711 0.1009 339 LYS B CG 5015 C CD . LYS B 363 ? 0.9323 2.0247 1.0048 -0.4436 -0.1736 0.1075 339 LYS B CD 5016 C CE . LYS B 363 ? 0.9312 2.0626 1.0306 -0.4473 -0.1615 0.1036 339 LYS B CE 5017 N NZ . LYS B 363 ? 0.9206 2.1338 1.0524 -0.4128 -0.1638 0.1094 339 LYS B NZ 5018 N N . GLU B 364 ? 0.9630 1.7749 0.9060 -0.4437 -0.1818 0.1149 340 GLU B N 5019 C CA . GLU B 364 ? 0.9716 1.7485 0.8840 -0.4223 -0.1867 0.1186 340 GLU B CA 5020 C C . GLU B 364 ? 0.9899 1.6964 0.8664 -0.4496 -0.1928 0.1033 340 GLU B C 5021 O O . GLU B 364 ? 0.9842 1.6396 0.8581 -0.4693 -0.1846 0.1028 340 GLU B O 5022 C CB . GLU B 364 ? 0.9514 1.7016 0.8730 -0.3833 -0.1711 0.1438 340 GLU B CB 5023 C CG . GLU B 364 ? 0.9661 1.6904 0.8596 -0.3580 -0.1733 0.1521 340 GLU B CG 5024 C CD . GLU B 364 ? 0.9807 1.7709 0.8699 -0.3356 -0.1845 0.1544 340 GLU B CD 5025 O OE1 . GLU B 364 ? 1.0039 1.7853 0.8615 -0.3255 -0.1927 0.1504 340 GLU B OE1 5026 O OE2 . GLU B 364 ? 0.9716 1.8257 0.8884 -0.3257 -0.1854 0.1597 340 GLU B OE2 5027 N N . LYS B 365 ? 1.0123 1.7184 0.8606 -0.4487 -0.2082 0.0899 341 LYS B N 5028 C CA . LYS B 365 ? 1.0374 1.6748 0.8496 -0.4691 -0.2162 0.0737 341 LYS B CA 5029 C C . LYS B 365 ? 1.0195 1.5892 0.8187 -0.4503 -0.2017 0.0892 341 LYS B C 5030 O O . LYS B 365 ? 0.9999 1.5783 0.8041 -0.4139 -0.1926 0.1081 341 LYS B O 5031 C CB . LYS B 365 ? 1.0709 1.7257 0.8558 -0.4603 -0.2353 0.0564 341 LYS B CB 5032 C CG . LYS B 365 ? 1.1105 1.6936 0.8570 -0.4773 -0.2459 0.0366 341 LYS B CG 5033 C CD . LYS B 365 ? 1.1461 1.7520 0.8656 -0.4613 -0.2650 0.0177 341 LYS B CD 5034 C CE . LYS B 365 ? 1.1937 1.7246 0.8808 -0.4764 -0.2752 -0.0072 341 LYS B CE 5035 N NZ . LYS B 365 ? 1.2301 1.7790 0.8929 -0.4535 -0.2916 -0.0288 341 LYS B NZ 5036 N N . GLU B 366 ? 1.0312 1.5351 0.8151 -0.4751 -0.1994 0.0822 342 GLU B N 5037 C CA . GLU B 366 ? 1.0217 1.4650 0.7967 -0.4593 -0.1857 0.0949 342 GLU B CA 5038 C C . GLU B 366 ? 1.0312 1.4465 0.7760 -0.4326 -0.1895 0.0949 342 GLU B C 5039 O O . GLU B 366 ? 0.8789 1.2618 0.6226 -0.4108 -0.1773 0.1090 342 GLU B O 5040 C CB . GLU B 366 ? 1.0408 1.4244 0.8041 -0.4908 -0.1833 0.0877 342 GLU B CB 5041 C CG . GLU B 366 ? 1.0909 1.4178 0.8140 -0.5087 -0.1977 0.0687 342 GLU B CG 5042 C CD . GLU B 366 ? 1.1081 1.3695 0.8176 -0.5331 -0.1930 0.0675 342 GLU B CD 5043 O OE1 . GLU B 366 ? 1.1452 1.3451 0.8203 -0.5371 -0.2012 0.0567 342 GLU B OE1 5044 O OE2 . GLU B 366 ? 1.0858 1.3587 0.8177 -0.5462 -0.1815 0.0772 342 GLU B OE2 5045 N N . GLU B 367 ? 1.0571 1.4894 0.7789 -0.4340 -0.2069 0.0777 343 GLU B N 5046 C CA . GLU B 367 ? 1.0680 1.4830 0.7585 -0.4071 -0.2118 0.0751 343 GLU B CA 5047 C C . GLU B 367 ? 1.0473 1.5139 0.7518 -0.3666 -0.2025 0.0986 343 GLU B C 5048 O O . GLU B 367 ? 1.0594 1.5201 0.7429 -0.3391 -0.2015 0.1040 343 GLU B O 5049 C CB . GLU B 367 ? 1.1035 1.5217 0.7645 -0.4204 -0.2352 0.0452 343 GLU B CB 5050 C CG . GLU B 367 ? 1.1284 1.4821 0.7712 -0.4585 -0.2453 0.0232 343 GLU B CG 5051 C CD . GLU B 367 ? 1.1721 1.5012 0.7769 -0.4592 -0.2667 -0.0058 343 GLU B CD 5052 O OE1 . GLU B 367 ? 1.1777 1.5439 0.7684 -0.4278 -0.2729 -0.0092 343 GLU B OE1 5053 O OE2 . GLU B 367 ? 1.2045 1.4762 0.7945 -0.4885 -0.2766 -0.0248 343 GLU B OE2 5054 N N . ASN B 368 ? 1.0214 1.5401 0.7619 -0.3621 -0.1954 0.1137 344 ASN B N 5055 C CA . ASN B 368 ? 1.0048 1.5669 0.7634 -0.3240 -0.1846 0.1410 344 ASN B CA 5056 C C . ASN B 368 ? 0.9801 1.5064 0.7630 -0.3118 -0.1636 0.1649 344 ASN B C 5057 O O . ASN B 368 ? 0.9644 1.5128 0.7670 -0.2816 -0.1518 0.1912 344 ASN B O 5058 C CB . ASN B 368 ? 0.9991 1.6361 0.7846 -0.3213 -0.1889 0.1448 344 ASN B CB 5059 C CG . ASN B 368 ? 1.0321 1.7031 0.8024 -0.3447 -0.2107 0.1151 344 ASN B CG 5060 O OD1 . ASN B 368 ? 1.0670 1.7117 0.8034 -0.3544 -0.2242 0.0933 344 ASN B OD1 5061 N ND2 . ASN B 368 ? 0.8869 1.6182 0.6840 -0.3533 -0.2151 0.1126 344 ASN B ND2 5062 N N . LEU B 369 ? 0.9787 1.4493 0.7607 -0.3354 -0.1596 0.1555 345 LEU B N 5063 C CA . LEU B 369 ? 0.9534 1.3901 0.7600 -0.3270 -0.1420 0.1720 345 LEU B CA 5064 C C . LEU B 369 ? 0.9784 1.3546 0.7616 -0.3217 -0.1375 0.1708 345 LEU B C 5065 O O . LEU B 369 ? 1.0008 1.3493 0.7463 -0.3313 -0.1488 0.1529 345 LEU B O 5066 C CB . LEU B 369 ? 0.9176 1.3459 0.7459 -0.3528 -0.1386 0.1643 345 LEU B CB 5067 C CG . LEU B 369 ? 0.8775 1.3640 0.7439 -0.3497 -0.1355 0.1721 345 LEU B CG 5068 C CD1 . LEU B 369 ? 0.8855 1.4241 0.7439 -0.3646 -0.1506 0.1586 345 LEU B CD1 5069 C CD2 . LEU B 369 ? 0.8517 1.3229 0.7415 -0.3654 -0.1269 0.1687 345 LEU B CD2 5070 N N . VAL B 370 ? 0.9804 1.3371 0.7884 -0.3058 -0.1218 0.1885 346 VAL B N 5071 C CA . VAL B 370 ? 1.0169 1.3235 0.8092 -0.2984 -0.1161 0.1888 346 VAL B CA 5072 C C . VAL B 370 ? 1.0497 1.3059 0.8388 -0.3210 -0.1152 0.1739 346 VAL B C 5073 O O . VAL B 370 ? 1.0304 1.2908 0.8488 -0.3298 -0.1090 0.1755 346 VAL B O 5074 C CB . VAL B 370 ? 0.9985 1.3119 0.8222 -0.2700 -0.0997 0.2161 346 VAL B CB 5075 C CG1 . VAL B 370 ? 1.0064 1.2780 0.8136 -0.2614 -0.0945 0.2158 346 VAL B CG1 5076 C CG2 . VAL B 370 ? 0.7874 1.1550 0.6160 -0.2462 -0.0990 0.2361 346 VAL B CG2 5077 N N . ASN B 371 ? 1.1094 1.3202 0.8613 -0.3281 -0.1218 0.1591 347 ASN B N 5078 C CA . ASN B 371 ? 1.1506 1.3117 0.8930 -0.3470 -0.1216 0.1465 347 ASN B CA 5079 C C . ASN B 371 ? 1.2041 1.3215 0.9310 -0.3327 -0.1173 0.1457 347 ASN B C 5080 O O . ASN B 371 ? 1.2031 1.3300 0.9262 -0.3100 -0.1142 0.1545 347 ASN B O 5081 C CB . ASN B 371 ? 1.1712 1.3137 0.8809 -0.3763 -0.1367 0.1264 347 ASN B CB 5082 C CG . ASN B 371 ? 1.1990 1.3278 0.8682 -0.3724 -0.1507 0.1134 347 ASN B CG 5083 O OD1 . ASN B 371 ? 1.2158 1.2957 0.8548 -0.3696 -0.1545 0.1037 347 ASN B OD1 5084 N ND2 . ASN B 371 ? 1.2070 1.3812 0.8746 -0.3700 -0.1594 0.1112 347 ASN B ND2 5085 N N . SER B 372 ? 1.2601 1.3340 0.9780 -0.3452 -0.1167 0.1358 348 SER B N 5086 C CA . SER B 372 ? 1.3153 1.3471 1.0157 -0.3328 -0.1145 0.1316 348 SER B CA 5087 C C . SER B 372 ? 1.3907 1.3961 1.0423 -0.3320 -0.1282 0.1176 348 SER B C 5088 O O . SER B 372 ? 1.4167 1.3954 1.0395 -0.3532 -0.1403 0.1029 348 SER B O 5089 C CB . SER B 372 ? 1.3189 1.3151 1.0199 -0.3454 -0.1118 0.1241 348 SER B CB 5090 O OG . SER B 372 ? 1.3322 1.2901 1.0155 -0.3323 -0.1109 0.1186 348 SER B OG 5091 N N . LEU B 373 ? 1.4298 1.4435 1.0736 -0.3073 -0.1261 0.1222 349 LEU B N 5092 C CA . LEU B 373 ? 1.4949 1.4879 1.0927 -0.3004 -0.1394 0.1067 349 LEU B CA 5093 C C . LEU B 373 ? 1.5181 1.4599 1.0917 -0.2924 -0.1403 0.0964 349 LEU B C 5094 O O . LEU B 373 ? 1.5323 1.4311 1.0942 -0.3088 -0.1440 0.0871 349 LEU B O 5095 C CB . LEU B 373 ? 1.5050 1.5438 1.1034 -0.2748 -0.1370 0.1169 349 LEU B CB 5096 C CG . LEU B 373 ? 1.4972 1.5923 1.1161 -0.2763 -0.1368 0.1284 349 LEU B CG 5097 C CD1 . LEU B 373 ? 1.5028 1.6429 1.1181 -0.2469 -0.1332 0.1414 349 LEU B CD1 5098 C CD2 . LEU B 373 ? 1.5240 1.6148 1.1209 -0.3011 -0.1545 0.1083 349 LEU B CD2 # 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 ALA 1 -23 ? ? ? A . n A 1 2 HIS 2 -22 ? ? ? A . n A 1 3 HIS 3 -21 ? ? ? A . n A 1 4 HIS 4 -20 ? ? ? A . n A 1 5 HIS 5 -19 ? ? ? A . n A 1 6 HIS 6 -18 ? ? ? A . n A 1 7 HIS 7 -17 ? ? ? A . n A 1 8 SER 8 -16 ? ? ? A . n A 1 9 SER 9 -15 ? ? ? A . n A 1 10 GLY 10 -14 ? ? ? A . n A 1 11 VAL 11 -13 ? ? ? A . n A 1 12 ASP 12 -12 ? ? ? A . n A 1 13 LEU 13 -11 ? ? ? A . n A 1 14 GLY 14 -10 ? ? ? A . n A 1 15 THR 15 -9 ? ? ? A . n A 1 16 GLU 16 -8 ? ? ? A . n A 1 17 ASN 17 -7 ? ? ? A . n A 1 18 LEU 18 -6 ? ? ? A . n A 1 19 TYR 19 -5 ? ? ? A . n A 1 20 PHE 20 -4 ? ? ? A . n A 1 21 GLN 21 -3 ? ? ? A . n A 1 22 SER 22 -2 ? ? ? A . n A 1 23 ASN 23 -1 ? ? ? A . n A 1 24 ALA 24 0 0 ALA ALA A . n A 1 25 ASP 25 1 1 ASP ASP A . n A 1 26 SER 26 2 2 SER SER A . n A 1 27 GLY 27 3 3 GLY GLY A . n A 1 28 CYS 28 4 4 CYS CYS A . n A 1 29 VAL 29 5 5 VAL VAL A . n A 1 30 VAL 30 6 6 VAL VAL A . n A 1 31 SER 31 7 7 SER SER A . n A 1 32 TRP 32 8 ? ? ? A . n A 1 33 LYS 33 9 ? ? ? A . n A 1 34 ASN 34 10 ? ? ? A . n A 1 35 LYS 35 11 11 LYS LYS A . n A 1 36 GLU 36 12 12 GLU GLU A . n A 1 37 LEU 37 13 13 LEU LEU A . n A 1 38 LYS 38 14 14 LYS LYS A . n A 1 39 CYS 39 15 15 CYS CYS A . n A 1 40 GLY 40 16 16 GLY GLY A . n A 1 41 SER 41 17 17 SER SER A . n A 1 42 GLY 42 18 18 GLY GLY A . n A 1 43 ILE 43 19 19 ILE ILE A . n A 1 44 PHE 44 20 20 PHE PHE A . n A 1 45 ILE 45 21 21 ILE ILE A . n A 1 46 THR 46 22 22 THR THR A . n A 1 47 ASP 47 23 23 ASP ASP A . n A 1 48 ASN 48 24 24 ASN ASN A . n A 1 49 VAL 49 25 25 VAL VAL A . n A 1 50 HIS 50 26 26 HIS HIS A . n A 1 51 THR 51 27 27 THR THR A . n A 1 52 TRP 52 28 28 TRP TRP A . n A 1 53 THR 53 29 29 THR THR A . n A 1 54 GLU 54 30 30 GLU GLU A . n A 1 55 GLN 55 31 31 GLN GLN A . n A 1 56 TYR 56 32 32 TYR TYR A . n A 1 57 LYS 57 33 33 LYS LYS A . n A 1 58 PHE 58 34 34 PHE PHE A . n A 1 59 GLN 59 35 35 GLN GLN A . n A 1 60 PRO 60 36 36 PRO PRO A . n A 1 61 GLU 61 37 37 GLU GLU A . n A 1 62 SER 62 38 38 SER SER A . n A 1 63 PRO 63 39 39 PRO PRO A . n A 1 64 SER 64 40 40 SER SER A . n A 1 65 LYS 65 41 41 LYS LYS A . n A 1 66 LEU 66 42 42 LEU LEU A . n A 1 67 ALA 67 43 43 ALA ALA A . n A 1 68 SER 68 44 44 SER SER A . n A 1 69 ALA 69 45 45 ALA ALA A . n A 1 70 ILE 70 46 46 ILE ILE A . n A 1 71 GLN 71 47 47 GLN GLN A . n A 1 72 LYS 72 48 48 LYS LYS A . n A 1 73 ALA 73 49 49 ALA ALA A . n A 1 74 HIS 74 50 50 HIS HIS A . n A 1 75 GLU 75 51 51 GLU GLU A . n A 1 76 GLU 76 52 52 GLU GLU A . n A 1 77 GLY 77 53 53 GLY GLY A . n A 1 78 ILE 78 54 54 ILE ILE A . n A 1 79 CYS 79 55 55 CYS CYS A . n A 1 80 GLY 80 56 56 GLY GLY A . n A 1 81 ILE 81 57 57 ILE ILE A . n A 1 82 ARG 82 58 58 ARG ARG A . n A 1 83 SER 83 59 59 SER SER A . n A 1 84 VAL 84 60 60 VAL VAL A . n A 1 85 THR 85 61 61 THR THR A . n A 1 86 ARG 86 62 62 ARG ARG A . n A 1 87 LEU 87 63 63 LEU LEU A . n A 1 88 GLU 88 64 64 GLU GLU A . n A 1 89 ASN 89 65 65 ASN ASN A . n A 1 90 LEU 90 66 66 LEU LEU A . n A 1 91 MET 91 67 67 MET MET A . n A 1 92 TRP 92 68 68 TRP TRP A . n A 1 93 LYS 93 69 69 LYS LYS A . n A 1 94 GLN 94 70 70 GLN GLN A . n A 1 95 ILE 95 71 71 ILE ILE A . n A 1 96 THR 96 72 72 THR THR A . n A 1 97 PRO 97 73 73 PRO PRO A . n A 1 98 GLU 98 74 74 GLU GLU A . n A 1 99 LEU 99 75 75 LEU LEU A . n A 1 100 ASN 100 76 76 ASN ASN A . n A 1 101 HIS 101 77 77 HIS HIS A . n A 1 102 ILE 102 78 78 ILE ILE A . n A 1 103 LEU 103 79 79 LEU LEU A . n A 1 104 SER 104 80 80 SER SER A . n A 1 105 GLU 105 81 81 GLU GLU A . n A 1 106 ASN 106 82 82 ASN ASN A . n A 1 107 GLU 107 83 83 GLU GLU A . n A 1 108 VAL 108 84 84 VAL VAL A . n A 1 109 LYS 109 85 85 LYS LYS A . n A 1 110 LEU 110 86 86 LEU LEU A . n A 1 111 THR 111 87 87 THR THR A . n A 1 112 ILE 112 88 88 ILE ILE A . n A 1 113 MET 113 89 89 MET MET A . n A 1 114 THR 114 90 90 THR THR A . n A 1 115 GLY 115 91 91 GLY GLY A . n A 1 116 ASP 116 92 92 ASP ASP A . n A 1 117 ILE 117 93 93 ILE ILE A . n A 1 118 LYS 118 94 94 LYS LYS A . n A 1 119 GLY 119 95 95 GLY GLY A . n A 1 120 ILE 120 96 96 ILE ILE A . n A 1 121 MET 121 97 97 MET MET A . n A 1 122 GLN 122 98 98 GLN GLN A . n A 1 123 ALA 123 99 99 ALA ALA A . n A 1 124 GLY 124 100 100 GLY GLY A . n A 1 125 LYS 125 101 101 LYS LYS A . n A 1 126 ARG 126 102 102 ARG ARG A . n A 1 127 SER 127 103 103 SER SER A . n A 1 128 LEU 128 104 104 LEU LEU A . n A 1 129 ARG 129 105 105 ARG ARG A . n A 1 130 PRO 130 106 106 PRO PRO A . n A 1 131 GLN 131 107 107 GLN GLN A . n A 1 132 PRO 132 108 ? ? ? A . n A 1 133 THR 133 109 ? ? ? A . n A 1 134 GLU 134 110 ? ? ? A . n A 1 135 LEU 135 111 ? ? ? A . n A 1 136 LYS 136 112 ? ? ? A . n A 1 137 TYR 137 113 ? ? ? A . n A 1 138 SER 138 114 ? ? ? A . n A 1 139 TRP 139 115 ? ? ? A . n A 1 140 LYS 140 116 ? ? ? A . n A 1 141 THR 141 117 ? ? ? A . n A 1 142 TRP 142 118 ? ? ? A . n A 1 143 GLY 143 119 ? ? ? A . n A 1 144 LYS 144 120 ? ? ? A . n A 1 145 ALA 145 121 ? ? ? A . n A 1 146 LYS 146 122 ? ? ? A . n A 1 147 MET 147 123 ? ? ? A . n A 1 148 LEU 148 124 ? ? ? A . n A 1 149 SER 149 125 ? ? ? A . n A 1 150 THR 150 126 ? ? ? A . n A 1 151 GLU 151 127 ? ? ? A . n A 1 152 SER 152 128 ? ? ? A . n A 1 153 HIS 153 129 129 HIS HIS A . n A 1 154 ASN 154 130 130 ASN ASN A . n A 1 155 GLN 155 131 131 GLN GLN A . n A 1 156 THR 156 132 132 THR THR A . n A 1 157 PHE 157 133 133 PHE PHE A . n A 1 158 LEU 158 134 134 LEU LEU A . n A 1 159 ILE 159 135 135 ILE ILE A . n A 1 160 ASP 160 136 136 ASP ASP A . n A 1 161 GLY 161 137 137 GLY GLY A . n A 1 162 PRO 162 138 138 PRO PRO A . n A 1 163 GLU 163 139 139 GLU GLU A . n A 1 164 THR 164 140 140 THR THR A . n A 1 165 ALA 165 141 141 ALA ALA A . n A 1 166 GLU 166 142 142 GLU GLU A . n A 1 167 CYS 167 143 143 CYS CYS A . n A 1 168 PRO 168 144 144 PRO PRO A . n A 1 169 ASN 169 145 145 ASN ASN A . n A 1 170 THR 170 146 146 THR THR A . n A 1 171 ASN 171 147 147 ASN ASN A . n A 1 172 ARG 172 148 148 ARG ARG A . n A 1 173 ALA 173 149 149 ALA ALA A . n A 1 174 TRP 174 150 150 TRP TRP A . n A 1 175 ASN 175 151 151 ASN ASN A . n A 1 176 SER 176 152 152 SER SER A . n A 1 177 LEU 177 153 153 LEU LEU A . n A 1 178 GLU 178 154 154 GLU GLU A . n A 1 179 VAL 179 155 155 VAL VAL A . n A 1 180 GLU 180 156 156 GLU GLU A . n A 1 181 ASP 181 157 157 ASP ASP A . n A 1 182 TYR 182 158 158 TYR TYR A . n A 1 183 GLY 183 159 ? ? ? A . n A 1 184 PHE 184 160 ? ? ? A . n A 1 185 GLY 185 161 ? ? ? A . n A 1 186 VAL 186 162 ? ? ? A . n A 1 187 PHE 187 163 ? ? ? A . n A 1 188 THR 188 164 ? ? ? A . n A 1 189 THR 189 165 ? ? ? A . n A 1 190 ASN 190 166 166 ASN ASN A . n A 1 191 ILE 191 167 167 ILE ILE A . n A 1 192 TRP 192 168 168 TRP TRP A . n A 1 193 LEU 193 169 169 LEU LEU A . n A 1 194 LYS 194 170 170 LYS LYS A . n A 1 195 LEU 195 171 171 LEU LEU A . n A 1 196 LYS 196 172 172 LYS LYS A . n A 1 197 GLU 197 173 173 GLU GLU A . n A 1 198 LYS 198 174 174 LYS LYS A . n A 1 199 GLN 199 175 175 GLN GLN A . n A 1 200 ASP 200 176 176 ASP ASP A . n A 1 201 VAL 201 177 177 VAL VAL A . n A 1 202 PHE 202 178 178 PHE PHE A . n A 1 203 CYS 203 179 179 CYS CYS A . n A 1 204 ASP 204 180 180 ASP ASP A . n A 1 205 SER 205 181 181 SER SER A . n A 1 206 LYS 206 182 182 LYS LYS A . n A 1 207 LEU 207 183 183 LEU LEU A . n A 1 208 MET 208 184 184 MET MET A . n A 1 209 SER 209 185 185 SER SER A . n A 1 210 ALA 210 186 186 ALA ALA A . n A 1 211 ALA 211 187 187 ALA ALA A . n A 1 212 ILE 212 188 188 ILE ILE A . n A 1 213 LYS 213 189 189 LYS LYS A . n A 1 214 ASP 214 190 190 ASP ASP A . n A 1 215 ASN 215 191 191 ASN ASN A . n A 1 216 ARG 216 192 192 ARG ARG A . n A 1 217 ALA 217 193 193 ALA ALA A . n A 1 218 VAL 218 194 194 VAL VAL A . n A 1 219 HIS 219 195 195 HIS HIS A . n A 1 220 ALA 220 196 196 ALA ALA A . n A 1 221 ASP 221 197 197 ASP ASP A . n A 1 222 MET 222 198 198 MET MET A . n A 1 223 GLY 223 199 199 GLY GLY A . n A 1 224 TYR 224 200 200 TYR TYR A . n A 1 225 TRP 225 201 201 TRP TRP A . n A 1 226 ILE 226 202 202 ILE ILE A . n A 1 227 GLU 227 203 203 GLU GLU A . n A 1 228 SER 228 204 204 SER SER A . n A 1 229 ALA 229 205 205 ALA ALA A . n A 1 230 LEU 230 206 206 LEU LEU A . n A 1 231 ASN 231 207 207 ASN ASN A . n A 1 232 ASP 232 208 208 ASP ASP A . n A 1 233 THR 233 209 209 THR THR A . n A 1 234 TRP 234 210 210 TRP TRP A . n A 1 235 LYS 235 211 211 LYS LYS A . n A 1 236 ILE 236 212 212 ILE ILE A . n A 1 237 GLU 237 213 213 GLU GLU A . n A 1 238 LYS 238 214 214 LYS LYS A . n A 1 239 ALA 239 215 215 ALA ALA A . n A 1 240 SER 240 216 216 SER SER A . n A 1 241 PHE 241 217 217 PHE PHE A . n A 1 242 ILE 242 218 218 ILE ILE A . n A 1 243 GLU 243 219 219 GLU GLU A . n A 1 244 VAL 244 220 220 VAL VAL A . n A 1 245 LYS 245 221 221 LYS LYS A . n A 1 246 ASN 246 222 222 ASN ASN A . n A 1 247 CYS 247 223 223 CYS CYS A . n A 1 248 HIS 248 224 224 HIS HIS A . n A 1 249 TRP 249 225 225 TRP TRP A . n A 1 250 PRO 250 226 226 PRO PRO A . n A 1 251 LYS 251 227 227 LYS LYS A . n A 1 252 SER 252 228 228 SER SER A . n A 1 253 HIS 253 229 229 HIS HIS A . n A 1 254 THR 254 230 230 THR THR A . n A 1 255 LEU 255 231 231 LEU LEU A . n A 1 256 TRP 256 232 232 TRP TRP A . n A 1 257 SER 257 233 233 SER SER A . n A 1 258 ASN 258 234 234 ASN ASN A . n A 1 259 GLY 259 235 235 GLY GLY A . n A 1 260 VAL 260 236 236 VAL VAL A . n A 1 261 LEU 261 237 237 LEU LEU A . n A 1 262 GLU 262 238 238 GLU GLU A . n A 1 263 SER 263 239 239 SER SER A . n A 1 264 GLU 264 240 240 GLU GLU A . n A 1 265 MET 265 241 241 MET MET A . n A 1 266 ILE 266 242 242 ILE ILE A . n A 1 267 ILE 267 243 243 ILE ILE A . n A 1 268 PRO 268 244 244 PRO PRO A . n A 1 269 LYS 269 245 245 LYS LYS A . n A 1 270 ASN 270 246 246 ASN ASN A . n A 1 271 LEU 271 247 247 LEU LEU A . n A 1 272 ALA 272 248 248 ALA ALA A . n A 1 273 GLY 273 249 249 GLY GLY A . n A 1 274 PRO 274 250 250 PRO PRO A . n A 1 275 VAL 275 251 251 VAL VAL A . n A 1 276 SER 276 252 252 SER SER A . n A 1 277 GLN 277 253 253 GLN GLN A . n A 1 278 HIS 278 254 254 HIS HIS A . n A 1 279 ASN 279 255 255 ASN ASN A . n A 1 280 TYR 280 256 256 TYR TYR A . n A 1 281 ARG 281 257 257 ARG ARG A . n A 1 282 PRO 282 258 258 PRO PRO A . n A 1 283 GLY 283 259 259 GLY GLY A . n A 1 284 TYR 284 260 260 TYR TYR A . n A 1 285 HIS 285 261 261 HIS HIS A . n A 1 286 THR 286 262 262 THR THR A . n A 1 287 GLN 287 263 263 GLN GLN A . n A 1 288 ILE 288 264 264 ILE ILE A . n A 1 289 THR 289 265 265 THR THR A . n A 1 290 GLY 290 266 266 GLY GLY A . n A 1 291 PRO 291 267 267 PRO PRO A . n A 1 292 TRP 292 268 268 TRP TRP A . n A 1 293 HIS 293 269 269 HIS HIS A . n A 1 294 LEU 294 270 270 LEU LEU A . n A 1 295 GLY 295 271 271 GLY GLY A . n A 1 296 LYS 296 272 272 LYS LYS A . n A 1 297 LEU 297 273 273 LEU LEU A . n A 1 298 GLU 298 274 274 GLU GLU A . n A 1 299 MET 299 275 275 MET MET A . n A 1 300 ASP 300 276 276 ASP ASP A . n A 1 301 PHE 301 277 277 PHE PHE A . n A 1 302 ASP 302 278 278 ASP ASP A . n A 1 303 PHE 303 279 279 PHE PHE A . n A 1 304 CYS 304 280 280 CYS CYS A . n A 1 305 ASP 305 281 281 ASP ASP A . n A 1 306 GLY 306 282 282 GLY GLY A . n A 1 307 THR 307 283 283 THR THR A . n A 1 308 THR 308 284 284 THR THR A . n A 1 309 VAL 309 285 285 VAL VAL A . n A 1 310 VAL 310 286 286 VAL VAL A . n A 1 311 VAL 311 287 287 VAL VAL A . n A 1 312 THR 312 288 288 THR THR A . n A 1 313 GLU 313 289 289 GLU GLU A . n A 1 314 ASP 314 290 290 ASP ASP A . n A 1 315 CYS 315 291 291 CYS CYS A . n A 1 316 GLY 316 292 292 GLY GLY A . n A 1 317 ASN 317 293 293 ASN ASN A . n A 1 318 ARG 318 294 294 ARG ARG A . n A 1 319 GLY 319 295 295 GLY GLY A . n A 1 320 PRO 320 296 296 PRO PRO A . n A 1 321 SER 321 297 297 SER SER A . n A 1 322 LEU 322 298 298 LEU LEU A . n A 1 323 ARG 323 299 299 ARG ARG A . n A 1 324 THR 324 300 300 THR THR A . n A 1 325 THR 325 301 301 THR THR A . n A 1 326 THR 326 302 302 THR THR A . n A 1 327 ALA 327 303 303 ALA ALA A . n A 1 328 SER 328 304 304 SER SER A . n A 1 329 GLY 329 305 305 GLY GLY A . n A 1 330 LYS 330 306 306 LYS LYS A . n A 1 331 LEU 331 307 307 LEU LEU A . n A 1 332 ILE 332 308 308 ILE ILE A . n A 1 333 THR 333 309 309 THR THR A . n A 1 334 GLU 334 310 310 GLU GLU A . n A 1 335 TRP 335 311 311 TRP TRP A . n A 1 336 CYS 336 312 312 CYS CYS A . n A 1 337 CYS 337 313 313 CYS CYS A . n A 1 338 ARG 338 314 314 ARG ARG A . n A 1 339 SER 339 315 315 SER SER A . n A 1 340 CYS 340 316 316 CYS CYS A . n A 1 341 THR 341 317 317 THR THR A . n A 1 342 LEU 342 318 318 LEU LEU A . n A 1 343 PRO 343 319 319 PRO PRO A . n A 1 344 PRO 344 320 320 PRO PRO A . n A 1 345 LEU 345 321 321 LEU LEU A . n A 1 346 ARG 346 322 322 ARG ARG A . n A 1 347 TYR 347 323 323 TYR TYR A . n A 1 348 ARG 348 324 324 ARG ARG A . n A 1 349 GLY 349 325 325 GLY GLY A . n A 1 350 GLU 350 326 326 GLU GLU A . n A 1 351 ASP 351 327 327 ASP ASP A . n A 1 352 GLY 352 328 328 GLY GLY A . n A 1 353 CYS 353 329 329 CYS CYS A . n A 1 354 TRP 354 330 330 TRP TRP A . n A 1 355 TYR 355 331 331 TYR TYR A . n A 1 356 GLY 356 332 332 GLY GLY A . n A 1 357 MET 357 333 333 MET MET A . n A 1 358 GLU 358 334 334 GLU GLU A . n A 1 359 ILE 359 335 335 ILE ILE A . n A 1 360 ARG 360 336 336 ARG ARG A . n A 1 361 PRO 361 337 337 PRO PRO A . n A 1 362 LEU 362 338 338 LEU LEU A . n A 1 363 LYS 363 339 339 LYS LYS A . n A 1 364 GLU 364 340 340 GLU GLU A . n A 1 365 LYS 365 341 341 LYS LYS A . n A 1 366 GLU 366 342 342 GLU GLU A . n A 1 367 GLU 367 343 343 GLU GLU A . n A 1 368 ASN 368 344 344 ASN ASN A . n A 1 369 LEU 369 345 345 LEU LEU A . n A 1 370 VAL 370 346 346 VAL VAL A . n A 1 371 ASN 371 347 347 ASN ASN A . n A 1 372 SER 372 348 348 SER SER A . n A 1 373 LEU 373 349 349 LEU LEU A . n A 1 374 VAL 374 350 ? ? ? A . n A 1 375 THR 375 351 ? ? ? A . n A 1 376 ALA 376 352 ? ? ? A . n B 1 1 ALA 1 -23 ? ? ? B . n B 1 2 HIS 2 -22 ? ? ? B . n B 1 3 HIS 3 -21 ? ? ? B . n B 1 4 HIS 4 -20 ? ? ? B . n B 1 5 HIS 5 -19 ? ? ? B . n B 1 6 HIS 6 -18 ? ? ? B . n B 1 7 HIS 7 -17 ? ? ? B . n B 1 8 SER 8 -16 ? ? ? B . n B 1 9 SER 9 -15 ? ? ? B . n B 1 10 GLY 10 -14 ? ? ? B . n B 1 11 VAL 11 -13 ? ? ? B . n B 1 12 ASP 12 -12 ? ? ? B . n B 1 13 LEU 13 -11 ? ? ? B . n B 1 14 GLY 14 -10 ? ? ? B . n B 1 15 THR 15 -9 ? ? ? B . n B 1 16 GLU 16 -8 ? ? ? B . n B 1 17 ASN 17 -7 ? ? ? B . n B 1 18 LEU 18 -6 ? ? ? B . n B 1 19 TYR 19 -5 ? ? ? B . n B 1 20 PHE 20 -4 ? ? ? B . n B 1 21 GLN 21 -3 ? ? ? B . n B 1 22 SER 22 -2 ? ? ? B . n B 1 23 ASN 23 -1 ? ? ? B . n B 1 24 ALA 24 0 ? ? ? B . n B 1 25 ASP 25 1 1 ASP ASP B . n B 1 26 SER 26 2 2 SER SER B . n B 1 27 GLY 27 3 3 GLY GLY B . n B 1 28 CYS 28 4 4 CYS CYS B . n B 1 29 VAL 29 5 5 VAL VAL B . n B 1 30 VAL 30 6 6 VAL VAL B . n B 1 31 SER 31 7 7 SER SER B . n B 1 32 TRP 32 8 8 TRP TRP B . n B 1 33 LYS 33 9 9 LYS LYS B . n B 1 34 ASN 34 10 10 ASN ASN B . n B 1 35 LYS 35 11 11 LYS LYS B . n B 1 36 GLU 36 12 12 GLU GLU B . n B 1 37 LEU 37 13 13 LEU LEU B . n B 1 38 LYS 38 14 14 LYS LYS B . n B 1 39 CYS 39 15 15 CYS CYS B . n B 1 40 GLY 40 16 16 GLY GLY B . n B 1 41 SER 41 17 17 SER SER B . n B 1 42 GLY 42 18 18 GLY GLY B . n B 1 43 ILE 43 19 19 ILE ILE B . n B 1 44 PHE 44 20 20 PHE PHE B . n B 1 45 ILE 45 21 21 ILE ILE B . n B 1 46 THR 46 22 22 THR THR B . n B 1 47 ASP 47 23 23 ASP ASP B . n B 1 48 ASN 48 24 24 ASN ASN B . n B 1 49 VAL 49 25 25 VAL VAL B . n B 1 50 HIS 50 26 26 HIS HIS B . n B 1 51 THR 51 27 27 THR THR B . n B 1 52 TRP 52 28 28 TRP TRP B . n B 1 53 THR 53 29 29 THR THR B . n B 1 54 GLU 54 30 30 GLU GLU B . n B 1 55 GLN 55 31 31 GLN GLN B . n B 1 56 TYR 56 32 32 TYR TYR B . n B 1 57 LYS 57 33 33 LYS LYS B . n B 1 58 PHE 58 34 34 PHE PHE B . n B 1 59 GLN 59 35 35 GLN GLN B . n B 1 60 PRO 60 36 36 PRO PRO B . n B 1 61 GLU 61 37 37 GLU GLU B . n B 1 62 SER 62 38 38 SER SER B . n B 1 63 PRO 63 39 39 PRO PRO B . n B 1 64 SER 64 40 40 SER SER B . n B 1 65 LYS 65 41 41 LYS LYS B . n B 1 66 LEU 66 42 42 LEU LEU B . n B 1 67 ALA 67 43 43 ALA ALA B . n B 1 68 SER 68 44 44 SER SER B . n B 1 69 ALA 69 45 45 ALA ALA B . n B 1 70 ILE 70 46 46 ILE ILE B . n B 1 71 GLN 71 47 47 GLN GLN B . n B 1 72 LYS 72 48 48 LYS LYS B . n B 1 73 ALA 73 49 49 ALA ALA B . n B 1 74 HIS 74 50 50 HIS HIS B . n B 1 75 GLU 75 51 51 GLU GLU B . n B 1 76 GLU 76 52 52 GLU GLU B . n B 1 77 GLY 77 53 53 GLY GLY B . n B 1 78 ILE 78 54 54 ILE ILE B . n B 1 79 CYS 79 55 55 CYS CYS B . n B 1 80 GLY 80 56 56 GLY GLY B . n B 1 81 ILE 81 57 57 ILE ILE B . n B 1 82 ARG 82 58 58 ARG ARG B . n B 1 83 SER 83 59 59 SER SER B . n B 1 84 VAL 84 60 60 VAL VAL B . n B 1 85 THR 85 61 61 THR THR B . n B 1 86 ARG 86 62 62 ARG ARG B . n B 1 87 LEU 87 63 63 LEU LEU B . n B 1 88 GLU 88 64 64 GLU GLU B . n B 1 89 ASN 89 65 65 ASN ASN B . n B 1 90 LEU 90 66 66 LEU LEU B . n B 1 91 MET 91 67 67 MET MET B . n B 1 92 TRP 92 68 68 TRP TRP B . n B 1 93 LYS 93 69 69 LYS LYS B . n B 1 94 GLN 94 70 70 GLN GLN B . n B 1 95 ILE 95 71 71 ILE ILE B . n B 1 96 THR 96 72 72 THR THR B . n B 1 97 PRO 97 73 73 PRO PRO B . n B 1 98 GLU 98 74 74 GLU GLU B . n B 1 99 LEU 99 75 75 LEU LEU B . n B 1 100 ASN 100 76 76 ASN ASN B . n B 1 101 HIS 101 77 77 HIS HIS B . n B 1 102 ILE 102 78 78 ILE ILE B . n B 1 103 LEU 103 79 79 LEU LEU B . n B 1 104 SER 104 80 80 SER SER B . n B 1 105 GLU 105 81 81 GLU GLU B . n B 1 106 ASN 106 82 82 ASN ASN B . n B 1 107 GLU 107 83 83 GLU GLU B . n B 1 108 VAL 108 84 84 VAL VAL B . n B 1 109 LYS 109 85 85 LYS LYS B . n B 1 110 LEU 110 86 86 LEU LEU B . n B 1 111 THR 111 87 87 THR THR B . n B 1 112 ILE 112 88 88 ILE ILE B . n B 1 113 MET 113 89 89 MET MET B . n B 1 114 THR 114 90 90 THR THR B . n B 1 115 GLY 115 91 91 GLY GLY B . n B 1 116 ASP 116 92 92 ASP ASP B . n B 1 117 ILE 117 93 93 ILE ILE B . n B 1 118 LYS 118 94 94 LYS LYS B . n B 1 119 GLY 119 95 95 GLY GLY B . n B 1 120 ILE 120 96 96 ILE ILE B . n B 1 121 MET 121 97 97 MET MET B . n B 1 122 GLN 122 98 98 GLN GLN B . n B 1 123 ALA 123 99 99 ALA ALA B . n B 1 124 GLY 124 100 100 GLY GLY B . n B 1 125 LYS 125 101 101 LYS LYS B . n B 1 126 ARG 126 102 102 ARG ARG B . n B 1 127 SER 127 103 103 SER SER B . n B 1 128 LEU 128 104 104 LEU LEU B . n B 1 129 ARG 129 105 105 ARG ARG B . n B 1 130 PRO 130 106 106 PRO PRO B . n B 1 131 GLN 131 107 ? ? ? B . n B 1 132 PRO 132 108 ? ? ? B . n B 1 133 THR 133 109 ? ? ? B . n B 1 134 GLU 134 110 ? ? ? B . n B 1 135 LEU 135 111 ? ? ? B . n B 1 136 LYS 136 112 ? ? ? B . n B 1 137 TYR 137 113 ? ? ? B . n B 1 138 SER 138 114 ? ? ? B . n B 1 139 TRP 139 115 ? ? ? B . n B 1 140 LYS 140 116 ? ? ? B . n B 1 141 THR 141 117 ? ? ? B . n B 1 142 TRP 142 118 ? ? ? B . n B 1 143 GLY 143 119 ? ? ? B . n B 1 144 LYS 144 120 ? ? ? B . n B 1 145 ALA 145 121 ? ? ? B . n B 1 146 LYS 146 122 ? ? ? B . n B 1 147 MET 147 123 ? ? ? B . n B 1 148 LEU 148 124 ? ? ? B . n B 1 149 SER 149 125 ? ? ? B . n B 1 150 THR 150 126 ? ? ? B . n B 1 151 GLU 151 127 ? ? ? B . n B 1 152 SER 152 128 ? ? ? B . n B 1 153 HIS 153 129 ? ? ? B . n B 1 154 ASN 154 130 ? ? ? B . n B 1 155 GLN 155 131 131 GLN GLN B . n B 1 156 THR 156 132 132 THR THR B . n B 1 157 PHE 157 133 133 PHE PHE B . n B 1 158 LEU 158 134 134 LEU LEU B . n B 1 159 ILE 159 135 135 ILE ILE B . n B 1 160 ASP 160 136 136 ASP ASP B . n B 1 161 GLY 161 137 137 GLY GLY B . n B 1 162 PRO 162 138 138 PRO PRO B . n B 1 163 GLU 163 139 139 GLU GLU B . n B 1 164 THR 164 140 140 THR THR B . n B 1 165 ALA 165 141 141 ALA ALA B . n B 1 166 GLU 166 142 142 GLU GLU B . n B 1 167 CYS 167 143 143 CYS CYS B . n B 1 168 PRO 168 144 144 PRO PRO B . n B 1 169 ASN 169 145 145 ASN ASN B . n B 1 170 THR 170 146 146 THR THR B . n B 1 171 ASN 171 147 147 ASN ASN B . n B 1 172 ARG 172 148 148 ARG ARG B . n B 1 173 ALA 173 149 149 ALA ALA B . n B 1 174 TRP 174 150 150 TRP TRP B . n B 1 175 ASN 175 151 151 ASN ASN B . n B 1 176 SER 176 152 152 SER SER B . n B 1 177 LEU 177 153 153 LEU LEU B . n B 1 178 GLU 178 154 154 GLU GLU B . n B 1 179 VAL 179 155 155 VAL VAL B . n B 1 180 GLU 180 156 156 GLU GLU B . n B 1 181 ASP 181 157 157 ASP ASP B . n B 1 182 TYR 182 158 158 TYR TYR B . n B 1 183 GLY 183 159 159 GLY GLY B . n B 1 184 PHE 184 160 160 PHE PHE B . n B 1 185 GLY 185 161 161 GLY GLY B . n B 1 186 VAL 186 162 ? ? ? B . n B 1 187 PHE 187 163 ? ? ? B . n B 1 188 THR 188 164 164 THR THR B . n B 1 189 THR 189 165 165 THR THR B . n B 1 190 ASN 190 166 166 ASN ASN B . n B 1 191 ILE 191 167 167 ILE ILE B . n B 1 192 TRP 192 168 168 TRP TRP B . n B 1 193 LEU 193 169 169 LEU LEU B . n B 1 194 LYS 194 170 170 LYS LYS B . n B 1 195 LEU 195 171 171 LEU LEU B . n B 1 196 LYS 196 172 172 LYS LYS B . n B 1 197 GLU 197 173 173 GLU GLU B . n B 1 198 LYS 198 174 174 LYS LYS B . n B 1 199 GLN 199 175 175 GLN GLN B . n B 1 200 ASP 200 176 176 ASP ASP B . n B 1 201 VAL 201 177 177 VAL VAL B . n B 1 202 PHE 202 178 178 PHE PHE B . n B 1 203 CYS 203 179 179 CYS CYS B . n B 1 204 ASP 204 180 180 ASP ASP B . n B 1 205 SER 205 181 181 SER SER B . n B 1 206 LYS 206 182 182 LYS LYS B . n B 1 207 LEU 207 183 183 LEU LEU B . n B 1 208 MET 208 184 184 MET MET B . n B 1 209 SER 209 185 185 SER SER B . n B 1 210 ALA 210 186 186 ALA ALA B . n B 1 211 ALA 211 187 187 ALA ALA B . n B 1 212 ILE 212 188 188 ILE ILE B . n B 1 213 LYS 213 189 189 LYS LYS B . n B 1 214 ASP 214 190 190 ASP ASP B . n B 1 215 ASN 215 191 191 ASN ASN B . n B 1 216 ARG 216 192 192 ARG ARG B . n B 1 217 ALA 217 193 193 ALA ALA B . n B 1 218 VAL 218 194 194 VAL VAL B . n B 1 219 HIS 219 195 195 HIS HIS B . n B 1 220 ALA 220 196 196 ALA ALA B . n B 1 221 ASP 221 197 197 ASP ASP B . n B 1 222 MET 222 198 198 MET MET B . n B 1 223 GLY 223 199 199 GLY GLY B . n B 1 224 TYR 224 200 200 TYR TYR B . n B 1 225 TRP 225 201 201 TRP TRP B . n B 1 226 ILE 226 202 202 ILE ILE B . n B 1 227 GLU 227 203 203 GLU GLU B . n B 1 228 SER 228 204 204 SER SER B . n B 1 229 ALA 229 205 205 ALA ALA B . n B 1 230 LEU 230 206 206 LEU LEU B . n B 1 231 ASN 231 207 207 ASN ASN B . n B 1 232 ASP 232 208 208 ASP ASP B . n B 1 233 THR 233 209 209 THR THR B . n B 1 234 TRP 234 210 210 TRP TRP B . n B 1 235 LYS 235 211 211 LYS LYS B . n B 1 236 ILE 236 212 212 ILE ILE B . n B 1 237 GLU 237 213 213 GLU GLU B . n B 1 238 LYS 238 214 214 LYS LYS B . n B 1 239 ALA 239 215 215 ALA ALA B . n B 1 240 SER 240 216 216 SER SER B . n B 1 241 PHE 241 217 217 PHE PHE B . n B 1 242 ILE 242 218 218 ILE ILE B . n B 1 243 GLU 243 219 219 GLU GLU B . n B 1 244 VAL 244 220 220 VAL VAL B . n B 1 245 LYS 245 221 221 LYS LYS B . n B 1 246 ASN 246 222 222 ASN ASN B . n B 1 247 CYS 247 223 223 CYS CYS B . n B 1 248 HIS 248 224 224 HIS HIS B . n B 1 249 TRP 249 225 225 TRP TRP B . n B 1 250 PRO 250 226 226 PRO PRO B . n B 1 251 LYS 251 227 227 LYS LYS B . n B 1 252 SER 252 228 228 SER SER B . n B 1 253 HIS 253 229 229 HIS HIS B . n B 1 254 THR 254 230 230 THR THR B . n B 1 255 LEU 255 231 231 LEU LEU B . n B 1 256 TRP 256 232 232 TRP TRP B . n B 1 257 SER 257 233 233 SER SER B . n B 1 258 ASN 258 234 234 ASN ASN B . n B 1 259 GLY 259 235 235 GLY GLY B . n B 1 260 VAL 260 236 236 VAL VAL B . n B 1 261 LEU 261 237 237 LEU LEU B . n B 1 262 GLU 262 238 238 GLU GLU B . n B 1 263 SER 263 239 239 SER SER B . n B 1 264 GLU 264 240 240 GLU GLU B . n B 1 265 MET 265 241 241 MET MET B . n B 1 266 ILE 266 242 242 ILE ILE B . n B 1 267 ILE 267 243 243 ILE ILE B . n B 1 268 PRO 268 244 244 PRO PRO B . n B 1 269 LYS 269 245 245 LYS LYS B . n B 1 270 ASN 270 246 246 ASN ASN B . n B 1 271 LEU 271 247 247 LEU LEU B . n B 1 272 ALA 272 248 248 ALA ALA B . n B 1 273 GLY 273 249 249 GLY GLY B . n B 1 274 PRO 274 250 250 PRO PRO B . n B 1 275 VAL 275 251 251 VAL VAL B . n B 1 276 SER 276 252 252 SER SER B . n B 1 277 GLN 277 253 253 GLN GLN B . n B 1 278 HIS 278 254 254 HIS HIS B . n B 1 279 ASN 279 255 255 ASN ASN B . n B 1 280 TYR 280 256 256 TYR TYR B . n B 1 281 ARG 281 257 257 ARG ARG B . n B 1 282 PRO 282 258 258 PRO PRO B . n B 1 283 GLY 283 259 259 GLY GLY B . n B 1 284 TYR 284 260 260 TYR TYR B . n B 1 285 HIS 285 261 261 HIS HIS B . n B 1 286 THR 286 262 262 THR THR B . n B 1 287 GLN 287 263 263 GLN GLN B . n B 1 288 ILE 288 264 264 ILE ILE B . n B 1 289 THR 289 265 265 THR THR B . n B 1 290 GLY 290 266 266 GLY GLY B . n B 1 291 PRO 291 267 267 PRO PRO B . n B 1 292 TRP 292 268 268 TRP TRP B . n B 1 293 HIS 293 269 269 HIS HIS B . n B 1 294 LEU 294 270 270 LEU LEU B . n B 1 295 GLY 295 271 271 GLY GLY B . n B 1 296 LYS 296 272 272 LYS LYS B . n B 1 297 LEU 297 273 273 LEU LEU B . n B 1 298 GLU 298 274 274 GLU GLU B . n B 1 299 MET 299 275 275 MET MET B . n B 1 300 ASP 300 276 276 ASP ASP B . n B 1 301 PHE 301 277 277 PHE PHE B . n B 1 302 ASP 302 278 278 ASP ASP B . n B 1 303 PHE 303 279 279 PHE PHE B . n B 1 304 CYS 304 280 280 CYS CYS B . n B 1 305 ASP 305 281 281 ASP ASP B . n B 1 306 GLY 306 282 282 GLY GLY B . n B 1 307 THR 307 283 283 THR THR B . n B 1 308 THR 308 284 284 THR THR B . n B 1 309 VAL 309 285 285 VAL VAL B . n B 1 310 VAL 310 286 286 VAL VAL B . n B 1 311 VAL 311 287 287 VAL VAL B . n B 1 312 THR 312 288 288 THR THR B . n B 1 313 GLU 313 289 289 GLU GLU B . n B 1 314 ASP 314 290 290 ASP ASP B . n B 1 315 CYS 315 291 291 CYS CYS B . n B 1 316 GLY 316 292 292 GLY GLY B . n B 1 317 ASN 317 293 293 ASN ASN B . n B 1 318 ARG 318 294 294 ARG ARG B . n B 1 319 GLY 319 295 295 GLY GLY B . n B 1 320 PRO 320 296 296 PRO PRO B . n B 1 321 SER 321 297 297 SER SER B . n B 1 322 LEU 322 298 298 LEU LEU B . n B 1 323 ARG 323 299 299 ARG ARG B . n B 1 324 THR 324 300 300 THR THR B . n B 1 325 THR 325 301 301 THR THR B . n B 1 326 THR 326 302 302 THR THR B . n B 1 327 ALA 327 303 303 ALA ALA B . n B 1 328 SER 328 304 304 SER SER B . n B 1 329 GLY 329 305 305 GLY GLY B . n B 1 330 LYS 330 306 306 LYS LYS B . n B 1 331 LEU 331 307 307 LEU LEU B . n B 1 332 ILE 332 308 308 ILE ILE B . n B 1 333 THR 333 309 309 THR THR B . n B 1 334 GLU 334 310 310 GLU GLU B . n B 1 335 TRP 335 311 311 TRP TRP B . n B 1 336 CYS 336 312 312 CYS CYS B . n B 1 337 CYS 337 313 313 CYS CYS B . n B 1 338 ARG 338 314 314 ARG ARG B . n B 1 339 SER 339 315 315 SER SER B . n B 1 340 CYS 340 316 316 CYS CYS B . n B 1 341 THR 341 317 317 THR THR B . n B 1 342 LEU 342 318 318 LEU LEU B . n B 1 343 PRO 343 319 319 PRO PRO B . n B 1 344 PRO 344 320 320 PRO PRO B . n B 1 345 LEU 345 321 321 LEU LEU B . n B 1 346 ARG 346 322 322 ARG ARG B . n B 1 347 TYR 347 323 323 TYR TYR B . n B 1 348 ARG 348 324 324 ARG ARG B . n B 1 349 GLY 349 325 325 GLY GLY B . n B 1 350 GLU 350 326 326 GLU GLU B . n B 1 351 ASP 351 327 327 ASP ASP B . n B 1 352 GLY 352 328 328 GLY GLY B . n B 1 353 CYS 353 329 329 CYS CYS B . n B 1 354 TRP 354 330 330 TRP TRP B . n B 1 355 TYR 355 331 331 TYR TYR B . n B 1 356 GLY 356 332 332 GLY GLY B . n B 1 357 MET 357 333 333 MET MET B . n B 1 358 GLU 358 334 334 GLU GLU B . n B 1 359 ILE 359 335 335 ILE ILE B . n B 1 360 ARG 360 336 336 ARG ARG B . n B 1 361 PRO 361 337 337 PRO PRO B . n B 1 362 LEU 362 338 338 LEU LEU B . n B 1 363 LYS 363 339 339 LYS LYS B . n B 1 364 GLU 364 340 340 GLU GLU B . n B 1 365 LYS 365 341 341 LYS LYS B . n B 1 366 GLU 366 342 342 GLU GLU B . n B 1 367 GLU 367 343 343 GLU GLU B . n B 1 368 ASN 368 344 344 ASN ASN B . n B 1 369 LEU 369 345 345 LEU LEU B . n B 1 370 VAL 370 346 346 VAL VAL B . n B 1 371 ASN 371 347 347 ASN ASN B . n B 1 372 SER 372 348 348 SER SER B . n B 1 373 LEU 373 349 349 LEU LEU B . n B 1 374 VAL 374 350 ? ? ? B . n B 1 375 THR 375 351 ? ? ? B . n B 1 376 ALA 376 352 ? ? ? B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 401 441 NAG NAG A . D 2 NAG 1 401 441 NAG NAG B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 231 A ASN 207 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 231 B ASN 207 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # 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)' 4280 ? 1 MORE -17 ? 1 'SSA (A^2)' 29930 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2014-02-19 2 'Structure model' 1 1 2014-03-12 3 'Structure model' 1 2 2017-11-22 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_software.classification' 2 3 'Structure model' '_software.contact_author' 3 3 'Structure model' '_software.contact_author_email' 4 3 'Structure model' '_software.date' 5 3 'Structure model' '_software.language' 6 3 'Structure model' '_software.location' 7 3 'Structure model' '_software.name' 8 3 'Structure model' '_software.type' 9 3 'Structure model' '_software.version' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -4.0947 -16.2444 -22.1177 1.0478 0.1113 0.8563 -0.4173 -0.0038 -0.1364 4.5806 3.8425 1.6608 1.5963 -0.9792 -2.5114 0.3643 0.3287 -0.0028 -0.3657 0.2352 0.1174 0.1093 -1.0318 0.4446 'X-RAY DIFFRACTION' 2 ? refined -29.5535 -21.6114 -3.4427 0.6042 0.7171 0.6157 0.1729 0.0310 -0.1529 4.3198 9.0765 5.9688 0.9110 0.4743 1.4553 0.2465 -0.0671 -0.0912 -0.6866 0.3523 1.1540 -0.0120 -0.9701 -0.7910 'X-RAY DIFFRACTION' 3 ? refined -27.2796 -28.1855 -4.3907 0.7015 0.8156 0.5575 -0.2836 0.0716 -0.0814 5.2769 2.3326 3.3986 -1.5176 -2.9220 0.6782 0.0272 -0.0604 0.1716 0.0415 0.1960 0.2781 0.1453 0.2938 -1.3350 'X-RAY DIFFRACTION' 4 ? refined -6.2285 -34.7666 -18.7159 0.6609 0.2721 0.5368 -0.0560 -0.1603 0.0421 4.2054 2.0962 4.9770 -1.0151 -2.6734 1.0250 -0.2928 0.3506 -0.0390 -0.3107 0.0553 -0.0220 -0.0920 0.9224 0.1006 'X-RAY DIFFRACTION' 5 ? refined 5.0902 -40.6390 -1.6196 1.0481 0.7174 0.5346 0.2565 -0.1396 -0.0163 3.8532 0.9414 3.6573 0.3133 0.8333 -0.4012 0.0227 -0.0984 0.0674 -0.4055 -0.1235 -0.3967 0.3147 0.8896 1.1867 'X-RAY DIFFRACTION' 6 ? refined -6.6065 -14.9323 -32.0921 1.1040 0.5456 1.0689 -0.4813 0.0997 -0.0067 4.6914 3.0383 4.2082 0.2542 1.9398 2.9078 -0.2315 -0.2267 0.1744 0.1965 1.0823 0.7485 -0.3650 -1.9039 0.4781 'X-RAY DIFFRACTION' 7 ? refined 16.5233 -35.4739 -48.5575 0.4675 1.4537 1.1886 0.1361 -0.1844 0.0392 2.8977 5.3205 8.1787 3.8029 -0.6701 0.1398 0.2313 -0.6311 0.2116 0.3062 -0.8085 -0.8042 0.1329 -0.1069 2.4415 'X-RAY DIFFRACTION' 8 ? refined 12.4832 -31.8409 -53.7997 0.6424 1.0352 0.8426 -0.1355 -0.0719 0.2433 5.1638 4.4241 6.6378 -4.5649 -1.2691 2.6080 0.2921 0.5071 -0.3958 -0.7880 0.0164 -0.6805 -0.7448 -0.4437 0.8956 'X-RAY DIFFRACTION' 9 ? refined 10.6976 -38.5548 -56.2173 0.6807 1.2994 0.7790 0.1748 -0.0160 0.3376 3.4287 3.5401 1.6719 -1.7438 0.7104 1.6566 0.2996 -0.6255 0.3565 0.7667 0.9230 -1.3738 0.2105 0.6392 1.4431 'X-RAY DIFFRACTION' 10 ? refined 7.4542 -36.0276 -45.6780 0.5104 0.6819 0.5494 0.1219 0.0809 -0.0836 7.0426 5.4581 6.3769 0.1305 0.4889 -0.1477 0.4170 -0.3116 -0.2869 0.3874 0.0874 -0.0867 0.1820 0.5492 0.5284 'X-RAY DIFFRACTION' 11 ? refined -8.4987 -27.4109 -31.6552 0.7402 0.1873 0.7154 -0.2815 -0.1549 0.0291 0.3574 2.5985 0.6164 -0.3636 -0.0707 0.2312 0.1726 0.2320 0.3926 0.1538 0.0374 0.1696 -0.1361 -0.1332 0.0615 'X-RAY DIFFRACTION' 12 ? refined -11.9734 -32.3032 -37.2360 0.5313 0.2864 0.4527 -0.1160 -0.0828 -0.0158 1.8286 2.2456 5.2939 0.0679 -0.1209 -0.5664 -0.0330 0.0687 0.1511 -0.1239 0.0250 0.2193 -0.0691 0.2482 0.0389 'X-RAY DIFFRACTION' 13 ? refined -15.0767 -38.5709 -39.2806 0.8601 0.3894 0.6714 -0.2986 0.0267 0.0073 0.2023 0.2576 1.4494 0.2281 0.5373 0.6050 -0.1829 0.2678 0.0068 0.1040 0.0886 -0.3781 0.0187 1.0378 -0.7111 'X-RAY DIFFRACTION' 14 ? refined -23.4816 -31.7645 -49.4165 0.6083 0.7435 0.6013 -0.0686 -0.2164 0.0050 6.6796 2.8691 2.8606 0.6455 -0.2640 0.3245 0.2839 0.0369 -0.3319 1.0753 -0.1589 0.6310 -0.1715 0.4216 -1.1397 'X-RAY DIFFRACTION' 15 ? refined -25.7549 -32.0672 -56.0920 0.6806 1.0451 0.5984 -0.3982 -0.0995 0.1522 4.3354 1.2876 3.2267 -1.4349 0.4545 0.3991 0.2710 -0.1918 -0.0806 0.4256 0.2952 0.2516 -0.1621 0.5262 -1.1117 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 0 A 0 ;chain 'A' and (resid 0 through 33 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 0 A 0 ;chain 'A' and (resid 34 through 81 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 0 A 0 ;chain 'A' and (resid 82 through 180 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 A 0 A 0 ;chain 'A' and (resid 181 through 257 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 A 0 A 0 ;chain 'A' and (resid 258 through 349 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 B 0 B 0 ;chain 'B' and (resid 1 through 31 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 B 0 B 0 ;chain 'B' and (resid 32 through 52 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 8 8 B 0 B 0 ;chain 'B' and (resid 53 through 81 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 9 9 B 0 B 0 ;chain 'B' and (resid 82 through 135 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 10 10 B 0 B 0 ;chain 'B' and (resid 136 through 180 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 11 11 B 0 B 0 ;chain 'B' and (resid 181 through 196 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 12 12 B 0 B 0 ;chain 'B' and (resid 197 through 237 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 13 13 B 0 B 0 ;chain 'B' and (resid 238 through 257 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 14 14 B 0 B 0 ;chain 'B' and (resid 258 through 292 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 15 15 B 0 B 0 ;chain 'B' and (resid 293 through 349 ) ; ? ? ? ? ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 MOLREP . ? program 'Alexei Vaguine' alexei@ysbl.york.ac.uk phasing http://www.ccp4.ac.uk/dist/html/molrep.html Fortran_77 ? 4 PHENIX 1.8.2_1309 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 5 PDB_EXTRACT 3.14 'Dec. 10, 2013' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 6 Blu-Ice . ? ? ? ? 'data collection' ? ? ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OD2 A ASP 197 ? ? NZ A LYS 221 ? ? 2.14 2 1 O B TRP 68 ? ? OG1 B THR 72 ? ? 2.15 3 1 NZ B LYS 172 ? ? OD1 B ASP 176 ? ? 2.19 4 1 OG B SER 297 ? ? O B TYR 331 ? ? 2.19 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 136 ? ? 53.83 -144.51 2 1 ASP A 208 ? ? 68.47 -39.76 3 1 HIS A 229 ? ? -97.26 33.44 4 1 TRP A 232 ? ? 64.01 67.60 5 1 ASN A 255 ? ? -79.61 27.89 6 1 THR A 265 ? ? -106.17 61.35 7 1 SER A 315 ? ? -153.75 3.63 8 1 ASN A 347 ? ? -127.76 -169.07 9 1 HIS B 26 ? ? -91.10 35.89 10 1 GLU B 83 ? ? 59.04 74.35 11 1 LYS B 85 ? ? -112.38 62.00 12 1 ASP B 136 ? ? 54.25 -129.48 13 1 GLU B 156 ? ? -95.89 -61.15 14 1 ASP B 197 ? ? -154.36 -159.76 15 1 LEU B 206 ? ? -118.54 78.98 16 1 ASP B 208 ? ? 60.74 -66.44 17 1 ASP B 281 ? ? -56.62 106.66 # 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 ALA -23 ? A ALA 1 2 1 Y 1 A HIS -22 ? A HIS 2 3 1 Y 1 A HIS -21 ? A HIS 3 4 1 Y 1 A HIS -20 ? A HIS 4 5 1 Y 1 A HIS -19 ? A HIS 5 6 1 Y 1 A HIS -18 ? A HIS 6 7 1 Y 1 A HIS -17 ? A HIS 7 8 1 Y 1 A SER -16 ? A SER 8 9 1 Y 1 A SER -15 ? A SER 9 10 1 Y 1 A GLY -14 ? A GLY 10 11 1 Y 1 A VAL -13 ? A VAL 11 12 1 Y 1 A ASP -12 ? A ASP 12 13 1 Y 1 A LEU -11 ? A LEU 13 14 1 Y 1 A GLY -10 ? A GLY 14 15 1 Y 1 A THR -9 ? A THR 15 16 1 Y 1 A GLU -8 ? A GLU 16 17 1 Y 1 A ASN -7 ? A ASN 17 18 1 Y 1 A LEU -6 ? A LEU 18 19 1 Y 1 A TYR -5 ? A TYR 19 20 1 Y 1 A PHE -4 ? A PHE 20 21 1 Y 1 A GLN -3 ? A GLN 21 22 1 Y 1 A SER -2 ? A SER 22 23 1 Y 1 A ASN -1 ? A ASN 23 24 1 Y 1 A TRP 8 ? A TRP 32 25 1 Y 1 A LYS 9 ? A LYS 33 26 1 Y 1 A ASN 10 ? A ASN 34 27 1 Y 1 A PRO 108 ? A PRO 132 28 1 Y 1 A THR 109 ? A THR 133 29 1 Y 1 A GLU 110 ? A GLU 134 30 1 Y 1 A LEU 111 ? A LEU 135 31 1 Y 1 A LYS 112 ? A LYS 136 32 1 Y 1 A TYR 113 ? A TYR 137 33 1 Y 1 A SER 114 ? A SER 138 34 1 Y 1 A TRP 115 ? A TRP 139 35 1 Y 1 A LYS 116 ? A LYS 140 36 1 Y 1 A THR 117 ? A THR 141 37 1 Y 1 A TRP 118 ? A TRP 142 38 1 Y 1 A GLY 119 ? A GLY 143 39 1 Y 1 A LYS 120 ? A LYS 144 40 1 Y 1 A ALA 121 ? A ALA 145 41 1 Y 1 A LYS 122 ? A LYS 146 42 1 Y 1 A MET 123 ? A MET 147 43 1 Y 1 A LEU 124 ? A LEU 148 44 1 Y 1 A SER 125 ? A SER 149 45 1 Y 1 A THR 126 ? A THR 150 46 1 Y 1 A GLU 127 ? A GLU 151 47 1 Y 1 A SER 128 ? A SER 152 48 1 Y 1 A GLY 159 ? A GLY 183 49 1 Y 1 A PHE 160 ? A PHE 184 50 1 Y 1 A GLY 161 ? A GLY 185 51 1 Y 1 A VAL 162 ? A VAL 186 52 1 Y 1 A PHE 163 ? A PHE 187 53 1 Y 1 A THR 164 ? A THR 188 54 1 Y 1 A THR 165 ? A THR 189 55 1 Y 1 A VAL 350 ? A VAL 374 56 1 Y 1 A THR 351 ? A THR 375 57 1 Y 1 A ALA 352 ? A ALA 376 58 1 Y 1 B ALA -23 ? B ALA 1 59 1 Y 1 B HIS -22 ? B HIS 2 60 1 Y 1 B HIS -21 ? B HIS 3 61 1 Y 1 B HIS -20 ? B HIS 4 62 1 Y 1 B HIS -19 ? B HIS 5 63 1 Y 1 B HIS -18 ? B HIS 6 64 1 Y 1 B HIS -17 ? B HIS 7 65 1 Y 1 B SER -16 ? B SER 8 66 1 Y 1 B SER -15 ? B SER 9 67 1 Y 1 B GLY -14 ? B GLY 10 68 1 Y 1 B VAL -13 ? B VAL 11 69 1 Y 1 B ASP -12 ? B ASP 12 70 1 Y 1 B LEU -11 ? B LEU 13 71 1 Y 1 B GLY -10 ? B GLY 14 72 1 Y 1 B THR -9 ? B THR 15 73 1 Y 1 B GLU -8 ? B GLU 16 74 1 Y 1 B ASN -7 ? B ASN 17 75 1 Y 1 B LEU -6 ? B LEU 18 76 1 Y 1 B TYR -5 ? B TYR 19 77 1 Y 1 B PHE -4 ? B PHE 20 78 1 Y 1 B GLN -3 ? B GLN 21 79 1 Y 1 B SER -2 ? B SER 22 80 1 Y 1 B ASN -1 ? B ASN 23 81 1 Y 1 B ALA 0 ? B ALA 24 82 1 Y 1 B GLN 107 ? B GLN 131 83 1 Y 1 B PRO 108 ? B PRO 132 84 1 Y 1 B THR 109 ? B THR 133 85 1 Y 1 B GLU 110 ? B GLU 134 86 1 Y 1 B LEU 111 ? B LEU 135 87 1 Y 1 B LYS 112 ? B LYS 136 88 1 Y 1 B TYR 113 ? B TYR 137 89 1 Y 1 B SER 114 ? B SER 138 90 1 Y 1 B TRP 115 ? B TRP 139 91 1 Y 1 B LYS 116 ? B LYS 140 92 1 Y 1 B THR 117 ? B THR 141 93 1 Y 1 B TRP 118 ? B TRP 142 94 1 Y 1 B GLY 119 ? B GLY 143 95 1 Y 1 B LYS 120 ? B LYS 144 96 1 Y 1 B ALA 121 ? B ALA 145 97 1 Y 1 B LYS 122 ? B LYS 146 98 1 Y 1 B MET 123 ? B MET 147 99 1 Y 1 B LEU 124 ? B LEU 148 100 1 Y 1 B SER 125 ? B SER 149 101 1 Y 1 B THR 126 ? B THR 150 102 1 Y 1 B GLU 127 ? B GLU 151 103 1 Y 1 B SER 128 ? B SER 152 104 1 Y 1 B HIS 129 ? B HIS 153 105 1 Y 1 B ASN 130 ? B ASN 154 106 1 Y 1 B VAL 162 ? B VAL 186 107 1 Y 1 B PHE 163 ? B PHE 187 108 1 Y 1 B VAL 350 ? B VAL 374 109 1 Y 1 B THR 351 ? B THR 375 110 1 Y 1 B ALA 352 ? B ALA 376 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG # _pdbx_reflns_twin.domain_id 1 _pdbx_reflns_twin.crystal_id 1 _pdbx_reflns_twin.diffrn_id 1 _pdbx_reflns_twin.fraction 0.510 _pdbx_reflns_twin.operator h,-h-k,-l _pdbx_reflns_twin.type ? _pdbx_reflns_twin.mean_F_square_over_mean_F2 ? _pdbx_reflns_twin.mean_I2_over_mean_I_square ? #