data_4OM1 # _entry.id 4OM1 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4OM1 RCSB RCSB084662 WWPDB D_1000084662 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4OLU . unspecified PDB 4OLV . unspecified PDB 4OLW . unspecified PDB 4OLX . unspecified PDB 4OLY . unspecified PDB 4OLZ . unspecified PDB 4OM0 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4OM1 _pdbx_database_status.recvd_initial_deposition_date 2014-01-25 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Kwon, Y.D.' 1 'Kwong, P.D.' 2 # _citation.id primary _citation.title 'Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.' _citation.journal_abbrev J.Virol. _citation.journal_volume 88 _citation.page_first 12669 _citation.page_last 12682 _citation.year 2014 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25142607 _citation.pdbx_database_id_DOI 10.1128/JVI.02213-14 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Rudicell, R.S.' 1 primary 'Kwon, Y.D.' 2 primary 'Ko, S.Y.' 3 primary 'Pegu, A.' 4 primary 'Louder, M.K.' 5 primary 'Georgiev, I.S.' 6 primary 'Wu, X.' 7 primary 'Zhu, J.' 8 primary 'Boyington, J.C.' 9 primary 'Chen, X.' 10 primary 'Shi, W.' 11 primary 'Yang, Z.Y.' 12 primary 'Doria-Rose, N.A.' 13 primary 'McKee, K.' 14 primary ;O'Dell, S. ; 15 primary 'Schmidt, S.D.' 16 primary 'Chuang, G.Y.' 17 primary 'Druz, A.' 18 primary 'Soto, C.' 19 primary 'Yang, Y.' 20 primary 'Zhang, B.' 21 primary 'Zhou, T.' 22 primary 'Todd, J.P.' 23 primary 'Lloyd, K.E.' 24 primary 'Eudailey, J.' 25 primary 'Roberts, K.E.' 26 primary 'Donald, B.R.' 27 primary 'Bailer, R.T.' 28 primary 'Ledgerwood, J.' 29 primary 'Mullikin, J.C.' 30 primary 'Shapiro, L.' 31 primary 'Koup, R.A.' 32 primary 'Graham, B.S.' 33 primary 'Nason, M.C.' 34 primary 'Connors, M.' 35 primary 'Haynes, B.F.' 36 primary 'Rao, S.S.' 37 primary 'Roederer, M.' 38 primary 'Kwong, P.D.' 39 primary 'Mascola, J.R.' 40 primary 'Nabel, G.J.' 41 # _cell.entry_id 4OM1 _cell.length_a 68.039 _cell.length_b 76.003 _cell.length_c 199.336 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _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.entry_id 4OM1 _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _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 'Envelope glycoprotein gp160' 39211.434 1 ? ? 'UNP RESIDUES 43-122, 201-303, 325-486' ? 2 polymer man 'Antigen binding fragment of heavy chain: Antibody VRC01' 25095.379 1 ? ? ? ? 3 polymer man 'Antigen binding fragment of light chain: Antibody VRC01' 23102.570 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 10 ? ? ? ? 5 water nat water 18.015 271 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT GGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSEN LTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITM HHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGG ANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE ; ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT GGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSEN LTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITM HHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGG ANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE ; G ? 2 'polypeptide(L)' no no ;QVRLSQSGGQMKKPGDSMRISCRASGYEFQNCPINWIRLAPGKRPEWMGWMKPRWGAVNYARQLQGRVTMTRDMYSETAF LELRSLTSDDTAVYFCTRGKYCTARDYYNWDFEHWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPE PVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC ; ;QVRLSQSGGQMKKPGDSMRISCRASGYEFQNCPINWIRLAPGKRPEWMGWMKPRWGAVNYARQLQGRVTMTRDMYSETAF LELRSLTSDDTAVYFCTRGKYCTARDYYNWDFEHWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPE PVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC ; H ? 3 'polypeptide(L)' no no ;EIVLTQSPGTLSLSPGETAIISCRTSQYGSLAWYQQRPGQAPRLVIYSGSTRAAGIPDRFSGSRWGPDYNLTISNLESGD FGVYYCQQYEFFGQGTKVQVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVT EQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC ; ;EIVLTQSPGTLSLSPGETAIISCRTSQYGSLAWYQQRPGQAPRLVIYSGSTRAAGIPDRFSGSRWGPDYNLTISNLESGD FGVYYCQQYEFFGQGTKVQVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVT EQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC ; L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 VAL n 1 2 TRP n 1 3 LYS n 1 4 ASP n 1 5 ALA n 1 6 ASP n 1 7 THR n 1 8 THR n 1 9 LEU n 1 10 PHE n 1 11 CYS n 1 12 ALA n 1 13 SER n 1 14 ASP n 1 15 ALA n 1 16 LYS n 1 17 ALA n 1 18 HIS n 1 19 GLU n 1 20 THR n 1 21 GLU n 1 22 VAL n 1 23 HIS n 1 24 ASN n 1 25 VAL n 1 26 TRP n 1 27 ALA n 1 28 THR n 1 29 HIS n 1 30 ALA n 1 31 CYS n 1 32 VAL n 1 33 PRO n 1 34 THR n 1 35 ASP n 1 36 PRO n 1 37 ASN n 1 38 PRO n 1 39 GLN n 1 40 GLU n 1 41 ILE n 1 42 HIS n 1 43 LEU n 1 44 GLU n 1 45 ASN n 1 46 VAL n 1 47 THR n 1 48 GLU n 1 49 ASN n 1 50 PHE n 1 51 ASN n 1 52 MET n 1 53 TRP n 1 54 LYS n 1 55 ASN n 1 56 ASN n 1 57 MET n 1 58 VAL n 1 59 GLU n 1 60 GLN n 1 61 MET n 1 62 GLN n 1 63 GLU n 1 64 ASP n 1 65 VAL n 1 66 ILE n 1 67 SER n 1 68 LEU n 1 69 TRP n 1 70 ASP n 1 71 GLN n 1 72 SER n 1 73 LEU n 1 74 GLN n 1 75 PRO n 1 76 CYS n 1 77 VAL n 1 78 LYS n 1 79 LEU n 1 80 THR n 1 81 GLY n 1 82 GLY n 1 83 SER n 1 84 VAL n 1 85 ILE n 1 86 LYS n 1 87 GLN n 1 88 ALA n 1 89 CYS n 1 90 PRO n 1 91 LYS n 1 92 ILE n 1 93 SER n 1 94 PHE n 1 95 ASP n 1 96 PRO n 1 97 ILE n 1 98 PRO n 1 99 ILE n 1 100 HIS n 1 101 TYR n 1 102 CYS n 1 103 THR n 1 104 PRO n 1 105 ALA n 1 106 GLY n 1 107 TYR n 1 108 VAL n 1 109 ILE n 1 110 LEU n 1 111 LYS n 1 112 CYS n 1 113 ASN n 1 114 ASP n 1 115 LYS n 1 116 ASN n 1 117 PHE n 1 118 ASN n 1 119 GLY n 1 120 THR n 1 121 GLY n 1 122 PRO n 1 123 CYS n 1 124 LYS n 1 125 ASN n 1 126 VAL n 1 127 SER n 1 128 SER n 1 129 VAL n 1 130 GLN n 1 131 CYS n 1 132 THR n 1 133 HIS n 1 134 GLY n 1 135 ILE n 1 136 LYS n 1 137 PRO n 1 138 VAL n 1 139 VAL n 1 140 SER n 1 141 THR n 1 142 GLN n 1 143 LEU n 1 144 LEU n 1 145 LEU n 1 146 ASN n 1 147 GLY n 1 148 SER n 1 149 LEU n 1 150 ALA n 1 151 GLU n 1 152 GLU n 1 153 GLU n 1 154 ILE n 1 155 ILE n 1 156 ILE n 1 157 ARG n 1 158 SER n 1 159 GLU n 1 160 ASN n 1 161 LEU n 1 162 THR n 1 163 ASN n 1 164 ASN n 1 165 ALA n 1 166 LYS n 1 167 THR n 1 168 ILE n 1 169 ILE n 1 170 VAL n 1 171 HIS n 1 172 LEU n 1 173 ASN n 1 174 LYS n 1 175 SER n 1 176 VAL n 1 177 GLU n 1 178 ILE n 1 179 ASN n 1 180 CYS n 1 181 THR n 1 182 ARG n 1 183 PRO n 1 184 SER n 1 185 ASN n 1 186 GLY n 1 187 GLY n 1 188 SER n 1 189 GLY n 1 190 SER n 1 191 GLY n 1 192 GLY n 1 193 ASP n 1 194 ILE n 1 195 ARG n 1 196 LYS n 1 197 ALA n 1 198 TYR n 1 199 CYS n 1 200 GLU n 1 201 ILE n 1 202 ASN n 1 203 GLY n 1 204 THR n 1 205 LYS n 1 206 TRP n 1 207 ASN n 1 208 LYS n 1 209 VAL n 1 210 LEU n 1 211 LYS n 1 212 GLN n 1 213 VAL n 1 214 THR n 1 215 GLU n 1 216 LYS n 1 217 LEU n 1 218 LYS n 1 219 GLU n 1 220 HIS n 1 221 PHE n 1 222 ASN n 1 223 ASN n 1 224 LYS n 1 225 THR n 1 226 ILE n 1 227 ILE n 1 228 PHE n 1 229 GLN n 1 230 PRO n 1 231 PRO n 1 232 SER n 1 233 GLY n 1 234 GLY n 1 235 ASP n 1 236 LEU n 1 237 GLU n 1 238 ILE n 1 239 THR n 1 240 MET n 1 241 HIS n 1 242 HIS n 1 243 PHE n 1 244 ASN n 1 245 CYS n 1 246 ARG n 1 247 GLY n 1 248 GLU n 1 249 PHE n 1 250 PHE n 1 251 TYR n 1 252 CYS n 1 253 ASN n 1 254 THR n 1 255 THR n 1 256 GLN n 1 257 LEU n 1 258 PHE n 1 259 ASN n 1 260 ASN n 1 261 THR n 1 262 CYS n 1 263 ILE n 1 264 GLY n 1 265 ASN n 1 266 GLU n 1 267 THR n 1 268 MET n 1 269 LYS n 1 270 GLY n 1 271 CYS n 1 272 ASN n 1 273 GLY n 1 274 THR n 1 275 ILE n 1 276 THR n 1 277 LEU n 1 278 PRO n 1 279 CYS n 1 280 LYS n 1 281 ILE n 1 282 LYS n 1 283 GLN n 1 284 ILE n 1 285 ILE n 1 286 ASN n 1 287 MET n 1 288 TRP n 1 289 GLN n 1 290 GLY n 1 291 THR n 1 292 GLY n 1 293 GLN n 1 294 ALA n 1 295 MET n 1 296 TYR n 1 297 ALA n 1 298 PRO n 1 299 PRO n 1 300 ILE n 1 301 ASP n 1 302 GLY n 1 303 LYS n 1 304 ILE n 1 305 ASN n 1 306 CYS n 1 307 VAL n 1 308 SER n 1 309 ASN n 1 310 ILE n 1 311 THR n 1 312 GLY n 1 313 ILE n 1 314 LEU n 1 315 LEU n 1 316 THR n 1 317 ARG n 1 318 ASP n 1 319 GLY n 1 320 GLY n 1 321 ALA n 1 322 ASN n 1 323 ASN n 1 324 THR n 1 325 SER n 1 326 ASN n 1 327 GLU n 1 328 THR n 1 329 PHE n 1 330 ARG n 1 331 PRO n 1 332 GLY n 1 333 GLY n 1 334 GLY n 1 335 ASN n 1 336 ILE n 1 337 LYS n 1 338 ASP n 1 339 ASN n 1 340 TRP n 1 341 ARG n 1 342 SER n 1 343 GLU n 1 344 LEU n 1 345 TYR n 1 346 LYS n 1 347 TYR n 1 348 LYS n 1 349 VAL n 1 350 VAL n 1 351 GLN n 1 352 ILE n 1 353 GLU n 2 1 GLN n 2 2 VAL n 2 3 ARG n 2 4 LEU n 2 5 SER n 2 6 GLN n 2 7 SER n 2 8 GLY n 2 9 GLY n 2 10 GLN n 2 11 MET n 2 12 LYS n 2 13 LYS n 2 14 PRO n 2 15 GLY n 2 16 ASP n 2 17 SER n 2 18 MET n 2 19 ARG n 2 20 ILE n 2 21 SER n 2 22 CYS n 2 23 ARG n 2 24 ALA n 2 25 SER n 2 26 GLY n 2 27 TYR n 2 28 GLU n 2 29 PHE n 2 30 GLN n 2 31 ASN n 2 32 CYS n 2 33 PRO n 2 34 ILE n 2 35 ASN n 2 36 TRP n 2 37 ILE n 2 38 ARG n 2 39 LEU n 2 40 ALA n 2 41 PRO n 2 42 GLY n 2 43 LYS n 2 44 ARG n 2 45 PRO n 2 46 GLU n 2 47 TRP n 2 48 MET n 2 49 GLY n 2 50 TRP n 2 51 MET n 2 52 LYS n 2 53 PRO n 2 54 ARG n 2 55 TRP n 2 56 GLY n 2 57 ALA n 2 58 VAL n 2 59 ASN n 2 60 TYR n 2 61 ALA n 2 62 ARG n 2 63 GLN n 2 64 LEU n 2 65 GLN n 2 66 GLY n 2 67 ARG n 2 68 VAL n 2 69 THR n 2 70 MET n 2 71 THR n 2 72 ARG n 2 73 ASP n 2 74 MET n 2 75 TYR n 2 76 SER n 2 77 GLU n 2 78 THR n 2 79 ALA n 2 80 PHE n 2 81 LEU n 2 82 GLU n 2 83 LEU n 2 84 ARG n 2 85 SER n 2 86 LEU n 2 87 THR n 2 88 SER n 2 89 ASP n 2 90 ASP n 2 91 THR n 2 92 ALA n 2 93 VAL n 2 94 TYR n 2 95 PHE n 2 96 CYS n 2 97 THR n 2 98 ARG n 2 99 GLY n 2 100 LYS n 2 101 TYR n 2 102 CYS n 2 103 THR n 2 104 ALA n 2 105 ARG n 2 106 ASP n 2 107 TYR n 2 108 TYR n 2 109 ASN n 2 110 TRP n 2 111 ASP n 2 112 PHE n 2 113 GLU n 2 114 HIS n 2 115 TRP n 2 116 GLY n 2 117 GLN n 2 118 GLY n 2 119 THR n 2 120 PRO n 2 121 VAL n 2 122 THR n 2 123 VAL n 2 124 SER n 2 125 SER n 2 126 ALA n 2 127 SER n 2 128 THR n 2 129 LYS n 2 130 GLY n 2 131 PRO n 2 132 SER n 2 133 VAL n 2 134 PHE n 2 135 PRO n 2 136 LEU n 2 137 ALA n 2 138 PRO n 2 139 SER n 2 140 SER n 2 141 LYS n 2 142 SER n 2 143 THR n 2 144 SER n 2 145 GLY n 2 146 GLY n 2 147 THR n 2 148 ALA n 2 149 ALA n 2 150 LEU n 2 151 GLY n 2 152 CYS n 2 153 LEU n 2 154 VAL n 2 155 LYS n 2 156 ASP n 2 157 TYR n 2 158 PHE n 2 159 PRO n 2 160 GLU n 2 161 PRO n 2 162 VAL n 2 163 THR n 2 164 VAL n 2 165 SER n 2 166 TRP n 2 167 ASN n 2 168 SER n 2 169 GLY n 2 170 ALA n 2 171 LEU n 2 172 THR n 2 173 SER n 2 174 GLY n 2 175 VAL n 2 176 HIS n 2 177 THR n 2 178 PHE n 2 179 PRO n 2 180 ALA n 2 181 VAL n 2 182 LEU n 2 183 GLN n 2 184 SER n 2 185 SER n 2 186 GLY n 2 187 LEU n 2 188 TYR n 2 189 SER n 2 190 LEU n 2 191 SER n 2 192 SER n 2 193 VAL n 2 194 VAL n 2 195 THR n 2 196 VAL n 2 197 PRO n 2 198 SER n 2 199 SER n 2 200 SER n 2 201 LEU n 2 202 GLY n 2 203 THR n 2 204 GLN n 2 205 THR n 2 206 TYR n 2 207 ILE n 2 208 CYS n 2 209 ASN n 2 210 VAL n 2 211 ASN n 2 212 HIS n 2 213 LYS n 2 214 PRO n 2 215 SER n 2 216 ASN n 2 217 THR n 2 218 LYS n 2 219 VAL n 2 220 ASP n 2 221 LYS n 2 222 LYS n 2 223 VAL n 2 224 GLU n 2 225 PRO n 2 226 LYS n 2 227 SER n 2 228 CYS n 3 1 GLU n 3 2 ILE n 3 3 VAL n 3 4 LEU n 3 5 THR n 3 6 GLN n 3 7 SER n 3 8 PRO n 3 9 GLY n 3 10 THR n 3 11 LEU n 3 12 SER n 3 13 LEU n 3 14 SER n 3 15 PRO n 3 16 GLY n 3 17 GLU n 3 18 THR n 3 19 ALA n 3 20 ILE n 3 21 ILE n 3 22 SER n 3 23 CYS n 3 24 ARG n 3 25 THR n 3 26 SER n 3 27 GLN n 3 28 TYR n 3 29 GLY n 3 30 SER n 3 31 LEU n 3 32 ALA n 3 33 TRP n 3 34 TYR n 3 35 GLN n 3 36 GLN n 3 37 ARG n 3 38 PRO n 3 39 GLY n 3 40 GLN n 3 41 ALA n 3 42 PRO n 3 43 ARG n 3 44 LEU n 3 45 VAL n 3 46 ILE n 3 47 TYR n 3 48 SER n 3 49 GLY n 3 50 SER n 3 51 THR n 3 52 ARG n 3 53 ALA n 3 54 ALA n 3 55 GLY n 3 56 ILE n 3 57 PRO n 3 58 ASP n 3 59 ARG n 3 60 PHE n 3 61 SER n 3 62 GLY n 3 63 SER n 3 64 ARG n 3 65 TRP n 3 66 GLY n 3 67 PRO n 3 68 ASP n 3 69 TYR n 3 70 ASN n 3 71 LEU n 3 72 THR n 3 73 ILE n 3 74 SER n 3 75 ASN n 3 76 LEU n 3 77 GLU n 3 78 SER n 3 79 GLY n 3 80 ASP n 3 81 PHE n 3 82 GLY n 3 83 VAL n 3 84 TYR n 3 85 TYR n 3 86 CYS n 3 87 GLN n 3 88 GLN n 3 89 TYR n 3 90 GLU n 3 91 PHE n 3 92 PHE n 3 93 GLY n 3 94 GLN n 3 95 GLY n 3 96 THR n 3 97 LYS n 3 98 VAL n 3 99 GLN n 3 100 VAL n 3 101 ASP n 3 102 ILE n 3 103 LYS n 3 104 ARG n 3 105 THR n 3 106 VAL n 3 107 ALA n 3 108 ALA n 3 109 PRO n 3 110 SER n 3 111 VAL n 3 112 PHE n 3 113 ILE n 3 114 PHE n 3 115 PRO n 3 116 PRO n 3 117 SER n 3 118 ASP n 3 119 GLU n 3 120 GLN n 3 121 LEU n 3 122 LYS n 3 123 SER n 3 124 GLY n 3 125 THR n 3 126 ALA n 3 127 SER n 3 128 VAL n 3 129 VAL n 3 130 CYS n 3 131 LEU n 3 132 LEU n 3 133 ASN n 3 134 ASN n 3 135 PHE n 3 136 TYR n 3 137 PRO n 3 138 ARG n 3 139 GLU n 3 140 ALA n 3 141 LYS n 3 142 VAL n 3 143 GLN n 3 144 TRP n 3 145 LYS n 3 146 VAL n 3 147 ASP n 3 148 ASN n 3 149 ALA n 3 150 LEU n 3 151 GLN n 3 152 SER n 3 153 GLY n 3 154 ASN n 3 155 SER n 3 156 GLN n 3 157 GLU n 3 158 SER n 3 159 VAL n 3 160 THR n 3 161 GLU n 3 162 GLN n 3 163 ASP n 3 164 SER n 3 165 LYS n 3 166 ASP n 3 167 SER n 3 168 THR n 3 169 TYR n 3 170 SER n 3 171 LEU n 3 172 SER n 3 173 SER n 3 174 THR n 3 175 LEU n 3 176 THR n 3 177 LEU n 3 178 SER n 3 179 LYS n 3 180 ALA n 3 181 ASP n 3 182 TYR n 3 183 GLU n 3 184 LYS n 3 185 HIS n 3 186 LYS n 3 187 VAL n 3 188 TYR n 3 189 ALA n 3 190 CYS n 3 191 GLU n 3 192 VAL n 3 193 THR n 3 194 HIS n 3 195 GLN n 3 196 GLY n 3 197 LEU n 3 198 SER n 3 199 SER n 3 200 PRO n 3 201 VAL n 3 202 THR n 3 203 LYS n 3 204 SER n 3 205 PHE n 3 206 ASN n 3 207 ARG n 3 208 GLY n 3 209 GLU n 3 210 CYS n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _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 _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? 1 80 ? ? 'Env, pol' ? 93TH057 ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? '293F cells' ? ? ? ? ? ? ? Plasmid ? ? ? pVRC8400 ? 'HIV-1 gp120 with leader sequence' 1 3 sample ? 192 353 ? ? 'Env, pol' ? 93TH057 ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? '293F cells' ? ? ? ? ? ? ? Plasmid ? ? ? pVRC8400 ? 'HIV-1 gp120 with leader sequence' 1 2 sample ? 83 185 ? ? 'Env, pol' ? 93TH057 ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? '293F cells' ? ? ? ? ? ? ? Plasmid ? ? ? pVRC8400 ? 'HIV-1 gp120 with leader sequence' 2 1 sample ? ? ? ? ? 'Heavy chain' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? '293F cells' ? ? ? ? ? ? ? Plasmid ? ? ? pVRC8400 ? 'Codon-optimized human antibody heavy chain of VRC01' 3 1 sample ? ? ? ? ? 'Light chain' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? '293F cells' ? ? ? ? ? ? ? Plasmid ? ? ? pVRC8400 ? 'Codon-optimized human antibody light chain of VRC01' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP B1NCW8_9HIV1 Q0ED31 1 ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT ; 43 ? 2 UNP B1NCW8_9HIV1 Q0ED31 1 ;SVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLT NNAKTIIVHLNKSVEINCTRPSN ; 201 ? 3 UNP B1NCW8_9HIV1 Q0ED31 1 ;GDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGC NGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQ IE ; 325 ? 4 PDB 4OM1 4OM1 2 ? ? ? 5 PDB 4OM1 4OM1 3 ? ? ? # 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 4OM1 G 1 ? 80 ? Q0ED31 43 ? 122 ? 44 123 2 2 4OM1 G 83 ? 185 ? Q0ED31 201 ? 303 ? 199 301 3 3 4OM1 G 192 ? 353 ? Q0ED31 325 ? 486 ? 324 492 4 4 4OM1 H 1 ? 228 ? 4OM1 1 ? 216 ? 1 216 5 5 4OM1 L 1 ? 210 ? 4OM1 1 ? 216 ? 1 216 # 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 4OM1 GLY G 81 ? UNP Q0ED31 ? ? LINKER 124 1 1 4OM1 GLY G 82 ? UNP Q0ED31 ? ? LINKER 198 2 2 4OM1 GLY G 186 ? UNP Q0ED31 ? ? LINKER 318 3 2 4OM1 GLY G 187 ? UNP Q0ED31 ? ? LINKER 319 4 2 4OM1 SER G 188 ? UNP Q0ED31 ? ? LINKER 320 5 2 4OM1 GLY G 189 ? UNP Q0ED31 ? ? LINKER 321 6 2 4OM1 SER G 190 ? UNP Q0ED31 ? ? LINKER 322 7 2 4OM1 GLY G 191 ? UNP Q0ED31 ? ? LINKER 323 8 # 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 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4OM1 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.95 _exptl_crystal.density_percent_sol 58.27 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '14% PEG 4000, 0.2M Sodium Acetate, 0.1M Tris 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' # _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 mm CCD' _diffrn_detector.pdbx_collection_date 2012-03-21 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 22-ID' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 22-ID _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4OM1 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 40.0 _reflns.d_resolution_high 2.13 _reflns.number_obs 53152 _reflns.number_all 58601 _reflns.percent_possible_obs 90.7 _reflns.pdbx_Rmerge_I_obs 0.091 _reflns.pdbx_Rsym_value 0.085 _reflns.pdbx_netI_over_sigmaI 23.1 _reflns.B_iso_Wilson_estimate 41.3 _reflns.pdbx_redundancy 7.7 _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_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.13 _reflns_shell.d_res_low 2.17 _reflns_shell.percent_possible_all 50.7 _reflns_shell.Rmerge_I_obs 0.444 _reflns_shell.pdbx_Rsym_value 0.407 _reflns_shell.meanI_over_sigI_obs 2.3 _reflns_shell.pdbx_redundancy 3.8 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4OM1 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 53056 _refine.ls_number_reflns_all 58593 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 38.002 _refine.ls_d_res_high 2.131 _refine.ls_percent_reflns_obs 90.55 _refine.ls_R_factor_obs 0.1919 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1905 _refine.ls_R_factor_R_free 0.2255 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.77 _refine.ls_number_reflns_R_free 2000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 55.1 _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.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB entry 3NGB' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.23 _refine.pdbx_overall_phase_error 26.81 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6071 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 140 _refine_hist.number_atoms_solvent 271 _refine_hist.number_atoms_total 6482 _refine_hist.d_res_high 2.131 _refine_hist.d_res_low 38.002 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.003 ? ? 6386 'X-RAY DIFFRACTION' ? f_angle_d 0.725 ? ? 8672 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 11.424 ? ? 2316 'X-RAY DIFFRACTION' ? f_chiral_restr 0.031 ? ? 982 'X-RAY DIFFRACTION' ? f_plane_restr 0.003 ? ? 1114 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.131 2.1848 2077 0.2416 53.00 0.3197 . . 82 . . . . 'X-RAY DIFFRACTION' . 2.1848 2.2438 2633 0.2219 66.00 0.2577 . . 103 . . . . 'X-RAY DIFFRACTION' . 2.2438 2.3099 3023 0.2199 76.00 0.2631 . . 118 . . . . 'X-RAY DIFFRACTION' . 2.3099 2.3844 3352 0.2197 84.00 0.2764 . . 131 . . . . 'X-RAY DIFFRACTION' . 2.3844 2.4696 3646 0.2138 92.00 0.2713 . . 143 . . . . 'X-RAY DIFFRACTION' . 2.4696 2.5685 3864 0.2155 97.00 0.2685 . . 152 . . . . 'X-RAY DIFFRACTION' . 2.5685 2.6853 3950 0.2114 99.00 0.2800 . . 154 . . . . 'X-RAY DIFFRACTION' . 2.6853 2.8269 4004 0.2209 100.00 0.2686 . . 157 . . . . 'X-RAY DIFFRACTION' . 2.8269 3.0039 3990 0.2157 100.00 0.2818 . . 156 . . . . 'X-RAY DIFFRACTION' . 3.0039 3.2357 4033 0.2057 100.00 0.2510 . . 159 . . . . 'X-RAY DIFFRACTION' . 3.2357 3.5611 4046 0.1961 100.00 0.2169 . . 157 . . . . 'X-RAY DIFFRACTION' . 3.5611 4.0759 4060 0.1792 100.00 0.2188 . . 160 . . . . 'X-RAY DIFFRACTION' . 4.0759 5.1332 4106 0.1584 100.00 0.1881 . . 161 . . . . 'X-RAY DIFFRACTION' . 5.1332 38.0075 4272 0.1807 99.00 0.1888 . . 167 . . . . # _struct.entry_id 4OM1 _struct.title 'Crystal structure of antibody VRC07-I30Q, G54W, S58N in complex with clade A/E 93TH057 HIV-1 gp120 core' _struct.pdbx_descriptor ;Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01 ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4OM1 _struct_keywords.pdbx_keywords 'VIRAL PROTEIN/IMMUNE SYSTEM' _struct_keywords.text ;VRC07 antibody, Passive transfer, Neutralization, In vivo protection, Autoreactivity, Lentiviral infection, Enhanced potency, HIV-1 gp120, VRC07-I30Q, VIRAL PROTEIN-IMMUNE SYSTEM complex ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 4 ? N N N 5 ? O N N 5 ? P N N 5 ? # _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 GLU A 21 ? ALA A 30 ? GLU G 64 ALA G 73 1 ? 10 HELX_P HELX_P2 2 TRP A 53 ? ASN A 55 ? TRP G 96 ASN G 98 5 ? 3 HELX_P HELX_P3 3 ASN A 56 ? GLN A 71 ? ASN G 99 GLN G 114 1 ? 16 HELX_P HELX_P4 4 GLY A 203 ? PHE A 221 ? GLY G 335 PHE G 353 1 ? 19 HELX_P HELX_P5 5 ASP A 235 ? MET A 240 ? ASP G 368 MET G 373 1 ? 6 HELX_P HELX_P6 6 THR A 254 ? ASN A 259 ? THR G 387 ASN G 392 5 ? 6 HELX_P HELX_P7 7 ILE A 336 ? TYR A 345 ? ILE G 475 TYR G 484 1 ? 10 HELX_P HELX_P8 8 GLU B 28 ? CYS B 32 ? GLU H 28 CYS H 32 5 ? 5 HELX_P HELX_P9 9 ARG B 62 ? GLN B 65 ? ARG H 61 GLN H 64 5 ? 4 HELX_P HELX_P10 10 THR B 87 ? THR B 91 ? THR H 83 THR H 87 5 ? 5 HELX_P HELX_P11 11 SER B 168 ? ALA B 170 ? SER H 156 ALA H 158 5 ? 3 HELX_P HELX_P12 12 SER B 199 ? LEU B 201 ? SER H 187 LEU H 189 5 ? 3 HELX_P HELX_P13 13 LYS B 213 ? ASN B 216 ? LYS H 201 ASN H 204 5 ? 4 HELX_P HELX_P14 14 GLU C 77 ? PHE C 81 ? GLU L 79 PHE L 83 5 ? 5 HELX_P HELX_P15 15 SER C 117 ? LYS C 122 ? SER L 123 LYS L 128 1 ? 6 HELX_P HELX_P16 16 LYS C 179 ? GLU C 183 ? LYS L 185 GLU L 189 1 ? 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 11 SG ? ? ? 1_555 A CYS 31 SG ? ? G CYS 54 G CYS 74 1_555 ? ? ? ? ? ? ? 2.034 ? disulf2 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 89 SG ? ? G CYS 119 G CYS 205 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 102 SG ? ? ? 1_555 A CYS 131 SG ? ? G CYS 218 G CYS 247 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? A CYS 112 SG ? ? ? 1_555 A CYS 123 SG ? ? G CYS 228 G CYS 239 1_555 ? ? ? ? ? ? ? 2.036 ? disulf5 disulf ? ? A CYS 180 SG ? ? ? 1_555 A CYS 199 SG ? ? G CYS 296 G CYS 331 1_555 ? ? ? ? ? ? ? 2.033 ? disulf6 disulf ? ? A CYS 245 SG ? ? ? 1_555 A CYS 306 SG ? ? G CYS 378 G CYS 445 1_555 ? ? ? ? ? ? ? 2.033 ? disulf7 disulf ? ? A CYS 252 SG ? ? ? 1_555 A CYS 279 SG ? ? G CYS 385 G CYS 418 1_555 ? ? ? ? ? ? ? 2.034 ? disulf8 disulf ? ? A CYS 262 SG ? ? ? 1_555 A CYS 271 SG ? ? G CYS 395 G CYS 410 1_555 ? ? ? ? ? ? ? 2.033 ? disulf9 disulf ? ? B CYS 22 SG ? ? ? 1_555 B CYS 96 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.044 ? disulf10 disulf ? ? B CYS 32 SG ? ? ? 1_555 B CYS 102 SG ? ? H CYS 32 H CYS 98 1_555 ? ? ? ? ? ? ? 2.025 ? disulf11 disulf ? ? B CYS 152 SG ? ? ? 1_555 B CYS 208 SG ? ? H CYS 140 H CYS 196 1_555 ? ? ? ? ? ? ? 2.032 ? disulf12 disulf ? ? B CYS 228 SG ? ? ? 1_555 C CYS 210 SG ? ? H CYS 216 L CYS 216 1_555 ? ? ? ? ? ? ? 2.031 ? disulf13 disulf ? ? C CYS 23 SG ? ? ? 1_555 C CYS 86 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.047 ? disulf14 disulf ? ? C CYS 130 SG ? ? ? 1_555 C CYS 190 SG ? ? L CYS 136 L CYS 196 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale ? ? A ASN 309 ND2 ? ? ? 1_555 M NAG . C1 ? ? G ASN 448 G NAG 510 1_555 ? ? ? ? ? ? ? 1.430 ? covale2 covale ? ? A ASN 160 ND2 ? ? ? 1_555 G NAG . C1 ? ? G ASN 276 G NAG 504 1_555 ? ? ? ? ? ? ? 1.432 ? covale3 covale ? ? A ASN 253 ND2 ? ? ? 1_555 K NAG . C1 ? ? G ASN 386 G NAG 508 1_555 ? ? ? ? ? ? ? 1.433 ? covale4 covale ? ? A ASN 125 ND2 ? ? ? 1_555 E NAG . C1 ? ? G ASN 241 G NAG 502 1_555 ? ? ? ? ? ? ? 1.433 ? covale5 covale ? ? A ASN 118 ND2 ? ? ? 1_555 D NAG . C1 ? ? G ASN 234 G NAG 501 1_555 ? ? ? ? ? ? ? 1.436 ? covale6 covale ? ? A ASN 202 ND2 ? ? ? 1_555 J NAG . C1 ? ? G ASN 334 G NAG 507 1_555 ? ? ? ? ? ? ? 1.437 ? covale7 covale ? ? A ASN 179 ND2 ? ? ? 1_555 I NAG . C1 ? ? G ASN 295 G NAG 506 1_555 ? ? ? ? ? ? ? 1.438 ? covale8 covale ? ? A ASN 259 ND2 ? ? ? 1_555 L NAG . C1 ? ? G ASN 392 G NAG 509 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale ? ? A ASN 173 ND2 ? ? ? 1_555 H NAG . C1 ? ? G ASN 289 G NAG 505 1_555 ? ? ? ? ? ? ? 1.441 ? covale10 covale ? ? A ASN 146 ND2 ? ? ? 1_555 F NAG . C1 ? ? G ASN 262 G NAG 503 1_555 ? ? ? ? ? ? ? 1.441 ? # 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 PHE 158 B . ? PHE 146 H PRO 159 B ? PRO 147 H 1 -6.25 2 GLU 160 B . ? GLU 148 H PRO 161 B ? PRO 149 H 1 -2.60 3 SER 7 C . ? SER 7 L PRO 8 C ? PRO 8 L 1 -3.38 4 TYR 136 C . ? TYR 142 L PRO 137 C ? PRO 143 L 1 1.30 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 3 ? C ? 2 ? D ? 4 ? E ? 5 ? F ? 7 ? G ? 4 ? H ? 6 ? I ? 4 ? J ? 2 ? K ? 4 ? L ? 4 ? M ? 3 ? N ? 4 ? O ? 6 ? P ? 4 ? Q ? 4 ? R ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense 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 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 4 5 ? parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 4 5 ? anti-parallel F 5 6 ? anti-parallel F 6 7 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel H 5 6 ? anti-parallel I 1 2 ? parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel J 1 2 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel M 1 2 ? anti-parallel M 2 3 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel O 1 2 ? parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel O 4 5 ? anti-parallel O 5 6 ? anti-parallel P 1 2 ? parallel P 2 3 ? anti-parallel P 3 4 ? anti-parallel Q 1 2 ? anti-parallel Q 2 3 ? anti-parallel Q 3 4 ? anti-parallel R 1 2 ? anti-parallel R 2 3 ? anti-parallel R 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TRP A 2 ? ASP A 4 ? TRP G 45 ASP G 47 A 2 TYR A 347 ? ILE A 352 ? TYR G 486 ILE G 491 A 3 TYR A 107 ? CYS A 112 ? TYR G 223 CYS G 228 A 4 VAL A 126 ? VAL A 129 ? VAL G 242 VAL G 245 A 5 ILE A 41 ? LEU A 43 ? ILE G 84 LEU G 86 B 1 CYS A 31 ? PRO A 33 ? CYS G 74 PRO G 76 B 2 PHE A 10 ? SER A 13 ? PHE G 53 SER G 56 B 3 HIS A 100 ? CYS A 102 ? HIS G 216 CYS G 218 C 1 GLU A 48 ? ASN A 51 ? GLU G 91 ASN G 94 C 2 THR A 120 ? CYS A 123 ? THR G 236 CYS G 239 D 1 SER A 83 ? LYS A 86 ? SER G 199 LYS G 202 D 2 VAL A 77 ? THR A 80 ? VAL G 120 THR G 123 D 3 GLN A 293 ? MET A 295 ? GLN G 432 MET G 434 D 4 ILE A 284 ? ASN A 286 ? ILE G 423 ASN G 425 E 1 LEU A 143 ? LEU A 145 ? LEU G 259 LEU G 261 E 2 ILE A 304 ? ARG A 317 ? ILE G 443 ARG G 456 E 3 ILE A 168 ? ARG A 182 ? ILE G 284 ARG G 298 E 4 ASN A 326 ? PRO A 331 ? ASN G 465 PRO G 470 E 5 THR A 225 ? PHE A 228 ? THR G 358 PHE G 361 F 1 ILE A 155 ? ARG A 157 ? ILE G 271 ARG G 273 F 2 ILE A 168 ? ARG A 182 ? ILE G 284 ARG G 298 F 3 ILE A 304 ? ARG A 317 ? ILE G 443 ARG G 456 F 4 LYS A 196 ? ASN A 202 ? LYS G 328 ASN G 334 F 5 THR A 274 ? ILE A 281 ? THR G 413 ILE G 420 F 6 GLU A 248 ? CYS A 252 ? GLU G 381 CYS G 385 F 7 HIS A 241 ? CYS A 245 ? HIS G 374 CYS G 378 G 1 ARG B 3 ? GLN B 6 ? ARG H 3 GLN H 6 G 2 MET B 18 ? SER B 25 ? MET H 18 SER H 25 G 3 THR B 78 ? LEU B 83 ? THR H 77 LEU H 82 G 4 VAL B 68 ? ASP B 73 ? VAL H 67 ASP H 72 H 1 GLN B 10 ? LYS B 12 ? GLN H 10 LYS H 12 H 2 THR B 119 ? VAL B 123 ? THR H 107 VAL H 111 H 3 ALA B 92 ? ARG B 98 ? ALA H 88 ARG H 94 H 4 ILE B 34 ? LEU B 39 ? ILE H 34 LEU H 39 H 5 GLU B 46 ? LYS B 52 ? GLU H 46 LYS H 52 H 6 ALA B 57 ? TYR B 60 ? ALA H 56 TYR H 59 I 1 GLN B 10 ? LYS B 12 ? GLN H 10 LYS H 12 I 2 THR B 119 ? VAL B 123 ? THR H 107 VAL H 111 I 3 ALA B 92 ? ARG B 98 ? ALA H 88 ARG H 94 I 4 HIS B 114 ? TRP B 115 ? HIS H 102 TRP H 103 J 1 TYR B 101 ? CYS B 102 ? TYR H 97 CYS H 98 J 2 TYR B 107 C TYR B 108 D TYR H 100 TYR H 100 K 1 SER B 132 ? LEU B 136 ? SER H 120 LEU H 124 K 2 THR B 147 ? TYR B 157 ? THR H 135 TYR H 145 K 3 TYR B 188 ? PRO B 197 ? TYR H 176 PRO H 185 K 4 VAL B 175 ? THR B 177 ? VAL H 163 THR H 165 L 1 SER B 132 ? LEU B 136 ? SER H 120 LEU H 124 L 2 THR B 147 ? TYR B 157 ? THR H 135 TYR H 145 L 3 TYR B 188 ? PRO B 197 ? TYR H 176 PRO H 185 L 4 VAL B 181 ? LEU B 182 ? VAL H 169 LEU H 170 M 1 THR B 163 ? TRP B 166 ? THR H 151 TRP H 154 M 2 ILE B 207 ? HIS B 212 ? ILE H 195 HIS H 200 M 3 THR B 217 ? LYS B 222 ? THR H 205 LYS H 210 N 1 LEU C 4 ? SER C 7 ? LEU L 4 SER L 7 N 2 ALA C 19 ? THR C 25 ? ALA L 19 THR L 25 N 3 ASP C 68 ? ILE C 73 ? ASP L 70 ILE L 75 N 4 PHE C 60 ? TRP C 65 ? PHE L 62 TRP L 67 O 1 THR C 10 ? LEU C 13 ? THR L 10 LEU L 13 O 2 THR C 96 ? VAL C 100 ? THR L 102 VAL L 106 O 3 GLY C 82 ? GLN C 88 ? GLY L 84 GLN L 90 O 4 LEU C 31 ? GLN C 36 ? LEU L 33 GLN L 38 O 5 ARG C 43 ? TYR C 47 ? ARG L 45 TYR L 49 O 6 THR C 51 ? ARG C 52 ? THR L 53 ARG L 54 P 1 THR C 10 ? LEU C 13 ? THR L 10 LEU L 13 P 2 THR C 96 ? VAL C 100 ? THR L 102 VAL L 106 P 3 GLY C 82 ? GLN C 88 ? GLY L 84 GLN L 90 P 4 PHE C 91 ? PHE C 92 ? PHE L 97 PHE L 98 Q 1 SER C 110 ? PHE C 114 ? SER L 116 PHE L 120 Q 2 THR C 125 ? PHE C 135 ? THR L 131 PHE L 141 Q 3 TYR C 169 ? SER C 178 ? TYR L 175 SER L 184 Q 4 SER C 155 ? VAL C 159 ? SER L 161 VAL L 165 R 1 ALA C 149 ? LEU C 150 ? ALA L 155 LEU L 156 R 2 LYS C 141 ? VAL C 146 ? LYS L 147 VAL L 152 R 3 VAL C 187 ? THR C 193 ? VAL L 193 THR L 199 R 4 VAL C 201 ? ASN C 206 ? VAL L 207 ASN L 212 # 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 LYS A 3 ? N LYS G 46 O GLN A 351 ? O GLN G 490 A 2 3 O LYS A 348 ? O LYS G 487 N LEU A 110 ? N LEU G 226 A 3 4 N LYS A 111 ? N LYS G 227 O SER A 127 ? O SER G 243 A 4 5 O VAL A 126 ? O VAL G 242 N LEU A 43 ? N LEU G 86 B 1 2 O VAL A 32 ? O VAL G 75 N CYS A 11 ? N CYS G 54 B 2 3 N ALA A 12 ? N ALA G 55 O HIS A 100 ? O HIS G 216 C 1 2 N PHE A 50 ? N PHE G 93 O GLY A 121 ? O GLY G 237 D 1 2 O ILE A 85 ? O ILE G 201 N LYS A 78 ? N LYS G 121 D 2 3 N LEU A 79 ? N LEU G 122 O GLN A 293 ? O GLN G 432 D 3 4 O ALA A 294 ? O ALA G 433 N ILE A 285 ? N ILE G 424 E 1 2 N LEU A 144 ? N LEU G 260 O GLY A 312 ? O GLY G 451 E 2 3 O ILE A 304 ? O ILE G 443 N ARG A 182 ? N ARG G 298 E 4 5 O PHE A 329 ? O PHE G 468 N ILE A 227 ? N ILE G 360 F 1 2 N ARG A 157 ? N ARG G 273 O ILE A 169 ? O ILE G 285 F 2 3 N ARG A 182 ? N ARG G 298 O ILE A 304 ? O ILE G 443 F 4 5 N ILE A 201 ? N ILE G 333 O ILE A 275 ? O ILE G 414 F 5 6 O LYS A 280 ? O LYS G 419 N TYR A 251 ? N TYR G 384 F 6 7 O CYS A 252 ? O CYS G 385 N HIS A 241 ? N HIS G 374 G 1 2 N SER B 5 ? N SER H 5 O ARG B 23 ? O ARG H 23 G 2 3 N CYS B 22 ? N CYS H 22 O ALA B 79 ? O ALA H 78 G 3 4 O PHE B 80 ? O PHE H 79 N THR B 71 ? N THR H 70 H 1 2 N LYS B 12 ? N LYS H 12 O THR B 122 ? O THR H 110 H 2 3 O VAL B 121 ? O VAL H 109 N ALA B 92 ? N ALA H 88 H 3 4 O PHE B 95 ? O PHE H 91 N ILE B 37 ? N ILE H 37 H 4 5 N TRP B 36 ? N TRP H 36 O MET B 48 ? O MET H 48 H 5 6 N LYS B 52 ? N LYS H 52 O ALA B 57 ? O ALA H 56 I 1 2 N LYS B 12 ? N LYS H 12 O THR B 122 ? O THR H 110 I 2 3 O VAL B 121 ? O VAL H 109 N ALA B 92 ? N ALA H 88 I 3 4 N ARG B 98 ? N ARG H 94 O HIS B 114 ? O HIS H 102 J 1 2 N TYR B 101 ? N TYR H 97 O TYR B 108 D O TYR H 100 K 1 2 N LEU B 136 ? N LEU H 124 O GLY B 151 ? O GLY H 139 K 2 3 N ALA B 148 ? N ALA H 136 O VAL B 196 ? O VAL H 184 K 3 4 O VAL B 193 ? O VAL H 181 N HIS B 176 ? N HIS H 164 L 1 2 N LEU B 136 ? N LEU H 124 O GLY B 151 ? O GLY H 139 L 2 3 N ALA B 148 ? N ALA H 136 O VAL B 196 ? O VAL H 184 L 3 4 O SER B 189 ? O SER H 177 N VAL B 181 ? N VAL H 169 M 1 2 N SER B 165 ? N SER H 153 O ASN B 209 ? O ASN H 197 M 2 3 N VAL B 210 ? N VAL H 198 O VAL B 219 ? O VAL H 207 N 1 2 N THR C 5 ? N THR L 5 O ARG C 24 ? O ARG L 24 N 2 3 N ILE C 21 ? N ILE L 21 O LEU C 71 ? O LEU L 73 N 3 4 O ASN C 70 ? O ASN L 72 N SER C 63 ? N SER L 65 O 1 2 N LEU C 11 ? N LEU L 11 O LYS C 97 ? O LYS L 103 O 2 3 O VAL C 98 ? O VAL L 104 N GLY C 82 ? N GLY L 84 O 3 4 O TYR C 85 ? O TYR L 87 N TYR C 34 ? N TYR L 36 O 4 5 N TRP C 33 ? N TRP L 35 O VAL C 45 ? O VAL L 47 O 5 6 N TYR C 47 ? N TYR L 49 O THR C 51 ? O THR L 53 P 1 2 N LEU C 11 ? N LEU L 11 O LYS C 97 ? O LYS L 103 P 2 3 O VAL C 98 ? O VAL L 104 N GLY C 82 ? N GLY L 84 P 3 4 N GLN C 88 ? N GLN L 90 O PHE C 91 ? O PHE L 97 Q 1 2 N PHE C 114 ? N PHE L 120 O VAL C 129 ? O VAL L 135 Q 2 3 N ALA C 126 ? N ALA L 132 O LEU C 177 ? O LEU L 183 Q 3 4 O SER C 172 ? O SER L 178 N SER C 158 ? N SER L 164 R 1 2 O ALA C 149 ? O ALA L 155 N VAL C 146 ? N VAL L 152 R 2 3 N GLN C 143 ? N GLN L 149 O GLU C 191 ? O GLU L 197 R 3 4 N VAL C 192 ? N VAL L 198 O VAL C 201 ? O VAL L 207 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG G 501' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG G 502' AC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG G 503' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG G 504' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG G 505' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG G 506' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG G 507' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG G 508' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG G 509' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG G 510' # 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 4 ASN A 118 ? ASN G 234 . ? 1_555 ? 2 AC1 4 HIS A 220 ? HIS G 352 . ? 1_555 ? 3 AC1 4 HOH N . ? HOH G 648 . ? 1_555 ? 4 AC1 4 GLN B 204 ? GLN H 192 . ? 3_544 ? 5 AC2 3 HIS A 42 ? HIS G 85 . ? 1_555 ? 6 AC2 3 ASN A 113 ? ASN G 229 . ? 1_555 ? 7 AC2 3 ASN A 125 ? ASN G 241 . ? 1_555 ? 8 AC3 9 ASN A 146 ? ASN G 262 . ? 1_555 ? 9 AC3 9 ARG A 246 ? ARG G 379 . ? 1_555 ? 10 AC3 9 CYS A 306 ? CYS G 445 . ? 1_555 ? 11 AC3 9 VAL A 307 ? VAL G 446 . ? 1_555 ? 12 AC3 9 SER A 308 ? SER G 447 . ? 1_555 ? 13 AC3 9 NAG M . ? NAG G 510 . ? 1_555 ? 14 AC3 9 HOH N . ? HOH G 604 . ? 1_555 ? 15 AC3 9 HOH N . ? HOH G 633 . ? 1_555 ? 16 AC3 9 HOH N . ? HOH G 638 . ? 1_555 ? 17 AC4 5 GLU A 159 ? GLU G 275 . ? 1_555 ? 18 AC4 5 ASN A 160 ? ASN G 276 . ? 1_555 ? 19 AC4 5 HOH N . ? HOH G 654 . ? 1_555 ? 20 AC4 5 SER C 30 ? SER L 30 . ? 1_555 ? 21 AC4 5 TYR C 89 ? TYR L 91 . ? 1_555 ? 22 AC5 6 GLU A 152 ? GLU G 268 . ? 1_555 ? 23 AC5 6 GLU A 153 ? GLU G 269 . ? 1_555 ? 24 AC5 6 ILE A 154 ? ILE G 270 . ? 1_555 ? 25 AC5 6 ASN A 173 ? ASN G 289 . ? 1_555 ? 26 AC5 6 GLN A 212 ? GLN G 344 . ? 1_555 ? 27 AC5 6 HOH N . ? HOH G 624 . ? 1_555 ? 28 AC6 4 ASN A 179 ? ASN G 295 . ? 1_555 ? 29 AC6 4 GLU A 200 ? GLU G 332 . ? 1_555 ? 30 AC6 4 LYS A 303 ? LYS G 442 . ? 1_555 ? 31 AC6 4 HOH N . ? HOH G 647 . ? 1_555 ? 32 AC7 3 ASN A 202 ? ASN G 334 . ? 1_555 ? 33 AC7 3 LYS A 205 ? LYS G 337 . ? 1_555 ? 34 AC7 3 THR A 274 ? THR G 413 . ? 1_555 ? 35 AC8 3 GLN A 74 ? GLN G 117 . ? 4_555 ? 36 AC8 3 ASN A 253 ? ASN G 386 . ? 1_555 ? 37 AC8 3 THR A 255 ? THR G 388 . ? 1_555 ? 38 AC9 6 GLN A 256 ? GLN G 389 . ? 1_555 ? 39 AC9 6 ASN A 259 ? ASN G 392 . ? 1_555 ? 40 AC9 6 CYS A 262 ? CYS G 395 . ? 1_555 ? 41 AC9 6 GLY A 270 ? GLY G 409 . ? 1_555 ? 42 AC9 6 CYS A 271 ? CYS G 410 . ? 1_555 ? 43 AC9 6 HOH N . ? HOH G 666 . ? 1_555 ? 44 BC1 4 LYS A 136 ? LYS G 252 . ? 1_555 ? 45 BC1 4 SER A 175 ? SER G 291 . ? 1_555 ? 46 BC1 4 ASN A 309 ? ASN G 448 . ? 1_555 ? 47 BC1 4 NAG F . ? NAG G 503 . ? 1_555 ? # _database_PDB_matrix.entry_id 4OM1 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4OM1 _atom_sites.fract_transf_matrix[1][1] 0.014697 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013157 _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] 0.005017 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . VAL A 1 1 ? -49.428 -6.592 -21.597 1.00 103.08 ? 44 VAL G N 1 ATOM 2 C CA . VAL A 1 1 ? -48.376 -6.004 -22.418 1.00 103.09 ? 44 VAL G CA 1 ATOM 3 C C . VAL A 1 1 ? -47.872 -4.702 -21.799 1.00 101.21 ? 44 VAL G C 1 ATOM 4 O O . VAL A 1 1 ? -48.655 -3.891 -21.306 1.00 106.86 ? 44 VAL G O 1 ATOM 5 C CB . VAL A 1 1 ? -48.869 -5.746 -23.866 1.00 104.79 ? 44 VAL G CB 1 ATOM 6 C CG1 . VAL A 1 1 ? -50.152 -4.923 -23.866 1.00 108.22 ? 44 VAL G CG1 1 ATOM 7 C CG2 . VAL A 1 1 ? -47.785 -5.071 -24.701 1.00 97.77 ? 44 VAL G CG2 1 ATOM 8 N N . TRP A 1 2 ? -46.556 -4.517 -21.807 1.00 95.28 ? 45 TRP G N 1 ATOM 9 C CA . TRP A 1 2 ? -45.958 -3.283 -21.313 1.00 90.65 ? 45 TRP G CA 1 ATOM 10 C C . TRP A 1 2 ? -44.893 -2.776 -22.276 1.00 89.65 ? 45 TRP G C 1 ATOM 11 O O . TRP A 1 2 ? -44.616 -3.403 -23.298 1.00 93.53 ? 45 TRP G O 1 ATOM 12 C CB . TRP A 1 2 ? -45.352 -3.492 -19.923 1.00 85.92 ? 45 TRP G CB 1 ATOM 13 C CG . TRP A 1 2 ? -44.254 -4.509 -19.896 1.00 86.48 ? 45 TRP G CG 1 ATOM 14 C CD1 . TRP A 1 2 ? -42.958 -4.329 -20.287 1.00 88.69 ? 45 TRP G CD1 1 ATOM 15 C CD2 . TRP A 1 2 ? -44.353 -5.865 -19.449 1.00 85.10 ? 45 TRP G CD2 1 ATOM 16 N NE1 . TRP A 1 2 ? -42.246 -5.491 -20.117 1.00 87.79 ? 45 TRP G NE1 1 ATOM 17 C CE2 . TRP A 1 2 ? -43.079 -6.449 -19.602 1.00 85.92 ? 45 TRP G CE2 1 ATOM 18 C CE3 . TRP A 1 2 ? -45.395 -6.644 -18.935 1.00 91.92 ? 45 TRP G CE3 1 ATOM 19 C CZ2 . TRP A 1 2 ? -42.819 -7.774 -19.259 1.00 92.30 ? 45 TRP G CZ2 1 ATOM 20 C CZ3 . TRP A 1 2 ? -45.135 -7.959 -18.596 1.00 92.58 ? 45 TRP G CZ3 1 ATOM 21 C CH2 . TRP A 1 2 ? -43.858 -8.511 -18.759 1.00 93.03 ? 45 TRP G CH2 1 ATOM 22 N N . LYS A 1 3 ? -44.298 -1.637 -21.941 1.00 85.31 ? 46 LYS G N 1 ATOM 23 C CA . LYS A 1 3 ? -43.211 -1.077 -22.733 1.00 83.63 ? 46 LYS G CA 1 ATOM 24 C C . LYS A 1 3 ? -42.301 -0.234 -21.851 1.00 80.87 ? 46 LYS G C 1 ATOM 25 O O . LYS A 1 3 ? -42.737 0.299 -20.831 1.00 83.65 ? 46 LYS G O 1 ATOM 26 C CB . LYS A 1 3 ? -43.754 -0.237 -23.893 1.00 88.67 ? 46 LYS G CB 1 ATOM 27 C CG . LYS A 1 3 ? -44.472 1.039 -23.472 1.00 88.37 ? 46 LYS G CG 1 ATOM 28 C CD . LYS A 1 3 ? -44.847 1.882 -24.683 1.00 95.67 ? 46 LYS G CD 1 ATOM 29 C CE . LYS A 1 3 ? -45.511 3.189 -24.276 1.00 100.95 ? 46 LYS G CE 1 ATOM 30 N NZ . LYS A 1 3 ? -46.822 2.968 -23.607 1.00 104.76 ? 46 LYS G NZ 1 ATOM 31 N N . ASP A 1 4 ? -41.035 -0.125 -22.242 1.00 77.70 ? 47 ASP G N 1 ATOM 32 C CA . ASP A 1 4 ? -40.082 0.702 -21.512 1.00 81.56 ? 47 ASP G CA 1 ATOM 33 C C . ASP A 1 4 ? -40.558 2.149 -21.483 1.00 80.74 ? 47 ASP G C 1 ATOM 34 O O . ASP A 1 4 ? -41.001 2.685 -22.499 1.00 82.40 ? 47 ASP G O 1 ATOM 35 C CB . ASP A 1 4 ? -38.691 0.610 -22.143 1.00 90.82 ? 47 ASP G CB 1 ATOM 36 C CG . ASP A 1 4 ? -38.071 -0.766 -21.993 1.00 99.61 ? 47 ASP G CG 1 ATOM 37 O OD1 . ASP A 1 4 ? -38.816 -1.730 -21.721 1.00 104.32 ? 47 ASP G OD1 1 ATOM 38 O OD2 . ASP A 1 4 ? -36.837 -0.884 -22.151 1.00 101.63 ? 47 ASP G OD2 1 ATOM 39 N N . ALA A 1 5 ? -40.478 2.775 -20.314 1.00 75.31 ? 48 ALA G N 1 ATOM 40 C CA . ALA A 1 5 ? -40.963 4.140 -20.158 1.00 77.21 ? 48 ALA G CA 1 ATOM 41 C C . ALA A 1 5 ? -40.286 4.858 -18.997 1.00 71.30 ? 48 ALA G C 1 ATOM 42 O O . ALA A 1 5 ? -39.627 4.237 -18.163 1.00 68.68 ? 48 ALA G O 1 ATOM 43 C CB . ALA A 1 5 ? -42.474 4.142 -19.968 1.00 78.41 ? 48 ALA G CB 1 ATOM 44 N N . ASP A 1 6 ? -40.456 6.174 -18.957 1.00 67.18 ? 49 ASP G N 1 ATOM 45 C CA . ASP A 1 6 ? -39.918 6.994 -17.882 1.00 69.45 ? 49 ASP G CA 1 ATOM 46 C C . ASP A 1 6 ? -41.042 7.780 -17.219 1.00 71.49 ? 49 ASP G C 1 ATOM 47 O O . ASP A 1 6 ? -41.941 8.279 -17.895 1.00 75.85 ? 49 ASP G O 1 ATOM 48 C CB . ASP A 1 6 ? -38.842 7.945 -18.413 1.00 69.76 ? 49 ASP G CB 1 ATOM 49 C CG . ASP A 1 6 ? -37.677 7.212 -19.054 1.00 74.72 ? 49 ASP G CG 1 ATOM 50 O OD1 . ASP A 1 6 ? -37.354 6.090 -18.609 1.00 74.17 ? 49 ASP G OD1 1 ATOM 51 O OD2 . ASP A 1 6 ? -37.083 7.759 -20.006 1.00 85.03 ? 49 ASP G OD2 1 ATOM 52 N N . THR A 1 7 ? -40.994 7.884 -15.895 1.00 68.63 ? 50 THR G N 1 ATOM 53 C CA . THR A 1 7 ? -42.020 8.609 -15.154 1.00 66.11 ? 50 THR G CA 1 ATOM 54 C C . THR A 1 7 ? -41.437 9.243 -13.900 1.00 62.60 ? 50 THR G C 1 ATOM 55 O O . THR A 1 7 ? -40.241 9.127 -13.635 1.00 66.91 ? 50 THR G O 1 ATOM 56 C CB . THR A 1 7 ? -43.191 7.687 -14.757 1.00 67.48 ? 50 THR G CB 1 ATOM 57 O OG1 . THR A 1 7 ? -44.247 8.468 -14.186 1.00 68.83 ? 50 THR G OG1 1 ATOM 58 C CG2 . THR A 1 7 ? -42.732 6.641 -13.749 1.00 61.26 ? 50 THR G CG2 1 ATOM 59 N N . THR A 1 8 ? -42.288 9.921 -13.135 1.00 62.81 ? 51 THR G N 1 ATOM 60 C CA . THR A 1 8 ? -41.873 10.498 -11.863 1.00 62.50 ? 51 THR G CA 1 ATOM 61 C C . THR A 1 8 ? -42.054 9.486 -10.736 1.00 65.81 ? 51 THR G C 1 ATOM 62 O O . THR A 1 8 ? -43.176 9.200 -10.315 1.00 66.43 ? 51 THR G O 1 ATOM 63 C CB . THR A 1 8 ? -42.661 11.779 -11.533 1.00 66.42 ? 51 THR G CB 1 ATOM 64 O OG1 . THR A 1 8 ? -42.398 12.778 -12.528 1.00 70.70 ? 51 THR G OG1 1 ATOM 65 C CG2 . THR A 1 8 ? -42.256 12.316 -10.166 1.00 60.51 ? 51 THR G CG2 1 ATOM 66 N N . LEU A 1 9 ? -40.942 8.940 -10.258 1.00 61.91 ? 52 LEU G N 1 ATOM 67 C CA . LEU A 1 9 ? -40.970 7.965 -9.176 1.00 57.43 ? 52 LEU G CA 1 ATOM 68 C C . LEU A 1 9 ? -41.234 8.643 -7.840 1.00 57.90 ? 52 LEU G C 1 ATOM 69 O O . LEU A 1 9 ? -41.126 9.863 -7.722 1.00 60.13 ? 52 LEU G O 1 ATOM 70 C CB . LEU A 1 9 ? -39.647 7.198 -9.110 1.00 56.38 ? 52 LEU G CB 1 ATOM 71 C CG . LEU A 1 9 ? -39.109 6.580 -10.402 1.00 57.27 ? 52 LEU G CG 1 ATOM 72 C CD1 . LEU A 1 9 ? -37.721 6.001 -10.177 1.00 51.40 ? 52 LEU G CD1 1 ATOM 73 C CD2 . LEU A 1 9 ? -40.056 5.516 -10.926 1.00 59.64 ? 52 LEU G CD2 1 ATOM 74 N N . PHE A 1 10 ? -41.588 7.848 -6.835 1.00 51.84 ? 53 PHE G N 1 ATOM 75 C CA . PHE A 1 10 ? -41.609 8.339 -5.464 1.00 53.56 ? 53 PHE G CA 1 ATOM 76 C C . PHE A 1 10 ? -40.689 7.468 -4.622 1.00 53.48 ? 53 PHE G C 1 ATOM 77 O O . PHE A 1 10 ? -40.417 6.320 -4.973 1.00 56.27 ? 53 PHE G O 1 ATOM 78 C CB . PHE A 1 10 ? -43.030 8.358 -4.891 1.00 50.63 ? 53 PHE G CB 1 ATOM 79 C CG . PHE A 1 10 ? -43.607 6.997 -4.617 1.00 56.21 ? 53 PHE G CG 1 ATOM 80 C CD1 . PHE A 1 10 ? -44.298 6.311 -5.602 1.00 55.39 ? 53 PHE G CD1 1 ATOM 81 C CD2 . PHE A 1 10 ? -43.484 6.415 -3.364 1.00 63.99 ? 53 PHE G CD2 1 ATOM 82 C CE1 . PHE A 1 10 ? -44.839 5.066 -5.348 1.00 59.37 ? 53 PHE G CE1 1 ATOM 83 C CE2 . PHE A 1 10 ? -44.022 5.169 -3.105 1.00 58.82 ? 53 PHE G CE2 1 ATOM 84 C CZ . PHE A 1 10 ? -44.702 4.494 -4.098 1.00 59.14 ? 53 PHE G CZ 1 ATOM 85 N N . CYS A 1 11 ? -40.199 8.017 -3.517 1.00 53.38 ? 54 CYS G N 1 ATOM 86 C CA . CYS A 1 11 ? -39.248 7.296 -2.686 1.00 54.22 ? 54 CYS G CA 1 ATOM 87 C C . CYS A 1 11 ? -39.880 6.820 -1.383 1.00 54.27 ? 54 CYS G C 1 ATOM 88 O O . CYS A 1 11 ? -40.871 7.383 -0.916 1.00 55.09 ? 54 CYS G O 1 ATOM 89 C CB . CYS A 1 11 ? -38.026 8.171 -2.391 1.00 55.41 ? 54 CYS G CB 1 ATOM 90 S SG . CYS A 1 11 ? -38.379 9.665 -1.437 1.00 75.83 ? 54 CYS G SG 1 ATOM 91 N N . ALA A 1 12 ? -39.306 5.769 -0.807 1.00 53.11 ? 55 ALA G N 1 ATOM 92 C CA . ALA A 1 12 ? -39.764 5.254 0.477 1.00 48.24 ? 55 ALA G CA 1 ATOM 93 C C . ALA A 1 12 ? -38.573 4.957 1.380 1.00 52.00 ? 55 ALA G C 1 ATOM 94 O O . ALA A 1 12 ? -37.474 4.686 0.895 1.00 50.74 ? 55 ALA G O 1 ATOM 95 C CB . ALA A 1 12 ? -40.617 4.010 0.285 1.00 43.87 ? 55 ALA G CB 1 ATOM 96 N N . SER A 1 13 ? -38.791 5.013 2.691 1.00 54.21 ? 56 SER G N 1 ATOM 97 C CA . SER A 1 13 ? -37.705 4.824 3.645 1.00 56.87 ? 56 SER G CA 1 ATOM 98 C C . SER A 1 13 ? -38.209 4.454 5.035 1.00 57.16 ? 56 SER G C 1 ATOM 99 O O . SER A 1 13 ? -39.411 4.464 5.302 1.00 58.41 ? 56 SER G O 1 ATOM 100 C CB . SER A 1 13 ? -36.854 6.091 3.741 1.00 56.12 ? 56 SER G CB 1 ATOM 101 O OG . SER A 1 13 ? -37.522 7.084 4.501 1.00 59.24 ? 56 SER G OG 1 ATOM 102 N N . ASP A 1 14 ? -37.269 4.130 5.916 1.00 48.73 ? 57 ASP G N 1 ATOM 103 C CA . ASP A 1 14 ? -37.575 3.874 7.315 1.00 57.46 ? 57 ASP G CA 1 ATOM 104 C C . ASP A 1 14 ? -37.024 5.002 8.179 1.00 56.90 ? 57 ASP G C 1 ATOM 105 O O . ASP A 1 14 ? -36.564 4.773 9.298 1.00 60.56 ? 57 ASP G O 1 ATOM 106 C CB . ASP A 1 14 ? -36.998 2.528 7.760 1.00 64.30 ? 57 ASP G CB 1 ATOM 107 C CG . ASP A 1 14 ? -37.684 1.349 7.096 1.00 70.04 ? 57 ASP G CG 1 ATOM 108 O OD1 . ASP A 1 14 ? -38.922 1.391 6.937 1.00 72.51 ? 57 ASP G OD1 1 ATOM 109 O OD2 . ASP A 1 14 ? -36.986 0.379 6.734 1.00 76.71 ? 57 ASP G OD2 1 ATOM 110 N N . ALA A 1 15 ? -37.068 6.219 7.644 1.00 56.38 ? 58 ALA G N 1 ATOM 111 C CA . ALA A 1 15 ? -36.591 7.398 8.359 1.00 54.87 ? 58 ALA G CA 1 ATOM 112 C C . ALA A 1 15 ? -37.341 7.593 9.669 1.00 52.45 ? 58 ALA G C 1 ATOM 113 O O . ALA A 1 15 ? -38.526 7.278 9.770 1.00 56.09 ? 58 ALA G O 1 ATOM 114 C CB . ALA A 1 15 ? -36.726 8.634 7.489 1.00 57.29 ? 58 ALA G CB 1 ATOM 115 N N . LYS A 1 16 ? -36.640 8.113 10.671 1.00 59.19 ? 59 LYS G N 1 ATOM 116 C CA . LYS A 1 16 ? -37.242 8.385 11.972 1.00 66.38 ? 59 LYS G CA 1 ATOM 117 C C . LYS A 1 16 ? -37.611 9.861 12.096 1.00 68.54 ? 59 LYS G C 1 ATOM 118 O O . LYS A 1 16 ? -36.805 10.738 11.788 1.00 63.32 ? 59 LYS G O 1 ATOM 119 C CB . LYS A 1 16 ? -36.288 7.981 13.098 1.00 63.71 ? 59 LYS G CB 1 ATOM 120 C CG . LYS A 1 16 ? -35.857 6.525 13.051 1.00 64.51 ? 59 LYS G CG 1 ATOM 121 C CD . LYS A 1 16 ? -37.032 5.598 13.301 1.00 78.65 ? 59 LYS G CD 1 ATOM 122 C CE . LYS A 1 16 ? -36.604 4.145 13.229 1.00 93.79 ? 59 LYS G CE 1 ATOM 123 N NZ . LYS A 1 16 ? -35.488 3.857 14.170 1.00 100.16 ? 59 LYS G NZ 1 ATOM 124 N N . ALA A 1 17 ? -38.830 10.129 12.550 1.00 79.99 ? 60 ALA G N 1 ATOM 125 C CA . ALA A 1 17 ? -39.321 11.499 12.663 1.00 90.74 ? 60 ALA G CA 1 ATOM 126 C C . ALA A 1 17 ? -38.674 12.242 13.831 1.00 88.23 ? 60 ALA G C 1 ATOM 127 O O . ALA A 1 17 ? -38.727 13.470 13.903 1.00 94.33 ? 60 ALA G O 1 ATOM 128 C CB . ALA A 1 17 ? -40.836 11.504 12.809 1.00 98.16 ? 60 ALA G CB 1 ATOM 129 N N . HIS A 1 18 ? -38.061 11.491 14.741 1.00 77.89 ? 61 HIS G N 1 ATOM 130 C CA . HIS A 1 18 ? -37.431 12.074 15.920 1.00 72.00 ? 61 HIS G CA 1 ATOM 131 C C . HIS A 1 18 ? -35.960 12.365 15.683 1.00 70.34 ? 61 HIS G C 1 ATOM 132 O O . HIS A 1 18 ? -35.284 12.959 16.523 1.00 69.27 ? 61 HIS G O 1 ATOM 133 C CB . HIS A 1 18 ? -37.582 11.142 17.122 1.00 78.46 ? 61 HIS G CB 1 ATOM 134 C CG . HIS A 1 18 ? -36.621 9.993 17.133 1.00 81.92 ? 61 HIS G CG 1 ATOM 135 N ND1 . HIS A 1 18 ? -36.896 8.785 16.526 1.00 81.69 ? 61 HIS G ND1 1 ATOM 136 C CD2 . HIS A 1 18 ? -35.398 9.859 17.697 1.00 82.80 ? 61 HIS G CD2 1 ATOM 137 C CE1 . HIS A 1 18 ? -35.878 7.963 16.705 1.00 78.71 ? 61 HIS G CE1 1 ATOM 138 N NE2 . HIS A 1 18 ? -34.955 8.589 17.412 1.00 79.91 ? 61 HIS G NE2 1 ATOM 139 N N . GLU A 1 19 ? -35.471 11.939 14.527 1.00 64.08 ? 62 GLU G N 1 ATOM 140 C CA . GLU A 1 19 ? -34.046 11.963 14.249 1.00 66.57 ? 62 GLU G CA 1 ATOM 141 C C . GLU A 1 19 ? -33.613 13.301 13.661 1.00 63.22 ? 62 GLU G C 1 ATOM 142 O O . GLU A 1 19 ? -34.287 13.858 12.796 1.00 65.41 ? 62 GLU G O 1 ATOM 143 C CB . GLU A 1 19 ? -33.688 10.814 13.304 1.00 61.59 ? 62 GLU G CB 1 ATOM 144 C CG . GLU A 1 19 ? -32.211 10.666 13.032 1.00 70.18 ? 62 GLU G CG 1 ATOM 145 C CD . GLU A 1 19 ? -31.401 10.455 14.293 1.00 67.70 ? 62 GLU G CD 1 ATOM 146 O OE1 . GLU A 1 19 ? -31.484 9.355 14.873 1.00 66.61 ? 62 GLU G OE1 1 ATOM 147 O OE2 . GLU A 1 19 ? -30.680 11.390 14.702 1.00 66.17 ? 62 GLU G OE2 1 ATOM 148 N N . THR A 1 20 ? -32.488 13.817 14.144 1.00 58.95 ? 63 THR G N 1 ATOM 149 C CA . THR A 1 20 ? -31.946 15.066 13.628 1.00 61.38 ? 63 THR G CA 1 ATOM 150 C C . THR A 1 20 ? -30.889 14.793 12.567 1.00 59.60 ? 63 THR G C 1 ATOM 151 O O . THR A 1 20 ? -30.297 15.720 12.016 1.00 69.24 ? 63 THR G O 1 ATOM 152 C CB . THR A 1 20 ? -31.334 15.930 14.747 1.00 61.98 ? 63 THR G CB 1 ATOM 153 O OG1 . THR A 1 20 ? -30.258 15.220 15.372 1.00 66.42 ? 63 THR G OG1 1 ATOM 154 C CG2 . THR A 1 20 ? -32.386 16.272 15.792 1.00 63.77 ? 63 THR G CG2 1 ATOM 155 N N . GLU A 1 21 ? -30.653 13.517 12.282 1.00 54.90 ? 64 GLU G N 1 ATOM 156 C CA . GLU A 1 21 ? -29.705 13.149 11.240 1.00 51.84 ? 64 GLU G CA 1 ATOM 157 C C . GLU A 1 21 ? -30.246 13.613 9.891 1.00 50.90 ? 64 GLU G C 1 ATOM 158 O O . GLU A 1 21 ? -31.429 13.454 9.586 1.00 54.66 ? 64 GLU G O 1 ATOM 159 C CB . GLU A 1 21 ? -29.435 11.640 11.242 1.00 46.79 ? 64 GLU G CB 1 ATOM 160 C CG . GLU A 1 21 ? -28.266 11.199 10.365 1.00 45.42 ? 64 GLU G CG 1 ATOM 161 C CD . GLU A 1 21 ? -28.620 11.165 8.892 1.00 46.66 ? 64 GLU G CD 1 ATOM 162 O OE1 . GLU A 1 21 ? -29.797 10.892 8.577 1.00 45.00 ? 64 GLU G OE1 1 ATOM 163 O OE2 . GLU A 1 21 ? -27.733 11.430 8.054 1.00 45.39 ? 64 GLU G OE2 1 ATOM 164 N N . VAL A 1 22 ? -29.353 14.180 9.090 1.00 44.14 ? 65 VAL G N 1 ATOM 165 C CA . VAL A 1 22 ? -29.705 14.872 7.857 1.00 50.61 ? 65 VAL G CA 1 ATOM 166 C C . VAL A 1 22 ? -30.491 14.028 6.842 1.00 50.78 ? 65 VAL G C 1 ATOM 167 O O . VAL A 1 22 ? -31.473 14.506 6.268 1.00 44.76 ? 65 VAL G O 1 ATOM 168 C CB . VAL A 1 22 ? -28.423 15.422 7.202 1.00 60.82 ? 65 VAL G CB 1 ATOM 169 C CG1 . VAL A 1 22 ? -28.503 15.371 5.689 1.00 68.96 ? 65 VAL G CG1 1 ATOM 170 C CG2 . VAL A 1 22 ? -28.148 16.834 7.707 1.00 69.17 ? 65 VAL G CG2 1 ATOM 171 N N . HIS A 1 23 ? -30.078 12.781 6.629 1.00 43.48 ? 66 HIS G N 1 ATOM 172 C CA . HIS A 1 23 ? -30.763 11.923 5.667 1.00 45.27 ? 66 HIS G CA 1 ATOM 173 C C . HIS A 1 23 ? -32.163 11.559 6.150 1.00 46.10 ? 66 HIS G C 1 ATOM 174 O O . HIS A 1 23 ? -33.099 11.480 5.352 1.00 48.61 ? 66 HIS G O 1 ATOM 175 C CB . HIS A 1 23 ? -29.952 10.654 5.394 1.00 42.85 ? 66 HIS G CB 1 ATOM 176 C CG . HIS A 1 23 ? -28.653 10.906 4.694 1.00 44.36 ? 66 HIS G CG 1 ATOM 177 N ND1 . HIS A 1 23 ? -27.523 11.338 5.356 1.00 45.51 ? 66 HIS G ND1 1 ATOM 178 C CD2 . HIS A 1 23 ? -28.305 10.788 3.391 1.00 44.00 ? 66 HIS G CD2 1 ATOM 179 C CE1 . HIS A 1 23 ? -26.535 11.473 4.489 1.00 44.61 ? 66 HIS G CE1 1 ATOM 180 N NE2 . HIS A 1 23 ? -26.982 11.147 3.290 1.00 37.70 ? 66 HIS G NE2 1 ATOM 181 N N . ASN A 1 24 ? -32.302 11.337 7.455 1.00 46.28 ? 67 ASN G N 1 ATOM 182 C CA . ASN A 1 24 ? -33.600 11.038 8.049 1.00 44.09 ? 67 ASN G CA 1 ATOM 183 C C . ASN A 1 24 ? -34.590 12.179 7.863 1.00 45.16 ? 67 ASN G C 1 ATOM 184 O O . ASN A 1 24 ? -35.741 11.959 7.485 1.00 56.43 ? 67 ASN G O 1 ATOM 185 C CB . ASN A 1 24 ? -33.453 10.727 9.542 1.00 55.76 ? 67 ASN G CB 1 ATOM 186 C CG . ASN A 1 24 ? -33.100 9.277 9.806 1.00 54.77 ? 67 ASN G CG 1 ATOM 187 O OD1 . ASN A 1 24 ? -33.970 8.463 10.113 1.00 52.21 ? 67 ASN G OD1 1 ATOM 188 N ND2 . ASN A 1 24 ? -31.820 8.946 9.685 1.00 51.66 ? 67 ASN G ND2 1 ATOM 189 N N . VAL A 1 25 ? -34.133 13.396 8.138 1.00 50.42 ? 68 VAL G N 1 ATOM 190 C CA . VAL A 1 25 ? -34.981 14.579 8.039 1.00 51.16 ? 68 VAL G CA 1 ATOM 191 C C . VAL A 1 25 ? -35.484 14.768 6.611 1.00 50.36 ? 68 VAL G C 1 ATOM 192 O O . VAL A 1 25 ? -36.680 14.965 6.389 1.00 55.21 ? 68 VAL G O 1 ATOM 193 C CB . VAL A 1 25 ? -34.234 15.846 8.503 1.00 60.39 ? 68 VAL G CB 1 ATOM 194 C CG1 . VAL A 1 25 ? -34.978 17.101 8.068 1.00 66.35 ? 68 VAL G CG1 1 ATOM 195 C CG2 . VAL A 1 25 ? -34.046 15.824 10.015 1.00 56.41 ? 68 VAL G CG2 1 ATOM 196 N N . TRP A 1 26 ? -34.569 14.691 5.649 1.00 48.57 ? 69 TRP G N 1 ATOM 197 C CA . TRP A 1 26 ? -34.926 14.811 4.238 1.00 47.70 ? 69 TRP G CA 1 ATOM 198 C C . TRP A 1 26 ? -35.969 13.772 3.837 1.00 52.95 ? 69 TRP G C 1 ATOM 199 O O . TRP A 1 26 ? -36.968 14.097 3.193 1.00 46.43 ? 69 TRP G O 1 ATOM 200 C CB . TRP A 1 26 ? -33.688 14.665 3.352 1.00 47.30 ? 69 TRP G CB 1 ATOM 201 C CG . TRP A 1 26 ? -33.996 14.786 1.890 1.00 47.72 ? 69 TRP G CG 1 ATOM 202 C CD1 . TRP A 1 26 ? -34.026 15.934 1.152 1.00 47.16 ? 69 TRP G CD1 1 ATOM 203 C CD2 . TRP A 1 26 ? -34.327 13.720 0.988 1.00 48.81 ? 69 TRP G CD2 1 ATOM 204 N NE1 . TRP A 1 26 ? -34.352 15.650 -0.153 1.00 56.75 ? 69 TRP G NE1 1 ATOM 205 C CE2 . TRP A 1 26 ? -34.542 14.298 -0.280 1.00 55.37 ? 69 TRP G CE2 1 ATOM 206 C CE3 . TRP A 1 26 ? -34.459 12.335 1.129 1.00 48.40 ? 69 TRP G CE3 1 ATOM 207 C CZ2 . TRP A 1 26 ? -34.882 13.539 -1.399 1.00 54.30 ? 69 TRP G CZ2 1 ATOM 208 C CZ3 . TRP A 1 26 ? -34.798 11.582 0.016 1.00 47.98 ? 69 TRP G CZ3 1 ATOM 209 C CH2 . TRP A 1 26 ? -35.005 12.186 -1.231 1.00 50.40 ? 69 TRP G CH2 1 ATOM 210 N N . ALA A 1 27 ? -35.730 12.525 4.232 1.00 52.36 ? 70 ALA G N 1 ATOM 211 C CA . ALA A 1 27 ? -36.597 11.413 3.857 1.00 49.47 ? 70 ALA G CA 1 ATOM 212 C C . ALA A 1 27 ? -37.976 11.509 4.502 1.00 47.69 ? 70 ALA G C 1 ATOM 213 O O . ALA A 1 27 ? -38.959 11.001 3.961 1.00 52.85 ? 70 ALA G O 1 ATOM 214 C CB . ALA A 1 27 ? -35.939 10.091 4.221 1.00 49.52 ? 70 ALA G CB 1 ATOM 215 N N . THR A 1 28 ? -38.044 12.155 5.661 1.00 51.86 ? 71 THR G N 1 ATOM 216 C CA . THR A 1 28 ? -39.308 12.307 6.372 1.00 59.43 ? 71 THR G CA 1 ATOM 217 C C . THR A 1 28 ? -40.319 13.081 5.527 1.00 64.40 ? 71 THR G C 1 ATOM 218 O O . THR A 1 28 ? -41.506 12.754 5.504 1.00 71.66 ? 71 THR G O 1 ATOM 219 C CB . THR A 1 28 ? -39.113 13.025 7.724 1.00 62.66 ? 71 THR G CB 1 ATOM 220 O OG1 . THR A 1 28 ? -38.111 12.345 8.490 1.00 73.03 ? 71 THR G OG1 1 ATOM 221 C CG2 . THR A 1 28 ? -40.415 13.050 8.514 1.00 54.84 ? 71 THR G CG2 1 ATOM 222 N N . HIS A 1 29 ? -39.835 14.094 4.814 1.00 62.29 ? 72 HIS G N 1 ATOM 223 C CA . HIS A 1 29 ? -40.708 14.968 4.039 1.00 67.38 ? 72 HIS G CA 1 ATOM 224 C C . HIS A 1 29 ? -40.786 14.572 2.566 1.00 60.09 ? 72 HIS G C 1 ATOM 225 O O . HIS A 1 29 ? -41.778 14.855 1.894 1.00 63.35 ? 72 HIS G O 1 ATOM 226 C CB . HIS A 1 29 ? -40.238 16.420 4.164 1.00 80.78 ? 72 HIS G CB 1 ATOM 227 C CG . HIS A 1 29 ? -40.191 16.919 5.576 1.00 98.54 ? 72 HIS G CG 1 ATOM 228 N ND1 . HIS A 1 29 ? -39.072 16.794 6.373 1.00 99.84 ? 72 HIS G ND1 1 ATOM 229 C CD2 . HIS A 1 29 ? -41.127 17.534 6.336 1.00 99.39 ? 72 HIS G CD2 1 ATOM 230 C CE1 . HIS A 1 29 ? -39.321 17.316 7.561 1.00 95.47 ? 72 HIS G CE1 1 ATOM 231 N NE2 . HIS A 1 29 ? -40.560 17.771 7.565 1.00 99.87 ? 72 HIS G NE2 1 ATOM 232 N N . ALA A 1 30 ? -39.745 13.914 2.068 1.00 47.29 ? 73 ALA G N 1 ATOM 233 C CA . ALA A 1 30 ? -39.676 13.570 0.652 1.00 60.05 ? 73 ALA G CA 1 ATOM 234 C C . ALA A 1 30 ? -40.184 12.160 0.364 1.00 64.78 ? 73 ALA G C 1 ATOM 235 O O . ALA A 1 30 ? -40.580 11.857 -0.760 1.00 71.91 ? 73 ALA G O 1 ATOM 236 C CB . ALA A 1 30 ? -38.250 13.723 0.144 1.00 54.92 ? 73 ALA G CB 1 ATOM 237 N N . CYS A 1 31 ? -40.173 11.301 1.378 1.00 68.86 ? 74 CYS G N 1 ATOM 238 C CA . CYS A 1 31 ? -40.529 9.900 1.180 1.00 64.10 ? 74 CYS G CA 1 ATOM 239 C C . CYS A 1 31 ? -41.702 9.452 2.041 1.00 55.56 ? 74 CYS G C 1 ATOM 240 O O . CYS A 1 31 ? -42.090 10.128 2.992 1.00 57.10 ? 74 CYS G O 1 ATOM 241 C CB . CYS A 1 31 ? -39.323 9.005 1.466 1.00 57.42 ? 74 CYS G CB 1 ATOM 242 S SG . CYS A 1 31 ? -37.854 9.432 0.514 1.00 59.31 ? 74 CYS G SG 1 ATOM 243 N N . VAL A 1 32 ? -42.258 8.298 1.689 1.00 58.51 ? 75 VAL G N 1 ATOM 244 C CA . VAL A 1 32 ? -43.324 7.674 2.460 1.00 63.08 ? 75 VAL G CA 1 ATOM 245 C C . VAL A 1 32 ? -42.763 6.440 3.161 1.00 59.05 ? 75 VAL G C 1 ATOM 246 O O . VAL A 1 32 ? -41.715 5.938 2.765 1.00 57.05 ? 75 VAL G O 1 ATOM 247 C CB . VAL A 1 32 ? -44.515 7.289 1.561 1.00 62.68 ? 75 VAL G CB 1 ATOM 248 C CG1 . VAL A 1 32 ? -45.094 8.529 0.900 1.00 61.86 ? 75 VAL G CG1 1 ATOM 249 C CG2 . VAL A 1 32 ? -44.085 6.272 0.514 1.00 55.96 ? 75 VAL G CG2 1 ATOM 250 N N . PRO A 1 33 ? -43.435 5.960 4.222 1.00 62.19 ? 76 PRO G N 1 ATOM 251 C CA . PRO A 1 33 ? -42.965 4.732 4.877 1.00 63.36 ? 76 PRO G CA 1 ATOM 252 C C . PRO A 1 33 ? -42.962 3.524 3.936 1.00 70.64 ? 76 PRO G C 1 ATOM 253 O O . PRO A 1 33 ? -43.764 3.467 3.004 1.00 68.13 ? 76 PRO G O 1 ATOM 254 C CB . PRO A 1 33 ? -43.969 4.532 6.021 1.00 61.30 ? 76 PRO G CB 1 ATOM 255 C CG . PRO A 1 33 ? -45.141 5.409 5.682 1.00 63.28 ? 76 PRO G CG 1 ATOM 256 C CD . PRO A 1 33 ? -44.564 6.569 4.946 1.00 59.58 ? 76 PRO G CD 1 ATOM 257 N N . THR A 1 34 ? -42.062 2.576 4.181 1.00 71.95 ? 77 THR G N 1 ATOM 258 C CA . THR A 1 34 ? -41.922 1.406 3.318 1.00 66.49 ? 77 THR G CA 1 ATOM 259 C C . THR A 1 34 ? -43.057 0.405 3.504 1.00 62.01 ? 77 THR G C 1 ATOM 260 O O . THR A 1 34 ? -43.810 0.473 4.476 1.00 68.56 ? 77 THR G O 1 ATOM 261 C CB . THR A 1 34 ? -40.588 0.676 3.565 1.00 61.15 ? 77 THR G CB 1 ATOM 262 O OG1 . THR A 1 34 ? -40.532 0.224 4.924 1.00 62.96 ? 77 THR G OG1 1 ATOM 263 C CG2 . THR A 1 34 ? -39.414 1.599 3.292 1.00 54.20 ? 77 THR G CG2 1 ATOM 264 N N . ASP A 1 35 ? -43.162 -0.527 2.562 1.00 66.54 ? 78 ASP G N 1 ATOM 265 C CA . ASP A 1 35 ? -44.174 -1.575 2.607 1.00 73.84 ? 78 ASP G CA 1 ATOM 266 C C . ASP A 1 35 ? -43.684 -2.752 3.448 1.00 73.30 ? 78 ASP G C 1 ATOM 267 O O . ASP A 1 35 ? -42.624 -3.316 3.175 1.00 75.52 ? 78 ASP G O 1 ATOM 268 C CB . ASP A 1 35 ? -44.522 -2.037 1.186 1.00 75.71 ? 78 ASP G CB 1 ATOM 269 C CG . ASP A 1 35 ? -45.799 -2.864 1.126 1.00 79.30 ? 78 ASP G CG 1 ATOM 270 O OD1 . ASP A 1 35 ? -45.996 -3.747 1.987 1.00 74.90 ? 78 ASP G OD1 1 ATOM 271 O OD2 . ASP A 1 35 ? -46.612 -2.629 0.207 1.00 82.45 ? 78 ASP G OD2 1 ATOM 272 N N . PRO A 1 36 ? -44.456 -3.122 4.481 1.00 75.85 ? 79 PRO G N 1 ATOM 273 C CA . PRO A 1 36 ? -44.125 -4.263 5.342 1.00 82.33 ? 79 PRO G CA 1 ATOM 274 C C . PRO A 1 36 ? -44.038 -5.573 4.561 1.00 87.01 ? 79 PRO G C 1 ATOM 275 O O . PRO A 1 36 ? -43.155 -6.390 4.825 1.00 89.08 ? 79 PRO G O 1 ATOM 276 C CB . PRO A 1 36 ? -45.289 -4.301 6.339 1.00 81.38 ? 79 PRO G CB 1 ATOM 277 C CG . PRO A 1 36 ? -45.834 -2.915 6.340 1.00 80.41 ? 79 PRO G CG 1 ATOM 278 C CD . PRO A 1 36 ? -45.668 -2.420 4.937 1.00 74.93 ? 79 PRO G CD 1 ATOM 279 N N . ASN A 1 37 ? -44.949 -5.761 3.611 1.00 84.82 ? 80 ASN G N 1 ATOM 280 C CA . ASN A 1 37 ? -44.970 -6.966 2.791 1.00 84.55 ? 80 ASN G CA 1 ATOM 281 C C . ASN A 1 37 ? -44.837 -6.658 1.303 1.00 82.28 ? 80 ASN G C 1 ATOM 282 O O . ASN A 1 37 ? -45.839 -6.579 0.593 1.00 85.93 ? 80 ASN G O 1 ATOM 283 C CB . ASN A 1 37 ? -46.255 -7.758 3.040 1.00 89.97 ? 80 ASN G CB 1 ATOM 284 C CG . ASN A 1 37 ? -46.312 -8.351 4.433 1.00 102.50 ? 80 ASN G CG 1 ATOM 285 O OD1 . ASN A 1 37 ? -45.297 -8.788 4.975 1.00 106.41 ? 80 ASN G OD1 1 ATOM 286 N ND2 . ASN A 1 37 ? -47.502 -8.366 5.023 1.00 107.52 ? 80 ASN G ND2 1 ATOM 287 N N . PRO A 1 38 ? -43.594 -6.478 0.830 1.00 78.24 ? 81 PRO G N 1 ATOM 288 C CA . PRO A 1 38 ? -43.320 -6.229 -0.591 1.00 79.33 ? 81 PRO G CA 1 ATOM 289 C C . PRO A 1 38 ? -43.716 -7.419 -1.459 1.00 78.04 ? 81 PRO G C 1 ATOM 290 O O . PRO A 1 38 ? -43.600 -8.562 -1.018 1.00 79.53 ? 81 PRO G O 1 ATOM 291 C CB . PRO A 1 38 ? -41.802 -6.009 -0.629 1.00 74.72 ? 81 PRO G CB 1 ATOM 292 C CG . PRO A 1 38 ? -41.414 -5.692 0.778 1.00 75.59 ? 81 PRO G CG 1 ATOM 293 C CD . PRO A 1 38 ? -42.363 -6.464 1.636 1.00 76.85 ? 81 PRO G CD 1 ATOM 294 N N . GLN A 1 39 ? -44.175 -7.154 -2.677 1.00 77.40 ? 82 GLN G N 1 ATOM 295 C CA . GLN A 1 39 ? -44.617 -8.224 -3.562 1.00 78.73 ? 82 GLN G CA 1 ATOM 296 C C . GLN A 1 39 ? -43.733 -8.332 -4.801 1.00 78.65 ? 82 GLN G C 1 ATOM 297 O O . GLN A 1 39 ? -43.653 -7.403 -5.605 1.00 80.76 ? 82 GLN G O 1 ATOM 298 C CB . GLN A 1 39 ? -46.075 -8.005 -3.970 1.00 83.46 ? 82 GLN G CB 1 ATOM 299 C CG . GLN A 1 39 ? -46.720 -9.211 -4.631 1.00 94.77 ? 82 GLN G CG 1 ATOM 300 C CD . GLN A 1 39 ? -48.197 -9.006 -4.900 1.00 105.65 ? 82 GLN G CD 1 ATOM 301 O OE1 . GLN A 1 39 ? -48.714 -7.895 -4.775 1.00 110.62 ? 82 GLN G OE1 1 ATOM 302 N NE2 . GLN A 1 39 ? -48.887 -10.080 -5.267 1.00 107.13 ? 82 GLN G NE2 1 ATOM 303 N N . GLU A 1 40 ? -43.070 -9.475 -4.946 1.00 74.99 ? 83 GLU G N 1 ATOM 304 C CA . GLU A 1 40 ? -42.219 -9.732 -6.102 1.00 70.39 ? 83 GLU G CA 1 ATOM 305 C C . GLU A 1 40 ? -42.770 -10.887 -6.931 1.00 74.90 ? 83 GLU G C 1 ATOM 306 O O . GLU A 1 40 ? -42.982 -11.987 -6.419 1.00 79.71 ? 83 GLU G O 1 ATOM 307 C CB . GLU A 1 40 ? -40.785 -10.030 -5.659 1.00 69.37 ? 83 GLU G CB 1 ATOM 308 C CG . GLU A 1 40 ? -39.816 -10.267 -6.807 1.00 72.05 ? 83 GLU G CG 1 ATOM 309 C CD . GLU A 1 40 ? -38.366 -10.226 -6.362 1.00 71.31 ? 83 GLU G CD 1 ATOM 310 O OE1 . GLU A 1 40 ? -38.123 -10.094 -5.143 1.00 68.41 ? 83 GLU G OE1 1 ATOM 311 O OE2 . GLU A 1 40 ? -37.470 -10.320 -7.229 1.00 56.81 ? 83 GLU G OE2 1 ATOM 312 N N . ILE A 1 41 ? -42.999 -10.628 -8.214 1.00 68.61 ? 84 ILE G N 1 ATOM 313 C CA . ILE A 1 41 ? -43.595 -11.614 -9.107 1.00 73.62 ? 84 ILE G CA 1 ATOM 314 C C . ILE A 1 41 ? -42.613 -12.053 -10.188 1.00 72.11 ? 84 ILE G C 1 ATOM 315 O O . ILE A 1 41 ? -42.282 -11.279 -11.086 1.00 60.58 ? 84 ILE G O 1 ATOM 316 C CB . ILE A 1 41 ? -44.863 -11.061 -9.782 1.00 81.43 ? 84 ILE G CB 1 ATOM 317 C CG1 . ILE A 1 41 ? -45.762 -10.376 -8.749 1.00 84.14 ? 84 ILE G CG1 1 ATOM 318 C CG2 . ILE A 1 41 ? -45.606 -12.170 -10.512 1.00 85.35 ? 84 ILE G CG2 1 ATOM 319 C CD1 . ILE A 1 41 ? -46.928 -9.629 -9.357 1.00 86.07 ? 84 ILE G CD1 1 ATOM 320 N N . HIS A 1 42 ? -42.155 -13.299 -10.102 1.00 71.21 ? 85 HIS G N 1 ATOM 321 C CA . HIS A 1 42 ? -41.179 -13.817 -11.054 1.00 78.79 ? 85 HIS G CA 1 ATOM 322 C C . HIS A 1 42 ? -41.836 -14.150 -12.390 1.00 78.23 ? 85 HIS G C 1 ATOM 323 O O . HIS A 1 42 ? -42.749 -14.970 -12.458 1.00 87.67 ? 85 HIS G O 1 ATOM 324 C CB . HIS A 1 42 ? -40.474 -15.048 -10.479 1.00 90.75 ? 85 HIS G CB 1 ATOM 325 C CG . HIS A 1 42 ? -39.686 -14.764 -9.237 1.00 102.69 ? 85 HIS G CG 1 ATOM 326 N ND1 . HIS A 1 42 ? -40.249 -14.774 -7.979 1.00 107.99 ? 85 HIS G ND1 1 ATOM 327 C CD2 . HIS A 1 42 ? -38.381 -14.449 -9.063 1.00 104.24 ? 85 HIS G CD2 1 ATOM 328 C CE1 . HIS A 1 42 ? -39.323 -14.484 -7.082 1.00 106.02 ? 85 HIS G CE1 1 ATOM 329 N NE2 . HIS A 1 42 ? -38.181 -14.282 -7.714 1.00 105.58 ? 85 HIS G NE2 1 ATOM 330 N N . LEU A 1 43 ? -41.362 -13.502 -13.449 1.00 75.01 ? 86 LEU G N 1 ATOM 331 C CA . LEU A 1 43 ? -41.950 -13.652 -14.775 1.00 82.21 ? 86 LEU G CA 1 ATOM 332 C C . LEU A 1 43 ? -41.338 -14.825 -15.534 1.00 88.67 ? 86 LEU G C 1 ATOM 333 O O . LEU A 1 43 ? -40.171 -14.786 -15.926 1.00 96.75 ? 86 LEU G O 1 ATOM 334 C CB . LEU A 1 43 ? -41.780 -12.360 -15.576 1.00 80.54 ? 86 LEU G CB 1 ATOM 335 C CG . LEU A 1 43 ? -42.276 -11.092 -14.879 1.00 74.63 ? 86 LEU G CG 1 ATOM 336 C CD1 . LEU A 1 43 ? -42.105 -9.876 -15.776 1.00 68.63 ? 86 LEU G CD1 1 ATOM 337 C CD2 . LEU A 1 43 ? -43.727 -11.250 -14.449 1.00 76.39 ? 86 LEU G CD2 1 ATOM 338 N N . GLU A 1 44 ? -42.141 -15.863 -15.745 1.00 85.72 ? 87 GLU G N 1 ATOM 339 C CA . GLU A 1 44 ? -41.681 -17.076 -16.407 1.00 87.09 ? 87 GLU G CA 1 ATOM 340 C C . GLU A 1 44 ? -41.746 -16.923 -17.926 1.00 88.05 ? 87 GLU G C 1 ATOM 341 O O . GLU A 1 44 ? -42.641 -16.259 -18.449 1.00 91.31 ? 87 GLU G O 1 ATOM 342 C CB . GLU A 1 44 ? -42.517 -18.274 -15.945 1.00 95.02 ? 87 GLU G CB 1 ATOM 343 C CG . GLU A 1 44 ? -41.891 -19.632 -16.218 1.00 106.70 ? 87 GLU G CG 1 ATOM 344 C CD . GLU A 1 44 ? -42.563 -20.745 -15.434 1.00 115.23 ? 87 GLU G CD 1 ATOM 345 O OE1 . GLU A 1 44 ? -43.307 -20.434 -14.479 1.00 112.06 ? 87 GLU G OE1 1 ATOM 346 O OE2 . GLU A 1 44 ? -42.348 -21.929 -15.771 1.00 122.31 ? 87 GLU G OE2 1 ATOM 347 N N . ASN A 1 45 ? -40.784 -17.533 -18.618 1.00 89.57 ? 88 ASN G N 1 ATOM 348 C CA . ASN A 1 45 ? -40.682 -17.469 -20.079 1.00 95.46 ? 88 ASN G CA 1 ATOM 349 C C . ASN A 1 45 ? -40.603 -16.040 -20.616 1.00 88.83 ? 88 ASN G C 1 ATOM 350 O O . ASN A 1 45 ? -41.060 -15.758 -21.725 1.00 86.28 ? 88 ASN G O 1 ATOM 351 C CB . ASN A 1 45 ? -41.861 -18.198 -20.731 1.00 95.98 ? 88 ASN G CB 1 ATOM 352 C CG . ASN A 1 45 ? -41.862 -19.686 -20.437 1.00 100.30 ? 88 ASN G CG 1 ATOM 353 O OD1 . ASN A 1 45 ? -41.138 -20.157 -19.560 1.00 100.16 ? 88 ASN G OD1 1 ATOM 354 N ND2 . ASN A 1 45 ? -42.679 -20.434 -21.170 1.00 104.03 ? 88 ASN G ND2 1 ATOM 355 N N . VAL A 1 46 ? -40.015 -15.145 -19.829 1.00 82.37 ? 89 VAL G N 1 ATOM 356 C CA . VAL A 1 46 ? -39.896 -13.743 -20.214 1.00 75.07 ? 89 VAL G CA 1 ATOM 357 C C . VAL A 1 46 ? -38.437 -13.305 -20.274 1.00 80.81 ? 89 VAL G C 1 ATOM 358 O O . VAL A 1 46 ? -37.697 -13.449 -19.301 1.00 89.29 ? 89 VAL G O 1 ATOM 359 C CB . VAL A 1 46 ? -40.653 -12.823 -19.237 1.00 72.45 ? 89 VAL G CB 1 ATOM 360 C CG1 . VAL A 1 46 ? -40.423 -11.362 -19.593 1.00 66.82 ? 89 VAL G CG1 1 ATOM 361 C CG2 . VAL A 1 46 ? -42.137 -13.151 -19.240 1.00 75.63 ? 89 VAL G CG2 1 ATOM 362 N N . THR A 1 47 ? -38.031 -12.768 -21.420 1.00 76.28 ? 90 THR G N 1 ATOM 363 C CA . THR A 1 47 ? -36.676 -12.256 -21.587 1.00 73.50 ? 90 THR G CA 1 ATOM 364 C C . THR A 1 47 ? -36.699 -10.769 -21.933 1.00 69.95 ? 90 THR G C 1 ATOM 365 O O . THR A 1 47 ? -37.271 -10.365 -22.945 1.00 74.80 ? 90 THR G O 1 ATOM 366 C CB . THR A 1 47 ? -35.912 -13.030 -22.678 1.00 74.79 ? 90 THR G CB 1 ATOM 367 O OG1 . THR A 1 47 ? -35.882 -14.423 -22.344 1.00 79.75 ? 90 THR G OG1 1 ATOM 368 C CG2 . THR A 1 47 ? -34.487 -12.514 -22.800 1.00 69.83 ? 90 THR G CG2 1 ATOM 369 N N . GLU A 1 48 ? -36.076 -9.959 -21.082 1.00 63.74 ? 91 GLU G N 1 ATOM 370 C CA . GLU A 1 48 ? -36.062 -8.511 -21.261 1.00 60.09 ? 91 GLU G CA 1 ATOM 371 C C . GLU A 1 48 ? -34.651 -7.970 -21.446 1.00 62.62 ? 91 GLU G C 1 ATOM 372 O O . GLU A 1 48 ? -33.696 -8.491 -20.872 1.00 71.34 ? 91 GLU G O 1 ATOM 373 C CB . GLU A 1 48 ? -36.721 -7.820 -20.062 1.00 60.77 ? 91 GLU G CB 1 ATOM 374 C CG . GLU A 1 48 ? -38.239 -7.808 -20.100 1.00 74.28 ? 91 GLU G CG 1 ATOM 375 C CD . GLU A 1 48 ? -38.790 -6.782 -21.072 1.00 84.48 ? 91 GLU G CD 1 ATOM 376 O OE1 . GLU A 1 48 ? -38.036 -5.866 -21.463 1.00 82.88 ? 91 GLU G OE1 1 ATOM 377 O OE2 . GLU A 1 48 ? -39.977 -6.891 -21.446 1.00 95.51 ? 91 GLU G OE2 1 ATOM 378 N N . ASN A 1 49 ? -34.527 -6.919 -22.250 1.00 60.02 ? 92 ASN G N 1 ATOM 379 C CA . ASN A 1 49 ? -33.258 -6.215 -22.390 1.00 62.84 ? 92 ASN G CA 1 ATOM 380 C C . ASN A 1 49 ? -33.133 -5.088 -21.371 1.00 56.02 ? 92 ASN G C 1 ATOM 381 O O . ASN A 1 49 ? -34.118 -4.433 -21.031 1.00 62.47 ? 92 ASN G O 1 ATOM 382 C CB . ASN A 1 49 ? -33.101 -5.655 -23.804 1.00 70.49 ? 92 ASN G CB 1 ATOM 383 C CG . ASN A 1 49 ? -32.868 -6.737 -24.836 1.00 78.61 ? 92 ASN G CG 1 ATOM 384 O OD1 . ASN A 1 49 ? -31.800 -7.348 -24.878 1.00 79.55 ? 92 ASN G OD1 1 ATOM 385 N ND2 . ASN A 1 49 ? -33.863 -6.974 -25.681 1.00 86.08 ? 92 ASN G ND2 1 ATOM 386 N N . PHE A 1 50 ? -31.915 -4.875 -20.884 1.00 46.33 ? 93 PHE G N 1 ATOM 387 C CA . PHE A 1 50 ? -31.639 -3.807 -19.930 1.00 47.34 ? 93 PHE G CA 1 ATOM 388 C C . PHE A 1 50 ? -30.457 -2.963 -20.395 1.00 51.47 ? 93 PHE G C 1 ATOM 389 O O . PHE A 1 50 ? -29.684 -3.378 -21.260 1.00 55.17 ? 93 PHE G O 1 ATOM 390 C CB . PHE A 1 50 ? -31.347 -4.380 -18.540 1.00 54.52 ? 93 PHE G CB 1 ATOM 391 C CG . PHE A 1 50 ? -32.559 -4.911 -17.823 1.00 58.24 ? 93 PHE G CG 1 ATOM 392 C CD1 . PHE A 1 50 ? -33.136 -6.113 -18.198 1.00 65.65 ? 93 PHE G CD1 1 ATOM 393 C CD2 . PHE A 1 50 ? -33.101 -4.220 -16.750 1.00 60.63 ? 93 PHE G CD2 1 ATOM 394 C CE1 . PHE A 1 50 ? -34.244 -6.606 -17.530 1.00 66.63 ? 93 PHE G CE1 1 ATOM 395 C CE2 . PHE A 1 50 ? -34.206 -4.709 -16.077 1.00 59.84 ? 93 PHE G CE2 1 ATOM 396 C CZ . PHE A 1 50 ? -34.779 -5.902 -16.468 1.00 63.59 ? 93 PHE G CZ 1 ATOM 397 N N . ASN A 1 51 ? -30.322 -1.776 -19.814 1.00 47.73 ? 94 ASN G N 1 ATOM 398 C CA . ASN A 1 51 ? -29.178 -0.915 -20.085 1.00 45.15 ? 94 ASN G CA 1 ATOM 399 C C . ASN A 1 51 ? -28.965 0.063 -18.936 1.00 47.54 ? 94 ASN G C 1 ATOM 400 O O . ASN A 1 51 ? -29.556 1.143 -18.909 1.00 51.36 ? 94 ASN G O 1 ATOM 401 C CB . ASN A 1 51 ? -29.363 -0.156 -21.405 1.00 41.98 ? 94 ASN G CB 1 ATOM 402 C CG . ASN A 1 51 ? -28.082 0.516 -21.877 1.00 52.08 ? 94 ASN G CG 1 ATOM 403 O OD1 . ASN A 1 51 ? -27.116 0.639 -21.123 1.00 52.42 ? 94 ASN G OD1 1 ATOM 404 N ND2 . ASN A 1 51 ? -28.071 0.958 -23.130 1.00 62.57 ? 94 ASN G ND2 1 ATOM 405 N N . MET A 1 52 ? -28.107 -0.325 -17.997 1.00 43.07 ? 95 MET G N 1 ATOM 406 C CA . MET A 1 52 ? -27.831 0.469 -16.800 1.00 42.64 ? 95 MET G CA 1 ATOM 407 C C . MET A 1 52 ? -27.268 1.858 -17.107 1.00 41.77 ? 95 MET G C 1 ATOM 408 O O . MET A 1 52 ? -27.311 2.755 -16.264 1.00 37.10 ? 95 MET G O 1 ATOM 409 C CB . MET A 1 52 ? -26.852 -0.281 -15.898 1.00 43.14 ? 95 MET G CB 1 ATOM 410 C CG . MET A 1 52 ? -25.540 -0.609 -16.591 1.00 47.15 ? 95 MET G CG 1 ATOM 411 S SD . MET A 1 52 ? -24.294 -1.305 -15.494 1.00 42.36 ? 95 MET G SD 1 ATOM 412 C CE . MET A 1 52 ? -24.087 0.031 -14.314 1.00 33.95 ? 95 MET G CE 1 ATOM 413 N N . TRP A 1 53 ? -26.739 2.029 -18.314 1.00 48.84 ? 96 TRP G N 1 ATOM 414 C CA . TRP A 1 53 ? -26.086 3.276 -18.693 1.00 50.37 ? 96 TRP G CA 1 ATOM 415 C C . TRP A 1 53 ? -27.067 4.253 -19.328 1.00 45.85 ? 96 TRP G C 1 ATOM 416 O O . TRP A 1 53 ? -26.737 5.415 -19.564 1.00 51.01 ? 96 TRP G O 1 ATOM 417 C CB . TRP A 1 53 ? -24.918 2.983 -19.637 1.00 51.84 ? 96 TRP G CB 1 ATOM 418 C CG . TRP A 1 53 ? -23.958 2.019 -19.023 1.00 53.12 ? 96 TRP G CG 1 ATOM 419 C CD1 . TRP A 1 53 ? -23.857 0.683 -19.280 1.00 46.31 ? 96 TRP G CD1 1 ATOM 420 C CD2 . TRP A 1 53 ? -22.989 2.308 -18.008 1.00 55.46 ? 96 TRP G CD2 1 ATOM 421 N NE1 . TRP A 1 53 ? -22.872 0.125 -18.501 1.00 49.50 ? 96 TRP G NE1 1 ATOM 422 C CE2 . TRP A 1 53 ? -22.324 1.101 -17.710 1.00 48.19 ? 96 TRP G CE2 1 ATOM 423 C CE3 . TRP A 1 53 ? -22.612 3.472 -17.330 1.00 51.41 ? 96 TRP G CE3 1 ATOM 424 C CZ2 . TRP A 1 53 ? -21.303 1.025 -16.763 1.00 46.81 ? 96 TRP G CZ2 1 ATOM 425 C CZ3 . TRP A 1 53 ? -21.598 3.394 -16.387 1.00 55.78 ? 96 TRP G CZ3 1 ATOM 426 C CH2 . TRP A 1 53 ? -20.956 2.180 -16.114 1.00 47.08 ? 96 TRP G CH2 1 ATOM 427 N N . LYS A 1 54 ? -28.276 3.774 -19.594 1.00 42.89 ? 97 LYS G N 1 ATOM 428 C CA . LYS A 1 54 ? -29.336 4.610 -20.143 1.00 47.27 ? 97 LYS G CA 1 ATOM 429 C C . LYS A 1 54 ? -30.613 4.405 -19.336 1.00 50.84 ? 97 LYS G C 1 ATOM 430 O O . LYS A 1 54 ? -31.704 4.263 -19.887 1.00 58.82 ? 97 LYS G O 1 ATOM 431 C CB . LYS A 1 54 ? -29.568 4.292 -21.621 1.00 49.09 ? 97 LYS G CB 1 ATOM 432 C CG . LYS A 1 54 ? -28.410 4.686 -22.526 1.00 60.83 ? 97 LYS G CG 1 ATOM 433 C CD . LYS A 1 54 ? -28.266 6.199 -22.617 1.00 66.33 ? 97 LYS G CD 1 ATOM 434 C CE . LYS A 1 54 ? -27.039 6.596 -23.426 1.00 69.86 ? 97 LYS G CE 1 ATOM 435 N NZ . LYS A 1 54 ? -25.770 6.272 -22.715 1.00 67.71 ? 97 LYS G NZ 1 ATOM 436 N N . ASN A 1 55 ? -30.452 4.386 -18.019 1.00 54.13 ? 98 ASN G N 1 ATOM 437 C CA . ASN A 1 55 ? -31.554 4.179 -17.092 1.00 52.94 ? 98 ASN G CA 1 ATOM 438 C C . ASN A 1 55 ? -31.882 5.476 -16.363 1.00 52.03 ? 98 ASN G C 1 ATOM 439 O O . ASN A 1 55 ? -31.120 5.923 -15.510 1.00 53.76 ? 98 ASN G O 1 ATOM 440 C CB . ASN A 1 55 ? -31.197 3.072 -16.102 1.00 44.33 ? 98 ASN G CB 1 ATOM 441 C CG . ASN A 1 55 ? -32.283 2.822 -15.078 1.00 46.04 ? 98 ASN G CG 1 ATOM 442 O OD1 . ASN A 1 55 ? -33.432 3.225 -15.258 1.00 52.57 ? 98 ASN G OD1 1 ATOM 443 N ND2 . ASN A 1 55 ? -31.925 2.138 -13.997 1.00 45.80 ? 98 ASN G ND2 1 ATOM 444 N N . ASN A 1 56 ? -33.017 6.079 -16.703 1.00 52.38 ? 99 ASN G N 1 ATOM 445 C CA . ASN A 1 56 ? -33.354 7.406 -16.196 1.00 56.05 ? 99 ASN G CA 1 ATOM 446 C C . ASN A 1 56 ? -33.761 7.432 -14.723 1.00 50.25 ? 99 ASN G C 1 ATOM 447 O O . ASN A 1 56 ? -34.007 8.503 -14.166 1.00 40.69 ? 99 ASN G O 1 ATOM 448 C CB . ASN A 1 56 ? -34.463 8.026 -17.049 1.00 61.10 ? 99 ASN G CB 1 ATOM 449 C CG . ASN A 1 56 ? -33.941 8.598 -18.355 1.00 77.11 ? 99 ASN G CG 1 ATOM 450 O OD1 . ASN A 1 56 ? -32.783 8.390 -18.720 1.00 76.13 ? 99 ASN G OD1 1 ATOM 451 N ND2 . ASN A 1 56 ? -34.796 9.323 -19.067 1.00 85.91 ? 99 ASN G ND2 1 ATOM 452 N N . MET A 1 57 ? -33.831 6.263 -14.091 1.00 44.75 ? 100 MET G N 1 ATOM 453 C CA . MET A 1 57 ? -34.014 6.205 -12.645 1.00 49.03 ? 100 MET G CA 1 ATOM 454 C C . MET A 1 57 ? -32.818 6.875 -11.985 1.00 53.16 ? 100 MET G C 1 ATOM 455 O O . MET A 1 57 ? -32.937 7.497 -10.930 1.00 51.64 ? 100 MET G O 1 ATOM 456 C CB . MET A 1 57 ? -34.155 4.761 -12.153 1.00 51.78 ? 100 MET G CB 1 ATOM 457 C CG . MET A 1 57 ? -35.331 4.002 -12.748 1.00 50.48 ? 100 MET G CG 1 ATOM 458 S SD . MET A 1 57 ? -35.362 2.267 -12.248 1.00 51.46 ? 100 MET G SD 1 ATOM 459 C CE . MET A 1 57 ? -35.810 2.409 -10.514 1.00 36.11 ? 100 MET G CE 1 ATOM 460 N N . VAL A 1 58 ? -31.665 6.740 -12.632 1.00 48.01 ? 101 VAL G N 1 ATOM 461 C CA . VAL A 1 58 ? -30.424 7.328 -12.153 1.00 48.95 ? 101 VAL G CA 1 ATOM 462 C C . VAL A 1 58 ? -30.514 8.849 -12.098 1.00 51.08 ? 101 VAL G C 1 ATOM 463 O O . VAL A 1 58 ? -30.032 9.474 -11.152 1.00 43.43 ? 101 VAL G O 1 ATOM 464 C CB . VAL A 1 58 ? -29.242 6.913 -13.048 1.00 49.22 ? 101 VAL G CB 1 ATOM 465 C CG1 . VAL A 1 58 ? -27.972 7.651 -12.652 1.00 54.57 ? 101 VAL G CG1 1 ATOM 466 C CG2 . VAL A 1 58 ? -29.045 5.409 -12.979 1.00 43.02 ? 101 VAL G CG2 1 ATOM 467 N N . GLU A 1 59 ? -31.144 9.439 -13.109 1.00 45.78 ? 102 GLU G N 1 ATOM 468 C CA . GLU A 1 59 ? -31.286 10.889 -13.167 1.00 45.41 ? 102 GLU G CA 1 ATOM 469 C C . GLU A 1 59 ? -32.100 11.418 -11.988 1.00 50.19 ? 102 GLU G C 1 ATOM 470 O O . GLU A 1 59 ? -31.746 12.434 -11.389 1.00 51.79 ? 102 GLU G O 1 ATOM 471 C CB . GLU A 1 59 ? -31.936 11.317 -14.486 1.00 50.50 ? 102 GLU G CB 1 ATOM 472 C CG . GLU A 1 59 ? -31.194 10.845 -15.729 1.00 53.11 ? 102 GLU G CG 1 ATOM 473 C CD . GLU A 1 59 ? -29.790 11.409 -15.826 1.00 59.34 ? 102 GLU G CD 1 ATOM 474 O OE1 . GLU A 1 59 ? -29.580 12.567 -15.403 1.00 57.01 ? 102 GLU G OE1 1 ATOM 475 O OE2 . GLU A 1 59 ? -28.895 10.693 -16.323 1.00 65.91 ? 102 GLU G OE2 1 ATOM 476 N N . GLN A 1 60 ? -33.185 10.729 -11.649 1.00 49.19 ? 103 GLN G N 1 ATOM 477 C CA . GLN A 1 60 ? -34.042 11.190 -10.563 1.00 53.67 ? 103 GLN G CA 1 ATOM 478 C C . GLN A 1 60 ? -33.344 11.082 -9.209 1.00 45.10 ? 103 GLN G C 1 ATOM 479 O O . GLN A 1 60 ? -33.452 11.989 -8.383 1.00 52.29 ? 103 GLN G O 1 ATOM 480 C CB . GLN A 1 60 ? -35.361 10.416 -10.535 1.00 45.14 ? 103 GLN G CB 1 ATOM 481 C CG . GLN A 1 60 ? -36.264 10.833 -9.381 1.00 49.99 ? 103 GLN G CG 1 ATOM 482 C CD . GLN A 1 60 ? -37.708 10.424 -9.577 1.00 58.57 ? 103 GLN G CD 1 ATOM 483 O OE1 . GLN A 1 60 ? -38.101 9.978 -10.656 1.00 60.36 ? 103 GLN G OE1 1 ATOM 484 N NE2 . GLN A 1 60 ? -38.511 10.580 -8.531 1.00 59.72 ? 103 GLN G NE2 1 ATOM 485 N N . MET A 1 61 ? -32.624 9.986 -8.981 1.00 45.50 ? 104 MET G N 1 ATOM 486 C CA . MET A 1 61 ? -31.901 9.825 -7.722 1.00 43.79 ? 104 MET G CA 1 ATOM 487 C C . MET A 1 61 ? -30.830 10.898 -7.593 1.00 43.77 ? 104 MET G C 1 ATOM 488 O O . MET A 1 61 ? -30.603 11.431 -6.507 1.00 40.08 ? 104 MET G O 1 ATOM 489 C CB . MET A 1 61 ? -31.263 8.438 -7.604 1.00 41.02 ? 104 MET G CB 1 ATOM 490 C CG . MET A 1 61 ? -30.607 8.219 -6.240 1.00 45.31 ? 104 MET G CG 1 ATOM 491 S SD . MET A 1 61 ? -29.775 6.639 -5.986 1.00 48.14 ? 104 MET G SD 1 ATOM 492 C CE . MET A 1 61 ? -31.129 5.492 -6.200 1.00 54.54 ? 104 MET G CE 1 ATOM 493 N N . GLN A 1 62 ? -30.179 11.212 -8.709 1.00 40.71 ? 105 GLN G N 1 ATOM 494 C CA . GLN A 1 62 ? -29.172 12.266 -8.735 1.00 40.03 ? 105 GLN G CA 1 ATOM 495 C C . GLN A 1 62 ? -29.757 13.586 -8.251 1.00 41.45 ? 105 GLN G C 1 ATOM 496 O O . GLN A 1 62 ? -29.166 14.258 -7.410 1.00 35.82 ? 105 GLN G O 1 ATOM 497 C CB . GLN A 1 62 ? -28.597 12.432 -10.142 1.00 33.87 ? 105 GLN G CB 1 ATOM 498 C CG . GLN A 1 62 ? -27.637 13.610 -10.293 1.00 35.73 ? 105 GLN G CG 1 ATOM 499 C CD . GLN A 1 62 ? -26.256 13.327 -9.725 1.00 46.93 ? 105 GLN G CD 1 ATOM 500 O OE1 . GLN A 1 62 ? -26.037 12.311 -9.064 1.00 47.05 ? 105 GLN G OE1 1 ATOM 501 N NE2 . GLN A 1 62 ? -25.314 14.225 -9.989 1.00 34.66 ? 105 GLN G NE2 1 ATOM 502 N N . GLU A 1 63 ? -30.924 13.942 -8.780 1.00 46.06 ? 106 GLU G N 1 ATOM 503 C CA . GLU A 1 63 ? -31.605 15.173 -8.388 1.00 46.46 ? 106 GLU G CA 1 ATOM 504 C C . GLU A 1 63 ? -31.940 15.179 -6.903 1.00 52.00 ? 106 GLU G C 1 ATOM 505 O O . GLU A 1 63 ? -31.846 16.213 -6.243 1.00 46.91 ? 106 GLU G O 1 ATOM 506 C CB . GLU A 1 63 ? -32.887 15.364 -9.199 1.00 44.51 ? 106 GLU G CB 1 ATOM 507 C CG . GLU A 1 63 ? -32.670 15.634 -10.673 1.00 58.28 ? 106 GLU G CG 1 ATOM 508 C CD . GLU A 1 63 ? -33.979 15.771 -11.427 1.00 83.36 ? 106 GLU G CD 1 ATOM 509 O OE1 . GLU A 1 63 ? -33.943 16.107 -12.630 1.00 98.82 ? 106 GLU G OE1 1 ATOM 510 O OE2 . GLU A 1 63 ? -35.044 15.541 -10.815 1.00 85.22 ? 106 GLU G OE2 1 ATOM 511 N N . ASP A 1 64 ? -32.340 14.021 -6.385 1.00 51.96 ? 107 ASP G N 1 ATOM 512 C CA . ASP A 1 64 ? -32.708 13.904 -4.981 1.00 50.44 ? 107 ASP G CA 1 ATOM 513 C C . ASP A 1 64 ? -31.509 14.134 -4.069 1.00 49.44 ? 107 ASP G C 1 ATOM 514 O O . ASP A 1 64 ? -31.598 14.887 -3.099 1.00 55.55 ? 107 ASP G O 1 ATOM 515 C CB . ASP A 1 64 ? -33.325 12.533 -4.692 1.00 51.27 ? 107 ASP G CB 1 ATOM 516 C CG . ASP A 1 64 ? -34.762 12.427 -5.168 1.00 51.18 ? 107 ASP G CG 1 ATOM 517 O OD1 . ASP A 1 64 ? -35.359 13.471 -5.502 1.00 48.24 ? 107 ASP G OD1 1 ATOM 518 O OD2 . ASP A 1 64 ? -35.299 11.300 -5.199 1.00 50.48 ? 107 ASP G OD2 1 ATOM 519 N N . VAL A 1 65 ? -30.391 13.488 -4.382 1.00 43.20 ? 108 VAL G N 1 ATOM 520 C CA . VAL A 1 65 ? -29.204 13.586 -3.539 1.00 41.32 ? 108 VAL G CA 1 ATOM 521 C C . VAL A 1 65 ? -28.644 15.006 -3.557 1.00 45.97 ? 108 VAL G C 1 ATOM 522 O O . VAL A 1 65 ? -28.230 15.528 -2.519 1.00 46.56 ? 108 VAL G O 1 ATOM 523 C CB . VAL A 1 65 ? -28.117 12.585 -3.973 1.00 40.13 ? 108 VAL G CB 1 ATOM 524 C CG1 . VAL A 1 65 ? -26.897 12.699 -3.069 1.00 40.71 ? 108 VAL G CG1 1 ATOM 525 C CG2 . VAL A 1 65 ? -28.667 11.163 -3.935 1.00 33.43 ? 108 VAL G CG2 1 ATOM 526 N N . ILE A 1 66 ? -28.642 15.634 -4.732 1.00 44.81 ? 109 ILE G N 1 ATOM 527 C CA . ILE A 1 66 ? -28.242 17.034 -4.847 1.00 40.70 ? 109 ILE G CA 1 ATOM 528 C C . ILE A 1 66 ? -29.127 17.903 -3.959 1.00 45.82 ? 109 ILE G C 1 ATOM 529 O O . ILE A 1 66 ? -28.640 18.763 -3.221 1.00 49.01 ? 109 ILE G O 1 ATOM 530 C CB . ILE A 1 66 ? -28.328 17.541 -6.303 1.00 39.20 ? 109 ILE G CB 1 ATOM 531 C CG1 . ILE A 1 66 ? -27.255 16.878 -7.169 1.00 41.40 ? 109 ILE G CG1 1 ATOM 532 C CG2 . ILE A 1 66 ? -28.187 19.060 -6.354 1.00 40.51 ? 109 ILE G CG2 1 ATOM 533 C CD1 . ILE A 1 66 ? -27.291 17.313 -8.620 1.00 43.64 ? 109 ILE G CD1 1 ATOM 534 N N . SER A 1 67 ? -30.432 17.662 -4.035 1.00 43.62 ? 110 SER G N 1 ATOM 535 C CA . SER A 1 67 ? -31.401 18.386 -3.225 1.00 49.71 ? 110 SER G CA 1 ATOM 536 C C . SER A 1 67 ? -31.138 18.153 -1.742 1.00 52.35 ? 110 SER G C 1 ATOM 537 O O . SER A 1 67 ? -31.219 19.079 -0.934 1.00 52.77 ? 110 SER G O 1 ATOM 538 C CB . SER A 1 67 ? -32.825 17.960 -3.588 1.00 56.61 ? 110 SER G CB 1 ATOM 539 O OG . SER A 1 67 ? -33.776 18.572 -2.734 1.00 74.46 ? 110 SER G OG 1 ATOM 540 N N . LEU A 1 68 ? -30.816 16.908 -1.397 1.00 48.85 ? 111 LEU G N 1 ATOM 541 C CA . LEU A 1 68 ? -30.498 16.538 -0.021 1.00 54.12 ? 111 LEU G CA 1 ATOM 542 C C . LEU A 1 68 ? -29.280 17.318 0.465 1.00 53.04 ? 111 LEU G C 1 ATOM 543 O O . LEU A 1 68 ? -29.316 17.943 1.522 1.00 54.73 ? 111 LEU G O 1 ATOM 544 C CB . LEU A 1 68 ? -30.252 15.025 0.085 1.00 54.94 ? 111 LEU G CB 1 ATOM 545 C CG . LEU A 1 68 ? -30.223 14.324 1.452 1.00 56.91 ? 111 LEU G CG 1 ATOM 546 C CD1 . LEU A 1 68 ? -30.501 12.837 1.282 1.00 52.47 ? 111 LEU G CD1 1 ATOM 547 C CD2 . LEU A 1 68 ? -28.898 14.520 2.175 1.00 47.25 ? 111 LEU G CD2 1 ATOM 548 N N . TRP A 1 69 ? -28.208 17.285 -0.322 1.00 45.22 ? 112 TRP G N 1 ATOM 549 C CA . TRP A 1 69 ? -26.955 17.928 0.058 1.00 43.74 ? 112 TRP G CA 1 ATOM 550 C C . TRP A 1 69 ? -27.061 19.451 0.096 1.00 56.79 ? 112 TRP G C 1 ATOM 551 O O . TRP A 1 69 ? -26.541 20.086 1.013 1.00 63.70 ? 112 TRP G O 1 ATOM 552 C CB . TRP A 1 69 ? -25.838 17.507 -0.897 1.00 41.89 ? 112 TRP G CB 1 ATOM 553 C CG . TRP A 1 69 ? -25.196 16.206 -0.530 1.00 44.67 ? 112 TRP G CG 1 ATOM 554 C CD1 . TRP A 1 69 ? -25.811 14.993 -0.397 1.00 42.03 ? 112 TRP G CD1 1 ATOM 555 C CD2 . TRP A 1 69 ? -23.807 15.983 -0.260 1.00 41.82 ? 112 TRP G CD2 1 ATOM 556 N NE1 . TRP A 1 69 ? -24.891 14.031 -0.054 1.00 40.27 ? 112 TRP G NE1 1 ATOM 557 C CE2 . TRP A 1 69 ? -23.653 14.613 0.035 1.00 41.35 ? 112 TRP G CE2 1 ATOM 558 C CE3 . TRP A 1 69 ? -22.680 16.810 -0.234 1.00 42.74 ? 112 TRP G CE3 1 ATOM 559 C CZ2 . TRP A 1 69 ? -22.417 14.051 0.348 1.00 42.72 ? 112 TRP G CZ2 1 ATOM 560 C CZ3 . TRP A 1 69 ? -21.453 16.249 0.076 1.00 50.54 ? 112 TRP G CZ3 1 ATOM 561 C CH2 . TRP A 1 69 ? -21.332 14.884 0.363 1.00 47.03 ? 112 TRP G CH2 1 ATOM 562 N N . ASP A 1 70 ? -27.727 20.032 -0.899 1.00 64.16 ? 113 ASP G N 1 ATOM 563 C CA . ASP A 1 70 ? -27.916 21.481 -0.952 1.00 69.43 ? 113 ASP G CA 1 ATOM 564 C C . ASP A 1 70 ? -28.650 22.007 0.277 1.00 78.42 ? 113 ASP G C 1 ATOM 565 O O . ASP A 1 70 ? -28.289 23.047 0.830 1.00 87.00 ? 113 ASP G O 1 ATOM 566 C CB . ASP A 1 70 ? -28.688 21.883 -2.212 1.00 68.87 ? 113 ASP G CB 1 ATOM 567 C CG . ASP A 1 70 ? -27.787 22.072 -3.412 1.00 75.37 ? 113 ASP G CG 1 ATOM 568 O OD1 . ASP A 1 70 ? -26.551 22.115 -3.229 1.00 78.00 ? 113 ASP G OD1 1 ATOM 569 O OD2 . ASP A 1 70 ? -28.317 22.191 -4.537 1.00 77.51 ? 113 ASP G OD2 1 ATOM 570 N N . GLN A 1 71 ? -29.679 21.281 0.701 1.00 73.71 ? 114 GLN G N 1 ATOM 571 C CA . GLN A 1 71 ? -30.536 21.735 1.788 1.00 85.24 ? 114 GLN G CA 1 ATOM 572 C C . GLN A 1 71 ? -30.040 21.305 3.166 1.00 80.35 ? 114 GLN G C 1 ATOM 573 O O . GLN A 1 71 ? -30.690 21.583 4.172 1.00 88.15 ? 114 GLN G O 1 ATOM 574 C CB . GLN A 1 71 ? -31.965 21.223 1.579 1.00 95.57 ? 114 GLN G CB 1 ATOM 575 C CG . GLN A 1 71 ? -32.660 21.797 0.355 1.00 107.05 ? 114 GLN G CG 1 ATOM 576 C CD . GLN A 1 71 ? -34.094 21.320 0.221 1.00 111.62 ? 114 GLN G CD 1 ATOM 577 O OE1 . GLN A 1 71 ? -34.413 20.173 0.540 1.00 109.01 ? 114 GLN G OE1 1 ATOM 578 N NE2 . GLN A 1 71 ? -34.970 22.203 -0.248 1.00 113.08 ? 114 GLN G NE2 1 ATOM 579 N N . SER A 1 72 ? -28.891 20.639 3.219 1.00 76.17 ? 115 SER G N 1 ATOM 580 C CA . SER A 1 72 ? -28.426 20.072 4.481 1.00 72.05 ? 115 SER G CA 1 ATOM 581 C C . SER A 1 72 ? -26.954 20.334 4.787 1.00 64.80 ? 115 SER G C 1 ATOM 582 O O . SER A 1 72 ? -26.595 20.587 5.935 1.00 64.39 ? 115 SER G O 1 ATOM 583 C CB . SER A 1 72 ? -28.679 18.569 4.494 1.00 77.69 ? 115 SER G CB 1 ATOM 584 O OG . SER A 1 72 ? -30.045 18.278 4.253 1.00 85.65 ? 115 SER G OG 1 ATOM 585 N N . LEU A 1 73 ? -26.101 20.258 3.771 1.00 57.65 ? 116 LEU G N 1 ATOM 586 C CA . LEU A 1 73 ? -24.679 20.517 3.974 1.00 55.29 ? 116 LEU G CA 1 ATOM 587 C C . LEU A 1 73 ? -24.302 21.892 3.445 1.00 63.13 ? 116 LEU G C 1 ATOM 588 O O . LEU A 1 73 ? -23.522 22.016 2.500 1.00 62.46 ? 116 LEU G O 1 ATOM 589 C CB . LEU A 1 73 ? -23.821 19.441 3.307 1.00 54.63 ? 116 LEU G CB 1 ATOM 590 C CG . LEU A 1 73 ? -23.689 18.112 4.054 1.00 62.84 ? 116 LEU G CG 1 ATOM 591 C CD1 . LEU A 1 73 ? -24.938 17.259 3.888 1.00 69.78 ? 116 LEU G CD1 1 ATOM 592 C CD2 . LEU A 1 73 ? -22.451 17.355 3.600 1.00 59.63 ? 116 LEU G CD2 1 ATOM 593 N N . GLN A 1 74 ? -24.858 22.924 4.067 1.00 64.62 ? 117 GLN G N 1 ATOM 594 C CA . GLN A 1 74 ? -24.610 24.294 3.645 1.00 73.15 ? 117 GLN G CA 1 ATOM 595 C C . GLN A 1 74 ? -23.243 24.780 4.116 1.00 69.11 ? 117 GLN G C 1 ATOM 596 O O . GLN A 1 74 ? -22.912 24.666 5.297 1.00 64.68 ? 117 GLN G O 1 ATOM 597 C CB . GLN A 1 74 ? -25.707 25.218 4.173 1.00 81.48 ? 117 GLN G CB 1 ATOM 598 C CG . GLN A 1 74 ? -27.113 24.723 3.881 1.00 84.09 ? 117 GLN G CG 1 ATOM 599 C CD . GLN A 1 74 ? -28.176 25.689 4.357 1.00 89.98 ? 117 GLN G CD 1 ATOM 600 O OE1 . GLN A 1 74 ? -27.893 26.855 4.631 1.00 91.47 ? 117 GLN G OE1 1 ATOM 601 N NE2 . GLN A 1 74 ? -29.410 25.207 4.461 1.00 93.54 ? 117 GLN G NE2 1 ATOM 602 N N . PRO A 1 75 ? -22.443 25.323 3.184 1.00 62.12 ? 118 PRO G N 1 ATOM 603 C CA . PRO A 1 75 ? -21.110 25.859 3.479 1.00 64.11 ? 118 PRO G CA 1 ATOM 604 C C . PRO A 1 75 ? -21.171 27.184 4.232 1.00 70.89 ? 118 PRO G C 1 ATOM 605 O O . PRO A 1 75 ? -22.196 27.865 4.195 1.00 71.93 ? 118 PRO G O 1 ATOM 606 C CB . PRO A 1 75 ? -20.491 26.066 2.087 1.00 63.72 ? 118 PRO G CB 1 ATOM 607 C CG . PRO A 1 75 ? -21.410 25.374 1.120 1.00 65.13 ? 118 PRO G CG 1 ATOM 608 C CD . PRO A 1 75 ? -22.759 25.406 1.749 1.00 61.24 ? 118 PRO G CD 1 ATOM 609 N N . CYS A 1 76 ? -20.083 27.541 4.907 1.00 74.65 ? 119 CYS G N 1 ATOM 610 C CA . CYS A 1 76 ? -19.970 28.856 5.523 1.00 75.74 ? 119 CYS G CA 1 ATOM 611 C C . CYS A 1 76 ? -19.874 29.893 4.416 1.00 70.84 ? 119 CYS G C 1 ATOM 612 O O . CYS A 1 76 ? -20.468 30.969 4.493 1.00 76.03 ? 119 CYS G O 1 ATOM 613 C CB . CYS A 1 76 ? -18.746 28.937 6.438 1.00 78.91 ? 119 CYS G CB 1 ATOM 614 S SG . CYS A 1 76 ? -18.478 27.484 7.481 1.00 102.98 ? 119 CYS G SG 1 ATOM 615 N N . VAL A 1 77 ? -19.110 29.547 3.386 1.00 57.44 ? 120 VAL G N 1 ATOM 616 C CA . VAL A 1 77 ? -18.939 30.389 2.211 1.00 65.52 ? 120 VAL G CA 1 ATOM 617 C C . VAL A 1 77 ? -19.095 29.549 0.946 1.00 68.64 ? 120 VAL G C 1 ATOM 618 O O . VAL A 1 77 ? -18.513 28.469 0.836 1.00 67.72 ? 120 VAL G O 1 ATOM 619 C CB . VAL A 1 77 ? -17.561 31.079 2.200 1.00 65.61 ? 120 VAL G CB 1 ATOM 620 C CG1 . VAL A 1 77 ? -17.420 31.954 0.968 1.00 73.62 ? 120 VAL G CG1 1 ATOM 621 C CG2 . VAL A 1 77 ? -17.358 31.902 3.467 1.00 61.22 ? 120 VAL G CG2 1 ATOM 622 N N . LYS A 1 78 ? -19.887 30.039 -0.004 1.00 71.74 ? 121 LYS G N 1 ATOM 623 C CA . LYS A 1 78 ? -20.062 29.341 -1.273 1.00 75.08 ? 121 LYS G CA 1 ATOM 624 C C . LYS A 1 78 ? -19.517 30.177 -2.426 1.00 69.89 ? 121 LYS G C 1 ATOM 625 O O . LYS A 1 78 ? -20.108 31.189 -2.804 1.00 67.85 ? 121 LYS G O 1 ATOM 626 C CB . LYS A 1 78 ? -21.537 29.010 -1.517 1.00 83.47 ? 121 LYS G CB 1 ATOM 627 C CG . LYS A 1 78 ? -21.767 27.975 -2.615 1.00 82.95 ? 121 LYS G CG 1 ATOM 628 C CD . LYS A 1 78 ? -23.187 28.038 -3.163 1.00 85.07 ? 121 LYS G CD 1 ATOM 629 C CE . LYS A 1 78 ? -24.228 27.985 -2.056 1.00 91.55 ? 121 LYS G CE 1 ATOM 630 N NZ . LYS A 1 78 ? -24.195 26.697 -1.311 1.00 95.42 ? 121 LYS G NZ 1 ATOM 631 N N . LEU A 1 79 ? -18.384 29.749 -2.976 1.00 64.72 ? 122 LEU G N 1 ATOM 632 C CA . LEU A 1 79 ? -17.780 30.424 -4.119 1.00 67.34 ? 122 LEU G CA 1 ATOM 633 C C . LEU A 1 79 ? -18.255 29.797 -5.425 1.00 74.76 ? 122 LEU G C 1 ATOM 634 O O . LEU A 1 79 ? -17.770 28.739 -5.824 1.00 71.52 ? 122 LEU G O 1 ATOM 635 C CB . LEU A 1 79 ? -16.254 30.366 -4.039 1.00 64.68 ? 122 LEU G CB 1 ATOM 636 C CG . LEU A 1 79 ? -15.596 30.876 -2.757 1.00 69.23 ? 122 LEU G CG 1 ATOM 637 C CD1 . LEU A 1 79 ? -14.084 30.871 -2.908 1.00 76.60 ? 122 LEU G CD1 1 ATOM 638 C CD2 . LEU A 1 79 ? -16.098 32.264 -2.414 1.00 74.50 ? 122 LEU G CD2 1 ATOM 639 N N . THR A 1 80 ? -19.205 30.449 -6.087 1.00 81.63 ? 123 THR G N 1 ATOM 640 C CA . THR A 1 80 ? -19.746 29.926 -7.335 1.00 88.55 ? 123 THR G CA 1 ATOM 641 C C . THR A 1 80 ? -20.206 31.040 -8.273 1.00 95.33 ? 123 THR G C 1 ATOM 642 O O . THR A 1 80 ? -20.876 31.986 -7.857 1.00 103.80 ? 123 THR G O 1 ATOM 643 C CB . THR A 1 80 ? -20.923 28.956 -7.071 1.00 95.39 ? 123 THR G CB 1 ATOM 644 O OG1 . THR A 1 80 ? -21.499 28.545 -8.317 1.00 109.00 ? 123 THR G OG1 1 ATOM 645 C CG2 . THR A 1 80 ? -21.993 29.614 -6.211 1.00 88.58 ? 123 THR G CG2 1 ATOM 646 N N . GLY A 1 81 ? -19.824 30.923 -9.541 1.00 90.98 ? 124 GLY G N 1 ATOM 647 C CA . GLY A 1 81 ? -20.246 31.859 -10.568 1.00 92.86 ? 124 GLY G CA 1 ATOM 648 C C . GLY A 1 81 ? -19.826 33.298 -10.336 1.00 92.89 ? 124 GLY G C 1 ATOM 649 O O . GLY A 1 81 ? -20.611 34.220 -10.560 1.00 98.92 ? 124 GLY G O 1 ATOM 650 N N . GLY A 1 82 ? -18.593 33.493 -9.880 1.00 91.56 ? 198 GLY G N 1 ATOM 651 C CA . GLY A 1 82 ? -18.058 34.827 -9.666 1.00 92.81 ? 198 GLY G CA 1 ATOM 652 C C . GLY A 1 82 ? -18.571 35.516 -8.413 1.00 95.51 ? 198 GLY G C 1 ATOM 653 O O . GLY A 1 82 ? -18.009 36.520 -7.974 1.00 98.09 ? 198 GLY G O 1 ATOM 654 N N . SER A 1 83 ? -19.638 34.976 -7.834 1.00 95.57 ? 199 SER G N 1 ATOM 655 C CA . SER A 1 83 ? -20.240 35.560 -6.642 1.00 94.68 ? 199 SER G CA 1 ATOM 656 C C . SER A 1 83 ? -19.798 34.831 -5.378 1.00 90.07 ? 199 SER G C 1 ATOM 657 O O . SER A 1 83 ? -19.216 33.748 -5.444 1.00 88.71 ? 199 SER G O 1 ATOM 658 C CB . SER A 1 83 ? -21.766 35.540 -6.750 1.00 96.21 ? 199 SER G CB 1 ATOM 659 O OG . SER A 1 83 ? -22.254 34.212 -6.823 1.00 93.20 ? 199 SER G OG 1 ATOM 660 N N . VAL A 1 84 ? -20.076 35.437 -4.229 1.00 90.00 ? 200 VAL G N 1 ATOM 661 C CA . VAL A 1 84 ? -19.715 34.862 -2.938 1.00 83.80 ? 200 VAL G CA 1 ATOM 662 C C . VAL A 1 84 ? -20.917 34.855 -1.999 1.00 84.47 ? 200 VAL G C 1 ATOM 663 O O . VAL A 1 84 ? -21.538 35.892 -1.768 1.00 93.65 ? 200 VAL G O 1 ATOM 664 C CB . VAL A 1 84 ? -18.559 35.639 -2.275 1.00 90.29 ? 200 VAL G CB 1 ATOM 665 C CG1 . VAL A 1 84 ? -18.230 35.045 -0.914 1.00 84.78 ? 200 VAL G CG1 1 ATOM 666 C CG2 . VAL A 1 84 ? -17.331 35.645 -3.174 1.00 95.69 ? 200 VAL G CG2 1 ATOM 667 N N . ILE A 1 85 ? -21.243 33.686 -1.458 1.00 80.57 ? 201 ILE G N 1 ATOM 668 C CA . ILE A 1 85 ? -22.399 33.554 -0.579 1.00 81.54 ? 201 ILE G CA 1 ATOM 669 C C . ILE A 1 85 ? -22.006 33.092 0.822 1.00 82.82 ? 201 ILE G C 1 ATOM 670 O O . ILE A 1 85 ? -21.496 31.988 1.003 1.00 79.08 ? 201 ILE G O 1 ATOM 671 C CB . ILE A 1 85 ? -23.431 32.571 -1.158 1.00 79.26 ? 201 ILE G CB 1 ATOM 672 C CG1 . ILE A 1 85 ? -23.909 33.052 -2.529 1.00 75.46 ? 201 ILE G CG1 1 ATOM 673 C CG2 . ILE A 1 85 ? -24.605 32.412 -0.205 1.00 79.52 ? 201 ILE G CG2 1 ATOM 674 C CD1 . ILE A 1 85 ? -24.974 32.177 -3.148 1.00 77.64 ? 201 ILE G CD1 1 ATOM 675 N N . LYS A 1 86 ? -22.254 33.947 1.810 1.00 87.14 ? 202 LYS G N 1 ATOM 676 C CA . LYS A 1 86 ? -21.929 33.642 3.198 1.00 80.39 ? 202 LYS G CA 1 ATOM 677 C C . LYS A 1 86 ? -23.175 33.233 3.977 1.00 82.19 ? 202 LYS G C 1 ATOM 678 O O . LYS A 1 86 ? -24.116 34.013 4.116 1.00 88.15 ? 202 LYS G O 1 ATOM 679 C CB . LYS A 1 86 ? -21.258 34.845 3.865 1.00 75.89 ? 202 LYS G CB 1 ATOM 680 C CG . LYS A 1 86 ? -19.974 35.288 3.181 1.00 81.09 ? 202 LYS G CG 1 ATOM 681 C CD . LYS A 1 86 ? -19.430 36.569 3.788 1.00 85.43 ? 202 LYS G CD 1 ATOM 682 C CE . LYS A 1 86 ? -18.162 37.015 3.077 1.00 88.61 ? 202 LYS G CE 1 ATOM 683 N NZ . LYS A 1 86 ? -17.651 38.308 3.610 1.00 94.92 ? 202 LYS G NZ 1 ATOM 684 N N . GLN A 1 87 ? -23.172 32.003 4.481 1.00 83.12 ? 203 GLN G N 1 ATOM 685 C CA . GLN A 1 87 ? -24.302 31.473 5.235 1.00 87.25 ? 203 GLN G CA 1 ATOM 686 C C . GLN A 1 87 ? -23.854 30.961 6.597 1.00 88.77 ? 203 GLN G C 1 ATOM 687 O O . GLN A 1 87 ? -22.662 30.939 6.902 1.00 88.57 ? 203 GLN G O 1 ATOM 688 C CB . GLN A 1 87 ? -24.985 30.337 4.467 1.00 90.16 ? 203 GLN G CB 1 ATOM 689 C CG . GLN A 1 87 ? -25.318 30.650 3.021 1.00 95.15 ? 203 GLN G CG 1 ATOM 690 C CD . GLN A 1 87 ? -25.848 29.439 2.281 1.00 103.32 ? 203 GLN G CD 1 ATOM 691 O OE1 . GLN A 1 87 ? -26.181 28.423 2.892 1.00 107.83 ? 203 GLN G OE1 1 ATOM 692 N NE2 . GLN A 1 87 ? -25.924 29.536 0.958 1.00 106.84 ? 203 GLN G NE2 1 ATOM 693 N N . ALA A 1 88 ? -24.819 30.546 7.411 1.00 92.94 ? 204 ALA G N 1 ATOM 694 C CA . ALA A 1 88 ? -24.518 29.850 8.654 1.00 87.91 ? 204 ALA G CA 1 ATOM 695 C C . ALA A 1 88 ? -24.192 28.394 8.338 1.00 82.49 ? 204 ALA G C 1 ATOM 696 O O . ALA A 1 88 ? -24.851 27.772 7.502 1.00 74.07 ? 204 ALA G O 1 ATOM 697 C CB . ALA A 1 88 ? -25.683 29.947 9.625 1.00 82.20 ? 204 ALA G CB 1 ATOM 698 N N . CYS A 1 89 ? -23.173 27.856 8.998 1.00 84.93 ? 205 CYS G N 1 ATOM 699 C CA . CYS A 1 89 ? -22.716 26.499 8.710 1.00 80.80 ? 205 CYS G CA 1 ATOM 700 C C . CYS A 1 89 ? -22.486 25.674 9.973 1.00 81.24 ? 205 CYS G C 1 ATOM 701 O O . CYS A 1 89 ? -21.347 25.345 10.303 1.00 78.92 ? 205 CYS G O 1 ATOM 702 C CB . CYS A 1 89 ? -21.431 26.547 7.887 1.00 75.64 ? 205 CYS G CB 1 ATOM 703 S SG . CYS A 1 89 ? -20.191 27.684 8.550 1.00 109.69 ? 205 CYS G SG 1 ATOM 704 N N . PRO A 1 90 ? -23.571 25.326 10.680 1.00 79.42 ? 206 PRO G N 1 ATOM 705 C CA . PRO A 1 90 ? -23.431 24.537 11.906 1.00 78.58 ? 206 PRO G CA 1 ATOM 706 C C . PRO A 1 90 ? -23.044 23.092 11.607 1.00 71.86 ? 206 PRO G C 1 ATOM 707 O O . PRO A 1 90 ? -23.340 22.590 10.522 1.00 64.81 ? 206 PRO G O 1 ATOM 708 C CB . PRO A 1 90 ? -24.825 24.613 12.527 1.00 81.26 ? 206 PRO G CB 1 ATOM 709 C CG . PRO A 1 90 ? -25.733 24.742 11.352 1.00 79.40 ? 206 PRO G CG 1 ATOM 710 C CD . PRO A 1 90 ? -24.985 25.577 10.345 1.00 75.36 ? 206 PRO G CD 1 ATOM 711 N N . LYS A 1 91 ? -22.382 22.438 12.556 1.00 74.94 ? 207 LYS G N 1 ATOM 712 C CA . LYS A 1 91 ? -22.063 21.024 12.420 1.00 75.59 ? 207 LYS G CA 1 ATOM 713 C C . LYS A 1 91 ? -23.342 20.196 12.458 1.00 66.85 ? 207 LYS G C 1 ATOM 714 O O . LYS A 1 91 ? -24.277 20.515 13.193 1.00 64.48 ? 207 LYS G O 1 ATOM 715 C CB . LYS A 1 91 ? -21.097 20.577 13.518 1.00 76.86 ? 207 LYS G CB 1 ATOM 716 C CG . LYS A 1 91 ? -19.670 21.043 13.300 1.00 69.62 ? 207 LYS G CG 1 ATOM 717 C CD . LYS A 1 91 ? -19.130 20.521 11.978 1.00 60.57 ? 207 LYS G CD 1 ATOM 718 C CE . LYS A 1 91 ? -17.694 20.953 11.761 1.00 59.42 ? 207 LYS G CE 1 ATOM 719 N NZ . LYS A 1 91 ? -17.149 20.451 10.469 1.00 55.19 ? 207 LYS G NZ 1 ATOM 720 N N . ILE A 1 92 ? -23.381 19.133 11.663 1.00 57.85 ? 208 ILE G N 1 ATOM 721 C CA . ILE A 1 92 ? -24.600 18.352 11.507 1.00 59.40 ? 208 ILE G CA 1 ATOM 722 C C . ILE A 1 92 ? -24.407 16.882 11.864 1.00 57.33 ? 208 ILE G C 1 ATOM 723 O O . ILE A 1 92 ? -23.281 16.405 12.015 1.00 52.28 ? 208 ILE G O 1 ATOM 724 C CB . ILE A 1 92 ? -25.133 18.435 10.060 1.00 63.10 ? 208 ILE G CB 1 ATOM 725 C CG1 . ILE A 1 92 ? -24.139 17.793 9.093 1.00 63.04 ? 208 ILE G CG1 1 ATOM 726 C CG2 . ILE A 1 92 ? -25.401 19.880 9.667 1.00 69.12 ? 208 ILE G CG2 1 ATOM 727 C CD1 . ILE A 1 92 ? -24.611 17.768 7.658 1.00 64.24 ? 208 ILE G CD1 1 ATOM 728 N N . SER A 1 93 ? -25.523 16.175 12.008 1.00 56.51 ? 209 SER G N 1 ATOM 729 C CA . SER A 1 93 ? -25.513 14.725 12.140 1.00 57.94 ? 209 SER G CA 1 ATOM 730 C C . SER A 1 93 ? -25.703 14.113 10.754 1.00 52.28 ? 209 SER G C 1 ATOM 731 O O . SER A 1 93 ? -26.718 14.353 10.101 1.00 52.01 ? 209 SER G O 1 ATOM 732 C CB . SER A 1 93 ? -26.608 14.257 13.101 1.00 52.25 ? 209 SER G CB 1 ATOM 733 O OG . SER A 1 93 ? -26.710 12.843 13.104 1.00 58.46 ? 209 SER G OG 1 ATOM 734 N N . PHE A 1 94 ? -24.722 13.330 10.310 1.00 50.21 ? 210 PHE G N 1 ATOM 735 C CA . PHE A 1 94 ? -24.674 12.857 8.926 1.00 48.29 ? 210 PHE G CA 1 ATOM 736 C C . PHE A 1 94 ? -24.368 11.362 8.845 1.00 49.24 ? 210 PHE G C 1 ATOM 737 O O . PHE A 1 94 ? -23.284 10.921 9.229 1.00 53.93 ? 210 PHE G O 1 ATOM 738 C CB . PHE A 1 94 ? -23.624 13.658 8.144 1.00 42.76 ? 210 PHE G CB 1 ATOM 739 C CG . PHE A 1 94 ? -23.545 13.321 6.675 1.00 51.88 ? 210 PHE G CG 1 ATOM 740 C CD1 . PHE A 1 94 ? -22.787 12.244 6.229 1.00 50.56 ? 210 PHE G CD1 1 ATOM 741 C CD2 . PHE A 1 94 ? -24.193 14.108 5.734 1.00 48.55 ? 210 PHE G CD2 1 ATOM 742 C CE1 . PHE A 1 94 ? -22.703 11.944 4.878 1.00 55.53 ? 210 PHE G CE1 1 ATOM 743 C CE2 . PHE A 1 94 ? -24.108 13.813 4.381 1.00 51.76 ? 210 PHE G CE2 1 ATOM 744 C CZ . PHE A 1 94 ? -23.364 12.730 3.953 1.00 46.34 ? 210 PHE G CZ 1 ATOM 745 N N . ASP A 1 95 ? -25.324 10.593 8.330 1.00 50.12 ? 211 ASP G N 1 ATOM 746 C CA . ASP A 1 95 ? -25.151 9.156 8.130 1.00 52.75 ? 211 ASP G CA 1 ATOM 747 C C . ASP A 1 95 ? -26.236 8.633 7.191 1.00 48.18 ? 211 ASP G C 1 ATOM 748 O O . ASP A 1 95 ? -27.404 8.552 7.573 1.00 43.71 ? 211 ASP G O 1 ATOM 749 C CB . ASP A 1 95 ? -25.190 8.408 9.470 1.00 51.10 ? 211 ASP G CB 1 ATOM 750 C CG . ASP A 1 95 ? -24.783 6.950 9.338 1.00 58.26 ? 211 ASP G CG 1 ATOM 751 O OD1 . ASP A 1 95 ? -24.037 6.620 8.391 1.00 60.90 ? 211 ASP G OD1 1 ATOM 752 O OD2 . ASP A 1 95 ? -25.204 6.133 10.183 1.00 58.56 ? 211 ASP G OD2 1 ATOM 753 N N . PRO A 1 96 ? -25.852 8.283 5.953 1.00 43.32 ? 212 PRO G N 1 ATOM 754 C CA . PRO A 1 96 ? -26.799 7.868 4.911 1.00 39.14 ? 212 PRO G CA 1 ATOM 755 C C . PRO A 1 96 ? -27.692 6.698 5.324 1.00 45.13 ? 212 PRO G C 1 ATOM 756 O O . PRO A 1 96 ? -27.212 5.728 5.915 1.00 46.44 ? 212 PRO G O 1 ATOM 757 C CB . PRO A 1 96 ? -25.885 7.460 3.748 1.00 41.23 ? 212 PRO G CB 1 ATOM 758 C CG . PRO A 1 96 ? -24.627 8.229 3.972 1.00 44.79 ? 212 PRO G CG 1 ATOM 759 C CD . PRO A 1 96 ? -24.462 8.281 5.466 1.00 39.89 ? 212 PRO G CD 1 ATOM 760 N N . ILE A 1 97 ? -28.983 6.807 5.021 1.00 42.30 ? 213 ILE G N 1 ATOM 761 C CA . ILE A 1 97 ? -29.929 5.720 5.251 1.00 50.69 ? 213 ILE G CA 1 ATOM 762 C C . ILE A 1 97 ? -30.420 5.175 3.908 1.00 44.37 ? 213 ILE G C 1 ATOM 763 O O . ILE A 1 97 ? -30.346 5.870 2.896 1.00 44.18 ? 213 ILE G O 1 ATOM 764 C CB . ILE A 1 97 ? -31.132 6.180 6.103 1.00 51.58 ? 213 ILE G CB 1 ATOM 765 C CG1 . ILE A 1 97 ? -31.926 7.262 5.369 1.00 53.02 ? 213 ILE G CG1 1 ATOM 766 C CG2 . ILE A 1 97 ? -30.667 6.664 7.468 1.00 49.65 ? 213 ILE G CG2 1 ATOM 767 C CD1 . ILE A 1 97 ? -33.198 7.661 6.077 1.00 58.16 ? 213 ILE G CD1 1 ATOM 768 N N . PRO A 1 98 ? -30.909 3.923 3.889 1.00 49.52 ? 214 PRO G N 1 ATOM 769 C CA . PRO A 1 98 ? -31.390 3.336 2.631 1.00 48.03 ? 214 PRO G CA 1 ATOM 770 C C . PRO A 1 98 ? -32.626 4.042 2.069 1.00 48.51 ? 214 PRO G C 1 ATOM 771 O O . PRO A 1 98 ? -33.575 4.311 2.806 1.00 52.45 ? 214 PRO G O 1 ATOM 772 C CB . PRO A 1 98 ? -31.727 1.892 3.024 1.00 48.94 ? 214 PRO G CB 1 ATOM 773 C CG . PRO A 1 98 ? -30.942 1.635 4.274 1.00 41.40 ? 214 PRO G CG 1 ATOM 774 C CD . PRO A 1 98 ? -30.916 2.944 4.991 1.00 39.41 ? 214 PRO G CD 1 ATOM 775 N N . ILE A 1 99 ? -32.604 4.335 0.773 1.00 51.05 ? 215 ILE G N 1 ATOM 776 C CA . ILE A 1 99 ? -33.741 4.954 0.097 1.00 48.52 ? 215 ILE G CA 1 ATOM 777 C C . ILE A 1 99 ? -34.283 4.041 -1.003 1.00 48.52 ? 215 ILE G C 1 ATOM 778 O O . ILE A 1 99 ? -33.548 3.653 -1.908 1.00 53.02 ? 215 ILE G O 1 ATOM 779 C CB . ILE A 1 99 ? -33.358 6.314 -0.524 1.00 54.75 ? 215 ILE G CB 1 ATOM 780 C CG1 . ILE A 1 99 ? -32.734 7.230 0.529 1.00 47.65 ? 215 ILE G CG1 1 ATOM 781 C CG2 . ILE A 1 99 ? -34.572 6.973 -1.164 1.00 55.98 ? 215 ILE G CG2 1 ATOM 782 C CD1 . ILE A 1 99 ? -33.664 7.558 1.676 1.00 48.83 ? 215 ILE G CD1 1 ATOM 783 N N . HIS A 1 100 ? -35.564 3.696 -0.920 1.00 47.93 ? 216 HIS G N 1 ATOM 784 C CA . HIS A 1 100 ? -36.202 2.877 -1.948 1.00 45.42 ? 216 HIS G CA 1 ATOM 785 C C . HIS A 1 100 ? -36.843 3.761 -3.010 1.00 50.44 ? 216 HIS G C 1 ATOM 786 O O . HIS A 1 100 ? -37.446 4.778 -2.683 1.00 51.63 ? 216 HIS G O 1 ATOM 787 C CB . HIS A 1 100 ? -37.269 1.961 -1.340 1.00 44.21 ? 216 HIS G CB 1 ATOM 788 C CG . HIS A 1 100 ? -36.769 1.084 -0.234 1.00 54.99 ? 216 HIS G CG 1 ATOM 789 N ND1 . HIS A 1 100 ? -36.497 -0.255 -0.412 1.00 52.77 ? 216 HIS G ND1 1 ATOM 790 C CD2 . HIS A 1 100 ? -36.513 1.351 1.068 1.00 56.35 ? 216 HIS G CD2 1 ATOM 791 C CE1 . HIS A 1 100 ? -36.086 -0.774 0.732 1.00 53.36 ? 216 HIS G CE1 1 ATOM 792 N NE2 . HIS A 1 100 ? -36.086 0.179 1.646 1.00 55.66 ? 216 HIS G NE2 1 ATOM 793 N N . TYR A 1 101 ? -36.723 3.380 -4.278 1.00 45.17 ? 217 TYR G N 1 ATOM 794 C CA . TYR A 1 101 ? -37.439 4.098 -5.330 1.00 47.84 ? 217 TYR G CA 1 ATOM 795 C C . TYR A 1 101 ? -38.544 3.233 -5.921 1.00 51.51 ? 217 TYR G C 1 ATOM 796 O O . TYR A 1 101 ? -38.342 2.053 -6.209 1.00 54.45 ? 217 TYR G O 1 ATOM 797 C CB . TYR A 1 101 ? -36.473 4.584 -6.411 1.00 51.68 ? 217 TYR G CB 1 ATOM 798 C CG . TYR A 1 101 ? -35.797 5.871 -6.005 1.00 49.58 ? 217 TYR G CG 1 ATOM 799 C CD1 . TYR A 1 101 ? -36.425 7.095 -6.200 1.00 47.27 ? 217 TYR G CD1 1 ATOM 800 C CD2 . TYR A 1 101 ? -34.553 5.863 -5.390 1.00 48.65 ? 217 TYR G CD2 1 ATOM 801 C CE1 . TYR A 1 101 ? -35.822 8.274 -5.813 1.00 47.71 ? 217 TYR G CE1 1 ATOM 802 C CE2 . TYR A 1 101 ? -33.943 7.039 -4.999 1.00 51.17 ? 217 TYR G CE2 1 ATOM 803 C CZ . TYR A 1 101 ? -34.581 8.240 -5.214 1.00 51.65 ? 217 TYR G CZ 1 ATOM 804 O OH . TYR A 1 101 ? -33.973 9.409 -4.825 1.00 61.77 ? 217 TYR G OH 1 ATOM 805 N N . CYS A 1 102 ? -39.721 3.832 -6.079 1.00 50.68 ? 218 CYS G N 1 ATOM 806 C CA . CYS A 1 102 ? -40.922 3.086 -6.432 1.00 49.79 ? 218 CYS G CA 1 ATOM 807 C C . CYS A 1 102 ? -41.696 3.740 -7.568 1.00 58.26 ? 218 CYS G C 1 ATOM 808 O O . CYS A 1 102 ? -41.553 4.934 -7.824 1.00 62.15 ? 218 CYS G O 1 ATOM 809 C CB . CYS A 1 102 ? -41.834 2.945 -5.212 1.00 48.49 ? 218 CYS G CB 1 ATOM 810 S SG . CYS A 1 102 ? -40.978 2.618 -3.657 1.00 60.50 ? 218 CYS G SG 1 ATOM 811 N N . THR A 1 103 ? -42.529 2.948 -8.235 1.00 59.06 ? 219 THR G N 1 ATOM 812 C CA . THR A 1 103 ? -43.346 3.438 -9.338 1.00 58.76 ? 219 THR G CA 1 ATOM 813 C C . THR A 1 103 ? -44.782 3.702 -8.899 1.00 59.11 ? 219 THR G C 1 ATOM 814 O O . THR A 1 103 ? -45.319 2.981 -8.057 1.00 65.12 ? 219 THR G O 1 ATOM 815 C CB . THR A 1 103 ? -43.356 2.440 -10.513 1.00 59.02 ? 219 THR G CB 1 ATOM 816 O OG1 . THR A 1 103 ? -43.497 1.107 -10.006 1.00 65.60 ? 219 THR G OG1 1 ATOM 817 C CG2 . THR A 1 103 ? -42.065 2.536 -11.306 1.00 53.52 ? 219 THR G CG2 1 ATOM 818 N N . PRO A 1 104 ? -45.407 4.746 -9.466 1.00 55.54 ? 220 PRO G N 1 ATOM 819 C CA . PRO A 1 104 ? -46.822 5.036 -9.216 1.00 57.60 ? 220 PRO G CA 1 ATOM 820 C C . PRO A 1 104 ? -47.736 4.108 -10.010 1.00 59.11 ? 220 PRO G C 1 ATOM 821 O O . PRO A 1 104 ? -47.249 3.190 -10.669 1.00 60.90 ? 220 PRO G O 1 ATOM 822 C CB . PRO A 1 104 ? -46.970 6.485 -9.684 1.00 60.09 ? 220 PRO G CB 1 ATOM 823 C CG . PRO A 1 104 ? -45.938 6.631 -10.746 1.00 60.68 ? 220 PRO G CG 1 ATOM 824 C CD . PRO A 1 104 ? -44.776 5.773 -10.316 1.00 57.49 ? 220 PRO G CD 1 ATOM 825 N N . ALA A 1 105 ? -49.042 4.352 -9.949 1.00 63.35 ? 221 ALA G N 1 ATOM 826 C CA . ALA A 1 105 ? -50.010 3.520 -10.652 1.00 63.44 ? 221 ALA G CA 1 ATOM 827 C C . ALA A 1 105 ? -49.790 3.568 -12.161 1.00 71.91 ? 221 ALA G C 1 ATOM 828 O O . ALA A 1 105 ? -49.458 4.615 -12.717 1.00 66.46 ? 221 ALA G O 1 ATOM 829 C CB . ALA A 1 105 ? -51.425 3.951 -10.309 1.00 67.36 ? 221 ALA G CB 1 ATOM 830 N N . GLY A 1 106 ? -49.973 2.426 -12.815 1.00 76.21 ? 222 GLY G N 1 ATOM 831 C CA . GLY A 1 106 ? -49.788 2.328 -14.250 1.00 78.16 ? 222 GLY G CA 1 ATOM 832 C C . GLY A 1 106 ? -48.379 1.912 -14.622 1.00 79.20 ? 222 GLY G C 1 ATOM 833 O O . GLY A 1 106 ? -48.130 1.467 -15.742 1.00 86.59 ? 222 GLY G O 1 ATOM 834 N N . TYR A 1 107 ? -47.455 2.054 -13.677 1.00 73.64 ? 223 TYR G N 1 ATOM 835 C CA . TYR A 1 107 ? -46.053 1.723 -13.911 1.00 66.97 ? 223 TYR G CA 1 ATOM 836 C C . TYR A 1 107 ? -45.571 0.639 -12.952 1.00 71.28 ? 223 TYR G C 1 ATOM 837 O O . TYR A 1 107 ? -46.062 0.529 -11.828 1.00 72.00 ? 223 TYR G O 1 ATOM 838 C CB . TYR A 1 107 ? -45.174 2.968 -13.768 1.00 69.73 ? 223 TYR G CB 1 ATOM 839 C CG . TYR A 1 107 ? -45.481 4.073 -14.756 1.00 76.90 ? 223 TYR G CG 1 ATOM 840 C CD1 . TYR A 1 107 ? -46.511 4.977 -14.522 1.00 82.61 ? 223 TYR G CD1 1 ATOM 841 C CD2 . TYR A 1 107 ? -44.731 4.222 -15.916 1.00 76.63 ? 223 TYR G CD2 1 ATOM 842 C CE1 . TYR A 1 107 ? -46.791 5.991 -15.420 1.00 85.43 ? 223 TYR G CE1 1 ATOM 843 C CE2 . TYR A 1 107 ? -45.004 5.234 -16.819 1.00 83.23 ? 223 TYR G CE2 1 ATOM 844 C CZ . TYR A 1 107 ? -46.034 6.115 -16.567 1.00 85.46 ? 223 TYR G CZ 1 ATOM 845 O OH . TYR A 1 107 ? -46.309 7.123 -17.463 1.00 89.51 ? 223 TYR G OH 1 ATOM 846 N N . VAL A 1 108 ? -44.613 -0.163 -13.408 1.00 67.79 ? 224 VAL G N 1 ATOM 847 C CA . VAL A 1 108 ? -44.002 -1.204 -12.583 1.00 64.47 ? 224 VAL G CA 1 ATOM 848 C C . VAL A 1 108 ? -42.497 -1.261 -12.868 1.00 60.90 ? 224 VAL G C 1 ATOM 849 O O . VAL A 1 108 ? -42.062 -0.960 -13.978 1.00 58.62 ? 224 VAL G O 1 ATOM 850 C CB . VAL A 1 108 ? -44.645 -2.595 -12.840 1.00 72.20 ? 224 VAL G CB 1 ATOM 851 C CG1 . VAL A 1 108 ? -43.969 -3.669 -12.012 1.00 79.30 ? 224 VAL G CG1 1 ATOM 852 C CG2 . VAL A 1 108 ? -46.131 -2.576 -12.525 1.00 78.78 ? 224 VAL G CG2 1 ATOM 853 N N . ILE A 1 109 ? -41.707 -1.619 -11.860 1.00 58.60 ? 225 ILE G N 1 ATOM 854 C CA . ILE A 1 109 ? -40.275 -1.827 -12.037 1.00 56.29 ? 225 ILE G CA 1 ATOM 855 C C . ILE A 1 109 ? -39.966 -3.279 -12.389 1.00 64.24 ? 225 ILE G C 1 ATOM 856 O O . ILE A 1 109 ? -40.381 -4.195 -11.680 1.00 66.75 ? 225 ILE G O 1 ATOM 857 C CB . ILE A 1 109 ? -39.485 -1.457 -10.768 1.00 52.58 ? 225 ILE G CB 1 ATOM 858 C CG1 . ILE A 1 109 ? -39.701 0.012 -10.406 1.00 62.01 ? 225 ILE G CG1 1 ATOM 859 C CG2 . ILE A 1 109 ? -38.005 -1.747 -10.957 1.00 51.22 ? 225 ILE G CG2 1 ATOM 860 C CD1 . ILE A 1 109 ? -39.066 0.416 -9.085 1.00 58.30 ? 225 ILE G CD1 1 ATOM 861 N N . LEU A 1 110 ? -39.239 -3.489 -13.481 1.00 62.42 ? 226 LEU G N 1 ATOM 862 C CA . LEU A 1 110 ? -38.760 -4.825 -13.815 1.00 65.30 ? 226 LEU G CA 1 ATOM 863 C C . LEU A 1 110 ? -37.369 -5.028 -13.230 1.00 63.02 ? 226 LEU G C 1 ATOM 864 O O . LEU A 1 110 ? -36.545 -4.114 -13.235 1.00 64.95 ? 226 LEU G O 1 ATOM 865 C CB . LEU A 1 110 ? -38.744 -5.046 -15.328 1.00 69.96 ? 226 LEU G CB 1 ATOM 866 C CG . LEU A 1 110 ? -40.099 -4.996 -16.037 1.00 69.28 ? 226 LEU G CG 1 ATOM 867 C CD1 . LEU A 1 110 ? -39.982 -5.534 -17.458 1.00 68.73 ? 226 LEU G CD1 1 ATOM 868 C CD2 . LEU A 1 110 ? -41.151 -5.763 -15.251 1.00 67.78 ? 226 LEU G CD2 1 ATOM 869 N N . LYS A 1 111 ? -37.113 -6.228 -12.722 1.00 61.68 ? 227 LYS G N 1 ATOM 870 C CA . LYS A 1 111 ? -35.858 -6.516 -12.041 1.00 51.40 ? 227 LYS G CA 1 ATOM 871 C C . LYS A 1 111 ? -35.156 -7.734 -12.633 1.00 58.56 ? 227 LYS G C 1 ATOM 872 O O . LYS A 1 111 ? -35.693 -8.842 -12.616 1.00 59.79 ? 227 LYS G O 1 ATOM 873 C CB . LYS A 1 111 ? -36.109 -6.729 -10.546 1.00 50.19 ? 227 LYS G CB 1 ATOM 874 C CG . LYS A 1 111 ? -34.868 -7.079 -9.740 1.00 56.77 ? 227 LYS G CG 1 ATOM 875 C CD . LYS A 1 111 ? -35.220 -7.330 -8.280 1.00 62.04 ? 227 LYS G CD 1 ATOM 876 C CE . LYS A 1 111 ? -33.984 -7.649 -7.456 1.00 63.71 ? 227 LYS G CE 1 ATOM 877 N NZ . LYS A 1 111 ? -34.314 -7.904 -6.024 1.00 63.39 ? 227 LYS G NZ 1 ATOM 878 N N . CYS A 1 112 ? -33.954 -7.523 -13.157 1.00 54.54 ? 228 CYS G N 1 ATOM 879 C CA . CYS A 1 112 ? -33.153 -8.622 -13.677 1.00 57.37 ? 228 CYS G CA 1 ATOM 880 C C . CYS A 1 112 ? -32.496 -9.403 -12.546 1.00 58.14 ? 228 CYS G C 1 ATOM 881 O O . CYS A 1 112 ? -31.854 -8.819 -11.671 1.00 58.78 ? 228 CYS G O 1 ATOM 882 C CB . CYS A 1 112 ? -32.084 -8.106 -14.636 1.00 57.81 ? 228 CYS G CB 1 ATOM 883 S SG . CYS A 1 112 ? -30.900 -9.376 -15.117 1.00 68.32 ? 228 CYS G SG 1 ATOM 884 N N . ASN A 1 113 ? -32.643 -10.725 -12.570 1.00 56.81 ? 229 ASN G N 1 ATOM 885 C CA . ASN A 1 113 ? -32.109 -11.556 -11.499 1.00 60.59 ? 229 ASN G CA 1 ATOM 886 C C . ASN A 1 113 ? -31.003 -12.506 -11.946 1.00 61.61 ? 229 ASN G C 1 ATOM 887 O O . ASN A 1 113 ? -30.570 -13.357 -11.170 1.00 55.58 ? 229 ASN G O 1 ATOM 888 C CB . ASN A 1 113 ? -33.234 -12.358 -10.845 1.00 64.56 ? 229 ASN G CB 1 ATOM 889 C CG . ASN A 1 113 ? -34.327 -11.474 -10.280 1.00 63.88 ? 229 ASN G CG 1 ATOM 890 O OD1 . ASN A 1 113 ? -34.111 -10.737 -9.315 1.00 54.53 ? 229 ASN G OD1 1 ATOM 891 N ND2 . ASN A 1 113 ? -35.511 -11.544 -10.877 1.00 67.18 ? 229 ASN G ND2 1 ATOM 892 N N . ASP A 1 114 ? -30.551 -12.367 -13.189 1.00 55.49 ? 230 ASP G N 1 ATOM 893 C CA . ASP A 1 114 ? -29.425 -13.163 -13.674 1.00 54.80 ? 230 ASP G CA 1 ATOM 894 C C . ASP A 1 114 ? -28.190 -12.876 -12.826 1.00 55.29 ? 230 ASP G C 1 ATOM 895 O O . ASP A 1 114 ? -27.794 -11.724 -12.662 1.00 48.33 ? 230 ASP G O 1 ATOM 896 C CB . ASP A 1 114 ? -29.143 -12.873 -15.149 1.00 52.89 ? 230 ASP G CB 1 ATOM 897 C CG . ASP A 1 114 ? -30.160 -13.513 -16.073 1.00 60.91 ? 230 ASP G CG 1 ATOM 898 O OD1 . ASP A 1 114 ? -31.213 -13.966 -15.575 1.00 59.89 ? 230 ASP G OD1 1 ATOM 899 O OD2 . ASP A 1 114 ? -29.911 -13.559 -17.298 1.00 68.82 ? 230 ASP G OD2 1 ATOM 900 N N . LYS A 1 115 ? -27.588 -13.932 -12.289 1.00 58.22 ? 231 LYS G N 1 ATOM 901 C CA . LYS A 1 115 ? -26.514 -13.793 -11.310 1.00 67.80 ? 231 LYS G CA 1 ATOM 902 C C . LYS A 1 115 ? -25.241 -13.158 -11.869 1.00 63.99 ? 231 LYS G C 1 ATOM 903 O O . LYS A 1 115 ? -24.484 -12.527 -11.131 1.00 65.69 ? 231 LYS G O 1 ATOM 904 C CB . LYS A 1 115 ? -26.185 -15.160 -10.706 1.00 79.91 ? 231 LYS G CB 1 ATOM 905 C CG . LYS A 1 115 ? -27.322 -15.757 -9.889 1.00 90.89 ? 231 LYS G CG 1 ATOM 906 C CD . LYS A 1 115 ? -27.842 -14.756 -8.865 1.00 90.74 ? 231 LYS G CD 1 ATOM 907 C CE . LYS A 1 115 ? -28.950 -15.350 -8.007 1.00 93.32 ? 231 LYS G CE 1 ATOM 908 N NZ . LYS A 1 115 ? -28.456 -16.459 -7.147 1.00 94.78 ? 231 LYS G NZ 1 ATOM 909 N N . ASN A 1 116 ? -25.007 -13.322 -13.167 1.00 60.64 ? 232 ASN G N 1 ATOM 910 C CA . ASN A 1 116 ? -23.802 -12.791 -13.794 1.00 65.89 ? 232 ASN G CA 1 ATOM 911 C C . ASN A 1 116 ? -24.095 -11.624 -14.734 1.00 63.69 ? 232 ASN G C 1 ATOM 912 O O . ASN A 1 116 ? -23.275 -11.287 -15.590 1.00 56.30 ? 232 ASN G O 1 ATOM 913 C CB . ASN A 1 116 ? -23.074 -13.897 -14.558 1.00 75.22 ? 232 ASN G CB 1 ATOM 914 C CG . ASN A 1 116 ? -23.949 -14.547 -15.612 1.00 90.04 ? 232 ASN G CG 1 ATOM 915 O OD1 . ASN A 1 116 ? -25.167 -14.637 -15.453 1.00 91.47 ? 232 ASN G OD1 1 ATOM 916 N ND2 . ASN A 1 116 ? -23.332 -15.002 -16.698 1.00 95.57 ? 232 ASN G ND2 1 ATOM 917 N N . PHE A 1 117 ? -25.264 -11.013 -14.567 1.00 60.20 ? 233 PHE G N 1 ATOM 918 C CA . PHE A 1 117 ? -25.694 -9.915 -15.429 1.00 57.89 ? 233 PHE G CA 1 ATOM 919 C C . PHE A 1 117 ? -24.722 -8.744 -15.360 1.00 49.85 ? 233 PHE G C 1 ATOM 920 O O . PHE A 1 117 ? -24.394 -8.264 -14.275 1.00 50.73 ? 233 PHE G O 1 ATOM 921 C CB . PHE A 1 117 ? -27.100 -9.457 -15.044 1.00 56.86 ? 233 PHE G CB 1 ATOM 922 C CG . PHE A 1 117 ? -27.646 -8.378 -15.929 1.00 51.79 ? 233 PHE G CG 1 ATOM 923 C CD1 . PHE A 1 117 ? -27.768 -8.583 -17.293 1.00 60.32 ? 233 PHE G CD1 1 ATOM 924 C CD2 . PHE A 1 117 ? -28.049 -7.166 -15.398 1.00 55.06 ? 233 PHE G CD2 1 ATOM 925 C CE1 . PHE A 1 117 ? -28.272 -7.594 -18.114 1.00 58.20 ? 233 PHE G CE1 1 ATOM 926 C CE2 . PHE A 1 117 ? -28.557 -6.174 -16.214 1.00 58.50 ? 233 PHE G CE2 1 ATOM 927 C CZ . PHE A 1 117 ? -28.668 -6.389 -17.574 1.00 46.06 ? 233 PHE G CZ 1 ATOM 928 N N . ASN A 1 118 ? -24.261 -8.279 -16.517 1.00 55.43 ? 234 ASN G N 1 ATOM 929 C CA . ASN A 1 118 ? -23.203 -7.277 -16.529 1.00 43.48 ? 234 ASN G CA 1 ATOM 930 C C . ASN A 1 118 ? -23.710 -5.839 -16.649 1.00 44.93 ? 234 ASN G C 1 ATOM 931 O O . ASN A 1 118 ? -22.922 -4.892 -16.620 1.00 45.78 ? 234 ASN G O 1 ATOM 932 C CB . ASN A 1 118 ? -22.193 -7.594 -17.645 1.00 55.56 ? 234 ASN G CB 1 ATOM 933 C CG . ASN A 1 118 ? -22.723 -7.318 -19.051 1.00 53.89 ? 234 ASN G CG 1 ATOM 934 O OD1 . ASN A 1 118 ? -23.698 -6.596 -19.254 1.00 47.99 ? 234 ASN G OD1 1 ATOM 935 N ND2 . ASN A 1 118 ? -22.060 -7.901 -20.036 1.00 66.39 ? 234 ASN G ND2 1 ATOM 936 N N . GLY A 1 119 ? -25.021 -5.676 -16.789 1.00 40.88 ? 235 GLY G N 1 ATOM 937 C CA . GLY A 1 119 ? -25.597 -4.347 -16.874 1.00 50.66 ? 235 GLY G CA 1 ATOM 938 C C . GLY A 1 119 ? -26.325 -4.031 -18.170 1.00 49.91 ? 235 GLY G C 1 ATOM 939 O O . GLY A 1 119 ? -27.261 -3.233 -18.173 1.00 49.47 ? 235 GLY G O 1 ATOM 940 N N . THR A 1 120 ? -25.895 -4.638 -19.274 1.00 41.91 ? 236 THR G N 1 ATOM 941 C CA . THR A 1 120 ? -26.557 -4.419 -20.560 1.00 48.36 ? 236 THR G CA 1 ATOM 942 C C . THR A 1 120 ? -26.885 -5.739 -21.244 1.00 55.42 ? 236 THR G C 1 ATOM 943 O O . THR A 1 120 ? -26.255 -6.761 -20.975 1.00 60.98 ? 236 THR G O 1 ATOM 944 C CB . THR A 1 120 ? -25.696 -3.569 -21.525 1.00 50.74 ? 236 THR G CB 1 ATOM 945 O OG1 . THR A 1 120 ? -24.643 -4.372 -22.074 1.00 55.24 ? 236 THR G OG1 1 ATOM 946 C CG2 . THR A 1 120 ? -25.102 -2.362 -20.811 1.00 48.10 ? 236 THR G CG2 1 ATOM 947 N N . GLY A 1 121 ? -27.871 -5.710 -22.133 1.00 57.97 ? 237 GLY G N 1 ATOM 948 C CA . GLY A 1 121 ? -28.247 -6.892 -22.886 1.00 58.13 ? 237 GLY G CA 1 ATOM 949 C C . GLY A 1 121 ? -29.464 -7.594 -22.316 1.00 54.30 ? 237 GLY G C 1 ATOM 950 O O . GLY A 1 121 ? -30.181 -7.030 -21.490 1.00 53.59 ? 237 GLY G O 1 ATOM 951 N N . PRO A 1 122 ? -29.706 -8.835 -22.760 1.00 51.82 ? 238 PRO G N 1 ATOM 952 C CA . PRO A 1 122 ? -30.869 -9.620 -22.336 1.00 52.27 ? 238 PRO G CA 1 ATOM 953 C C . PRO A 1 122 ? -30.712 -10.239 -20.950 1.00 64.52 ? 238 PRO G C 1 ATOM 954 O O . PRO A 1 122 ? -29.603 -10.585 -20.539 1.00 58.62 ? 238 PRO G O 1 ATOM 955 C CB . PRO A 1 122 ? -30.956 -10.711 -23.406 1.00 56.60 ? 238 PRO G CB 1 ATOM 956 C CG . PRO A 1 122 ? -29.547 -10.898 -23.849 1.00 60.42 ? 238 PRO G CG 1 ATOM 957 C CD . PRO A 1 122 ? -28.908 -9.535 -23.784 1.00 53.73 ? 238 PRO G CD 1 ATOM 958 N N . CYS A 1 123 ? -31.830 -10.368 -20.243 1.00 66.39 ? 239 CYS G N 1 ATOM 959 C CA . CYS A 1 123 ? -31.865 -11.020 -18.941 1.00 61.75 ? 239 CYS G CA 1 ATOM 960 C C . CYS A 1 123 ? -32.948 -12.094 -18.950 1.00 61.19 ? 239 CYS G C 1 ATOM 961 O O . CYS A 1 123 ? -34.096 -11.823 -19.299 1.00 62.12 ? 239 CYS G O 1 ATOM 962 C CB . CYS A 1 123 ? -32.122 -10.002 -17.831 1.00 58.94 ? 239 CYS G CB 1 ATOM 963 S SG . CYS A 1 123 ? -32.065 -10.683 -16.157 1.00 79.78 ? 239 CYS G SG 1 ATOM 964 N N . LYS A 1 124 ? -32.577 -13.313 -18.572 1.00 61.93 ? 240 LYS G N 1 ATOM 965 C CA . LYS A 1 124 ? -33.483 -14.454 -18.668 1.00 63.08 ? 240 LYS G CA 1 ATOM 966 C C . LYS A 1 124 ? -34.481 -14.516 -17.511 1.00 70.09 ? 240 LYS G C 1 ATOM 967 O O . LYS A 1 124 ? -35.663 -14.796 -17.711 1.00 72.82 ? 240 LYS G O 1 ATOM 968 C CB . LYS A 1 124 ? -32.679 -15.756 -18.732 1.00 63.64 ? 240 LYS G CB 1 ATOM 969 C CG . LYS A 1 124 ? -33.529 -17.012 -18.802 1.00 72.96 ? 240 LYS G CG 1 ATOM 970 C CD . LYS A 1 124 ? -34.411 -17.011 -20.039 1.00 83.98 ? 240 LYS G CD 1 ATOM 971 C CE . LYS A 1 124 ? -35.261 -18.269 -20.111 1.00 91.77 ? 240 LYS G CE 1 ATOM 972 N NZ . LYS A 1 124 ? -36.077 -18.312 -21.357 1.00 94.40 ? 240 LYS G NZ 1 ATOM 973 N N . ASN A 1 125 ? -33.999 -14.250 -16.303 1.00 66.31 ? 241 ASN G N 1 ATOM 974 C CA . ASN A 1 125 ? -34.813 -14.384 -15.102 1.00 67.15 ? 241 ASN G CA 1 ATOM 975 C C . ASN A 1 125 ? -35.252 -13.024 -14.565 1.00 64.82 ? 241 ASN G C 1 ATOM 976 O O . ASN A 1 125 ? -34.526 -12.377 -13.809 1.00 52.01 ? 241 ASN G O 1 ATOM 977 C CB . ASN A 1 125 ? -34.031 -15.159 -14.043 1.00 78.02 ? 241 ASN G CB 1 ATOM 978 C CG . ASN A 1 125 ? -34.853 -15.478 -12.811 1.00 100.41 ? 241 ASN G CG 1 ATOM 979 O OD1 . ASN A 1 125 ? -36.084 -15.490 -12.836 1.00 98.07 ? 241 ASN G OD1 1 ATOM 980 N ND2 . ASN A 1 125 ? -34.153 -15.745 -11.717 1.00 129.67 ? 241 ASN G ND2 1 ATOM 981 N N . VAL A 1 126 ? -36.444 -12.597 -14.967 1.00 63.28 ? 242 VAL G N 1 ATOM 982 C CA . VAL A 1 126 ? -36.945 -11.273 -14.620 1.00 58.45 ? 242 VAL G CA 1 ATOM 983 C C . VAL A 1 126 ? -38.092 -11.359 -13.618 1.00 64.03 ? 242 VAL G C 1 ATOM 984 O O . VAL A 1 126 ? -38.963 -12.221 -13.734 1.00 70.46 ? 242 VAL G O 1 ATOM 985 C CB . VAL A 1 126 ? -37.424 -10.511 -15.877 1.00 65.89 ? 242 VAL G CB 1 ATOM 986 C CG1 . VAL A 1 126 ? -37.782 -9.071 -15.535 1.00 66.28 ? 242 VAL G CG1 1 ATOM 987 C CG2 . VAL A 1 126 ? -36.356 -10.552 -16.959 1.00 68.35 ? 242 VAL G CG2 1 ATOM 988 N N . SER A 1 127 ? -38.082 -10.469 -12.631 1.00 63.10 ? 243 SER G N 1 ATOM 989 C CA . SER A 1 127 ? -39.180 -10.380 -11.675 1.00 65.78 ? 243 SER G CA 1 ATOM 990 C C . SER A 1 127 ? -39.830 -9.000 -11.726 1.00 68.35 ? 243 SER G C 1 ATOM 991 O O . SER A 1 127 ? -39.280 -8.061 -12.303 1.00 69.24 ? 243 SER G O 1 ATOM 992 C CB . SER A 1 127 ? -38.693 -10.685 -10.257 1.00 64.09 ? 243 SER G CB 1 ATOM 993 O OG . SER A 1 127 ? -37.738 -9.731 -9.827 1.00 65.55 ? 243 SER G OG 1 ATOM 994 N N . SER A 1 128 ? -41.006 -8.889 -11.119 1.00 70.36 ? 244 SER G N 1 ATOM 995 C CA . SER A 1 128 ? -41.763 -7.644 -11.124 1.00 69.62 ? 244 SER G CA 1 ATOM 996 C C . SER A 1 128 ? -41.938 -7.093 -9.711 1.00 66.48 ? 244 SER G C 1 ATOM 997 O O . SER A 1 128 ? -42.544 -7.740 -8.856 1.00 67.67 ? 244 SER G O 1 ATOM 998 C CB . SER A 1 128 ? -43.128 -7.865 -11.778 1.00 77.76 ? 244 SER G CB 1 ATOM 999 O OG . SER A 1 128 ? -43.984 -6.760 -11.564 1.00 85.23 ? 244 SER G OG 1 ATOM 1000 N N . VAL A 1 129 ? -41.404 -5.898 -9.470 1.00 55.12 ? 245 VAL G N 1 ATOM 1001 C CA . VAL A 1 129 ? -41.498 -5.263 -8.157 1.00 61.18 ? 245 VAL G CA 1 ATOM 1002 C C . VAL A 1 129 ? -42.047 -3.844 -8.243 1.00 58.14 ? 245 VAL G C 1 ATOM 1003 O O . VAL A 1 129 ? -42.039 -3.227 -9.309 1.00 61.11 ? 245 VAL G O 1 ATOM 1004 C CB . VAL A 1 129 ? -40.128 -5.210 -7.450 1.00 57.37 ? 245 VAL G CB 1 ATOM 1005 C CG1 . VAL A 1 129 ? -39.675 -6.605 -7.051 1.00 54.47 ? 245 VAL G CG1 1 ATOM 1006 C CG2 . VAL A 1 129 ? -39.099 -4.531 -8.343 1.00 56.23 ? 245 VAL G CG2 1 ATOM 1007 N N . GLN A 1 130 ? -42.521 -3.331 -7.112 1.00 54.30 ? 246 GLN G N 1 ATOM 1008 C CA . GLN A 1 130 ? -42.991 -1.954 -7.037 1.00 62.15 ? 246 GLN G CA 1 ATOM 1009 C C . GLN A 1 130 ? -41.850 -1.025 -6.642 1.00 60.29 ? 246 GLN G C 1 ATOM 1010 O O . GLN A 1 130 ? -41.751 0.096 -7.136 1.00 62.67 ? 246 GLN G O 1 ATOM 1011 C CB . GLN A 1 130 ? -44.145 -1.822 -6.040 1.00 72.84 ? 246 GLN G CB 1 ATOM 1012 C CG . GLN A 1 130 ? -44.727 -0.415 -5.962 1.00 82.67 ? 246 GLN G CG 1 ATOM 1013 C CD . GLN A 1 130 ? -45.598 -0.201 -4.738 1.00 88.28 ? 246 GLN G CD 1 ATOM 1014 O OE1 . GLN A 1 130 ? -45.598 -1.010 -3.809 1.00 91.42 ? 246 GLN G OE1 1 ATOM 1015 N NE2 . GLN A 1 130 ? -46.346 0.897 -4.730 1.00 88.74 ? 246 GLN G NE2 1 ATOM 1016 N N . CYS A 1 131 ? -40.985 -1.501 -5.752 1.00 53.58 ? 247 CYS G N 1 ATOM 1017 C CA . CYS A 1 131 ? -39.875 -0.693 -5.258 1.00 52.78 ? 247 CYS G CA 1 ATOM 1018 C C . CYS A 1 131 ? -38.533 -1.394 -5.428 1.00 46.96 ? 247 CYS G C 1 ATOM 1019 O O . CYS A 1 131 ? -38.458 -2.622 -5.427 1.00 50.84 ? 247 CYS G O 1 ATOM 1020 C CB . CYS A 1 131 ? -40.081 -0.346 -3.780 1.00 48.70 ? 247 CYS G CB 1 ATOM 1021 S SG . CYS A 1 131 ? -41.530 0.672 -3.430 1.00 64.54 ? 247 CYS G SG 1 ATOM 1022 N N . THR A 1 132 ? -37.474 -0.604 -5.567 1.00 45.01 ? 248 THR G N 1 ATOM 1023 C CA . THR A 1 132 ? -36.118 -1.138 -5.547 1.00 50.03 ? 248 THR G CA 1 ATOM 1024 C C . THR A 1 132 ? -35.751 -1.524 -4.117 1.00 54.75 ? 248 THR G C 1 ATOM 1025 O O . THR A 1 132 ? -36.513 -1.267 -3.185 1.00 48.14 ? 248 THR G O 1 ATOM 1026 C CB . THR A 1 132 ? -35.091 -0.120 -6.073 1.00 48.71 ? 248 THR G CB 1 ATOM 1027 O OG1 . THR A 1 132 ? -34.990 0.974 -5.153 1.00 47.35 ? 248 THR G OG1 1 ATOM 1028 C CG2 . THR A 1 132 ? -35.502 0.410 -7.447 1.00 38.04 ? 248 THR G CG2 1 ATOM 1029 N N . HIS A 1 133 ? -34.585 -2.135 -3.940 1.00 47.91 ? 249 HIS G N 1 ATOM 1030 C CA . HIS A 1 133 ? -34.061 -2.365 -2.601 1.00 45.78 ? 249 HIS G CA 1 ATOM 1031 C C . HIS A 1 133 ? -33.616 -1.032 -2.001 1.00 55.31 ? 249 HIS G C 1 ATOM 1032 O O . HIS A 1 133 ? -33.590 -0.007 -2.692 1.00 46.89 ? 249 HIS G O 1 ATOM 1033 C CB . HIS A 1 133 ? -32.897 -3.355 -2.630 1.00 43.30 ? 249 HIS G CB 1 ATOM 1034 C CG . HIS A 1 133 ? -31.694 -2.850 -3.365 1.00 50.13 ? 249 HIS G CG 1 ATOM 1035 N ND1 . HIS A 1 133 ? -31.630 -2.793 -4.740 1.00 51.50 ? 249 HIS G ND1 1 ATOM 1036 C CD2 . HIS A 1 133 ? -30.505 -2.382 -2.913 1.00 47.82 ? 249 HIS G CD2 1 ATOM 1037 C CE1 . HIS A 1 133 ? -30.455 -2.311 -5.106 1.00 46.55 ? 249 HIS G CE1 1 ATOM 1038 N NE2 . HIS A 1 133 ? -29.754 -2.053 -4.016 1.00 47.61 ? 249 HIS G NE2 1 ATOM 1039 N N . GLY A 1 134 ? -33.267 -1.048 -0.719 1.00 52.37 ? 250 GLY G N 1 ATOM 1040 C CA . GLY A 1 134 ? -32.831 0.155 -0.031 1.00 40.35 ? 250 GLY G CA 1 ATOM 1041 C C . GLY A 1 134 ? -31.441 0.592 -0.452 1.00 42.12 ? 250 GLY G C 1 ATOM 1042 O O . GLY A 1 134 ? -30.454 -0.081 -0.163 1.00 50.53 ? 250 GLY G O 1 ATOM 1043 N N . ILE A 1 135 ? -31.366 1.729 -1.135 1.00 44.50 ? 251 ILE G N 1 ATOM 1044 C CA . ILE A 1 135 ? -30.096 2.242 -1.636 1.00 44.18 ? 251 ILE G CA 1 ATOM 1045 C C . ILE A 1 135 ? -29.601 3.420 -0.805 1.00 47.59 ? 251 ILE G C 1 ATOM 1046 O O . ILE A 1 135 ? -30.288 4.433 -0.677 1.00 47.05 ? 251 ILE G O 1 ATOM 1047 C CB . ILE A 1 135 ? -30.215 2.678 -3.111 1.00 47.50 ? 251 ILE G CB 1 ATOM 1048 C CG1 . ILE A 1 135 ? -30.621 1.488 -3.982 1.00 43.60 ? 251 ILE G CG1 1 ATOM 1049 C CG2 . ILE A 1 135 ? -28.907 3.279 -3.607 1.00 36.87 ? 251 ILE G CG2 1 ATOM 1050 C CD1 . ILE A 1 135 ? -30.811 1.837 -5.436 1.00 38.75 ? 251 ILE G CD1 1 ATOM 1051 N N . LYS A 1 136 ? -28.412 3.280 -0.230 1.00 48.81 ? 252 LYS G N 1 ATOM 1052 C CA . LYS A 1 136 ? -27.799 4.380 0.504 1.00 41.75 ? 252 LYS G CA 1 ATOM 1053 C C . LYS A 1 136 ? -27.110 5.331 -0.467 1.00 39.62 ? 252 LYS G C 1 ATOM 1054 O O . LYS A 1 136 ? -26.255 4.913 -1.248 1.00 38.29 ? 252 LYS G O 1 ATOM 1055 C CB . LYS A 1 136 ? -26.804 3.860 1.542 1.00 40.63 ? 252 LYS G CB 1 ATOM 1056 C CG . LYS A 1 136 ? -27.452 3.131 2.711 1.00 51.28 ? 252 LYS G CG 1 ATOM 1057 C CD . LYS A 1 136 ? -26.492 2.988 3.886 1.00 68.70 ? 252 LYS G CD 1 ATOM 1058 C CE . LYS A 1 136 ? -25.400 1.968 3.608 1.00 83.94 ? 252 LYS G CE 1 ATOM 1059 N NZ . LYS A 1 136 ? -25.890 0.567 3.745 1.00 94.20 ? 252 LYS G NZ 1 ATOM 1060 N N . PRO A 1 137 ? -27.486 6.618 -0.423 1.00 39.15 ? 253 PRO G N 1 ATOM 1061 C CA . PRO A 1 137 ? -26.949 7.641 -1.330 1.00 34.40 ? 253 PRO G CA 1 ATOM 1062 C C . PRO A 1 137 ? -25.521 8.057 -0.985 1.00 40.26 ? 253 PRO G C 1 ATOM 1063 O O . PRO A 1 137 ? -25.265 9.235 -0.733 1.00 46.11 ? 253 PRO G O 1 ATOM 1064 C CB . PRO A 1 137 ? -27.914 8.814 -1.142 1.00 37.06 ? 253 PRO G CB 1 ATOM 1065 C CG . PRO A 1 137 ? -28.435 8.646 0.248 1.00 35.53 ? 253 PRO G CG 1 ATOM 1066 C CD . PRO A 1 137 ? -28.527 7.161 0.471 1.00 36.05 ? 253 PRO G CD 1 ATOM 1067 N N . VAL A 1 138 ? -24.602 7.098 -0.991 1.00 33.17 ? 254 VAL G N 1 ATOM 1068 C CA . VAL A 1 138 ? -23.224 7.351 -0.590 1.00 39.31 ? 254 VAL G CA 1 ATOM 1069 C C . VAL A 1 138 ? -22.433 8.045 -1.693 1.00 45.08 ? 254 VAL G C 1 ATOM 1070 O O . VAL A 1 138 ? -22.254 7.497 -2.784 1.00 48.85 ? 254 VAL G O 1 ATOM 1071 C CB . VAL A 1 138 ? -22.512 6.042 -0.196 1.00 42.20 ? 254 VAL G CB 1 ATOM 1072 C CG1 . VAL A 1 138 ? -21.088 6.324 0.252 1.00 45.97 ? 254 VAL G CG1 1 ATOM 1073 C CG2 . VAL A 1 138 ? -23.288 5.335 0.905 1.00 46.37 ? 254 VAL G CG2 1 ATOM 1074 N N . VAL A 1 139 ? -21.965 9.255 -1.402 1.00 42.88 ? 255 VAL G N 1 ATOM 1075 C CA . VAL A 1 139 ? -21.175 10.023 -2.360 1.00 41.80 ? 255 VAL G CA 1 ATOM 1076 C C . VAL A 1 139 ? -19.683 9.767 -2.164 1.00 44.05 ? 255 VAL G C 1 ATOM 1077 O O . VAL A 1 139 ? -19.123 10.103 -1.119 1.00 43.78 ? 255 VAL G O 1 ATOM 1078 C CB . VAL A 1 139 ? -21.451 11.540 -2.240 1.00 42.77 ? 255 VAL G CB 1 ATOM 1079 C CG1 . VAL A 1 139 ? -20.529 12.328 -3.163 1.00 31.67 ? 255 VAL G CG1 1 ATOM 1080 C CG2 . VAL A 1 139 ? -22.910 11.848 -2.548 1.00 37.68 ? 255 VAL G CG2 1 ATOM 1081 N N . SER A 1 140 ? -19.043 9.169 -3.166 1.00 42.09 ? 256 SER G N 1 ATOM 1082 C CA . SER A 1 140 ? -17.609 8.896 -3.098 1.00 32.06 ? 256 SER G CA 1 ATOM 1083 C C . SER A 1 140 ? -16.956 8.822 -4.475 1.00 38.91 ? 256 SER G C 1 ATOM 1084 O O . SER A 1 140 ? -17.634 8.696 -5.494 1.00 33.98 ? 256 SER G O 1 ATOM 1085 C CB . SER A 1 140 ? -17.347 7.590 -2.351 1.00 33.78 ? 256 SER G CB 1 ATOM 1086 O OG . SER A 1 140 ? -17.848 6.479 -3.075 1.00 37.94 ? 256 SER G OG 1 ATOM 1087 N N . THR A 1 141 ? -15.629 8.896 -4.487 1.00 34.14 ? 257 THR G N 1 ATOM 1088 C CA . THR A 1 141 ? -14.853 8.692 -5.701 1.00 35.62 ? 257 THR G CA 1 ATOM 1089 C C . THR A 1 141 ? -13.885 7.530 -5.501 1.00 39.26 ? 257 THR G C 1 ATOM 1090 O O . THR A 1 141 ? -13.561 7.174 -4.362 1.00 41.98 ? 257 THR G O 1 ATOM 1091 C CB . THR A 1 141 ? -14.066 9.953 -6.098 1.00 36.92 ? 257 THR G CB 1 ATOM 1092 O OG1 . THR A 1 141 ? -13.057 10.219 -5.115 1.00 32.03 ? 257 THR G OG1 1 ATOM 1093 C CG2 . THR A 1 141 ? -15.000 11.151 -6.207 1.00 31.08 ? 257 THR G CG2 1 ATOM 1094 N N . GLN A 1 142 ? -13.447 6.946 -6.616 1.00 32.97 ? 258 GLN G N 1 ATOM 1095 C CA . GLN A 1 142 ? -12.524 5.804 -6.651 1.00 33.79 ? 258 GLN G CA 1 ATOM 1096 C C . GLN A 1 142 ? -13.134 4.517 -6.097 1.00 38.13 ? 258 GLN G C 1 ATOM 1097 O O . GLN A 1 142 ? -13.239 3.518 -6.809 1.00 40.81 ? 258 GLN G O 1 ATOM 1098 C CB . GLN A 1 142 ? -11.225 6.129 -5.903 1.00 36.74 ? 258 GLN G CB 1 ATOM 1099 C CG . GLN A 1 142 ? -10.454 7.301 -6.495 1.00 38.70 ? 258 GLN G CG 1 ATOM 1100 C CD . GLN A 1 142 ? -9.011 7.344 -6.031 1.00 45.10 ? 258 GLN G CD 1 ATOM 1101 O OE1 . GLN A 1 142 ? -8.548 6.453 -5.318 1.00 44.79 ? 258 GLN G OE1 1 ATOM 1102 N NE2 . GLN A 1 142 ? -8.289 8.381 -6.440 1.00 35.59 ? 258 GLN G NE2 1 ATOM 1103 N N . LEU A 1 143 ? -13.523 4.535 -4.828 1.00 42.50 ? 259 LEU G N 1 ATOM 1104 C CA . LEU A 1 143 ? -14.090 3.352 -4.194 1.00 36.62 ? 259 LEU G CA 1 ATOM 1105 C C . LEU A 1 143 ? -15.583 3.527 -3.949 1.00 45.03 ? 259 LEU G C 1 ATOM 1106 O O . LEU A 1 143 ? -16.024 4.577 -3.481 1.00 45.64 ? 259 LEU G O 1 ATOM 1107 C CB . LEU A 1 143 ? -13.380 3.059 -2.872 1.00 36.44 ? 259 LEU G CB 1 ATOM 1108 C CG . LEU A 1 143 ? -11.863 2.894 -2.916 1.00 38.06 ? 259 LEU G CG 1 ATOM 1109 C CD1 . LEU A 1 143 ? -11.315 2.737 -1.500 1.00 33.00 ? 259 LEU G CD1 1 ATOM 1110 C CD2 . LEU A 1 143 ? -11.474 1.706 -3.784 1.00 37.17 ? 259 LEU G CD2 1 ATOM 1111 N N . LEU A 1 144 ? -16.363 2.503 -4.274 1.00 38.03 ? 260 LEU G N 1 ATOM 1112 C CA . LEU A 1 144 ? -17.780 2.512 -3.943 1.00 37.21 ? 260 LEU G CA 1 ATOM 1113 C C . LEU A 1 144 ? -17.946 1.910 -2.555 1.00 43.03 ? 260 LEU G C 1 ATOM 1114 O O . LEU A 1 144 ? -17.485 0.800 -2.295 1.00 43.31 ? 260 LEU G O 1 ATOM 1115 C CB . LEU A 1 144 ? -18.597 1.741 -4.980 1.00 36.54 ? 260 LEU G CB 1 ATOM 1116 C CG . LEU A 1 144 ? -18.541 2.262 -6.419 1.00 40.68 ? 260 LEU G CG 1 ATOM 1117 C CD1 . LEU A 1 144 ? -19.337 1.357 -7.344 1.00 33.20 ? 260 LEU G CD1 1 ATOM 1118 C CD2 . LEU A 1 144 ? -19.052 3.694 -6.504 1.00 35.06 ? 260 LEU G CD2 1 ATOM 1119 N N . LEU A 1 145 ? -18.592 2.651 -1.662 1.00 41.14 ? 261 LEU G N 1 ATOM 1120 C CA . LEU A 1 145 ? -18.686 2.246 -0.265 1.00 43.37 ? 261 LEU G CA 1 ATOM 1121 C C . LEU A 1 145 ? -20.104 1.863 0.133 1.00 46.94 ? 261 LEU G C 1 ATOM 1122 O O . LEU A 1 145 ? -21.072 2.455 -0.347 1.00 40.78 ? 261 LEU G O 1 ATOM 1123 C CB . LEU A 1 145 ? -18.184 3.370 0.645 1.00 40.83 ? 261 LEU G CB 1 ATOM 1124 C CG . LEU A 1 145 ? -16.753 3.843 0.384 1.00 42.65 ? 261 LEU G CG 1 ATOM 1125 C CD1 . LEU A 1 145 ? -16.405 5.017 1.279 1.00 41.85 ? 261 LEU G CD1 1 ATOM 1126 C CD2 . LEU A 1 145 ? -15.772 2.696 0.584 1.00 42.18 ? 261 LEU G CD2 1 ATOM 1127 N N . ASN A 1 146 ? -20.212 0.861 1.004 1.00 45.01 ? 262 ASN G N 1 ATOM 1128 C CA . ASN A 1 146 ? -21.479 0.495 1.631 1.00 47.64 ? 262 ASN G CA 1 ATOM 1129 C C . ASN A 1 146 ? -22.582 0.106 0.646 1.00 47.47 ? 262 ASN G C 1 ATOM 1130 O O . ASN A 1 146 ? -23.768 0.247 0.944 1.00 47.06 ? 262 ASN G O 1 ATOM 1131 C CB . ASN A 1 146 ? -21.965 1.649 2.513 1.00 44.29 ? 262 ASN G CB 1 ATOM 1132 C CG . ASN A 1 146 ? -21.283 1.678 3.867 1.00 51.52 ? 262 ASN G CG 1 ATOM 1133 O OD1 . ASN A 1 146 ? -20.413 0.852 4.157 1.00 43.71 ? 262 ASN G OD1 1 ATOM 1134 N ND2 . ASN A 1 146 ? -21.676 2.638 4.705 1.00 63.51 ? 262 ASN G ND2 1 ATOM 1135 N N . GLY A 1 147 ? -22.189 -0.387 -0.524 1.00 51.81 ? 263 GLY G N 1 ATOM 1136 C CA . GLY A 1 147 ? -23.149 -0.765 -1.545 1.00 44.95 ? 263 GLY G CA 1 ATOM 1137 C C . GLY A 1 147 ? -23.494 -2.241 -1.502 1.00 50.83 ? 263 GLY G C 1 ATOM 1138 O O . GLY A 1 147 ? -23.104 -2.951 -0.575 1.00 53.14 ? 263 GLY G O 1 ATOM 1139 N N . SER A 1 148 ? -24.229 -2.701 -2.510 1.00 55.86 ? 264 SER G N 1 ATOM 1140 C CA . SER A 1 148 ? -24.580 -4.113 -2.628 1.00 56.39 ? 264 SER G CA 1 ATOM 1141 C C . SER A 1 148 ? -23.454 -4.901 -3.291 1.00 56.37 ? 264 SER G C 1 ATOM 1142 O O . SER A 1 148 ? -22.681 -4.350 -4.074 1.00 50.01 ? 264 SER G O 1 ATOM 1143 C CB . SER A 1 148 ? -25.873 -4.282 -3.430 1.00 60.79 ? 264 SER G CB 1 ATOM 1144 O OG . SER A 1 148 ? -26.897 -3.433 -2.943 1.00 67.10 ? 264 SER G OG 1 ATOM 1145 N N . LEU A 1 149 ? -23.370 -6.190 -2.979 1.00 49.22 ? 265 LEU G N 1 ATOM 1146 C CA . LEU A 1 149 ? -22.362 -7.061 -3.578 1.00 54.06 ? 265 LEU G CA 1 ATOM 1147 C C . LEU A 1 149 ? -22.949 -7.889 -4.715 1.00 57.25 ? 265 LEU G C 1 ATOM 1148 O O . LEU A 1 149 ? -24.124 -8.254 -4.679 1.00 64.19 ? 265 LEU G O 1 ATOM 1149 C CB . LEU A 1 149 ? -21.761 -7.997 -2.523 1.00 50.95 ? 265 LEU G CB 1 ATOM 1150 C CG . LEU A 1 149 ? -20.953 -7.386 -1.376 1.00 49.20 ? 265 LEU G CG 1 ATOM 1151 C CD1 . LEU A 1 149 ? -20.650 -8.445 -0.331 1.00 52.81 ? 265 LEU G CD1 1 ATOM 1152 C CD2 . LEU A 1 149 ? -19.666 -6.774 -1.904 1.00 48.56 ? 265 LEU G CD2 1 ATOM 1153 N N . ALA A 1 150 ? -22.128 -8.184 -5.720 1.00 51.69 ? 266 ALA G N 1 ATOM 1154 C CA . ALA A 1 150 ? -22.511 -9.123 -6.773 1.00 58.04 ? 266 ALA G CA 1 ATOM 1155 C C . ALA A 1 150 ? -22.691 -10.526 -6.186 1.00 63.83 ? 266 ALA G C 1 ATOM 1156 O O . ALA A 1 150 ? -21.915 -10.949 -5.328 1.00 61.88 ? 266 ALA G O 1 ATOM 1157 C CB . ALA A 1 150 ? -21.470 -9.133 -7.885 1.00 50.42 ? 266 ALA G CB 1 ATOM 1158 N N . GLU A 1 151 ? -23.713 -11.242 -6.652 1.00 74.18 ? 267 GLU G N 1 ATOM 1159 C CA . GLU A 1 151 ? -24.094 -12.529 -6.066 1.00 80.00 ? 267 GLU G CA 1 ATOM 1160 C C . GLU A 1 151 ? -23.055 -13.633 -6.280 1.00 79.63 ? 267 GLU G C 1 ATOM 1161 O O . GLU A 1 151 ? -22.730 -14.377 -5.352 1.00 80.39 ? 267 GLU G O 1 ATOM 1162 C CB . GLU A 1 151 ? -25.440 -12.993 -6.634 1.00 90.82 ? 267 GLU G CB 1 ATOM 1163 C CG . GLU A 1 151 ? -26.556 -11.957 -6.572 1.00 96.14 ? 267 GLU G CG 1 ATOM 1164 C CD . GLU A 1 151 ? -27.235 -11.891 -5.216 1.00 98.62 ? 267 GLU G CD 1 ATOM 1165 O OE1 . GLU A 1 151 ? -27.146 -12.875 -4.451 1.00 112.03 ? 267 GLU G OE1 1 ATOM 1166 O OE2 . GLU A 1 151 ? -27.862 -10.851 -4.919 1.00 94.69 ? 267 GLU G OE2 1 ATOM 1167 N N . GLU A 1 152 ? -22.548 -13.750 -7.505 1.00 65.86 ? 268 GLU G N 1 ATOM 1168 C CA . GLU A 1 152 ? -21.636 -14.841 -7.845 1.00 63.96 ? 268 GLU G CA 1 ATOM 1169 C C . GLU A 1 152 ? -20.209 -14.366 -8.098 1.00 60.05 ? 268 GLU G C 1 ATOM 1170 O O . GLU A 1 152 ? -19.416 -14.230 -7.167 1.00 60.20 ? 268 GLU G O 1 ATOM 1171 C CB . GLU A 1 152 ? -22.148 -15.601 -9.070 1.00 70.83 ? 268 GLU G CB 1 ATOM 1172 C CG . GLU A 1 152 ? -23.337 -16.507 -8.787 1.00 80.14 ? 268 GLU G CG 1 ATOM 1173 C CD . GLU A 1 152 ? -23.641 -17.448 -9.938 1.00 91.02 ? 268 GLU G CD 1 ATOM 1174 O OE1 . GLU A 1 152 ? -22.916 -17.402 -10.954 1.00 89.73 ? 268 GLU G OE1 1 ATOM 1175 O OE2 . GLU A 1 152 ? -24.605 -18.236 -9.825 1.00 97.85 ? 268 GLU G OE2 1 ATOM 1176 N N . GLU A 1 153 ? -19.880 -14.126 -9.363 1.00 60.08 ? 269 GLU G N 1 ATOM 1177 C CA . GLU A 1 153 ? -18.533 -13.701 -9.724 1.00 65.61 ? 269 GLU G CA 1 ATOM 1178 C C . GLU A 1 153 ? -18.394 -12.186 -9.662 1.00 60.12 ? 269 GLU G C 1 ATOM 1179 O O . GLU A 1 153 ? -19.388 -11.464 -9.601 1.00 55.32 ? 269 GLU G O 1 ATOM 1180 C CB . GLU A 1 153 ? -18.168 -14.200 -11.126 1.00 69.83 ? 269 GLU G CB 1 ATOM 1181 C CG . GLU A 1 153 ? -18.353 -15.698 -11.312 1.00 82.75 ? 269 GLU G CG 1 ATOM 1182 C CD . GLU A 1 153 ? -17.389 -16.286 -12.323 1.00 93.30 ? 269 GLU G CD 1 ATOM 1183 O OE1 . GLU A 1 153 ? -17.618 -17.431 -12.766 1.00 106.74 ? 269 GLU G OE1 1 ATOM 1184 O OE2 . GLU A 1 153 ? -16.399 -15.608 -12.668 1.00 92.76 ? 269 GLU G OE2 1 ATOM 1185 N N . ILE A 1 154 ? -17.152 -11.712 -9.662 1.00 60.50 ? 270 ILE G N 1 ATOM 1186 C CA . ILE A 1 154 ? -16.886 -10.292 -9.833 1.00 55.74 ? 270 ILE G CA 1 ATOM 1187 C C . ILE A 1 154 ? -17.346 -9.892 -11.228 1.00 53.01 ? 270 ILE G C 1 ATOM 1188 O O . ILE A 1 154 ? -17.098 -10.608 -12.196 1.00 60.45 ? 270 ILE G O 1 ATOM 1189 C CB . ILE A 1 154 ? -15.395 -9.964 -9.645 1.00 56.86 ? 270 ILE G CB 1 ATOM 1190 C CG1 . ILE A 1 154 ? -14.974 -10.245 -8.200 1.00 56.82 ? 270 ILE G CG1 1 ATOM 1191 C CG2 . ILE A 1 154 ? -15.103 -8.516 -10.031 1.00 43.88 ? 270 ILE G CG2 1 ATOM 1192 C CD1 . ILE A 1 154 ? -13.515 -9.980 -7.924 1.00 58.97 ? 270 ILE G CD1 1 ATOM 1193 N N . ILE A 1 155 ? -18.032 -8.760 -11.330 1.00 50.22 ? 271 ILE G N 1 ATOM 1194 C CA . ILE A 1 155 ? -18.614 -8.350 -12.601 1.00 51.46 ? 271 ILE G CA 1 ATOM 1195 C C . ILE A 1 155 ? -18.043 -7.028 -13.097 1.00 49.99 ? 271 ILE G C 1 ATOM 1196 O O . ILE A 1 155 ? -18.057 -6.026 -12.384 1.00 46.20 ? 271 ILE G O 1 ATOM 1197 C CB . ILE A 1 155 ? -20.146 -8.232 -12.490 1.00 56.21 ? 271 ILE G CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? -20.753 -9.604 -12.174 1.00 60.70 ? 271 ILE G CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? -20.734 -7.653 -13.767 1.00 51.22 ? 271 ILE G CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? -22.258 -9.593 -12.009 1.00 63.63 ? 271 ILE G CD1 1 ATOM 1201 N N . ILE A 1 156 ? -17.528 -7.038 -14.323 1.00 44.94 ? 272 ILE G N 1 ATOM 1202 C CA . ILE A 1 156 ? -17.041 -5.820 -14.953 1.00 43.15 ? 272 ILE G CA 1 ATOM 1203 C C . ILE A 1 156 ? -18.186 -5.144 -15.692 1.00 47.91 ? 272 ILE G C 1 ATOM 1204 O O . ILE A 1 156 ? -18.862 -5.773 -16.507 1.00 44.64 ? 272 ILE G O 1 ATOM 1205 C CB . ILE A 1 156 ? -15.885 -6.099 -15.931 1.00 47.62 ? 272 ILE G CB 1 ATOM 1206 C CG1 . ILE A 1 156 ? -14.771 -6.878 -15.230 1.00 45.87 ? 272 ILE G CG1 1 ATOM 1207 C CG2 . ILE A 1 156 ? -15.348 -4.796 -16.518 1.00 47.11 ? 272 ILE G CG2 1 ATOM 1208 C CD1 . ILE A 1 156 ? -14.262 -6.221 -13.961 1.00 42.17 ? 272 ILE G CD1 1 ATOM 1209 N N . ARG A 1 157 ? -18.407 -3.866 -15.398 1.00 39.01 ? 273 ARG G N 1 ATOM 1210 C CA . ARG A 1 157 ? -19.492 -3.118 -16.022 1.00 42.64 ? 273 ARG G CA 1 ATOM 1211 C C . ARG A 1 157 ? -18.973 -1.910 -16.791 1.00 42.13 ? 273 ARG G C 1 ATOM 1212 O O . ARG A 1 157 ? -18.202 -1.110 -16.262 1.00 39.09 ? 273 ARG G O 1 ATOM 1213 C CB . ARG A 1 157 ? -20.506 -2.663 -14.971 1.00 41.66 ? 273 ARG G CB 1 ATOM 1214 C CG . ARG A 1 157 ? -20.942 -3.762 -14.019 1.00 49.10 ? 273 ARG G CG 1 ATOM 1215 C CD . ARG A 1 157 ? -22.096 -3.308 -13.141 1.00 48.79 ? 273 ARG G CD 1 ATOM 1216 N NE . ARG A 1 157 ? -22.412 -4.295 -12.114 1.00 52.95 ? 273 ARG G NE 1 ATOM 1217 C CZ . ARG A 1 157 ? -23.134 -5.391 -12.328 1.00 54.55 ? 273 ARG G CZ 1 ATOM 1218 N NH1 . ARG A 1 157 ? -23.371 -6.234 -11.332 1.00 52.47 ? 273 ARG G NH1 1 ATOM 1219 N NH2 . ARG A 1 157 ? -23.616 -5.646 -13.537 1.00 45.03 ? 273 ARG G NH2 1 ATOM 1220 N N . SER A 1 158 ? -19.400 -1.792 -18.045 1.00 43.25 ? 274 SER G N 1 ATOM 1221 C CA . SER A 1 158 ? -19.061 -0.648 -18.884 1.00 41.25 ? 274 SER G CA 1 ATOM 1222 C C . SER A 1 158 ? -20.018 -0.552 -20.063 1.00 39.74 ? 274 SER G C 1 ATOM 1223 O O . SER A 1 158 ? -20.463 -1.570 -20.593 1.00 40.01 ? 274 SER G O 1 ATOM 1224 C CB . SER A 1 158 ? -17.622 -0.743 -19.392 1.00 32.15 ? 274 SER G CB 1 ATOM 1225 O OG . SER A 1 158 ? -17.368 0.248 -20.379 1.00 37.00 ? 274 SER G OG 1 ATOM 1226 N N . GLU A 1 159 ? -20.334 0.672 -20.472 1.00 37.19 ? 275 GLU G N 1 ATOM 1227 C CA . GLU A 1 159 ? -21.176 0.873 -21.642 1.00 39.75 ? 275 GLU G CA 1 ATOM 1228 C C . GLU A 1 159 ? -20.443 0.378 -22.882 1.00 37.57 ? 275 GLU G C 1 ATOM 1229 O O . GLU A 1 159 ? -21.065 -0.057 -23.850 1.00 43.49 ? 275 GLU G O 1 ATOM 1230 C CB . GLU A 1 159 ? -21.559 2.347 -21.794 1.00 47.51 ? 275 GLU G CB 1 ATOM 1231 C CG . GLU A 1 159 ? -22.634 2.610 -22.842 1.00 47.37 ? 275 GLU G CG 1 ATOM 1232 C CD . GLU A 1 159 ? -23.162 4.035 -22.794 1.00 52.53 ? 275 GLU G CD 1 ATOM 1233 O OE1 . GLU A 1 159 ? -22.475 4.908 -22.222 1.00 56.82 ? 275 GLU G OE1 1 ATOM 1234 O OE2 . GLU A 1 159 ? -24.268 4.279 -23.321 1.00 58.86 ? 275 GLU G OE2 1 ATOM 1235 N N . ASN A 1 160 ? -19.114 0.435 -22.831 1.00 35.89 ? 276 ASN G N 1 ATOM 1236 C CA . ASN A 1 160 ? -18.272 -0.003 -23.940 1.00 36.26 ? 276 ASN G CA 1 ATOM 1237 C C . ASN A 1 160 ? -16.799 -0.062 -23.559 1.00 40.12 ? 276 ASN G C 1 ATOM 1238 O O . ASN A 1 160 ? -16.111 0.962 -23.563 1.00 36.96 ? 276 ASN G O 1 ATOM 1239 C CB . ASN A 1 160 ? -18.448 0.928 -25.136 1.00 39.74 ? 276 ASN G CB 1 ATOM 1240 C CG . ASN A 1 160 ? -18.920 0.203 -26.370 1.00 63.17 ? 276 ASN G CG 1 ATOM 1241 O OD1 . ASN A 1 160 ? -18.358 -0.820 -26.762 1.00 73.31 ? 276 ASN G OD1 1 ATOM 1242 N ND2 . ASN A 1 160 ? -19.967 0.727 -26.988 1.00 92.09 ? 276 ASN G ND2 1 ATOM 1243 N N . LEU A 1 161 ? -16.319 -1.263 -23.248 1.00 35.46 ? 277 LEU G N 1 ATOM 1244 C CA . LEU A 1 161 ? -14.946 -1.463 -22.787 1.00 41.92 ? 277 LEU G CA 1 ATOM 1245 C C . LEU A 1 161 ? -13.894 -0.964 -23.776 1.00 35.20 ? 277 LEU G C 1 ATOM 1246 O O . LEU A 1 161 ? -12.805 -0.556 -23.374 1.00 57.31 ? 277 LEU G O 1 ATOM 1247 C CB . LEU A 1 161 ? -14.696 -2.946 -22.490 1.00 40.77 ? 277 LEU G CB 1 ATOM 1248 C CG . LEU A 1 161 ? -15.292 -3.507 -21.197 1.00 44.39 ? 277 LEU G CG 1 ATOM 1249 C CD1 . LEU A 1 161 ? -15.008 -4.994 -21.091 1.00 43.50 ? 277 LEU G CD1 1 ATOM 1250 C CD2 . LEU A 1 161 ? -14.744 -2.769 -19.984 1.00 41.29 ? 277 LEU G CD2 1 ATOM 1251 N N . THR A 1 162 ? -14.213 -1.005 -25.065 1.00 36.58 ? 278 THR G N 1 ATOM 1252 C CA . THR A 1 162 ? -13.270 -0.562 -26.086 1.00 39.44 ? 278 THR G CA 1 ATOM 1253 C C . THR A 1 162 ? -13.195 0.965 -26.162 1.00 38.57 ? 278 THR G C 1 ATOM 1254 O O . THR A 1 162 ? -12.316 1.515 -26.822 1.00 41.49 ? 278 THR G O 1 ATOM 1255 C CB . THR A 1 162 ? -13.636 -1.120 -27.474 1.00 50.79 ? 278 THR G CB 1 ATOM 1256 O OG1 . THR A 1 162 ? -14.965 -0.711 -27.820 1.00 67.13 ? 278 THR G OG1 1 ATOM 1257 C CG2 . THR A 1 162 ? -13.561 -2.639 -27.478 1.00 55.46 ? 278 THR G CG2 1 ATOM 1258 N N . ASN A 1 163 ? -14.117 1.641 -25.481 1.00 37.93 ? 279 ASN G N 1 ATOM 1259 C CA . ASN A 1 163 ? -14.159 3.104 -25.460 1.00 35.87 ? 279 ASN G CA 1 ATOM 1260 C C . ASN A 1 163 ? -13.519 3.648 -24.183 1.00 35.84 ? 279 ASN G C 1 ATOM 1261 O O . ASN A 1 163 ? -14.125 3.597 -23.115 1.00 35.26 ? 279 ASN G O 1 ATOM 1262 C CB . ASN A 1 163 ? -15.611 3.593 -25.585 1.00 35.45 ? 279 ASN G CB 1 ATOM 1263 C CG . ASN A 1 163 ? -15.721 5.107 -25.751 1.00 36.12 ? 279 ASN G CG 1 ATOM 1264 O OD1 . ASN A 1 163 ? -14.853 5.863 -25.320 1.00 35.24 ? 279 ASN G OD1 1 ATOM 1265 N ND2 . ASN A 1 163 ? -16.808 5.551 -26.371 1.00 33.49 ? 279 ASN G ND2 1 ATOM 1266 N N . ASN A 1 164 ? -12.307 4.186 -24.297 1.00 31.03 ? 280 ASN G N 1 ATOM 1267 C CA . ASN A 1 164 ? -11.548 4.608 -23.119 1.00 29.78 ? 280 ASN G CA 1 ATOM 1268 C C . ASN A 1 164 ? -12.158 5.804 -22.379 1.00 36.29 ? 280 ASN G C 1 ATOM 1269 O O . ASN A 1 164 ? -11.684 6.180 -21.307 1.00 37.15 ? 280 ASN G O 1 ATOM 1270 C CB . ASN A 1 164 ? -10.091 4.922 -23.508 1.00 33.99 ? 280 ASN G CB 1 ATOM 1271 C CG . ASN A 1 164 ? -9.953 6.171 -24.381 1.00 41.91 ? 280 ASN G CG 1 ATOM 1272 O OD1 . ASN A 1 164 ? -10.447 7.247 -24.043 1.00 37.48 ? 280 ASN G OD1 1 ATOM 1273 N ND2 . ASN A 1 164 ? -9.258 6.029 -25.506 1.00 31.83 ? 280 ASN G ND2 1 ATOM 1274 N N . ALA A 1 165 ? -13.199 6.402 -22.950 1.00 35.76 ? 281 ALA G N 1 ATOM 1275 C CA . ALA A 1 165 ? -13.867 7.533 -22.313 1.00 39.74 ? 281 ALA G CA 1 ATOM 1276 C C . ALA A 1 165 ? -15.023 7.075 -21.428 1.00 40.45 ? 281 ALA G C 1 ATOM 1277 O O . ALA A 1 165 ? -15.550 7.856 -20.636 1.00 39.21 ? 281 ALA G O 1 ATOM 1278 C CB . ALA A 1 165 ? -14.364 8.522 -23.363 1.00 37.97 ? 281 ALA G CB 1 ATOM 1279 N N . LYS A 1 166 ? -15.414 5.809 -21.561 1.00 35.53 ? 282 LYS G N 1 ATOM 1280 C CA . LYS A 1 166 ? -16.502 5.264 -20.752 1.00 39.45 ? 282 LYS G CA 1 ATOM 1281 C C . LYS A 1 166 ? -15.978 4.711 -19.434 1.00 40.76 ? 282 LYS G C 1 ATOM 1282 O O . LYS A 1 166 ? -14.944 4.046 -19.398 1.00 41.02 ? 282 LYS G O 1 ATOM 1283 C CB . LYS A 1 166 ? -17.256 4.170 -21.515 1.00 44.04 ? 282 LYS G CB 1 ATOM 1284 C CG . LYS A 1 166 ? -17.938 4.652 -22.790 1.00 53.27 ? 282 LYS G CG 1 ATOM 1285 C CD . LYS A 1 166 ? -18.872 5.824 -22.518 1.00 50.38 ? 282 LYS G CD 1 ATOM 1286 C CE . LYS A 1 166 ? -19.538 6.309 -23.798 1.00 51.79 ? 282 LYS G CE 1 ATOM 1287 N NZ . LYS A 1 166 ? -20.198 7.636 -23.618 1.00 56.83 ? 282 LYS G NZ 1 ATOM 1288 N N . THR A 1 167 ? -16.703 4.992 -18.354 1.00 40.63 ? 283 THR G N 1 ATOM 1289 C CA . THR A 1 167 ? -16.319 4.549 -17.020 1.00 42.19 ? 283 THR G CA 1 ATOM 1290 C C . THR A 1 167 ? -16.431 3.032 -16.891 1.00 39.53 ? 283 THR G C 1 ATOM 1291 O O . THR A 1 167 ? -17.309 2.409 -17.492 1.00 37.78 ? 283 THR G O 1 ATOM 1292 C CB . THR A 1 167 ? -17.193 5.217 -15.925 1.00 47.20 ? 283 THR G CB 1 ATOM 1293 O OG1 . THR A 1 167 ? -17.234 6.634 -16.132 1.00 57.94 ? 283 THR G OG1 1 ATOM 1294 C CG2 . THR A 1 167 ? -16.638 4.929 -14.529 1.00 48.03 ? 283 THR G CG2 1 ATOM 1295 N N . ILE A 1 168 ? -15.530 2.441 -16.114 1.00 33.65 ? 284 ILE G N 1 ATOM 1296 C CA . ILE A 1 168 ? -15.618 1.026 -15.784 1.00 34.11 ? 284 ILE G CA 1 ATOM 1297 C C . ILE A 1 168 ? -15.970 0.850 -14.315 1.00 39.99 ? 284 ILE G C 1 ATOM 1298 O O . ILE A 1 168 ? -15.324 1.427 -13.436 1.00 44.83 ? 284 ILE G O 1 ATOM 1299 C CB . ILE A 1 168 ? -14.304 0.286 -16.080 1.00 41.46 ? 284 ILE G CB 1 ATOM 1300 C CG1 . ILE A 1 168 ? -13.905 0.472 -17.543 1.00 37.15 ? 284 ILE G CG1 1 ATOM 1301 C CG2 . ILE A 1 168 ? -14.437 -1.195 -15.744 1.00 45.62 ? 284 ILE G CG2 1 ATOM 1302 C CD1 . ILE A 1 168 ? -12.513 -0.024 -17.856 1.00 42.38 ? 284 ILE G CD1 1 ATOM 1303 N N . ILE A 1 169 ? -17.006 0.062 -14.051 1.00 44.04 ? 285 ILE G N 1 ATOM 1304 C CA . ILE A 1 169 ? -17.374 -0.269 -12.681 1.00 39.61 ? 285 ILE G CA 1 ATOM 1305 C C . ILE A 1 169 ? -17.045 -1.720 -12.380 1.00 45.79 ? 285 ILE G C 1 ATOM 1306 O O . ILE A 1 169 ? -17.564 -2.632 -13.024 1.00 46.73 ? 285 ILE G O 1 ATOM 1307 C CB . ILE A 1 169 ? -18.866 -0.030 -12.412 1.00 34.18 ? 285 ILE G CB 1 ATOM 1308 C CG1 . ILE A 1 169 ? -19.195 1.459 -12.536 1.00 37.24 ? 285 ILE G CG1 1 ATOM 1309 C CG2 . ILE A 1 169 ? -19.247 -0.558 -11.028 1.00 33.32 ? 285 ILE G CG2 1 ATOM 1310 C CD1 . ILE A 1 169 ? -20.673 1.773 -12.417 1.00 40.32 ? 285 ILE G CD1 1 ATOM 1311 N N . VAL A 1 170 ? -16.167 -1.926 -11.407 1.00 44.60 ? 286 VAL G N 1 ATOM 1312 C CA . VAL A 1 170 ? -15.862 -3.265 -10.931 1.00 45.80 ? 286 VAL G CA 1 ATOM 1313 C C . VAL A 1 170 ? -16.744 -3.577 -9.733 1.00 49.81 ? 286 VAL G C 1 ATOM 1314 O O . VAL A 1 170 ? -16.633 -2.936 -8.692 1.00 48.67 ? 286 VAL G O 1 ATOM 1315 C CB . VAL A 1 170 ? -14.382 -3.410 -10.540 1.00 38.08 ? 286 VAL G CB 1 ATOM 1316 C CG1 . VAL A 1 170 ? -14.104 -4.816 -10.034 1.00 39.09 ? 286 VAL G CG1 1 ATOM 1317 C CG2 . VAL A 1 170 ? -13.490 -3.073 -11.727 1.00 39.40 ? 286 VAL G CG2 1 ATOM 1318 N N . HIS A 1 171 ? -17.633 -4.551 -9.888 1.00 45.15 ? 287 HIS G N 1 ATOM 1319 C CA . HIS A 1 171 ? -18.555 -4.907 -8.820 1.00 45.13 ? 287 HIS G CA 1 ATOM 1320 C C . HIS A 1 171 ? -18.041 -6.136 -8.072 1.00 51.28 ? 287 HIS G C 1 ATOM 1321 O O . HIS A 1 171 ? -18.012 -7.241 -8.615 1.00 43.74 ? 287 HIS G O 1 ATOM 1322 C CB . HIS A 1 171 ? -19.955 -5.158 -9.382 1.00 42.19 ? 287 HIS G CB 1 ATOM 1323 C CG . HIS A 1 171 ? -21.038 -5.122 -8.348 1.00 46.98 ? 287 HIS G CG 1 ATOM 1324 N ND1 . HIS A 1 171 ? -22.336 -5.497 -8.619 1.00 46.78 ? 287 HIS G ND1 1 ATOM 1325 C CD2 . HIS A 1 171 ? -21.016 -4.748 -7.047 1.00 51.26 ? 287 HIS G CD2 1 ATOM 1326 C CE1 . HIS A 1 171 ? -23.068 -5.359 -7.527 1.00 52.99 ? 287 HIS G CE1 1 ATOM 1327 N NE2 . HIS A 1 171 ? -22.292 -4.906 -6.559 1.00 52.58 ? 287 HIS G NE2 1 ATOM 1328 N N . LEU A 1 172 ? -17.631 -5.929 -6.825 1.00 43.00 ? 288 LEU G N 1 ATOM 1329 C CA . LEU A 1 172 ? -17.028 -6.983 -6.016 1.00 49.95 ? 288 LEU G CA 1 ATOM 1330 C C . LEU A 1 172 ? -18.067 -7.975 -5.508 1.00 51.34 ? 288 LEU G C 1 ATOM 1331 O O . LEU A 1 172 ? -19.235 -7.626 -5.338 1.00 44.49 ? 288 LEU G O 1 ATOM 1332 C CB . LEU A 1 172 ? -16.269 -6.371 -4.836 1.00 39.95 ? 288 LEU G CB 1 ATOM 1333 C CG . LEU A 1 172 ? -15.207 -5.332 -5.208 1.00 49.61 ? 288 LEU G CG 1 ATOM 1334 C CD1 . LEU A 1 172 ? -14.561 -4.744 -3.963 1.00 50.05 ? 288 LEU G CD1 1 ATOM 1335 C CD2 . LEU A 1 172 ? -14.156 -5.945 -6.126 1.00 48.66 ? 288 LEU G CD2 1 ATOM 1336 N N . ASN A 1 173 ? -17.638 -9.214 -5.273 1.00 57.14 ? 289 ASN G N 1 ATOM 1337 C CA . ASN A 1 173 ? -18.515 -10.223 -4.690 1.00 55.01 ? 289 ASN G CA 1 ATOM 1338 C C . ASN A 1 173 ? -18.159 -10.488 -3.235 1.00 59.66 ? 289 ASN G C 1 ATOM 1339 O O . ASN A 1 173 ? -18.769 -11.331 -2.577 1.00 56.86 ? 289 ASN G O 1 ATOM 1340 C CB . ASN A 1 173 ? -18.471 -11.533 -5.493 1.00 59.84 ? 289 ASN G CB 1 ATOM 1341 C CG . ASN A 1 173 ? -17.072 -12.145 -5.584 1.00 65.96 ? 289 ASN G CG 1 ATOM 1342 O OD1 . ASN A 1 173 ? -16.112 -11.657 -4.988 1.00 66.19 ? 289 ASN G OD1 1 ATOM 1343 N ND2 . ASN A 1 173 ? -16.966 -13.234 -6.342 1.00 79.46 ? 289 ASN G ND2 1 ATOM 1344 N N . LYS A 1 174 ? -17.164 -9.758 -2.742 1.00 58.69 ? 290 LYS G N 1 ATOM 1345 C CA . LYS A 1 174 ? -16.716 -9.894 -1.364 1.00 56.31 ? 290 LYS G CA 1 ATOM 1346 C C . LYS A 1 174 ? -16.290 -8.538 -0.816 1.00 56.95 ? 290 LYS G C 1 ATOM 1347 O O . LYS A 1 174 ? -15.396 -7.892 -1.364 1.00 54.57 ? 290 LYS G O 1 ATOM 1348 C CB . LYS A 1 174 ? -15.562 -10.894 -1.271 1.00 67.23 ? 290 LYS G CB 1 ATOM 1349 C CG . LYS A 1 174 ? -15.302 -11.432 0.128 1.00 77.00 ? 290 LYS G CG 1 ATOM 1350 C CD . LYS A 1 174 ? -14.096 -12.361 0.139 1.00 94.38 ? 290 LYS G CD 1 ATOM 1351 C CE . LYS A 1 174 ? -14.227 -13.456 -0.913 1.00 103.18 ? 290 LYS G CE 1 ATOM 1352 N NZ . LYS A 1 174 ? -13.000 -14.297 -1.013 1.00 105.32 ? 290 LYS G NZ 1 ATOM 1353 N N . SER A 1 175 ? -16.939 -8.106 0.260 1.00 58.04 ? 291 SER G N 1 ATOM 1354 C CA . SER A 1 175 ? -16.645 -6.812 0.864 1.00 64.76 ? 291 SER G CA 1 ATOM 1355 C C . SER A 1 175 ? -15.251 -6.777 1.476 1.00 60.94 ? 291 SER G C 1 ATOM 1356 O O . SER A 1 175 ? -14.765 -7.776 2.002 1.00 65.46 ? 291 SER G O 1 ATOM 1357 C CB . SER A 1 175 ? -17.683 -6.469 1.937 1.00 71.50 ? 291 SER G CB 1 ATOM 1358 O OG . SER A 1 175 ? -18.955 -6.232 1.363 1.00 77.46 ? 291 SER G OG 1 ATOM 1359 N N . VAL A 1 176 ? -14.612 -5.616 1.396 1.00 56.13 ? 292 VAL G N 1 ATOM 1360 C CA . VAL A 1 176 ? -13.339 -5.388 2.067 1.00 63.75 ? 292 VAL G CA 1 ATOM 1361 C C . VAL A 1 176 ? -13.448 -4.122 2.903 1.00 57.64 ? 292 VAL G C 1 ATOM 1362 O O . VAL A 1 176 ? -13.546 -3.023 2.361 1.00 51.19 ? 292 VAL G O 1 ATOM 1363 C CB . VAL A 1 176 ? -12.173 -5.253 1.070 1.00 68.18 ? 292 VAL G CB 1 ATOM 1364 C CG1 . VAL A 1 176 ? -10.888 -4.903 1.804 1.00 72.63 ? 292 VAL G CG1 1 ATOM 1365 C CG2 . VAL A 1 176 ? -12.005 -6.536 0.271 1.00 59.63 ? 292 VAL G CG2 1 ATOM 1366 N N . GLU A 1 177 ? -13.444 -4.277 4.222 1.00 51.06 ? 293 GLU G N 1 ATOM 1367 C CA . GLU A 1 177 ? -13.632 -3.135 5.109 1.00 58.65 ? 293 GLU G CA 1 ATOM 1368 C C . GLU A 1 177 ? -12.548 -2.075 4.940 1.00 55.11 ? 293 GLU G C 1 ATOM 1369 O O . GLU A 1 177 ? -11.371 -2.388 4.761 1.00 55.31 ? 293 GLU G O 1 ATOM 1370 C CB . GLU A 1 177 ? -13.676 -3.588 6.569 1.00 59.02 ? 293 GLU G CB 1 ATOM 1371 C CG . GLU A 1 177 ? -15.015 -4.152 7.006 1.00 71.38 ? 293 GLU G CG 1 ATOM 1372 C CD . GLU A 1 177 ? -15.070 -4.421 8.496 1.00 75.20 ? 293 GLU G CD 1 ATOM 1373 O OE1 . GLU A 1 177 ? -16.054 -5.038 8.955 1.00 85.55 ? 293 GLU G OE1 1 ATOM 1374 O OE2 . GLU A 1 177 ? -14.128 -4.014 9.209 1.00 65.48 ? 293 GLU G OE2 1 ATOM 1375 N N . ILE A 1 178 ? -12.963 -0.815 4.980 1.00 50.49 ? 294 ILE G N 1 ATOM 1376 C CA . ILE A 1 178 ? -12.020 0.287 5.073 1.00 52.08 ? 294 ILE G CA 1 ATOM 1377 C C . ILE A 1 178 ? -12.343 1.088 6.338 1.00 50.61 ? 294 ILE G C 1 ATOM 1378 O O . ILE A 1 178 ? -13.449 1.602 6.508 1.00 53.64 ? 294 ILE G O 1 ATOM 1379 C CB . ILE A 1 178 ? -12.047 1.179 3.808 1.00 51.48 ? 294 ILE G CB 1 ATOM 1380 C CG1 . ILE A 1 178 ? -11.104 2.373 3.969 1.00 50.43 ? 294 ILE G CG1 1 ATOM 1381 C CG2 . ILE A 1 178 ? -13.468 1.623 3.465 1.00 49.80 ? 294 ILE G CG2 1 ATOM 1382 C CD1 . ILE A 1 178 ? -10.908 3.168 2.687 1.00 52.39 ? 294 ILE G CD1 1 ATOM 1383 N N . ASN A 1 179 ? -11.375 1.155 7.243 1.00 53.68 ? 295 ASN G N 1 ATOM 1384 C CA . ASN A 1 179 ? -11.591 1.758 8.553 1.00 48.98 ? 295 ASN G CA 1 ATOM 1385 C C . ASN A 1 179 ? -10.845 3.079 8.680 1.00 51.59 ? 295 ASN G C 1 ATOM 1386 O O . ASN A 1 179 ? -9.642 3.103 8.939 1.00 57.22 ? 295 ASN G O 1 ATOM 1387 C CB . ASN A 1 179 ? -11.163 0.781 9.650 1.00 50.63 ? 295 ASN G CB 1 ATOM 1388 C CG . ASN A 1 179 ? -11.309 1.357 11.049 1.00 64.67 ? 295 ASN G CG 1 ATOM 1389 O OD1 . ASN A 1 179 ? -12.050 2.315 11.274 1.00 58.96 ? 295 ASN G OD1 1 ATOM 1390 N ND2 . ASN A 1 179 ? -10.599 0.761 12.001 1.00 76.92 ? 295 ASN G ND2 1 ATOM 1391 N N . CYS A 1 180 ? -11.574 4.177 8.494 1.00 46.65 ? 296 CYS G N 1 ATOM 1392 C CA . CYS A 1 180 ? -10.978 5.510 8.462 1.00 53.16 ? 296 CYS G CA 1 ATOM 1393 C C . CYS A 1 180 ? -11.170 6.240 9.779 1.00 51.89 ? 296 CYS G C 1 ATOM 1394 O O . CYS A 1 180 ? -12.256 6.211 10.359 1.00 54.43 ? 296 CYS G O 1 ATOM 1395 C CB . CYS A 1 180 ? -11.575 6.328 7.317 1.00 43.08 ? 296 CYS G CB 1 ATOM 1396 S SG . CYS A 1 180 ? -11.503 5.473 5.733 1.00 64.09 ? 296 CYS G SG 1 ATOM 1397 N N . THR A 1 181 ? -10.117 6.907 10.241 1.00 54.23 ? 297 THR G N 1 ATOM 1398 C CA . THR A 1 181 ? -10.129 7.506 11.568 1.00 59.42 ? 297 THR G CA 1 ATOM 1399 C C . THR A 1 181 ? -9.344 8.815 11.661 1.00 64.88 ? 297 THR G C 1 ATOM 1400 O O . THR A 1 181 ? -8.216 8.916 11.177 1.00 63.31 ? 297 THR G O 1 ATOM 1401 C CB . THR A 1 181 ? -9.561 6.523 12.611 1.00 64.42 ? 297 THR G CB 1 ATOM 1402 O OG1 . THR A 1 181 ? -10.221 5.257 12.483 1.00 66.30 ? 297 THR G OG1 1 ATOM 1403 C CG2 . THR A 1 181 ? -9.755 7.057 14.025 1.00 61.25 ? 297 THR G CG2 1 ATOM 1404 N N . ARG A 1 182 ? -9.966 9.814 12.280 1.00 64.34 ? 298 ARG G N 1 ATOM 1405 C CA . ARG A 1 182 ? -9.281 11.029 12.702 1.00 65.89 ? 298 ARG G CA 1 ATOM 1406 C C . ARG A 1 182 ? -9.219 11.006 14.225 1.00 65.86 ? 298 ARG G C 1 ATOM 1407 O O . ARG A 1 182 ? -10.242 11.178 14.888 1.00 69.66 ? 298 ARG G O 1 ATOM 1408 C CB . ARG A 1 182 ? -10.011 12.281 12.200 1.00 61.21 ? 298 ARG G CB 1 ATOM 1409 C CG . ARG A 1 182 ? -9.152 13.543 12.068 1.00 62.17 ? 298 ARG G CG 1 ATOM 1410 C CD . ARG A 1 182 ? -8.634 14.062 13.404 1.00 70.35 ? 298 ARG G CD 1 ATOM 1411 N NE . ARG A 1 182 ? -9.685 14.136 14.416 1.00 75.37 ? 298 ARG G NE 1 ATOM 1412 C CZ . ARG A 1 182 ? -10.377 15.235 14.700 1.00 78.52 ? 298 ARG G CZ 1 ATOM 1413 N NH1 . ARG A 1 182 ? -10.133 16.364 14.050 1.00 82.53 ? 298 ARG G NH1 1 ATOM 1414 N NH2 . ARG A 1 182 ? -11.315 15.205 15.638 1.00 76.89 ? 298 ARG G NH2 1 ATOM 1415 N N . PRO A 1 183 ? -8.017 10.792 14.784 1.00 70.45 ? 299 PRO G N 1 ATOM 1416 C CA . PRO A 1 183 ? -7.821 10.630 16.231 1.00 69.63 ? 299 PRO G CA 1 ATOM 1417 C C . PRO A 1 183 ? -8.053 11.912 17.031 1.00 70.02 ? 299 PRO G C 1 ATOM 1418 O O . PRO A 1 183 ? -8.142 12.997 16.459 1.00 76.97 ? 299 PRO G O 1 ATOM 1419 C CB . PRO A 1 183 ? -6.350 10.198 16.344 1.00 66.18 ? 299 PRO G CB 1 ATOM 1420 C CG . PRO A 1 183 ? -5.935 9.806 14.966 1.00 71.25 ? 299 PRO G CG 1 ATOM 1421 C CD . PRO A 1 183 ? -6.756 10.643 14.042 1.00 68.37 ? 299 PRO G CD 1 ATOM 1422 N N . SER A 1 184 ? -8.146 11.778 18.349 1.00 88.54 ? 300 SER G N 1 ATOM 1423 C CA . SER A 1 184 ? -8.252 12.938 19.226 1.00 93.89 ? 300 SER G CA 1 ATOM 1424 C C . SER A 1 184 ? -6.880 13.301 19.785 1.00 108.83 ? 300 SER G C 1 ATOM 1425 O O . SER A 1 184 ? -6.122 12.423 20.204 1.00 111.39 ? 300 SER G O 1 ATOM 1426 C CB . SER A 1 184 ? -9.241 12.669 20.360 1.00 92.45 ? 300 SER G CB 1 ATOM 1427 O OG . SER A 1 184 ? -8.911 11.477 21.051 1.00 98.18 ? 300 SER G OG 1 ATOM 1428 N N . ASN A 1 185 ? -6.572 14.598 19.783 1.00 118.04 ? 301 ASN G N 1 ATOM 1429 C CA . ASN A 1 185 ? -5.276 15.112 20.231 1.00 120.56 ? 301 ASN G CA 1 ATOM 1430 C C . ASN A 1 185 ? -4.102 14.465 19.501 1.00 122.52 ? 301 ASN G C 1 ATOM 1431 O O . ASN A 1 185 ? -3.495 15.073 18.619 1.00 118.70 ? 301 ASN G O 1 ATOM 1432 C CB . ASN A 1 185 ? -5.114 14.925 21.742 1.00 115.34 ? 301 ASN G CB 1 ATOM 1433 C CG . ASN A 1 185 ? -6.054 15.804 22.541 1.00 116.64 ? 301 ASN G CG 1 ATOM 1434 O OD1 . ASN A 1 185 ? -6.541 16.820 22.046 1.00 118.87 ? 301 ASN G OD1 1 ATOM 1435 N ND2 . ASN A 1 185 ? -6.308 15.421 23.787 1.00 115.65 ? 301 ASN G ND2 1 ATOM 1436 N N . ASP A 1 193 ? -1.829 18.283 14.264 1.00 89.86 ? 325 ASP G N 1 ATOM 1437 C CA . ASP A 1 193 ? -2.656 18.650 13.120 1.00 81.24 ? 325 ASP G CA 1 ATOM 1438 C C . ASP A 1 193 ? -4.024 17.974 13.201 1.00 82.38 ? 325 ASP G C 1 ATOM 1439 O O . ASP A 1 193 ? -4.138 16.757 13.039 1.00 82.47 ? 325 ASP G O 1 ATOM 1440 C CB . ASP A 1 193 ? -1.953 18.277 11.812 1.00 87.61 ? 325 ASP G CB 1 ATOM 1441 C CG . ASP A 1 193 ? -2.547 18.980 10.604 1.00 91.77 ? 325 ASP G CG 1 ATOM 1442 O OD1 . ASP A 1 193 ? -3.683 19.492 10.701 1.00 88.42 ? 325 ASP G OD1 1 ATOM 1443 O OD2 . ASP A 1 193 ? -1.876 19.018 9.551 1.00 99.00 ? 325 ASP G OD2 1 ATOM 1444 N N . ILE A 1 194 ? -5.062 18.770 13.442 1.00 81.28 ? 326 ILE G N 1 ATOM 1445 C CA . ILE A 1 194 ? -6.410 18.236 13.601 1.00 73.40 ? 326 ILE G CA 1 ATOM 1446 C C . ILE A 1 194 ? -7.008 17.780 12.271 1.00 68.83 ? 326 ILE G C 1 ATOM 1447 O O . ILE A 1 194 ? -8.003 17.057 12.249 1.00 69.52 ? 326 ILE G O 1 ATOM 1448 C CB . ILE A 1 194 ? -7.357 19.273 14.239 1.00 71.10 ? 326 ILE G CB 1 ATOM 1449 C CG1 . ILE A 1 194 ? -7.687 20.387 13.243 1.00 75.26 ? 326 ILE G CG1 1 ATOM 1450 C CG2 . ILE A 1 194 ? -6.746 19.843 15.515 1.00 76.84 ? 326 ILE G CG2 1 ATOM 1451 C CD1 . ILE A 1 194 ? -8.641 21.426 13.789 1.00 77.99 ? 326 ILE G CD1 1 ATOM 1452 N N . ARG A 1 195 ? -6.402 18.202 11.167 1.00 70.81 ? 327 ARG G N 1 ATOM 1453 C CA . ARG A 1 195 ? -6.929 17.883 9.842 1.00 71.99 ? 327 ARG G CA 1 ATOM 1454 C C . ARG A 1 195 ? -6.399 16.548 9.314 1.00 70.49 ? 327 ARG G C 1 ATOM 1455 O O . ARG A 1 195 ? -6.870 16.045 8.294 1.00 73.96 ? 327 ARG G O 1 ATOM 1456 C CB . ARG A 1 195 ? -6.595 19.005 8.854 1.00 70.62 ? 327 ARG G CB 1 ATOM 1457 C CG . ARG A 1 195 ? -7.219 20.351 9.200 1.00 65.96 ? 327 ARG G CG 1 ATOM 1458 C CD . ARG A 1 195 ? -6.782 21.436 8.222 1.00 73.93 ? 327 ARG G CD 1 ATOM 1459 N NE . ARG A 1 195 ? -5.364 21.765 8.355 1.00 85.83 ? 327 ARG G NE 1 ATOM 1460 C CZ . ARG A 1 195 ? -4.734 22.675 7.617 1.00 87.07 ? 327 ARG G CZ 1 ATOM 1461 N NH1 . ARG A 1 195 ? -5.395 23.350 6.687 1.00 85.05 ? 327 ARG G NH1 1 ATOM 1462 N NH2 . ARG A 1 195 ? -3.442 22.910 7.808 1.00 86.36 ? 327 ARG G NH2 1 ATOM 1463 N N . LYS A 1 196 ? -5.428 15.976 10.019 1.00 78.21 ? 328 LYS G N 1 ATOM 1464 C CA . LYS A 1 196 ? -4.779 14.741 9.585 1.00 79.46 ? 328 LYS G CA 1 ATOM 1465 C C . LYS A 1 196 ? -5.564 13.502 10.016 1.00 69.65 ? 328 LYS G C 1 ATOM 1466 O O . LYS A 1 196 ? -6.079 13.439 11.131 1.00 61.98 ? 328 LYS G O 1 ATOM 1467 C CB . LYS A 1 196 ? -3.351 14.680 10.133 1.00 86.35 ? 328 LYS G CB 1 ATOM 1468 C CG . LYS A 1 196 ? -2.480 13.597 9.519 1.00 92.27 ? 328 LYS G CG 1 ATOM 1469 C CD . LYS A 1 196 ? -1.039 13.720 9.999 1.00 101.56 ? 328 LYS G CD 1 ATOM 1470 C CE . LYS A 1 196 ? -0.134 12.702 9.322 1.00 101.06 ? 328 LYS G CE 1 ATOM 1471 N NZ . LYS A 1 196 ? 1.286 12.843 9.752 1.00 100.43 ? 328 LYS G NZ 1 ATOM 1472 N N . ALA A 1 197 ? -5.653 12.518 9.126 1.00 63.05 ? 329 ALA G N 1 ATOM 1473 C CA . ALA A 1 197 ? -6.386 11.287 9.407 1.00 62.11 ? 329 ALA G CA 1 ATOM 1474 C C . ALA A 1 197 ? -5.786 10.111 8.641 1.00 65.12 ? 329 ALA G C 1 ATOM 1475 O O . ALA A 1 197 ? -4.780 10.266 7.949 1.00 70.81 ? 329 ALA G O 1 ATOM 1476 C CB . ALA A 1 197 ? -7.857 11.454 9.057 1.00 54.50 ? 329 ALA G CB 1 ATOM 1477 N N . TYR A 1 198 ? -6.404 8.939 8.765 1.00 55.98 ? 330 TYR G N 1 ATOM 1478 C CA . TYR A 1 198 ? -5.910 7.745 8.083 1.00 58.90 ? 330 TYR G CA 1 ATOM 1479 C C . TYR A 1 198 ? -6.960 6.641 7.974 1.00 63.99 ? 330 TYR G C 1 ATOM 1480 O O . TYR A 1 198 ? -7.845 6.522 8.823 1.00 69.83 ? 330 TYR G O 1 ATOM 1481 C CB . TYR A 1 198 ? -4.667 7.200 8.796 1.00 64.66 ? 330 TYR G CB 1 ATOM 1482 C CG . TYR A 1 198 ? -4.878 6.887 10.261 1.00 65.89 ? 330 TYR G CG 1 ATOM 1483 C CD1 . TYR A 1 198 ? -5.373 5.652 10.665 1.00 73.40 ? 330 TYR G CD1 1 ATOM 1484 C CD2 . TYR A 1 198 ? -4.574 7.822 11.240 1.00 66.02 ? 330 TYR G CD2 1 ATOM 1485 C CE1 . TYR A 1 198 ? -5.565 5.362 12.003 1.00 76.19 ? 330 TYR G CE1 1 ATOM 1486 C CE2 . TYR A 1 198 ? -4.763 7.540 12.580 1.00 72.18 ? 330 TYR G CE2 1 ATOM 1487 C CZ . TYR A 1 198 ? -5.258 6.309 12.955 1.00 73.79 ? 330 TYR G CZ 1 ATOM 1488 O OH . TYR A 1 198 ? -5.448 6.024 14.286 1.00 79.42 ? 330 TYR G OH 1 ATOM 1489 N N . CYS A 1 199 ? -6.843 5.834 6.922 1.00 57.34 ? 331 CYS G N 1 ATOM 1490 C CA . CYS A 1 199 ? -7.703 4.670 6.724 1.00 55.55 ? 331 CYS G CA 1 ATOM 1491 C C . CYS A 1 199 ? -6.902 3.377 6.816 1.00 65.84 ? 331 CYS G C 1 ATOM 1492 O O . CYS A 1 199 ? -5.773 3.299 6.330 1.00 67.30 ? 331 CYS G O 1 ATOM 1493 C CB . CYS A 1 199 ? -8.413 4.739 5.371 1.00 51.62 ? 331 CYS G CB 1 ATOM 1494 S SG . CYS A 1 199 ? -9.624 6.065 5.232 1.00 61.21 ? 331 CYS G SG 1 ATOM 1495 N N . GLU A 1 200 ? -7.495 2.361 7.434 1.00 60.85 ? 332 GLU G N 1 ATOM 1496 C CA . GLU A 1 200 ? -6.831 1.073 7.585 1.00 53.96 ? 332 GLU G CA 1 ATOM 1497 C C . GLU A 1 200 ? -7.534 -0.018 6.792 1.00 58.97 ? 332 GLU G C 1 ATOM 1498 O O . GLU A 1 200 ? -8.757 -0.157 6.850 1.00 57.73 ? 332 GLU G O 1 ATOM 1499 C CB . GLU A 1 200 ? -6.755 0.680 9.059 1.00 54.98 ? 332 GLU G CB 1 ATOM 1500 C CG . GLU A 1 200 ? -5.831 1.560 9.874 1.00 58.87 ? 332 GLU G CG 1 ATOM 1501 C CD . GLU A 1 200 ? -5.754 1.128 11.321 1.00 66.17 ? 332 GLU G CD 1 ATOM 1502 O OE1 . GLU A 1 200 ? -6.793 0.704 11.870 1.00 71.89 ? 332 GLU G OE1 1 ATOM 1503 O OE2 . GLU A 1 200 ? -4.653 1.206 11.904 1.00 69.24 ? 332 GLU G OE2 1 ATOM 1504 N N . ILE A 1 201 ? -6.750 -0.786 6.043 1.00 57.17 ? 333 ILE G N 1 ATOM 1505 C CA . ILE A 1 201 ? -7.277 -1.882 5.243 1.00 56.98 ? 333 ILE G CA 1 ATOM 1506 C C . ILE A 1 201 ? -6.393 -3.113 5.402 1.00 66.24 ? 333 ILE G C 1 ATOM 1507 O O . ILE A 1 201 ? -5.167 -3.019 5.346 1.00 75.39 ? 333 ILE G O 1 ATOM 1508 C CB . ILE A 1 201 ? -7.373 -1.509 3.741 1.00 57.92 ? 333 ILE G CB 1 ATOM 1509 C CG1 . ILE A 1 201 ? -8.301 -0.312 3.530 1.00 60.14 ? 333 ILE G CG1 1 ATOM 1510 C CG2 . ILE A 1 201 ? -7.864 -2.691 2.918 1.00 47.34 ? 333 ILE G CG2 1 ATOM 1511 C CD1 . ILE A 1 201 ? -7.587 1.021 3.481 1.00 69.20 ? 333 ILE G CD1 1 ATOM 1512 N N . ASN A 1 202 ? -7.022 -4.262 5.619 1.00 60.65 ? 334 ASN G N 1 ATOM 1513 C CA . ASN A 1 202 ? -6.313 -5.534 5.661 1.00 63.07 ? 334 ASN G CA 1 ATOM 1514 C C . ASN A 1 202 ? -5.781 -5.886 4.271 1.00 57.39 ? 334 ASN G C 1 ATOM 1515 O O . ASN A 1 202 ? -6.548 -6.229 3.373 1.00 64.83 ? 334 ASN G O 1 ATOM 1516 C CB . ASN A 1 202 ? -7.246 -6.628 6.195 1.00 70.23 ? 334 ASN G CB 1 ATOM 1517 C CG . ASN A 1 202 ? -6.574 -7.990 6.325 1.00 87.83 ? 334 ASN G CG 1 ATOM 1518 O OD1 . ASN A 1 202 ? -5.691 -8.353 5.552 1.00 78.69 ? 334 ASN G OD1 1 ATOM 1519 N ND2 . ASN A 1 202 ? -7.008 -8.754 7.315 1.00 118.88 ? 334 ASN G ND2 1 ATOM 1520 N N . GLY A 1 203 ? -4.463 -5.807 4.108 1.00 61.05 ? 335 GLY G N 1 ATOM 1521 C CA . GLY A 1 203 ? -3.825 -6.058 2.827 1.00 61.32 ? 335 GLY G CA 1 ATOM 1522 C C . GLY A 1 203 ? -3.916 -7.495 2.349 1.00 73.69 ? 335 GLY G C 1 ATOM 1523 O O . GLY A 1 203 ? -3.747 -7.770 1.164 1.00 76.35 ? 335 GLY G O 1 ATOM 1524 N N . THR A 1 204 ? -4.174 -8.418 3.269 1.00 74.59 ? 336 THR G N 1 ATOM 1525 C CA . THR A 1 204 ? -4.346 -9.817 2.899 1.00 78.65 ? 336 THR G CA 1 ATOM 1526 C C . THR A 1 204 ? -5.684 -10.006 2.188 1.00 79.79 ? 336 THR G C 1 ATOM 1527 O O . THR A 1 204 ? -5.768 -10.700 1.174 1.00 80.98 ? 336 THR G O 1 ATOM 1528 C CB . THR A 1 204 ? -4.270 -10.745 4.125 1.00 84.21 ? 336 THR G CB 1 ATOM 1529 O OG1 . THR A 1 204 ? -3.046 -10.506 4.832 1.00 74.02 ? 336 THR G OG1 1 ATOM 1530 C CG2 . THR A 1 204 ? -4.331 -12.204 3.698 1.00 89.37 ? 336 THR G CG2 1 ATOM 1531 N N . LYS A 1 205 ? -6.727 -9.376 2.720 1.00 73.78 ? 337 LYS G N 1 ATOM 1532 C CA . LYS A 1 205 ? -8.052 -9.449 2.116 1.00 74.77 ? 337 LYS G CA 1 ATOM 1533 C C . LYS A 1 205 ? -8.108 -8.660 0.814 1.00 74.13 ? 337 LYS G C 1 ATOM 1534 O O . LYS A 1 205 ? -8.640 -9.135 -0.190 1.00 80.82 ? 337 LYS G O 1 ATOM 1535 C CB . LYS A 1 205 ? -9.119 -8.924 3.079 1.00 73.79 ? 337 LYS G CB 1 ATOM 1536 C CG . LYS A 1 205 ? -9.268 -9.723 4.366 1.00 84.73 ? 337 LYS G CG 1 ATOM 1537 C CD . LYS A 1 205 ? -10.533 -9.311 5.109 1.00 85.85 ? 337 LYS G CD 1 ATOM 1538 C CE . LYS A 1 205 ? -10.734 -10.116 6.383 1.00 95.52 ? 337 LYS G CE 1 ATOM 1539 N NZ . LYS A 1 205 ? -9.827 -9.673 7.475 1.00 104.49 ? 337 LYS G NZ 1 ATOM 1540 N N . TRP A 1 206 ? -7.553 -7.453 0.838 1.00 67.25 ? 338 TRP G N 1 ATOM 1541 C CA . TRP A 1 206 ? -7.638 -6.545 -0.299 1.00 64.07 ? 338 TRP G CA 1 ATOM 1542 C C . TRP A 1 206 ? -6.890 -7.060 -1.525 1.00 65.67 ? 338 TRP G C 1 ATOM 1543 O O . TRP A 1 206 ? -7.422 -7.044 -2.635 1.00 63.05 ? 338 TRP G O 1 ATOM 1544 C CB . TRP A 1 206 ? -7.106 -5.164 0.087 1.00 60.28 ? 338 TRP G CB 1 ATOM 1545 C CG . TRP A 1 206 ? -6.983 -4.232 -1.074 1.00 64.53 ? 338 TRP G CG 1 ATOM 1546 C CD1 . TRP A 1 206 ? -5.828 -3.791 -1.653 1.00 69.04 ? 338 TRP G CD1 1 ATOM 1547 C CD2 . TRP A 1 206 ? -8.055 -3.634 -1.813 1.00 62.19 ? 338 TRP G CD2 1 ATOM 1548 N NE1 . TRP A 1 206 ? -6.115 -2.950 -2.701 1.00 61.13 ? 338 TRP G NE1 1 ATOM 1549 C CE2 . TRP A 1 206 ? -7.475 -2.837 -2.820 1.00 56.20 ? 338 TRP G CE2 1 ATOM 1550 C CE3 . TRP A 1 206 ? -9.449 -3.692 -1.718 1.00 60.41 ? 338 TRP G CE3 1 ATOM 1551 C CZ2 . TRP A 1 206 ? -8.239 -2.105 -3.726 1.00 59.34 ? 338 TRP G CZ2 1 ATOM 1552 C CZ3 . TRP A 1 206 ? -10.207 -2.964 -2.619 1.00 63.14 ? 338 TRP G CZ3 1 ATOM 1553 C CH2 . TRP A 1 206 ? -9.600 -2.181 -3.609 1.00 60.74 ? 338 TRP G CH2 1 ATOM 1554 N N . ASN A 1 207 ? -5.658 -7.512 -1.322 1.00 66.26 ? 339 ASN G N 1 ATOM 1555 C CA . ASN A 1 207 ? -4.823 -7.955 -2.433 1.00 70.60 ? 339 ASN G CA 1 ATOM 1556 C C . ASN A 1 207 ? -5.358 -9.211 -3.110 1.00 69.71 ? 339 ASN G C 1 ATOM 1557 O O . ASN A 1 207 ? -5.196 -9.381 -4.319 1.00 70.08 ? 339 ASN G O 1 ATOM 1558 C CB . ASN A 1 207 ? -3.386 -8.185 -1.961 1.00 64.47 ? 339 ASN G CB 1 ATOM 1559 C CG . ASN A 1 207 ? -2.635 -6.885 -1.735 1.00 70.15 ? 339 ASN G CG 1 ATOM 1560 O OD1 . ASN A 1 207 ? -2.766 -5.937 -2.509 1.00 77.18 ? 339 ASN G OD1 1 ATOM 1561 N ND2 . ASN A 1 207 ? -1.846 -6.833 -0.669 1.00 69.21 ? 339 ASN G ND2 1 ATOM 1562 N N . LYS A 1 208 ? -6.000 -10.085 -2.338 1.00 67.44 ? 340 LYS G N 1 ATOM 1563 C CA . LYS A 1 208 ? -6.613 -11.281 -2.907 1.00 67.29 ? 340 LYS G CA 1 ATOM 1564 C C . LYS A 1 208 ? -7.792 -10.899 -3.795 1.00 65.99 ? 340 LYS G C 1 ATOM 1565 O O . LYS A 1 208 ? -7.981 -11.463 -4.874 1.00 69.00 ? 340 LYS G O 1 ATOM 1566 C CB . LYS A 1 208 ? -7.074 -12.241 -1.813 1.00 70.89 ? 340 LYS G CB 1 ATOM 1567 C CG . LYS A 1 208 ? -7.687 -13.518 -2.364 1.00 80.90 ? 340 LYS G CG 1 ATOM 1568 C CD . LYS A 1 208 ? -8.295 -14.378 -1.272 1.00 89.42 ? 340 LYS G CD 1 ATOM 1569 C CE . LYS A 1 208 ? -8.975 -15.601 -1.866 1.00 96.24 ? 340 LYS G CE 1 ATOM 1570 N NZ . LYS A 1 208 ? -9.623 -16.443 -0.824 1.00 103.76 ? 340 LYS G NZ 1 ATOM 1571 N N . VAL A 1 209 ? -8.583 -9.939 -3.329 1.00 60.00 ? 341 VAL G N 1 ATOM 1572 C CA . VAL A 1 209 ? -9.687 -9.403 -4.115 1.00 61.08 ? 341 VAL G CA 1 ATOM 1573 C C . VAL A 1 209 ? -9.159 -8.710 -5.366 1.00 63.99 ? 341 VAL G C 1 ATOM 1574 O O . VAL A 1 209 ? -9.690 -8.889 -6.463 1.00 59.94 ? 341 VAL G O 1 ATOM 1575 C CB . VAL A 1 209 ? -10.536 -8.413 -3.290 1.00 56.60 ? 341 VAL G CB 1 ATOM 1576 C CG1 . VAL A 1 209 ? -11.521 -7.673 -4.181 1.00 58.46 ? 341 VAL G CG1 1 ATOM 1577 C CG2 . VAL A 1 209 ? -11.262 -9.147 -2.178 1.00 58.84 ? 341 VAL G CG2 1 ATOM 1578 N N . LEU A 1 210 ? -8.098 -7.927 -5.193 1.00 63.95 ? 342 LEU G N 1 ATOM 1579 C CA . LEU A 1 210 ? -7.504 -7.183 -6.295 1.00 56.37 ? 342 LEU G CA 1 ATOM 1580 C C . LEU A 1 210 ? -6.927 -8.130 -7.340 1.00 65.19 ? 342 LEU G C 1 ATOM 1581 O O . LEU A 1 210 ? -6.968 -7.850 -8.539 1.00 56.17 ? 342 LEU G O 1 ATOM 1582 C CB . LEU A 1 210 ? -6.417 -6.241 -5.778 1.00 61.04 ? 342 LEU G CB 1 ATOM 1583 C CG . LEU A 1 210 ? -5.979 -5.138 -6.739 1.00 62.05 ? 342 LEU G CG 1 ATOM 1584 C CD1 . LEU A 1 210 ? -7.166 -4.270 -7.103 1.00 57.26 ? 342 LEU G CD1 1 ATOM 1585 C CD2 . LEU A 1 210 ? -4.868 -4.300 -6.129 1.00 71.01 ? 342 LEU G CD2 1 ATOM 1586 N N . LYS A 1 211 ? -6.388 -9.253 -6.875 1.00 65.01 ? 343 LYS G N 1 ATOM 1587 C CA . LYS A 1 211 ? -5.874 -10.286 -7.764 1.00 63.45 ? 343 LYS G CA 1 ATOM 1588 C C . LYS A 1 211 ? -7.008 -10.880 -8.592 1.00 61.01 ? 343 LYS G C 1 ATOM 1589 O O . LYS A 1 211 ? -6.850 -11.135 -9.784 1.00 60.04 ? 343 LYS G O 1 ATOM 1590 C CB . LYS A 1 211 ? -5.166 -11.382 -6.963 1.00 56.87 ? 343 LYS G CB 1 ATOM 1591 C CG . LYS A 1 211 ? -4.647 -12.545 -7.797 1.00 77.52 ? 343 LYS G CG 1 ATOM 1592 C CD . LYS A 1 211 ? -3.494 -12.120 -8.694 1.00 85.78 ? 343 LYS G CD 1 ATOM 1593 C CE . LYS A 1 211 ? -2.853 -13.318 -9.385 1.00 92.61 ? 343 LYS G CE 1 ATOM 1594 N NZ . LYS A 1 211 ? -3.797 -14.024 -10.296 1.00 89.24 ? 343 LYS G NZ 1 ATOM 1595 N N . GLN A 1 212 ? -8.153 -11.095 -7.950 1.00 65.16 ? 344 GLN G N 1 ATOM 1596 C CA . GLN A 1 212 ? -9.332 -11.613 -8.636 1.00 63.23 ? 344 GLN G CA 1 ATOM 1597 C C . GLN A 1 212 ? -9.866 -10.602 -9.650 1.00 59.39 ? 344 GLN G C 1 ATOM 1598 O O . GLN A 1 212 ? -10.386 -10.980 -10.700 1.00 62.82 ? 344 GLN G O 1 ATOM 1599 C CB . GLN A 1 212 ? -10.423 -11.982 -7.627 1.00 53.79 ? 344 GLN G CB 1 ATOM 1600 C CG . GLN A 1 212 ? -10.143 -13.253 -6.838 1.00 64.56 ? 344 GLN G CG 1 ATOM 1601 C CD . GLN A 1 212 ? -11.170 -13.504 -5.749 1.00 66.37 ? 344 GLN G CD 1 ATOM 1602 O OE1 . GLN A 1 212 ? -11.694 -12.567 -5.146 1.00 66.83 ? 344 GLN G OE1 1 ATOM 1603 N NE2 . GLN A 1 212 ? -11.469 -14.772 -5.498 1.00 67.13 ? 344 GLN G NE2 1 ATOM 1604 N N . VAL A 1 213 ? -9.732 -9.319 -9.332 1.00 52.52 ? 345 VAL G N 1 ATOM 1605 C CA . VAL A 1 213 ? -10.165 -8.256 -10.236 1.00 44.66 ? 345 VAL G CA 1 ATOM 1606 C C . VAL A 1 213 ? -9.330 -8.262 -11.516 1.00 47.90 ? 345 VAL G C 1 ATOM 1607 O O . VAL A 1 213 ? -9.866 -8.120 -12.617 1.00 54.86 ? 345 VAL G O 1 ATOM 1608 C CB . VAL A 1 213 ? -10.074 -6.871 -9.565 1.00 44.30 ? 345 VAL G CB 1 ATOM 1609 C CG1 . VAL A 1 213 ? -10.305 -5.759 -10.585 1.00 41.60 ? 345 VAL G CG1 1 ATOM 1610 C CG2 . VAL A 1 213 ? -11.080 -6.769 -8.429 1.00 43.00 ? 345 VAL G CG2 1 ATOM 1611 N N . THR A 1 214 ? -8.021 -8.442 -11.365 1.00 49.87 ? 346 THR G N 1 ATOM 1612 C CA . THR A 1 214 ? -7.118 -8.499 -12.510 1.00 57.54 ? 346 THR G CA 1 ATOM 1613 C C . THR A 1 214 ? -7.426 -9.706 -13.388 1.00 60.40 ? 346 THR G C 1 ATOM 1614 O O . THR A 1 214 ? -7.407 -9.609 -14.614 1.00 60.79 ? 346 THR G O 1 ATOM 1615 C CB . THR A 1 214 ? -5.644 -8.565 -12.072 1.00 59.44 ? 346 THR G CB 1 ATOM 1616 O OG1 . THR A 1 214 ? -5.428 -9.749 -11.298 1.00 78.04 ? 346 THR G OG1 1 ATOM 1617 C CG2 . THR A 1 214 ? -5.276 -7.350 -11.241 1.00 55.76 ? 346 THR G CG2 1 ATOM 1618 N N . GLU A 1 215 ? -7.708 -10.840 -12.754 1.00 57.93 ? 347 GLU G N 1 ATOM 1619 C CA . GLU A 1 215 ? -8.040 -12.063 -13.476 1.00 59.14 ? 347 GLU G CA 1 ATOM 1620 C C . GLU A 1 215 ? -9.339 -11.908 -14.255 1.00 58.75 ? 347 GLU G C 1 ATOM 1621 O O . GLU A 1 215 ? -9.441 -12.341 -15.402 1.00 61.43 ? 347 GLU G O 1 ATOM 1622 C CB . GLU A 1 215 ? -8.143 -13.248 -12.513 1.00 60.23 ? 347 GLU G CB 1 ATOM 1623 C CG . GLU A 1 215 ? -6.822 -13.625 -11.869 1.00 79.38 ? 347 GLU G CG 1 ATOM 1624 C CD . GLU A 1 215 ? -5.730 -13.880 -12.893 1.00 102.26 ? 347 GLU G CD 1 ATOM 1625 O OE1 . GLU A 1 215 ? -5.972 -14.651 -13.846 1.00 108.05 ? 347 GLU G OE1 1 ATOM 1626 O OE2 . GLU A 1 215 ? -4.632 -13.302 -12.749 1.00 110.27 ? 347 GLU G OE2 1 ATOM 1627 N N . LYS A 1 216 ? -10.331 -11.290 -13.622 1.00 52.37 ? 348 LYS G N 1 ATOM 1628 C CA . LYS A 1 216 ? -11.604 -11.024 -14.276 1.00 61.86 ? 348 LYS G CA 1 ATOM 1629 C C . LYS A 1 216 ? -11.404 -10.078 -15.460 1.00 62.10 ? 348 LYS G C 1 ATOM 1630 O O . LYS A 1 216 ? -11.978 -10.276 -16.532 1.00 55.66 ? 348 LYS G O 1 ATOM 1631 C CB . LYS A 1 216 ? -12.605 -10.439 -13.279 1.00 64.18 ? 348 LYS G CB 1 ATOM 1632 C CG . LYS A 1 216 ? -13.941 -10.055 -13.887 1.00 72.03 ? 348 LYS G CG 1 ATOM 1633 C CD . LYS A 1 216 ? -14.674 -11.261 -14.448 1.00 92.49 ? 348 LYS G CD 1 ATOM 1634 C CE . LYS A 1 216 ? -15.946 -10.838 -15.166 1.00 109.46 ? 348 LYS G CE 1 ATOM 1635 N NZ . LYS A 1 216 ? -16.723 -12.005 -15.667 1.00 122.59 ? 348 LYS G NZ 1 ATOM 1636 N N . LEU A 1 217 ? -10.576 -9.058 -15.261 1.00 61.55 ? 349 LEU G N 1 ATOM 1637 C CA . LEU A 1 217 ? -10.269 -8.103 -16.320 1.00 58.74 ? 349 LEU G CA 1 ATOM 1638 C C . LEU A 1 217 ? -9.516 -8.765 -17.469 1.00 47.54 ? 349 LEU G C 1 ATOM 1639 O O . LEU A 1 217 ? -9.676 -8.379 -18.626 1.00 48.47 ? 349 LEU G O 1 ATOM 1640 C CB . LEU A 1 217 ? -9.458 -6.931 -15.763 1.00 50.10 ? 349 LEU G CB 1 ATOM 1641 C CG . LEU A 1 217 ? -10.273 -5.860 -15.040 1.00 52.13 ? 349 LEU G CG 1 ATOM 1642 C CD1 . LEU A 1 217 ? -9.360 -4.852 -14.358 1.00 46.08 ? 349 LEU G CD1 1 ATOM 1643 C CD2 . LEU A 1 217 ? -11.205 -5.165 -16.022 1.00 47.14 ? 349 LEU G CD2 1 ATOM 1644 N N . LYS A 1 218 ? -8.700 -9.763 -17.145 1.00 60.57 ? 350 LYS G N 1 ATOM 1645 C CA . LYS A 1 218 ? -7.977 -10.530 -18.157 1.00 61.74 ? 350 LYS G CA 1 ATOM 1646 C C . LYS A 1 218 ? -8.937 -11.203 -19.134 1.00 61.44 ? 350 LYS G C 1 ATOM 1647 O O . LYS A 1 218 ? -8.643 -11.330 -20.324 1.00 60.65 ? 350 LYS G O 1 ATOM 1648 C CB . LYS A 1 218 ? -7.086 -11.583 -17.494 1.00 67.35 ? 350 LYS G CB 1 ATOM 1649 C CG . LYS A 1 218 ? -5.595 -11.298 -17.576 1.00 73.15 ? 350 LYS G CG 1 ATOM 1650 C CD . LYS A 1 218 ? -4.810 -12.282 -16.719 1.00 78.17 ? 350 LYS G CD 1 ATOM 1651 C CE . LYS A 1 218 ? -3.312 -12.154 -16.939 1.00 87.99 ? 350 LYS G CE 1 ATOM 1652 N NZ . LYS A 1 218 ? -2.911 -12.608 -18.300 1.00 97.60 ? 350 LYS G NZ 1 ATOM 1653 N N . GLU A 1 219 ? -10.088 -11.631 -18.622 1.00 56.87 ? 351 GLU G N 1 ATOM 1654 C CA . GLU A 1 219 ? -11.098 -12.291 -19.441 1.00 64.17 ? 351 GLU G CA 1 ATOM 1655 C C . GLU A 1 219 ? -11.726 -11.324 -20.442 1.00 61.56 ? 351 GLU G C 1 ATOM 1656 O O . GLU A 1 219 ? -12.238 -11.740 -21.480 1.00 61.18 ? 351 GLU G O 1 ATOM 1657 C CB . GLU A 1 219 ? -12.186 -12.904 -18.557 1.00 72.63 ? 351 GLU G CB 1 ATOM 1658 C CG . GLU A 1 219 ? -11.675 -13.924 -17.548 1.00 80.12 ? 351 GLU G CG 1 ATOM 1659 C CD . GLU A 1 219 ? -12.766 -14.427 -16.619 1.00 88.47 ? 351 GLU G CD 1 ATOM 1660 O OE1 . GLU A 1 219 ? -13.954 -14.141 -16.881 1.00 83.98 ? 351 GLU G OE1 1 ATOM 1661 O OE2 . GLU A 1 219 ? -12.435 -15.104 -15.623 1.00 98.51 ? 351 GLU G OE2 1 ATOM 1662 N N . HIS A 1 220 ? -11.686 -10.033 -20.123 1.00 60.44 ? 352 HIS G N 1 ATOM 1663 C CA . HIS A 1 220 ? -12.298 -9.015 -20.971 1.00 53.78 ? 352 HIS G CA 1 ATOM 1664 C C . HIS A 1 220 ? -11.307 -8.386 -21.946 1.00 56.55 ? 352 HIS G C 1 ATOM 1665 O O . HIS A 1 220 ? -11.710 -7.783 -22.939 1.00 54.18 ? 352 HIS G O 1 ATOM 1666 C CB . HIS A 1 220 ? -12.935 -7.920 -20.113 1.00 49.25 ? 352 HIS G CB 1 ATOM 1667 C CG . HIS A 1 220 ? -14.220 -8.330 -19.465 1.00 56.02 ? 352 HIS G CG 1 ATOM 1668 N ND1 . HIS A 1 220 ? -15.436 -8.253 -20.110 1.00 57.72 ? 352 HIS G ND1 1 ATOM 1669 C CD2 . HIS A 1 220 ? -14.481 -8.821 -18.230 1.00 62.82 ? 352 HIS G CD2 1 ATOM 1670 C CE1 . HIS A 1 220 ? -16.389 -8.679 -19.301 1.00 68.33 ? 352 HIS G CE1 1 ATOM 1671 N NE2 . HIS A 1 220 ? -15.836 -9.029 -18.154 1.00 67.53 ? 352 HIS G NE2 1 ATOM 1672 N N . PHE A 1 221 ? -10.015 -8.525 -21.667 1.00 55.26 ? 353 PHE G N 1 ATOM 1673 C CA . PHE A 1 221 ? -9.000 -7.902 -22.508 1.00 46.95 ? 353 PHE G CA 1 ATOM 1674 C C . PHE A 1 221 ? -7.965 -8.897 -23.028 1.00 59.70 ? 353 PHE G C 1 ATOM 1675 O O . PHE A 1 221 ? -6.761 -8.670 -22.902 1.00 67.20 ? 353 PHE G O 1 ATOM 1676 C CB . PHE A 1 221 ? -8.304 -6.773 -21.743 1.00 49.08 ? 353 PHE G CB 1 ATOM 1677 C CG . PHE A 1 221 ? -9.194 -5.592 -21.463 1.00 47.83 ? 353 PHE G CG 1 ATOM 1678 C CD1 . PHE A 1 221 ? -9.385 -4.610 -22.422 1.00 44.25 ? 353 PHE G CD1 1 ATOM 1679 C CD2 . PHE A 1 221 ? -9.841 -5.464 -20.242 1.00 49.10 ? 353 PHE G CD2 1 ATOM 1680 C CE1 . PHE A 1 221 ? -10.204 -3.521 -22.172 1.00 43.81 ? 353 PHE G CE1 1 ATOM 1681 C CE2 . PHE A 1 221 ? -10.661 -4.376 -19.984 1.00 48.50 ? 353 PHE G CE2 1 ATOM 1682 C CZ . PHE A 1 221 ? -10.842 -3.402 -20.950 1.00 44.24 ? 353 PHE G CZ 1 ATOM 1683 N N . ASN A 1 222 ? -8.450 -9.993 -23.609 1.00 70.50 ? 354 ASN G N 1 ATOM 1684 C CA . ASN A 1 222 ? -7.617 -10.947 -24.347 1.00 74.16 ? 354 ASN G CA 1 ATOM 1685 C C . ASN A 1 222 ? -6.347 -11.407 -23.632 1.00 73.93 ? 354 ASN G C 1 ATOM 1686 O O . ASN A 1 222 ? -5.290 -11.523 -24.256 1.00 69.37 ? 354 ASN G O 1 ATOM 1687 C CB . ASN A 1 222 ? -7.232 -10.350 -25.703 1.00 79.73 ? 354 ASN G CB 1 ATOM 1688 C CG . ASN A 1 222 ? -8.374 -10.382 -26.700 1.00 82.40 ? 354 ASN G CG 1 ATOM 1689 O OD1 . ASN A 1 222 ? -8.490 -11.313 -27.499 1.00 84.87 ? 354 ASN G OD1 1 ATOM 1690 N ND2 . ASN A 1 222 ? -9.224 -9.362 -26.661 1.00 74.19 ? 354 ASN G ND2 1 ATOM 1691 N N . ASN A 1 223 ? -6.461 -11.658 -22.329 1.00 72.62 ? 355 ASN G N 1 ATOM 1692 C CA . ASN A 1 223 ? -5.358 -12.175 -21.513 1.00 77.04 ? 355 ASN G CA 1 ATOM 1693 C C . ASN A 1 223 ? -4.126 -11.269 -21.464 1.00 74.14 ? 355 ASN G C 1 ATOM 1694 O O . ASN A 1 223 ? -3.025 -11.731 -21.162 1.00 83.44 ? 355 ASN G O 1 ATOM 1695 C CB . ASN A 1 223 ? -4.940 -13.570 -22.001 1.00 74.03 ? 355 ASN G CB 1 ATOM 1696 C CG . ASN A 1 223 ? -5.899 -14.658 -21.553 1.00 76.64 ? 355 ASN G CG 1 ATOM 1697 O OD1 . ASN A 1 223 ? -6.649 -14.482 -20.593 1.00 82.42 ? 355 ASN G OD1 1 ATOM 1698 N ND2 . ASN A 1 223 ? -5.872 -15.792 -22.241 1.00 77.54 ? 355 ASN G ND2 1 ATOM 1699 N N . LYS A 1 224 ? -4.312 -9.985 -21.758 1.00 64.71 ? 357 LYS G N 1 ATOM 1700 C CA . LYS A 1 224 ? -3.237 -9.008 -21.615 1.00 61.40 ? 357 LYS G CA 1 ATOM 1701 C C . LYS A 1 224 ? -2.828 -8.863 -20.150 1.00 64.72 ? 357 LYS G C 1 ATOM 1702 O O . LYS A 1 224 ? -3.623 -9.134 -19.248 1.00 60.90 ? 357 LYS G O 1 ATOM 1703 C CB . LYS A 1 224 ? -3.662 -7.642 -22.163 1.00 59.29 ? 357 LYS G CB 1 ATOM 1704 C CG . LYS A 1 224 ? -3.714 -7.530 -23.678 1.00 68.66 ? 357 LYS G CG 1 ATOM 1705 C CD . LYS A 1 224 ? -4.014 -6.089 -24.077 1.00 68.53 ? 357 LYS G CD 1 ATOM 1706 C CE . LYS A 1 224 ? -3.987 -5.880 -25.581 1.00 75.91 ? 357 LYS G CE 1 ATOM 1707 N NZ . LYS A 1 224 ? -4.267 -4.453 -25.919 1.00 65.55 ? 357 LYS G NZ 1 ATOM 1708 N N . THR A 1 225 ? -1.591 -8.436 -19.915 1.00 63.41 ? 358 THR G N 1 ATOM 1709 C CA . THR A 1 225 ? -1.151 -8.115 -18.562 1.00 68.97 ? 358 THR G CA 1 ATOM 1710 C C . THR A 1 225 ? -1.948 -6.925 -18.032 1.00 59.47 ? 358 THR G C 1 ATOM 1711 O O . THR A 1 225 ? -2.064 -5.901 -18.705 1.00 51.51 ? 358 THR G O 1 ATOM 1712 C CB . THR A 1 225 ? 0.354 -7.789 -18.512 1.00 75.34 ? 358 THR G CB 1 ATOM 1713 O OG1 . THR A 1 225 ? 1.106 -8.896 -19.024 1.00 77.83 ? 358 THR G OG1 1 ATOM 1714 C CG2 . THR A 1 225 ? 0.792 -7.498 -17.081 1.00 73.20 ? 358 THR G CG2 1 ATOM 1715 N N . ILE A 1 226 ? -2.511 -7.066 -16.837 1.00 48.68 ? 359 ILE G N 1 ATOM 1716 C CA . ILE A 1 226 ? -3.296 -5.989 -16.241 1.00 57.21 ? 359 ILE G CA 1 ATOM 1717 C C . ILE A 1 226 ? -2.472 -5.198 -15.226 1.00 60.99 ? 359 ILE G C 1 ATOM 1718 O O . ILE A 1 226 ? -1.958 -5.756 -14.256 1.00 60.40 ? 359 ILE G O 1 ATOM 1719 C CB . ILE A 1 226 ? -4.566 -6.523 -15.555 1.00 51.50 ? 359 ILE G CB 1 ATOM 1720 C CG1 . ILE A 1 226 ? -5.346 -7.430 -16.510 1.00 55.11 ? 359 ILE G CG1 1 ATOM 1721 C CG2 . ILE A 1 226 ? -5.433 -5.371 -15.083 1.00 43.70 ? 359 ILE G CG2 1 ATOM 1722 C CD1 . ILE A 1 226 ? -5.745 -6.759 -17.810 1.00 48.09 ? 359 ILE G CD1 1 ATOM 1723 N N . ILE A 1 227 ? -2.359 -3.895 -15.458 1.00 53.52 ? 360 ILE G N 1 ATOM 1724 C CA . ILE A 1 227 ? -1.529 -3.028 -14.630 1.00 55.03 ? 360 ILE G CA 1 ATOM 1725 C C . ILE A 1 227 ? -2.336 -1.876 -14.041 1.00 55.79 ? 360 ILE G C 1 ATOM 1726 O O . ILE A 1 227 ? -3.117 -1.236 -14.743 1.00 49.64 ? 360 ILE G O 1 ATOM 1727 C CB . ILE A 1 227 ? -0.350 -2.452 -15.443 1.00 59.33 ? 360 ILE G CB 1 ATOM 1728 C CG1 . ILE A 1 227 ? 0.513 -3.585 -16.005 1.00 64.57 ? 360 ILE G CG1 1 ATOM 1729 C CG2 . ILE A 1 227 ? 0.485 -1.502 -14.595 1.00 54.91 ? 360 ILE G CG2 1 ATOM 1730 C CD1 . ILE A 1 227 ? 1.586 -3.119 -16.968 1.00 62.28 ? 360 ILE G CD1 1 ATOM 1731 N N . PHE A 1 228 ? -2.154 -1.619 -12.749 1.00 47.15 ? 361 PHE G N 1 ATOM 1732 C CA . PHE A 1 228 ? -2.784 -0.470 -12.107 1.00 42.33 ? 361 PHE G CA 1 ATOM 1733 C C . PHE A 1 228 ? -1.781 0.663 -11.918 1.00 46.31 ? 361 PHE G C 1 ATOM 1734 O O . PHE A 1 228 ? -0.600 0.426 -11.665 1.00 48.18 ? 361 PHE G O 1 ATOM 1735 C CB . PHE A 1 228 ? -3.390 -0.858 -10.755 1.00 47.22 ? 361 PHE G CB 1 ATOM 1736 C CG . PHE A 1 228 ? -4.609 -1.728 -10.864 1.00 48.49 ? 361 PHE G CG 1 ATOM 1737 C CD1 . PHE A 1 228 ? -5.851 -1.174 -11.127 1.00 40.93 ? 361 PHE G CD1 1 ATOM 1738 C CD2 . PHE A 1 228 ? -4.516 -3.100 -10.696 1.00 52.46 ? 361 PHE G CD2 1 ATOM 1739 C CE1 . PHE A 1 228 ? -6.977 -1.972 -11.226 1.00 41.34 ? 361 PHE G CE1 1 ATOM 1740 C CE2 . PHE A 1 228 ? -5.638 -3.903 -10.792 1.00 53.11 ? 361 PHE G CE2 1 ATOM 1741 C CZ . PHE A 1 228 ? -6.869 -3.339 -11.059 1.00 50.47 ? 361 PHE G CZ 1 ATOM 1742 N N . GLN A 1 229 ? -2.262 1.893 -12.049 1.00 42.33 ? 362 GLN G N 1 ATOM 1743 C CA . GLN A 1 229 ? -1.444 3.078 -11.823 1.00 50.02 ? 362 GLN G CA 1 ATOM 1744 C C . GLN A 1 229 ? -2.267 4.122 -11.079 1.00 34.83 ? 362 GLN G C 1 ATOM 1745 O O . GLN A 1 229 ? -3.493 4.073 -11.113 1.00 40.32 ? 362 GLN G O 1 ATOM 1746 C CB . GLN A 1 229 ? -0.929 3.641 -13.153 1.00 50.07 ? 362 GLN G CB 1 ATOM 1747 C CG . GLN A 1 229 ? 0.207 2.848 -13.778 1.00 48.74 ? 362 GLN G CG 1 ATOM 1748 C CD . GLN A 1 229 ? 1.490 2.943 -12.977 1.00 61.63 ? 362 GLN G CD 1 ATOM 1749 O OE1 . GLN A 1 229 ? 2.306 3.837 -13.196 1.00 64.66 ? 362 GLN G OE1 1 ATOM 1750 N NE2 . GLN A 1 229 ? 1.674 2.019 -12.041 1.00 65.33 ? 362 GLN G NE2 1 ATOM 1751 N N . PRO A 1 230 ? -1.600 5.068 -10.396 1.00 39.54 ? 363 PRO G N 1 ATOM 1752 C CA . PRO A 1 230 ? -2.337 6.174 -9.773 1.00 39.02 ? 363 PRO G CA 1 ATOM 1753 C C . PRO A 1 230 ? -2.997 7.055 -10.835 1.00 40.48 ? 363 PRO G C 1 ATOM 1754 O O . PRO A 1 230 ? -2.626 6.951 -12.005 1.00 42.54 ? 363 PRO G O 1 ATOM 1755 C CB . PRO A 1 230 ? -1.248 6.947 -9.017 1.00 45.55 ? 363 PRO G CB 1 ATOM 1756 C CG . PRO A 1 230 ? -0.111 5.990 -8.878 1.00 54.15 ? 363 PRO G CG 1 ATOM 1757 C CD . PRO A 1 230 ? -0.159 5.135 -10.104 1.00 43.07 ? 363 PRO G CD 1 ATOM 1758 N N . PRO A 1 231 ? -3.966 7.898 -10.441 1.00 34.62 ? 364 PRO G N 1 ATOM 1759 C CA . PRO A 1 231 ? -4.592 8.832 -11.385 1.00 31.12 ? 364 PRO G CA 1 ATOM 1760 C C . PRO A 1 231 ? -3.567 9.702 -12.107 1.00 34.65 ? 364 PRO G C 1 ATOM 1761 O O . PRO A 1 231 ? -2.543 10.050 -11.521 1.00 39.86 ? 364 PRO G O 1 ATOM 1762 C CB . PRO A 1 231 ? -5.495 9.679 -10.488 1.00 32.02 ? 364 PRO G CB 1 ATOM 1763 C CG . PRO A 1 231 ? -5.844 8.761 -9.354 1.00 31.31 ? 364 PRO G CG 1 ATOM 1764 C CD . PRO A 1 231 ? -4.607 7.942 -9.113 1.00 32.78 ? 364 PRO G CD 1 ATOM 1765 N N . SER A 1 232 ? -3.839 10.034 -13.366 1.00 38.00 ? 365 SER G N 1 ATOM 1766 C CA . SER A 1 232 ? -2.913 10.828 -14.171 1.00 39.49 ? 365 SER G CA 1 ATOM 1767 C C . SER A 1 232 ? -2.998 12.318 -13.851 1.00 31.37 ? 365 SER G C 1 ATOM 1768 O O . SER A 1 232 ? -2.048 13.065 -14.086 1.00 39.21 ? 365 SER G O 1 ATOM 1769 C CB . SER A 1 232 ? -3.173 10.603 -15.663 1.00 34.15 ? 365 SER G CB 1 ATOM 1770 O OG . SER A 1 232 ? -2.655 9.354 -16.089 1.00 42.99 ? 365 SER G OG 1 ATOM 1771 N N . GLY A 1 233 ? -4.137 12.747 -13.319 1.00 30.75 ? 366 GLY G N 1 ATOM 1772 C CA . GLY A 1 233 ? -4.321 14.139 -12.949 1.00 29.23 ? 366 GLY G CA 1 ATOM 1773 C C . GLY A 1 233 ? -5.760 14.456 -12.604 1.00 33.08 ? 366 GLY G C 1 ATOM 1774 O O . GLY A 1 233 ? -6.612 13.569 -12.592 1.00 33.17 ? 366 GLY G O 1 ATOM 1775 N N . GLY A 1 234 ? -6.032 15.727 -12.327 1.00 31.66 ? 367 GLY G N 1 ATOM 1776 C CA . GLY A 1 234 ? -7.369 16.157 -11.962 1.00 32.98 ? 367 GLY G CA 1 ATOM 1777 C C . GLY A 1 234 ? -7.400 16.781 -10.580 1.00 32.30 ? 367 GLY G C 1 ATOM 1778 O O . GLY A 1 234 ? -6.368 16.880 -9.917 1.00 31.07 ? 367 GLY G O 1 ATOM 1779 N N . ASP A 1 235 ? -8.585 17.208 -10.150 1.00 32.81 ? 368 ASP G N 1 ATOM 1780 C CA . ASP A 1 235 ? -8.754 17.806 -8.828 1.00 32.75 ? 368 ASP G CA 1 ATOM 1781 C C . ASP A 1 235 ? -8.594 16.751 -7.735 1.00 41.78 ? 368 ASP G C 1 ATOM 1782 O O . ASP A 1 235 ? -8.723 15.554 -7.999 1.00 35.96 ? 368 ASP G O 1 ATOM 1783 C CB . ASP A 1 235 ? -10.122 18.487 -8.716 1.00 29.78 ? 368 ASP G CB 1 ATOM 1784 C CG . ASP A 1 235 ? -10.301 19.610 -9.725 1.00 41.18 ? 368 ASP G CG 1 ATOM 1785 O OD1 . ASP A 1 235 ? -9.281 20.167 -10.183 1.00 39.06 ? 368 ASP G OD1 1 ATOM 1786 O OD2 . ASP A 1 235 ? -11.460 19.936 -10.060 1.00 40.39 ? 368 ASP G OD2 1 ATOM 1787 N N . LEU A 1 236 ? -8.318 17.197 -6.511 1.00 38.04 ? 369 LEU G N 1 ATOM 1788 C CA . LEU A 1 236 ? -8.073 16.284 -5.395 1.00 38.79 ? 369 LEU G CA 1 ATOM 1789 C C . LEU A 1 236 ? -9.242 15.340 -5.147 1.00 33.00 ? 369 LEU G C 1 ATOM 1790 O O . LEU A 1 236 ? -9.055 14.227 -4.660 1.00 35.07 ? 369 LEU G O 1 ATOM 1791 C CB . LEU A 1 236 ? -7.771 17.061 -4.112 1.00 37.02 ? 369 LEU G CB 1 ATOM 1792 C CG . LEU A 1 236 ? -6.376 17.659 -3.930 1.00 47.32 ? 369 LEU G CG 1 ATOM 1793 C CD1 . LEU A 1 236 ? -6.197 18.130 -2.488 1.00 45.17 ? 369 LEU G CD1 1 ATOM 1794 C CD2 . LEU A 1 236 ? -5.294 16.660 -4.314 1.00 40.75 ? 369 LEU G CD2 1 ATOM 1795 N N . GLU A 1 237 ? -10.446 15.785 -5.492 1.00 35.37 ? 370 GLU G N 1 ATOM 1796 C CA . GLU A 1 237 ? -11.644 14.994 -5.252 1.00 31.75 ? 370 GLU G CA 1 ATOM 1797 C C . GLU A 1 237 ? -11.648 13.683 -6.042 1.00 45.71 ? 370 GLU G C 1 ATOM 1798 O O . GLU A 1 237 ? -12.313 12.729 -5.642 1.00 38.10 ? 370 GLU G O 1 ATOM 1799 C CB . GLU A 1 237 ? -12.899 15.807 -5.584 1.00 33.55 ? 370 GLU G CB 1 ATOM 1800 C CG . GLU A 1 237 ? -13.257 16.877 -4.547 1.00 41.41 ? 370 GLU G CG 1 ATOM 1801 C CD . GLU A 1 237 ? -12.369 18.107 -4.631 1.00 43.65 ? 370 GLU G CD 1 ATOM 1802 O OE1 . GLU A 1 237 ? -11.675 18.272 -5.659 1.00 39.37 ? 370 GLU G OE1 1 ATOM 1803 O OE2 . GLU A 1 237 ? -12.365 18.910 -3.669 1.00 36.18 ? 370 GLU G OE2 1 ATOM 1804 N N . ILE A 1 238 ? -10.909 13.625 -7.150 1.00 35.37 ? 371 ILE G N 1 ATOM 1805 C CA . ILE A 1 238 ? -10.854 12.392 -7.941 1.00 30.70 ? 371 ILE G CA 1 ATOM 1806 C C . ILE A 1 238 ? -9.484 11.696 -7.923 1.00 35.34 ? 371 ILE G C 1 ATOM 1807 O O . ILE A 1 238 ? -9.411 10.479 -8.102 1.00 32.91 ? 371 ILE G O 1 ATOM 1808 C CB . ILE A 1 238 ? -11.259 12.639 -9.414 1.00 36.00 ? 371 ILE G CB 1 ATOM 1809 C CG1 . ILE A 1 238 ? -10.255 13.548 -10.115 1.00 34.37 ? 371 ILE G CG1 1 ATOM 1810 C CG2 . ILE A 1 238 ? -12.666 13.220 -9.502 1.00 34.05 ? 371 ILE G CG2 1 ATOM 1811 C CD1 . ILE A 1 238 ? -10.564 13.748 -11.580 1.00 34.28 ? 371 ILE G CD1 1 ATOM 1812 N N . THR A 1 239 ? -8.404 12.445 -7.701 1.00 34.01 ? 372 THR G N 1 ATOM 1813 C CA . THR A 1 239 ? -7.075 11.831 -7.637 1.00 31.21 ? 372 THR G CA 1 ATOM 1814 C C . THR A 1 239 ? -6.864 11.164 -6.279 1.00 40.30 ? 372 THR G C 1 ATOM 1815 O O . THR A 1 239 ? -5.899 10.426 -6.074 1.00 39.45 ? 372 THR G O 1 ATOM 1816 C CB . THR A 1 239 ? -5.945 12.849 -7.877 1.00 31.36 ? 372 THR G CB 1 ATOM 1817 O OG1 . THR A 1 239 ? -5.959 13.837 -6.841 1.00 36.59 ? 372 THR G OG1 1 ATOM 1818 C CG2 . THR A 1 239 ? -6.100 13.525 -9.235 1.00 33.38 ? 372 THR G CG2 1 ATOM 1819 N N . MET A 1 240 ? -7.772 11.436 -5.350 1.00 35.12 ? 373 MET G N 1 ATOM 1820 C CA . MET A 1 240 ? -7.764 10.771 -4.056 1.00 38.27 ? 373 MET G CA 1 ATOM 1821 C C . MET A 1 240 ? -9.133 10.166 -3.784 1.00 36.47 ? 373 MET G C 1 ATOM 1822 O O . MET A 1 240 ? -10.121 10.552 -4.412 1.00 36.76 ? 373 MET G O 1 ATOM 1823 C CB . MET A 1 240 ? -7.373 11.752 -2.948 1.00 48.79 ? 373 MET G CB 1 ATOM 1824 C CG . MET A 1 240 ? -5.991 12.358 -3.138 1.00 58.24 ? 373 MET G CG 1 ATOM 1825 S SD . MET A 1 240 ? -5.540 13.545 -1.862 1.00 68.87 ? 373 MET G SD 1 ATOM 1826 C CE . MET A 1 240 ? -5.382 12.473 -0.437 1.00 88.15 ? 373 MET G CE 1 ATOM 1827 N N . HIS A 1 241 ? -9.185 9.205 -2.866 1.00 41.64 ? 374 HIS G N 1 ATOM 1828 C CA . HIS A 1 241 ? -10.452 8.650 -2.409 1.00 37.05 ? 374 HIS G CA 1 ATOM 1829 C C . HIS A 1 241 ? -11.196 9.703 -1.598 1.00 37.77 ? 374 HIS G C 1 ATOM 1830 O O . HIS A 1 241 ? -10.840 9.990 -0.455 1.00 44.57 ? 374 HIS G O 1 ATOM 1831 C CB . HIS A 1 241 ? -10.226 7.387 -1.573 1.00 44.33 ? 374 HIS G CB 1 ATOM 1832 C CG . HIS A 1 241 ? -11.477 6.810 -0.985 1.00 36.09 ? 374 HIS G CG 1 ATOM 1833 N ND1 . HIS A 1 241 ? -12.659 6.716 -1.691 1.00 36.31 ? 374 HIS G ND1 1 ATOM 1834 C CD2 . HIS A 1 241 ? -11.728 6.282 0.236 1.00 40.06 ? 374 HIS G CD2 1 ATOM 1835 C CE1 . HIS A 1 241 ? -13.583 6.163 -0.927 1.00 35.68 ? 374 HIS G CE1 1 ATOM 1836 N NE2 . HIS A 1 241 ? -13.045 5.890 0.248 1.00 40.96 ? 374 HIS G NE2 1 ATOM 1837 N N . HIS A 1 242 ? -12.227 10.280 -2.200 1.00 34.95 ? 375 HIS G N 1 ATOM 1838 C CA . HIS A 1 242 ? -12.967 11.375 -1.585 1.00 36.82 ? 375 HIS G CA 1 ATOM 1839 C C . HIS A 1 242 ? -14.319 10.893 -1.078 1.00 42.51 ? 375 HIS G C 1 ATOM 1840 O O . HIS A 1 242 ? -15.040 10.195 -1.791 1.00 39.70 ? 375 HIS G O 1 ATOM 1841 C CB . HIS A 1 242 ? -13.143 12.515 -2.591 1.00 41.43 ? 375 HIS G CB 1 ATOM 1842 C CG . HIS A 1 242 ? -13.937 13.673 -2.072 1.00 43.34 ? 375 HIS G CG 1 ATOM 1843 N ND1 . HIS A 1 242 ? -13.638 14.311 -0.886 1.00 43.94 ? 375 HIS G ND1 1 ATOM 1844 C CD2 . HIS A 1 242 ? -15.011 14.316 -2.585 1.00 37.47 ? 375 HIS G CD2 1 ATOM 1845 C CE1 . HIS A 1 242 ? -14.499 15.293 -0.689 1.00 48.46 ? 375 HIS G CE1 1 ATOM 1846 N NE2 . HIS A 1 242 ? -15.343 15.319 -1.706 1.00 37.35 ? 375 HIS G NE2 1 ATOM 1847 N N . PHE A 1 243 ? -14.655 11.263 0.155 1.00 39.99 ? 376 PHE G N 1 ATOM 1848 C CA . PHE A 1 243 ? -15.911 10.842 0.769 1.00 41.25 ? 376 PHE G CA 1 ATOM 1849 C C . PHE A 1 243 ? -16.226 11.664 2.015 1.00 40.53 ? 376 PHE G C 1 ATOM 1850 O O . PHE A 1 243 ? -15.361 12.355 2.553 1.00 41.27 ? 376 PHE G O 1 ATOM 1851 C CB . PHE A 1 243 ? -15.867 9.352 1.128 1.00 33.51 ? 376 PHE G CB 1 ATOM 1852 C CG . PHE A 1 243 ? -14.850 9.010 2.180 1.00 37.72 ? 376 PHE G CG 1 ATOM 1853 C CD1 . PHE A 1 243 ? -13.521 8.818 1.842 1.00 39.40 ? 376 PHE G CD1 1 ATOM 1854 C CD2 . PHE A 1 243 ? -15.226 8.874 3.509 1.00 39.19 ? 376 PHE G CD2 1 ATOM 1855 C CE1 . PHE A 1 243 ? -12.583 8.500 2.806 1.00 45.61 ? 376 PHE G CE1 1 ATOM 1856 C CE2 . PHE A 1 243 ? -14.291 8.559 4.481 1.00 44.75 ? 376 PHE G CE2 1 ATOM 1857 C CZ . PHE A 1 243 ? -12.968 8.370 4.129 1.00 48.05 ? 376 PHE G CZ 1 ATOM 1858 N N . ASN A 1 244 ? -17.470 11.579 2.472 1.00 38.87 ? 377 ASN G N 1 ATOM 1859 C CA . ASN A 1 244 ? -17.894 12.301 3.663 1.00 39.75 ? 377 ASN G CA 1 ATOM 1860 C C . ASN A 1 244 ? -18.140 11.359 4.837 1.00 48.01 ? 377 ASN G C 1 ATOM 1861 O O . ASN A 1 244 ? -18.906 10.402 4.726 1.00 46.70 ? 377 ASN G O 1 ATOM 1862 C CB . ASN A 1 244 ? -19.156 13.115 3.373 1.00 38.79 ? 377 ASN G CB 1 ATOM 1863 C CG . ASN A 1 244 ? -19.488 14.088 4.487 1.00 52.79 ? 377 ASN G CG 1 ATOM 1864 O OD1 . ASN A 1 244 ? -20.006 13.698 5.531 1.00 54.90 ? 377 ASN G OD1 1 ATOM 1865 N ND2 . ASN A 1 244 ? -19.194 15.365 4.267 1.00 50.95 ? 377 ASN G ND2 1 ATOM 1866 N N . CYS A 1 245 ? -17.479 11.632 5.957 1.00 46.23 ? 378 CYS G N 1 ATOM 1867 C CA . CYS A 1 245 ? -17.674 10.849 7.173 1.00 49.30 ? 378 CYS G CA 1 ATOM 1868 C C . CYS A 1 245 ? -18.070 11.767 8.323 1.00 49.35 ? 378 CYS G C 1 ATOM 1869 O O . CYS A 1 245 ? -17.311 12.663 8.698 1.00 50.35 ? 378 CYS G O 1 ATOM 1870 C CB . CYS A 1 245 ? -16.408 10.063 7.526 1.00 38.39 ? 378 CYS G CB 1 ATOM 1871 S SG . CYS A 1 245 ? -16.542 9.020 9.010 1.00 58.86 ? 378 CYS G SG 1 ATOM 1872 N N . ARG A 1 246 ? -19.268 11.541 8.860 1.00 53.20 ? 379 ARG G N 1 ATOM 1873 C CA . ARG A 1 246 ? -19.803 12.314 9.981 1.00 62.40 ? 379 ARG G CA 1 ATOM 1874 C C . ARG A 1 246 ? -19.822 13.816 9.700 1.00 57.87 ? 379 ARG G C 1 ATOM 1875 O O . ARG A 1 246 ? -19.621 14.628 10.604 1.00 57.88 ? 379 ARG G O 1 ATOM 1876 C CB . ARG A 1 246 ? -19.002 12.034 11.257 1.00 70.19 ? 379 ARG G CB 1 ATOM 1877 C CG . ARG A 1 246 ? -18.751 10.559 11.527 1.00 75.84 ? 379 ARG G CG 1 ATOM 1878 C CD . ARG A 1 246 ? -20.046 9.772 11.650 1.00 80.14 ? 379 ARG G CD 1 ATOM 1879 N NE . ARG A 1 246 ? -19.795 8.336 11.728 1.00 87.65 ? 379 ARG G NE 1 ATOM 1880 C CZ . ARG A 1 246 ? -20.745 7.412 11.826 1.00 93.43 ? 379 ARG G CZ 1 ATOM 1881 N NH1 . ARG A 1 246 ? -20.418 6.128 11.889 1.00 94.71 ? 379 ARG G NH1 1 ATOM 1882 N NH2 . ARG A 1 246 ? -22.021 7.771 11.862 1.00 95.08 ? 379 ARG G NH2 1 ATOM 1883 N N . GLY A 1 247 ? -20.062 14.181 8.444 1.00 49.64 ? 380 GLY G N 1 ATOM 1884 C CA . GLY A 1 247 ? -20.150 15.580 8.064 1.00 49.75 ? 380 GLY G CA 1 ATOM 1885 C C . GLY A 1 247 ? -18.833 16.161 7.590 1.00 53.93 ? 380 GLY G C 1 ATOM 1886 O O . GLY A 1 247 ? -18.796 17.254 7.024 1.00 58.48 ? 380 GLY G O 1 ATOM 1887 N N . GLU A 1 248 ? -17.748 15.428 7.817 1.00 54.27 ? 381 GLU G N 1 ATOM 1888 C CA . GLU A 1 248 ? -16.416 15.898 7.453 1.00 50.36 ? 381 GLU G CA 1 ATOM 1889 C C . GLU A 1 248 ? -15.988 15.351 6.097 1.00 49.85 ? 381 GLU G C 1 ATOM 1890 O O . GLU A 1 248 ? -16.232 14.186 5.785 1.00 47.97 ? 381 GLU G O 1 ATOM 1891 C CB . GLU A 1 248 ? -15.401 15.498 8.525 1.00 51.48 ? 381 GLU G CB 1 ATOM 1892 C CG . GLU A 1 248 ? -15.800 15.903 9.935 1.00 48.92 ? 381 GLU G CG 1 ATOM 1893 C CD . GLU A 1 248 ? -15.807 17.407 10.134 1.00 57.23 ? 381 GLU G CD 1 ATOM 1894 O OE1 . GLU A 1 248 ? -15.068 18.108 9.410 1.00 62.48 ? 381 GLU G OE1 1 ATOM 1895 O OE2 . GLU A 1 248 ? -16.551 17.890 11.015 1.00 60.85 ? 381 GLU G OE2 1 ATOM 1896 N N . PHE A 1 249 ? -15.346 16.196 5.295 1.00 43.40 ? 382 PHE G N 1 ATOM 1897 C CA . PHE A 1 249 ? -14.899 15.790 3.968 1.00 49.87 ? 382 PHE G CA 1 ATOM 1898 C C . PHE A 1 249 ? -13.493 15.199 4.011 1.00 44.28 ? 382 PHE G C 1 ATOM 1899 O O . PHE A 1 249 ? -12.520 15.888 4.321 1.00 42.87 ? 382 PHE G O 1 ATOM 1900 C CB . PHE A 1 249 ? -14.955 16.975 3.002 1.00 44.10 ? 382 PHE G CB 1 ATOM 1901 C CG . PHE A 1 249 ? -16.347 17.483 2.760 1.00 49.58 ? 382 PHE G CG 1 ATOM 1902 C CD1 . PHE A 1 249 ? -17.123 16.955 1.742 1.00 51.18 ? 382 PHE G CD1 1 ATOM 1903 C CD2 . PHE A 1 249 ? -16.884 18.478 3.560 1.00 55.45 ? 382 PHE G CD2 1 ATOM 1904 C CE1 . PHE A 1 249 ? -18.407 17.416 1.521 1.00 53.19 ? 382 PHE G CE1 1 ATOM 1905 C CE2 . PHE A 1 249 ? -18.167 18.942 3.345 1.00 53.61 ? 382 PHE G CE2 1 ATOM 1906 C CZ . PHE A 1 249 ? -18.929 18.412 2.322 1.00 57.11 ? 382 PHE G CZ 1 ATOM 1907 N N . PHE A 1 250 ? -13.405 13.912 3.695 1.00 42.51 ? 383 PHE G N 1 ATOM 1908 C CA . PHE A 1 250 ? -12.146 13.181 3.737 1.00 43.25 ? 383 PHE G CA 1 ATOM 1909 C C . PHE A 1 250 ? -11.507 13.066 2.360 1.00 45.18 ? 383 PHE G C 1 ATOM 1910 O O . PHE A 1 250 ? -12.194 12.886 1.354 1.00 45.36 ? 383 PHE G O 1 ATOM 1911 C CB . PHE A 1 250 ? -12.362 11.780 4.316 1.00 41.15 ? 383 PHE G CB 1 ATOM 1912 C CG . PHE A 1 250 ? -12.373 11.732 5.817 1.00 54.35 ? 383 PHE G CG 1 ATOM 1913 C CD1 . PHE A 1 250 ? -13.343 12.405 6.542 1.00 56.41 ? 383 PHE G CD1 1 ATOM 1914 C CD2 . PHE A 1 250 ? -11.422 10.994 6.504 1.00 56.49 ? 383 PHE G CD2 1 ATOM 1915 C CE1 . PHE A 1 250 ? -13.353 12.354 7.924 1.00 55.91 ? 383 PHE G CE1 1 ATOM 1916 C CE2 . PHE A 1 250 ? -11.428 10.938 7.882 1.00 55.23 ? 383 PHE G CE2 1 ATOM 1917 C CZ . PHE A 1 250 ? -12.395 11.619 8.593 1.00 56.54 ? 383 PHE G CZ 1 ATOM 1918 N N . TYR A 1 251 ? -10.183 13.173 2.329 1.00 43.12 ? 384 TYR G N 1 ATOM 1919 C CA . TYR A 1 251 ? -9.412 12.934 1.117 1.00 47.05 ? 384 TYR G CA 1 ATOM 1920 C C . TYR A 1 251 ? -8.312 11.935 1.448 1.00 48.49 ? 384 TYR G C 1 ATOM 1921 O O . TYR A 1 251 ? -7.420 12.235 2.239 1.00 44.47 ? 384 TYR G O 1 ATOM 1922 C CB . TYR A 1 251 ? -8.815 14.235 0.573 1.00 42.94 ? 384 TYR G CB 1 ATOM 1923 C CG . TYR A 1 251 ? -9.833 15.242 0.079 1.00 44.00 ? 384 TYR G CG 1 ATOM 1924 C CD1 . TYR A 1 251 ? -10.634 15.950 0.970 1.00 33.40 ? 384 TYR G CD1 1 ATOM 1925 C CD2 . TYR A 1 251 ? -9.977 15.502 -1.278 1.00 38.09 ? 384 TYR G CD2 1 ATOM 1926 C CE1 . TYR A 1 251 ? -11.560 16.873 0.522 1.00 39.15 ? 384 TYR G CE1 1 ATOM 1927 C CE2 . TYR A 1 251 ? -10.898 16.428 -1.736 1.00 39.69 ? 384 TYR G CE2 1 ATOM 1928 C CZ . TYR A 1 251 ? -11.686 17.108 -0.834 1.00 41.23 ? 384 TYR G CZ 1 ATOM 1929 O OH . TYR A 1 251 ? -12.602 18.027 -1.286 1.00 37.64 ? 384 TYR G OH 1 ATOM 1930 N N . CYS A 1 252 ? -8.381 10.747 0.855 1.00 44.13 ? 385 CYS G N 1 ATOM 1931 C CA . CYS A 1 252 ? -7.432 9.685 1.175 1.00 42.95 ? 385 CYS G CA 1 ATOM 1932 C C . CYS A 1 252 ? -6.636 9.213 -0.038 1.00 46.81 ? 385 CYS G C 1 ATOM 1933 O O . CYS A 1 252 ? -7.194 8.906 -1.091 1.00 43.50 ? 385 CYS G O 1 ATOM 1934 C CB . CYS A 1 252 ? -8.161 8.502 1.810 1.00 43.25 ? 385 CYS G CB 1 ATOM 1935 S SG . CYS A 1 252 ? -8.981 8.914 3.362 1.00 57.78 ? 385 CYS G SG 1 ATOM 1936 N N . ASN A 1 253 ? -5.321 9.160 0.136 1.00 44.74 ? 386 ASN G N 1 ATOM 1937 C CA . ASN A 1 253 ? -4.393 8.743 -0.907 1.00 50.49 ? 386 ASN G CA 1 ATOM 1938 C C . ASN A 1 253 ? -4.408 7.226 -1.087 1.00 55.06 ? 386 ASN G C 1 ATOM 1939 O O . ASN A 1 253 ? -4.101 6.479 -0.158 1.00 53.44 ? 386 ASN G O 1 ATOM 1940 C CB . ASN A 1 253 ? -2.990 9.246 -0.552 1.00 49.37 ? 386 ASN G CB 1 ATOM 1941 C CG . ASN A 1 253 ? -1.953 8.967 -1.628 1.00 53.54 ? 386 ASN G CG 1 ATOM 1942 O OD1 . ASN A 1 253 ? -2.026 7.982 -2.366 1.00 47.37 ? 386 ASN G OD1 1 ATOM 1943 N ND2 . ASN A 1 253 ? -0.967 9.845 -1.711 1.00 62.47 ? 386 ASN G ND2 1 ATOM 1944 N N . THR A 1 254 ? -4.743 6.781 -2.295 1.00 44.95 ? 387 THR G N 1 ATOM 1945 C CA . THR A 1 254 ? -4.941 5.361 -2.571 1.00 44.32 ? 387 THR G CA 1 ATOM 1946 C C . THR A 1 254 ? -3.799 4.710 -3.345 1.00 48.50 ? 387 THR G C 1 ATOM 1947 O O . THR A 1 254 ? -3.989 3.661 -3.962 1.00 52.43 ? 387 THR G O 1 ATOM 1948 C CB . THR A 1 254 ? -6.235 5.131 -3.367 1.00 40.29 ? 387 THR G CB 1 ATOM 1949 O OG1 . THR A 1 254 ? -6.245 5.980 -4.522 1.00 42.58 ? 387 THR G OG1 1 ATOM 1950 C CG2 . THR A 1 254 ? -7.438 5.452 -2.511 1.00 38.38 ? 387 THR G CG2 1 ATOM 1951 N N . THR A 1 255 ? -2.620 5.324 -3.310 1.00 40.89 ? 388 THR G N 1 ATOM 1952 C CA . THR A 1 255 ? -1.461 4.787 -4.017 1.00 51.99 ? 388 THR G CA 1 ATOM 1953 C C . THR A 1 255 ? -1.149 3.359 -3.574 1.00 59.53 ? 388 THR G C 1 ATOM 1954 O O . THR A 1 255 ? -0.894 2.483 -4.403 1.00 61.67 ? 388 THR G O 1 ATOM 1955 C CB . THR A 1 255 ? -0.215 5.674 -3.807 1.00 61.06 ? 388 THR G CB 1 ATOM 1956 O OG1 . THR A 1 255 ? -0.384 6.909 -4.512 1.00 61.83 ? 388 THR G OG1 1 ATOM 1957 C CG2 . THR A 1 255 ? 1.035 4.982 -4.324 1.00 65.12 ? 388 THR G CG2 1 ATOM 1958 N N . GLN A 1 256 ? -1.194 3.127 -2.266 1.00 56.12 ? 389 GLN G N 1 ATOM 1959 C CA . GLN A 1 256 ? -0.897 1.814 -1.703 1.00 58.14 ? 389 GLN G CA 1 ATOM 1960 C C . GLN A 1 256 ? -1.970 0.770 -2.018 1.00 61.11 ? 389 GLN G C 1 ATOM 1961 O O . GLN A 1 256 ? -1.696 -0.430 -1.996 1.00 74.20 ? 389 GLN G O 1 ATOM 1962 C CB . GLN A 1 256 ? -0.724 1.914 -0.185 1.00 52.85 ? 389 GLN G CB 1 ATOM 1963 C CG . GLN A 1 256 ? 0.409 2.818 0.267 1.00 52.48 ? 389 GLN G CG 1 ATOM 1964 C CD . GLN A 1 256 ? 0.446 2.983 1.774 1.00 67.22 ? 389 GLN G CD 1 ATOM 1965 O OE1 . GLN A 1 256 ? 1.093 2.208 2.480 1.00 73.55 ? 389 GLN G OE1 1 ATOM 1966 N NE2 . GLN A 1 256 ? -0.258 3.993 2.276 1.00 59.54 ? 389 GLN G NE2 1 ATOM 1967 N N . LEU A 1 257 ? -3.187 1.225 -2.300 1.00 57.81 ? 390 LEU G N 1 ATOM 1968 C CA . LEU A 1 257 ? -4.307 0.310 -2.513 1.00 64.33 ? 390 LEU G CA 1 ATOM 1969 C C . LEU A 1 257 ? -4.181 -0.468 -3.814 1.00 67.25 ? 390 LEU G C 1 ATOM 1970 O O . LEU A 1 257 ? -4.772 -1.536 -3.968 1.00 70.68 ? 390 LEU G O 1 ATOM 1971 C CB . LEU A 1 257 ? -5.635 1.069 -2.502 1.00 60.44 ? 390 LEU G CB 1 ATOM 1972 C CG . LEU A 1 257 ? -6.367 1.112 -1.162 1.00 64.21 ? 390 LEU G CG 1 ATOM 1973 C CD1 . LEU A 1 257 ? -7.773 1.665 -1.342 1.00 60.52 ? 390 LEU G CD1 1 ATOM 1974 C CD2 . LEU A 1 257 ? -6.404 -0.271 -0.524 1.00 69.47 ? 390 LEU G CD2 1 ATOM 1975 N N . PHE A 1 258 ? -3.411 0.071 -4.749 1.00 58.81 ? 391 PHE G N 1 ATOM 1976 C CA . PHE A 1 258 ? -3.256 -0.561 -6.047 1.00 69.25 ? 391 PHE G CA 1 ATOM 1977 C C . PHE A 1 258 ? -1.788 -0.896 -6.282 1.00 77.09 ? 391 PHE G C 1 ATOM 1978 O O . PHE A 1 258 ? -1.118 -0.301 -7.128 1.00 82.94 ? 391 PHE G O 1 ATOM 1979 C CB . PHE A 1 258 ? -3.826 0.346 -7.139 1.00 66.37 ? 391 PHE G CB 1 ATOM 1980 C CG . PHE A 1 258 ? -5.246 0.771 -6.874 1.00 62.76 ? 391 PHE G CG 1 ATOM 1981 C CD1 . PHE A 1 258 ? -6.308 -0.036 -7.254 1.00 53.99 ? 391 PHE G CD1 1 ATOM 1982 C CD2 . PHE A 1 258 ? -5.517 1.959 -6.213 1.00 60.96 ? 391 PHE G CD2 1 ATOM 1983 C CE1 . PHE A 1 258 ? -7.617 0.344 -6.996 1.00 45.04 ? 391 PHE G CE1 1 ATOM 1984 C CE2 . PHE A 1 258 ? -6.822 2.344 -5.950 1.00 56.01 ? 391 PHE G CE2 1 ATOM 1985 C CZ . PHE A 1 258 ? -7.874 1.536 -6.344 1.00 49.36 ? 391 PHE G CZ 1 ATOM 1986 N N . ASN A 1 259 ? -1.308 -1.861 -5.503 1.00 80.30 ? 392 ASN G N 1 ATOM 1987 C CA . ASN A 1 259 ? 0.079 -2.302 -5.539 1.00 85.43 ? 392 ASN G CA 1 ATOM 1988 C C . ASN A 1 259 ? 0.243 -3.517 -6.441 1.00 84.99 ? 392 ASN G C 1 ATOM 1989 O O . ASN A 1 259 ? -0.207 -4.613 -6.103 1.00 92.50 ? 392 ASN G O 1 ATOM 1990 C CB . ASN A 1 259 ? 0.565 -2.633 -4.125 1.00 94.99 ? 392 ASN G CB 1 ATOM 1991 C CG . ASN A 1 259 ? 2.076 -2.612 -4.003 1.00 108.77 ? 392 ASN G CG 1 ATOM 1992 O OD1 . ASN A 1 259 ? 2.794 -2.615 -5.003 1.00 107.84 ? 392 ASN G OD1 1 ATOM 1993 N ND2 . ASN A 1 259 ? 2.566 -2.595 -2.768 1.00 124.34 ? 392 ASN G ND2 1 ATOM 1994 N N . ASN A 1 260 ? 0.887 -3.324 -7.586 1.00 68.73 ? 393 ASN G N 1 ATOM 1995 C CA . ASN A 1 260 ? 1.082 -4.412 -8.535 1.00 75.89 ? 393 ASN G CA 1 ATOM 1996 C C . ASN A 1 260 ? 2.043 -5.470 -7.999 1.00 79.05 ? 393 ASN G C 1 ATOM 1997 O O . ASN A 1 260 ? 1.991 -6.633 -8.401 1.00 77.53 ? 393 ASN G O 1 ATOM 1998 C CB . ASN A 1 260 ? 1.585 -3.866 -9.871 1.00 70.92 ? 393 ASN G CB 1 ATOM 1999 C CG . ASN A 1 260 ? 0.631 -2.858 -10.478 1.00 65.44 ? 393 ASN G CG 1 ATOM 2000 O OD1 . ASN A 1 260 ? -0.328 -3.224 -11.157 1.00 56.31 ? 393 ASN G OD1 1 ATOM 2001 N ND2 . ASN A 1 260 ? 0.884 -1.579 -10.227 1.00 63.45 ? 393 ASN G ND2 1 ATOM 2002 N N . THR A 1 261 ? 2.912 -5.057 -7.082 1.00 79.61 ? 394 THR G N 1 ATOM 2003 C CA . THR A 1 261 ? 3.872 -5.965 -6.467 1.00 83.14 ? 394 THR G CA 1 ATOM 2004 C C . THR A 1 261 ? 3.160 -7.047 -5.660 1.00 81.91 ? 394 THR G C 1 ATOM 2005 O O . THR A 1 261 ? 3.563 -8.211 -5.670 1.00 92.71 ? 394 THR G O 1 ATOM 2006 C CB . THR A 1 261 ? 4.851 -5.204 -5.549 1.00 86.65 ? 394 THR G CB 1 ATOM 2007 O OG1 . THR A 1 261 ? 5.557 -4.218 -6.311 1.00 85.29 ? 394 THR G OG1 1 ATOM 2008 C CG2 . THR A 1 261 ? 5.853 -6.158 -4.915 1.00 98.35 ? 394 THR G CG2 1 ATOM 2009 N N . CYS A 1 262 ? 2.088 -6.658 -4.979 1.00 74.54 ? 395 CYS G N 1 ATOM 2010 C CA . CYS A 1 262 ? 1.379 -7.562 -4.081 1.00 83.94 ? 395 CYS G CA 1 ATOM 2011 C C . CYS A 1 262 ? 0.423 -8.506 -4.808 1.00 90.05 ? 395 CYS G C 1 ATOM 2012 O O . CYS A 1 262 ? -0.012 -9.509 -4.243 1.00 94.55 ? 395 CYS G O 1 ATOM 2013 C CB . CYS A 1 262 ? 0.610 -6.760 -3.029 1.00 82.87 ? 395 CYS G CB 1 ATOM 2014 S SG . CYS A 1 262 ? 1.661 -5.830 -1.890 1.00 126.57 ? 395 CYS G SG 1 ATOM 2015 N N . ILE A 1 263 ? 0.098 -8.188 -6.058 1.00 88.50 ? 396 ILE G N 1 ATOM 2016 C CA . ILE A 1 263 ? -0.826 -9.016 -6.826 1.00 86.53 ? 396 ILE G CA 1 ATOM 2017 C C . ILE A 1 263 ? -0.100 -9.872 -7.863 1.00 89.75 ? 396 ILE G C 1 ATOM 2018 O O . ILE A 1 263 ? -0.619 -10.118 -8.951 1.00 95.47 ? 396 ILE G O 1 ATOM 2019 C CB . ILE A 1 263 ? -1.900 -8.159 -7.531 1.00 83.31 ? 396 ILE G CB 1 ATOM 2020 C CG1 . ILE A 1 263 ? -1.251 -7.089 -8.410 1.00 81.77 ? 396 ILE G CG1 1 ATOM 2021 C CG2 . ILE A 1 263 ? -2.817 -7.509 -6.508 1.00 87.08 ? 396 ILE G CG2 1 ATOM 2022 C CD1 . ILE A 1 263 ? -2.243 -6.142 -9.060 1.00 74.22 ? 396 ILE G CD1 1 ATOM 2023 N N . GLY A 1 264 ? 1.096 -10.337 -7.515 1.00 97.89 ? 397 GLY G N 1 ATOM 2024 C CA . GLY A 1 264 ? 1.868 -11.189 -8.402 1.00 94.25 ? 397 GLY G CA 1 ATOM 2025 C C . GLY A 1 264 ? 3.263 -11.473 -7.881 1.00 97.10 ? 397 GLY G C 1 ATOM 2026 O O . GLY A 1 264 ? 4.171 -11.782 -8.653 1.00 98.50 ? 397 GLY G O 1 ATOM 2027 N N . THR A 1 267 ? 6.471 -12.564 -7.657 1.00 116.29 ? 406 THR G N 1 ATOM 2028 C CA . THR A 1 267 ? 6.991 -12.074 -6.385 1.00 118.43 ? 406 THR G CA 1 ATOM 2029 C C . THR A 1 267 ? 5.883 -11.448 -5.542 1.00 115.48 ? 406 THR G C 1 ATOM 2030 O O . THR A 1 267 ? 5.633 -10.246 -5.624 1.00 108.87 ? 406 THR G O 1 ATOM 2031 C CB . THR A 1 267 ? 8.109 -11.069 -6.623 1.00 116.79 ? 406 THR G CB 1 ATOM 2032 N N . MET A 1 268 ? 5.223 -12.270 -4.732 1.00 118.16 ? 407 MET G N 1 ATOM 2033 C CA . MET A 1 268 ? 4.136 -11.796 -3.882 1.00 112.51 ? 407 MET G CA 1 ATOM 2034 C C . MET A 1 268 ? 4.403 -12.115 -2.413 1.00 114.56 ? 407 MET G C 1 ATOM 2035 O O . MET A 1 268 ? 3.720 -12.948 -1.816 1.00 111.02 ? 407 MET G O 1 ATOM 2036 C CB . MET A 1 268 ? 2.813 -12.403 -4.326 1.00 105.60 ? 407 MET G CB 1 ATOM 2037 N N . LYS A 1 269 ? 5.400 -11.448 -1.840 1.00 118.11 ? 408 LYS G N 1 ATOM 2038 C CA . LYS A 1 269 ? 5.768 -11.649 -0.440 1.00 120.01 ? 408 LYS G CA 1 ATOM 2039 C C . LYS A 1 269 ? 6.184 -10.337 0.225 1.00 118.99 ? 408 LYS G C 1 ATOM 2040 O O . LYS A 1 269 ? 7.008 -9.595 -0.310 1.00 123.43 ? 408 LYS G O 1 ATOM 2041 C CB . LYS A 1 269 ? 6.906 -12.668 -0.322 1.00 118.58 ? 408 LYS G CB 1 ATOM 2042 C CG . LYS A 1 269 ? 6.531 -14.091 -0.707 1.00 113.64 ? 408 LYS G CG 1 ATOM 2043 C CD . LYS A 1 269 ? 7.729 -15.020 -0.603 1.00 114.06 ? 408 LYS G CD 1 ATOM 2044 C CE . LYS A 1 269 ? 7.354 -16.448 -0.958 1.00 114.20 ? 408 LYS G CE 1 ATOM 2045 N NZ . LYS A 1 269 ? 8.522 -17.368 -0.864 1.00 119.29 ? 408 LYS G NZ 1 ATOM 2046 N N . GLY A 1 270 ? 5.614 -10.056 1.393 1.00 110.80 ? 409 GLY G N 1 ATOM 2047 C CA . GLY A 1 270 ? 5.986 -8.875 2.153 1.00 107.12 ? 409 GLY G CA 1 ATOM 2048 C C . GLY A 1 270 ? 4.837 -7.932 2.461 1.00 103.79 ? 409 GLY G C 1 ATOM 2049 O O . GLY A 1 270 ? 4.807 -7.309 3.522 1.00 100.74 ? 409 GLY G O 1 ATOM 2050 N N . CYS A 1 271 ? 3.891 -7.827 1.533 1.00 108.44 ? 410 CYS G N 1 ATOM 2051 C CA . CYS A 1 271 ? 2.760 -6.912 1.681 1.00 103.07 ? 410 CYS G CA 1 ATOM 2052 C C . CYS A 1 271 ? 1.555 -7.588 2.331 1.00 98.08 ? 410 CYS G C 1 ATOM 2053 O O . CYS A 1 271 ? 0.408 -7.203 2.096 1.00 89.31 ? 410 CYS G O 1 ATOM 2054 C CB . CYS A 1 271 ? 2.365 -6.337 0.319 1.00 104.31 ? 410 CYS G CB 1 ATOM 2055 S SG . CYS A 1 271 ? 2.306 -7.551 -1.022 1.00 131.12 ? 410 CYS G SG 1 ATOM 2056 N N . ASN A 1 272 ? 1.827 -8.593 3.155 1.00 101.71 ? 411 ASN G N 1 ATOM 2057 C CA . ASN A 1 272 ? 0.778 -9.360 3.813 1.00 107.57 ? 411 ASN G CA 1 ATOM 2058 C C . ASN A 1 272 ? 0.484 -8.826 5.212 1.00 106.45 ? 411 ASN G C 1 ATOM 2059 O O . ASN A 1 272 ? 0.905 -9.415 6.208 1.00 118.64 ? 411 ASN G O 1 ATOM 2060 C CB . ASN A 1 272 ? 1.180 -10.836 3.886 1.00 118.93 ? 411 ASN G CB 1 ATOM 2061 C CG . ASN A 1 272 ? 0.012 -11.747 4.204 1.00 121.86 ? 411 ASN G CG 1 ATOM 2062 O OD1 . ASN A 1 272 ? -1.130 -11.455 3.852 1.00 123.97 ? 411 ASN G OD1 1 ATOM 2063 N ND2 . ASN A 1 272 ? 0.294 -12.860 4.873 1.00 122.53 ? 411 ASN G ND2 1 ATOM 2064 N N . GLY A 1 273 ? -0.236 -7.709 5.287 1.00 78.33 ? 412 GLY G N 1 ATOM 2065 C CA . GLY A 1 273 ? -0.537 -7.091 6.567 1.00 80.14 ? 412 GLY G CA 1 ATOM 2066 C C . GLY A 1 273 ? -1.592 -6.004 6.493 1.00 85.28 ? 412 GLY G C 1 ATOM 2067 O O . GLY A 1 273 ? -2.528 -6.090 5.701 1.00 87.70 ? 412 GLY G O 1 ATOM 2068 N N . THR A 1 274 ? -1.442 -4.978 7.326 1.00 81.52 ? 413 THR G N 1 ATOM 2069 C CA . THR A 1 274 ? -2.397 -3.875 7.361 1.00 75.44 ? 413 THR G CA 1 ATOM 2070 C C . THR A 1 274 ? -1.917 -2.678 6.543 1.00 73.56 ? 413 THR G C 1 ATOM 2071 O O . THR A 1 274 ? -0.807 -2.182 6.741 1.00 76.38 ? 413 THR G O 1 ATOM 2072 C CB . THR A 1 274 ? -2.672 -3.414 8.805 1.00 73.40 ? 413 THR G CB 1 ATOM 2073 O OG1 . THR A 1 274 ? -3.357 -4.451 9.518 1.00 75.12 ? 413 THR G OG1 1 ATOM 2074 C CG2 . THR A 1 274 ? -3.530 -2.155 8.809 1.00 66.49 ? 413 THR G CG2 1 ATOM 2075 N N . ILE A 1 275 ? -2.763 -2.221 5.626 1.00 64.09 ? 414 ILE G N 1 ATOM 2076 C CA . ILE A 1 275 ? -2.456 -1.059 4.800 1.00 63.04 ? 414 ILE G CA 1 ATOM 2077 C C . ILE A 1 275 ? -3.004 0.213 5.438 1.00 61.13 ? 414 ILE G C 1 ATOM 2078 O O . ILE A 1 275 ? -4.169 0.265 5.832 1.00 57.53 ? 414 ILE G O 1 ATOM 2079 C CB . ILE A 1 275 ? -3.038 -1.208 3.380 1.00 60.42 ? 414 ILE G CB 1 ATOM 2080 C CG1 . ILE A 1 275 ? -2.525 -2.493 2.727 1.00 62.73 ? 414 ILE G CG1 1 ATOM 2081 C CG2 . ILE A 1 275 ? -2.699 0.009 2.527 1.00 57.45 ? 414 ILE G CG2 1 ATOM 2082 C CD1 . ILE A 1 275 ? -3.068 -2.731 1.331 1.00 58.57 ? 414 ILE G CD1 1 ATOM 2083 N N . THR A 1 276 ? -2.160 1.234 5.542 1.00 62.35 ? 415 THR G N 1 ATOM 2084 C CA . THR A 1 276 ? -2.574 2.501 6.135 1.00 65.07 ? 415 THR G CA 1 ATOM 2085 C C . THR A 1 276 ? -2.490 3.644 5.129 1.00 65.55 ? 415 THR G C 1 ATOM 2086 O O . THR A 1 276 ? -1.399 4.078 4.760 1.00 66.80 ? 415 THR G O 1 ATOM 2087 C CB . THR A 1 276 ? -1.718 2.852 7.365 1.00 62.86 ? 415 THR G CB 1 ATOM 2088 O OG1 . THR A 1 276 ? -1.769 1.776 8.310 1.00 66.61 ? 415 THR G OG1 1 ATOM 2089 C CG2 . THR A 1 276 ? -2.229 4.124 8.020 1.00 57.27 ? 415 THR G CG2 1 ATOM 2090 N N . LEU A 1 277 ? -3.649 4.125 4.688 1.00 58.60 ? 416 LEU G N 1 ATOM 2091 C CA . LEU A 1 277 ? -3.711 5.233 3.742 1.00 58.91 ? 416 LEU G CA 1 ATOM 2092 C C . LEU A 1 277 ? -3.714 6.569 4.469 1.00 62.14 ? 416 LEU G C 1 ATOM 2093 O O . LEU A 1 277 ? -4.489 6.764 5.404 1.00 62.73 ? 416 LEU G O 1 ATOM 2094 C CB . LEU A 1 277 ? -4.958 5.128 2.864 1.00 47.16 ? 416 LEU G CB 1 ATOM 2095 C CG . LEU A 1 277 ? -5.229 3.808 2.143 1.00 53.85 ? 416 LEU G CG 1 ATOM 2096 C CD1 . LEU A 1 277 ? -6.531 3.911 1.373 1.00 39.62 ? 416 LEU G CD1 1 ATOM 2097 C CD2 . LEU A 1 277 ? -4.080 3.435 1.219 1.00 48.72 ? 416 LEU G CD2 1 ATOM 2098 N N . PRO A 1 278 ? -2.845 7.497 4.043 1.00 64.61 ? 417 PRO G N 1 ATOM 2099 C CA . PRO A 1 278 ? -2.824 8.841 4.627 1.00 61.03 ? 417 PRO G CA 1 ATOM 2100 C C . PRO A 1 278 ? -4.029 9.654 4.172 1.00 55.47 ? 417 PRO G C 1 ATOM 2101 O O . PRO A 1 278 ? -4.305 9.708 2.975 1.00 53.00 ? 417 PRO G O 1 ATOM 2102 C CB . PRO A 1 278 ? -1.520 9.447 4.088 1.00 69.76 ? 417 PRO G CB 1 ATOM 2103 C CG . PRO A 1 278 ? -0.751 8.294 3.491 1.00 71.88 ? 417 PRO G CG 1 ATOM 2104 C CD . PRO A 1 278 ? -1.783 7.316 3.042 1.00 61.91 ? 417 PRO G CD 1 ATOM 2105 N N . CYS A 1 279 ? -4.740 10.268 5.112 1.00 47.54 ? 418 CYS G N 1 ATOM 2106 C CA . CYS A 1 279 ? -5.903 11.081 4.775 1.00 51.20 ? 418 CYS G CA 1 ATOM 2107 C C . CYS A 1 279 ? -5.774 12.493 5.328 1.00 59.33 ? 418 CYS G C 1 ATOM 2108 O O . CYS A 1 279 ? -5.011 12.737 6.263 1.00 66.61 ? 418 CYS G O 1 ATOM 2109 C CB . CYS A 1 279 ? -7.187 10.443 5.310 1.00 59.26 ? 418 CYS G CB 1 ATOM 2110 S SG . CYS A 1 279 ? -7.502 8.760 4.750 1.00 65.74 ? 418 CYS G SG 1 ATOM 2111 N N . LYS A 1 280 ? -6.527 13.420 4.748 1.00 56.57 ? 419 LYS G N 1 ATOM 2112 C CA . LYS A 1 280 ? -6.613 14.771 5.285 1.00 60.74 ? 419 LYS G CA 1 ATOM 2113 C C . LYS A 1 280 ? -8.041 15.297 5.179 1.00 54.71 ? 419 LYS G C 1 ATOM 2114 O O . LYS A 1 280 ? -8.691 15.153 4.147 1.00 50.92 ? 419 LYS G O 1 ATOM 2115 C CB . LYS A 1 280 ? -5.634 15.709 4.569 1.00 60.62 ? 419 LYS G CB 1 ATOM 2116 C CG . LYS A 1 280 ? -5.625 15.585 3.055 1.00 77.90 ? 419 LYS G CG 1 ATOM 2117 C CD . LYS A 1 280 ? -4.564 16.489 2.440 1.00 86.55 ? 419 LYS G CD 1 ATOM 2118 C CE . LYS A 1 280 ? -4.497 16.326 0.928 1.00 78.17 ? 419 LYS G CE 1 ATOM 2119 N NZ . LYS A 1 280 ? -3.540 17.287 0.312 1.00 73.93 ? 419 LYS G NZ 1 ATOM 2120 N N . ILE A 1 281 ? -8.534 15.881 6.266 1.00 55.47 ? 420 ILE G N 1 ATOM 2121 C CA . ILE A 1 281 ? -9.851 16.500 6.262 1.00 52.28 ? 420 ILE G CA 1 ATOM 2122 C C . ILE A 1 281 ? -9.727 17.930 5.758 1.00 50.05 ? 420 ILE G C 1 ATOM 2123 O O . ILE A 1 281 ? -9.020 18.746 6.348 1.00 65.25 ? 420 ILE G O 1 ATOM 2124 C CB . ILE A 1 281 ? -10.495 16.494 7.663 1.00 53.40 ? 420 ILE G CB 1 ATOM 2125 C CG1 . ILE A 1 281 ? -10.745 15.058 8.128 1.00 58.91 ? 420 ILE G CG1 1 ATOM 2126 C CG2 . ILE A 1 281 ? -11.796 17.284 7.658 1.00 46.56 ? 420 ILE G CG2 1 ATOM 2127 C CD1 . ILE A 1 281 ? -11.355 14.964 9.511 1.00 61.89 ? 420 ILE G CD1 1 ATOM 2128 N N . LYS A 1 282 ? -10.407 18.231 4.660 1.00 54.15 ? 421 LYS G N 1 ATOM 2129 C CA . LYS A 1 282 ? -10.296 19.548 4.052 1.00 56.19 ? 421 LYS G CA 1 ATOM 2130 C C . LYS A 1 282 ? -11.533 20.390 4.327 1.00 59.54 ? 421 LYS G C 1 ATOM 2131 O O . LYS A 1 282 ? -12.649 19.875 4.389 1.00 55.54 ? 421 LYS G O 1 ATOM 2132 C CB . LYS A 1 282 ? -10.052 19.419 2.545 1.00 42.25 ? 421 LYS G CB 1 ATOM 2133 C CG . LYS A 1 282 ? -8.707 18.785 2.209 1.00 47.67 ? 421 LYS G CG 1 ATOM 2134 C CD . LYS A 1 282 ? -8.457 18.689 0.706 1.00 49.42 ? 421 LYS G CD 1 ATOM 2135 C CE . LYS A 1 282 ? -8.369 20.061 0.052 1.00 62.80 ? 421 LYS G CE 1 ATOM 2136 N NZ . LYS A 1 282 ? -9.661 20.472 -0.558 1.00 67.19 ? 421 LYS G NZ 1 ATOM 2137 N N . GLN A 1 283 ? -11.319 21.689 4.504 1.00 57.30 ? 422 GLN G N 1 ATOM 2138 C CA . GLN A 1 283 ? -12.407 22.617 4.776 1.00 55.55 ? 422 GLN G CA 1 ATOM 2139 C C . GLN A 1 283 ? -12.757 23.381 3.507 1.00 57.72 ? 422 GLN G C 1 ATOM 2140 O O . GLN A 1 283 ? -13.851 23.926 3.377 1.00 68.98 ? 422 GLN G O 1 ATOM 2141 C CB . GLN A 1 283 ? -12.031 23.584 5.904 1.00 64.46 ? 422 GLN G CB 1 ATOM 2142 C CG . GLN A 1 283 ? -11.777 22.913 7.251 1.00 70.97 ? 422 GLN G CG 1 ATOM 2143 C CD . GLN A 1 283 ? -10.451 22.175 7.302 1.00 75.24 ? 422 GLN G CD 1 ATOM 2144 O OE1 . GLN A 1 283 ? -9.482 22.571 6.653 1.00 77.68 ? 422 GLN G OE1 1 ATOM 2145 N NE2 . GLN A 1 283 ? -10.407 21.089 8.065 1.00 77.46 ? 422 GLN G NE2 1 ATOM 2146 N N . ILE A 1 284 ? -11.813 23.411 2.573 1.00 53.86 ? 423 ILE G N 1 ATOM 2147 C CA . ILE A 1 284 ? -12.041 24.007 1.264 1.00 48.57 ? 423 ILE G CA 1 ATOM 2148 C C . ILE A 1 284 ? -12.157 22.901 0.223 1.00 50.37 ? 423 ILE G C 1 ATOM 2149 O O . ILE A 1 284 ? -11.181 22.208 -0.065 1.00 50.41 ? 423 ILE G O 1 ATOM 2150 C CB . ILE A 1 284 ? -10.908 24.974 0.876 1.00 63.37 ? 423 ILE G CB 1 ATOM 2151 C CG1 . ILE A 1 284 ? -10.731 26.042 1.959 1.00 73.34 ? 423 ILE G CG1 1 ATOM 2152 C CG2 . ILE A 1 284 ? -11.185 25.605 -0.481 1.00 54.28 ? 423 ILE G CG2 1 ATOM 2153 C CD1 . ILE A 1 284 ? -9.567 26.977 1.716 1.00 83.60 ? 423 ILE G CD1 1 ATOM 2154 N N . ILE A 1 285 ? -13.354 22.725 -0.328 1.00 48.89 ? 424 ILE G N 1 ATOM 2155 C CA . ILE A 1 285 ? -13.611 21.616 -1.241 1.00 45.67 ? 424 ILE G CA 1 ATOM 2156 C C . ILE A 1 285 ? -14.229 22.066 -2.561 1.00 50.70 ? 424 ILE G C 1 ATOM 2157 O O . ILE A 1 285 ? -14.861 23.121 -2.635 1.00 50.53 ? 424 ILE G O 1 ATOM 2158 C CB . ILE A 1 285 ? -14.555 20.570 -0.606 1.00 51.91 ? 424 ILE G CB 1 ATOM 2159 C CG1 . ILE A 1 285 ? -15.997 21.081 -0.612 1.00 54.18 ? 424 ILE G CG1 1 ATOM 2160 C CG2 . ILE A 1 285 ? -14.109 20.220 0.809 1.00 47.26 ? 424 ILE G CG2 1 ATOM 2161 C CD1 . ILE A 1 285 ? -17.021 20.015 -0.338 1.00 60.96 ? 424 ILE G CD1 1 ATOM 2162 N N . ASN A 1 286 ? -14.031 21.264 -3.603 1.00 44.25 ? 425 ASN G N 1 ATOM 2163 C CA . ASN A 1 286 ? -14.786 21.421 -4.839 1.00 41.85 ? 425 ASN G CA 1 ATOM 2164 C C . ASN A 1 286 ? -16.085 20.634 -4.720 1.00 50.11 ? 425 ASN G C 1 ATOM 2165 O O . ASN A 1 286 ? -16.062 19.428 -4.467 1.00 43.46 ? 425 ASN G O 1 ATOM 2166 C CB . ASN A 1 286 ? -13.980 20.943 -6.052 1.00 36.25 ? 425 ASN G CB 1 ATOM 2167 C CG . ASN A 1 286 ? -12.770 21.813 -6.332 1.00 44.44 ? 425 ASN G CG 1 ATOM 2168 O OD1 . ASN A 1 286 ? -12.888 23.028 -6.501 1.00 41.78 ? 425 ASN G OD1 1 ATOM 2169 N ND2 . ASN A 1 286 ? -11.594 21.193 -6.380 1.00 41.15 ? 425 ASN G ND2 1 ATOM 2170 N N . MET A 1 287 ? -17.214 21.316 -4.890 1.00 50.70 ? 426 MET G N 1 ATOM 2171 C CA . MET A 1 287 ? -18.521 20.680 -4.743 1.00 48.96 ? 426 MET G CA 1 ATOM 2172 C C . MET A 1 287 ? -18.832 19.731 -5.894 1.00 48.35 ? 426 MET G C 1 ATOM 2173 O O . MET A 1 287 ? -18.617 20.064 -7.061 1.00 45.12 ? 426 MET G O 1 ATOM 2174 C CB . MET A 1 287 ? -19.617 21.739 -4.631 1.00 43.62 ? 426 MET G CB 1 ATOM 2175 C CG . MET A 1 287 ? -19.735 22.353 -3.246 1.00 50.41 ? 426 MET G CG 1 ATOM 2176 S SD . MET A 1 287 ? -20.856 23.763 -3.208 1.00 70.32 ? 426 MET G SD 1 ATOM 2177 C CE . MET A 1 287 ? -19.851 25.010 -4.010 1.00 69.15 ? 426 MET G CE 1 ATOM 2178 N N . TRP A 1 288 ? -19.338 18.545 -5.563 1.00 43.69 ? 427 TRP G N 1 ATOM 2179 C CA . TRP A 1 288 ? -19.702 17.574 -6.588 1.00 49.17 ? 427 TRP G CA 1 ATOM 2180 C C . TRP A 1 288 ? -21.036 17.953 -7.220 1.00 50.21 ? 427 TRP G C 1 ATOM 2181 O O . TRP A 1 288 ? -21.324 17.565 -8.354 1.00 42.62 ? 427 TRP G O 1 ATOM 2182 C CB . TRP A 1 288 ? -19.768 16.156 -6.010 1.00 49.79 ? 427 TRP G CB 1 ATOM 2183 C CG . TRP A 1 288 ? -20.904 15.940 -5.055 1.00 48.54 ? 427 TRP G CG 1 ATOM 2184 C CD1 . TRP A 1 288 ? -20.872 16.078 -3.698 1.00 44.74 ? 427 TRP G CD1 1 ATOM 2185 C CD2 . TRP A 1 288 ? -22.242 15.549 -5.389 1.00 44.32 ? 427 TRP G CD2 1 ATOM 2186 N NE1 . TRP A 1 288 ? -22.108 15.799 -3.165 1.00 47.31 ? 427 TRP G NE1 1 ATOM 2187 C CE2 . TRP A 1 288 ? -22.967 15.473 -4.182 1.00 50.06 ? 427 TRP G CE2 1 ATOM 2188 C CE3 . TRP A 1 288 ? -22.899 15.262 -6.590 1.00 44.49 ? 427 TRP G CE3 1 ATOM 2189 C CZ2 . TRP A 1 288 ? -24.313 15.117 -4.142 1.00 42.56 ? 427 TRP G CZ2 1 ATOM 2190 C CZ3 . TRP A 1 288 ? -24.235 14.909 -6.548 1.00 47.91 ? 427 TRP G CZ3 1 ATOM 2191 C CH2 . TRP A 1 288 ? -24.928 14.839 -5.331 1.00 48.40 ? 427 TRP G CH2 1 ATOM 2192 N N . GLN A 1 289 ? -21.841 18.720 -6.486 1.00 48.41 ? 428 GLN G N 1 ATOM 2193 C CA . GLN A 1 289 ? -23.139 19.184 -6.978 1.00 73.45 ? 428 GLN G CA 1 ATOM 2194 C C . GLN A 1 289 ? -23.041 19.876 -8.343 1.00 92.43 ? 428 GLN G C 1 ATOM 2195 O O . GLN A 1 289 ? -24.022 19.935 -9.084 1.00 95.23 ? 428 GLN G O 1 ATOM 2196 C CB . GLN A 1 289 ? -23.791 20.130 -5.967 1.00 68.75 ? 428 GLN G CB 1 ATOM 2197 C CG . GLN A 1 289 ? -24.136 19.487 -4.630 1.00 61.65 ? 428 GLN G CG 1 ATOM 2198 C CD . GLN A 1 289 ? -23.002 19.577 -3.626 1.00 61.35 ? 428 GLN G CD 1 ATOM 2199 O OE1 . GLN A 1 289 ? -21.925 19.020 -3.836 1.00 62.35 ? 428 GLN G OE1 1 ATOM 2200 N NE2 . GLN A 1 289 ? -23.240 20.287 -2.530 1.00 58.63 ? 428 GLN G NE2 1 ATOM 2201 N N . GLY A 1 290 ? -21.861 20.398 -8.668 1.00 98.35 ? 429 GLY G N 1 ATOM 2202 C CA . GLY A 1 290 ? -21.598 20.905 -10.004 1.00 95.37 ? 429 GLY G CA 1 ATOM 2203 C C . GLY A 1 290 ? -21.102 22.337 -10.066 1.00 94.02 ? 429 GLY G C 1 ATOM 2204 O O . GLY A 1 290 ? -20.673 22.806 -11.121 1.00 94.64 ? 429 GLY G O 1 ATOM 2205 N N . THR A 1 291 ? -21.154 23.035 -8.937 1.00 83.00 ? 430 THR G N 1 ATOM 2206 C CA . THR A 1 291 ? -20.795 24.448 -8.900 1.00 86.79 ? 430 THR G CA 1 ATOM 2207 C C . THR A 1 291 ? -19.289 24.661 -8.740 1.00 78.53 ? 430 THR G C 1 ATOM 2208 O O . THR A 1 291 ? -18.495 24.133 -9.518 1.00 84.21 ? 430 THR G O 1 ATOM 2209 C CB . THR A 1 291 ? -21.541 25.171 -7.767 1.00 97.84 ? 430 THR G CB 1 ATOM 2210 O OG1 . THR A 1 291 ? -21.521 24.353 -6.591 1.00 102.89 ? 430 THR G OG1 1 ATOM 2211 C CG2 . THR A 1 291 ? -22.987 25.422 -8.164 1.00 96.83 ? 430 THR G CG2 1 ATOM 2212 N N . GLY A 1 292 ? -18.902 25.439 -7.732 1.00 69.56 ? 431 GLY G N 1 ATOM 2213 C CA . GLY A 1 292 ? -17.502 25.761 -7.511 1.00 61.86 ? 431 GLY G CA 1 ATOM 2214 C C . GLY A 1 292 ? -16.944 25.265 -6.188 1.00 56.57 ? 431 GLY G C 1 ATOM 2215 O O . GLY A 1 292 ? -16.981 24.071 -5.897 1.00 48.01 ? 431 GLY G O 1 ATOM 2216 N N . GLN A 1 293 ? -16.420 26.187 -5.385 1.00 55.53 ? 432 GLN G N 1 ATOM 2217 C CA . GLN A 1 293 ? -15.771 25.827 -4.127 1.00 55.53 ? 432 GLN G CA 1 ATOM 2218 C C . GLN A 1 293 ? -16.649 26.098 -2.908 1.00 61.47 ? 432 GLN G C 1 ATOM 2219 O O . GLN A 1 293 ? -17.479 27.008 -2.912 1.00 60.06 ? 432 GLN G O 1 ATOM 2220 C CB . GLN A 1 293 ? -14.445 26.577 -3.978 1.00 61.56 ? 432 GLN G CB 1 ATOM 2221 C CG . GLN A 1 293 ? -13.369 26.146 -4.962 1.00 73.32 ? 432 GLN G CG 1 ATOM 2222 C CD . GLN A 1 293 ? -12.073 26.914 -4.779 1.00 86.09 ? 432 GLN G CD 1 ATOM 2223 O OE1 . GLN A 1 293 ? -12.057 28.000 -4.198 1.00 80.54 ? 432 GLN G OE1 1 ATOM 2224 N NE2 . GLN A 1 293 ? -10.976 26.350 -5.273 1.00 96.82 ? 432 GLN G NE2 1 ATOM 2225 N N . ALA A 1 294 ? -16.450 25.301 -1.862 1.00 54.36 ? 433 ALA G N 1 ATOM 2226 C CA . ALA A 1 294 ? -17.197 25.457 -0.621 1.00 51.59 ? 433 ALA G CA 1 ATOM 2227 C C . ALA A 1 294 ? -16.255 25.501 0.578 1.00 58.02 ? 433 ALA G C 1 ATOM 2228 O O . ALA A 1 294 ? -15.240 24.803 0.608 1.00 59.64 ? 433 ALA G O 1 ATOM 2229 C CB . ALA A 1 294 ? -18.204 24.329 -0.462 1.00 58.84 ? 433 ALA G CB 1 ATOM 2230 N N . MET A 1 295 ? -16.594 26.328 1.561 1.00 51.17 ? 434 MET G N 1 ATOM 2231 C CA . MET A 1 295 ? -15.792 26.444 2.772 1.00 56.79 ? 434 MET G CA 1 ATOM 2232 C C . MET A 1 295 ? -16.573 25.977 3.994 1.00 64.57 ? 434 MET G C 1 ATOM 2233 O O . MET A 1 295 ? -17.703 26.411 4.222 1.00 67.63 ? 434 MET G O 1 ATOM 2234 C CB . MET A 1 295 ? -15.326 27.885 2.982 1.00 65.38 ? 434 MET G CB 1 ATOM 2235 C CG . MET A 1 295 ? -14.604 28.505 1.797 1.00 63.50 ? 434 MET G CG 1 ATOM 2236 S SD . MET A 1 295 ? -13.805 30.053 2.266 1.00 88.18 ? 434 MET G SD 1 ATOM 2237 C CE . MET A 1 295 ? -13.889 30.968 0.731 1.00 119.25 ? 434 MET G CE 1 ATOM 2238 N N . TYR A 1 296 ? -15.964 25.101 4.784 1.00 64.19 ? 435 TYR G N 1 ATOM 2239 C CA . TYR A 1 296 ? -16.609 24.587 5.986 1.00 65.52 ? 435 TYR G CA 1 ATOM 2240 C C . TYR A 1 296 ? -15.789 24.881 7.235 1.00 62.05 ? 435 TYR G C 1 ATOM 2241 O O . TYR A 1 296 ? -14.609 25.222 7.154 1.00 65.25 ? 435 TYR G O 1 ATOM 2242 C CB . TYR A 1 296 ? -16.848 23.080 5.862 1.00 62.17 ? 435 TYR G CB 1 ATOM 2243 C CG . TYR A 1 296 ? -17.903 22.712 4.846 1.00 57.67 ? 435 TYR G CG 1 ATOM 2244 C CD1 . TYR A 1 296 ? -17.574 22.528 3.509 1.00 60.15 ? 435 TYR G CD1 1 ATOM 2245 C CD2 . TYR A 1 296 ? -19.229 22.548 5.224 1.00 55.06 ? 435 TYR G CD2 1 ATOM 2246 C CE1 . TYR A 1 296 ? -18.538 22.191 2.575 1.00 57.79 ? 435 TYR G CE1 1 ATOM 2247 C CE2 . TYR A 1 296 ? -20.199 22.212 4.298 1.00 59.29 ? 435 TYR G CE2 1 ATOM 2248 C CZ . TYR A 1 296 ? -19.848 22.033 2.976 1.00 55.61 ? 435 TYR G CZ 1 ATOM 2249 O OH . TYR A 1 296 ? -20.812 21.699 2.055 1.00 56.07 ? 435 TYR G OH 1 ATOM 2250 N N . ALA A 1 297 ? -16.430 24.746 8.391 1.00 59.33 ? 436 ALA G N 1 ATOM 2251 C CA . ALA A 1 297 ? -15.767 24.937 9.672 1.00 66.95 ? 436 ALA G CA 1 ATOM 2252 C C . ALA A 1 297 ? -14.747 23.826 9.912 1.00 70.29 ? 436 ALA G C 1 ATOM 2253 O O . ALA A 1 297 ? -14.813 22.777 9.272 1.00 69.45 ? 436 ALA G O 1 ATOM 2254 C CB . ALA A 1 297 ? -16.800 24.977 10.798 1.00 70.13 ? 436 ALA G CB 1 ATOM 2255 N N . PRO A 1 298 ? -13.785 24.061 10.822 1.00 70.84 ? 437 PRO G N 1 ATOM 2256 C CA . PRO A 1 298 ? -12.854 23.005 11.240 1.00 66.83 ? 437 PRO G CA 1 ATOM 2257 C C . PRO A 1 298 ? -13.591 21.771 11.754 1.00 67.02 ? 437 PRO G C 1 ATOM 2258 O O . PRO A 1 298 ? -14.734 21.894 12.194 1.00 69.57 ? 437 PRO G O 1 ATOM 2259 C CB . PRO A 1 298 ? -12.053 23.673 12.360 1.00 73.96 ? 437 PRO G CB 1 ATOM 2260 C CG . PRO A 1 298 ? -12.080 25.115 12.017 1.00 78.21 ? 437 PRO G CG 1 ATOM 2261 C CD . PRO A 1 298 ? -13.428 25.366 11.407 1.00 71.29 ? 437 PRO G CD 1 ATOM 2262 N N . PRO A 1 299 ? -12.946 20.596 11.705 1.00 68.78 ? 438 PRO G N 1 ATOM 2263 C CA . PRO A 1 299 ? -13.606 19.349 12.110 1.00 68.94 ? 438 PRO G CA 1 ATOM 2264 C C . PRO A 1 299 ? -14.019 19.323 13.580 1.00 73.37 ? 438 PRO G C 1 ATOM 2265 O O . PRO A 1 299 ? -13.478 20.070 14.399 1.00 67.97 ? 438 PRO G O 1 ATOM 2266 C CB . PRO A 1 299 ? -12.540 18.282 11.830 1.00 72.59 ? 438 PRO G CB 1 ATOM 2267 C CG . PRO A 1 299 ? -11.247 19.020 11.845 1.00 73.81 ? 438 PRO G CG 1 ATOM 2268 C CD . PRO A 1 299 ? -11.557 20.366 11.272 1.00 75.12 ? 438 PRO G CD 1 ATOM 2269 N N . ILE A 1 300 ? -14.983 18.467 13.899 1.00 73.05 ? 439 ILE G N 1 ATOM 2270 C CA . ILE A 1 300 ? -15.412 18.272 15.277 1.00 83.19 ? 439 ILE G CA 1 ATOM 2271 C C . ILE A 1 300 ? -14.292 17.635 16.092 1.00 81.36 ? 439 ILE G C 1 ATOM 2272 O O . ILE A 1 300 ? -13.402 16.989 15.540 1.00 70.36 ? 439 ILE G O 1 ATOM 2273 C CB . ILE A 1 300 ? -16.674 17.391 15.359 1.00 87.38 ? 439 ILE G CB 1 ATOM 2274 C CG1 . ILE A 1 300 ? -16.488 16.115 14.535 1.00 92.12 ? 439 ILE G CG1 1 ATOM 2275 C CG2 . ILE A 1 300 ? -17.891 18.157 14.867 1.00 81.46 ? 439 ILE G CG2 1 ATOM 2276 C CD1 . ILE A 1 300 ? -17.694 15.200 14.541 1.00 93.73 ? 439 ILE G CD1 1 ATOM 2277 N N . ASP A 1 301 ? -14.334 17.827 17.406 1.00 78.53 ? 440 ASP G N 1 ATOM 2278 C CA . ASP A 1 301 ? -13.328 17.246 18.287 1.00 80.62 ? 440 ASP G CA 1 ATOM 2279 C C . ASP A 1 301 ? -13.627 15.778 18.560 1.00 86.00 ? 440 ASP G C 1 ATOM 2280 O O . ASP A 1 301 ? -14.682 15.269 18.180 1.00 93.61 ? 440 ASP G O 1 ATOM 2281 C CB . ASP A 1 301 ? -13.249 18.024 19.600 1.00 86.22 ? 440 ASP G CB 1 ATOM 2282 C CG . ASP A 1 301 ? -12.682 19.416 19.415 1.00 89.39 ? 440 ASP G CG 1 ATOM 2283 O OD1 . ASP A 1 301 ? -11.894 19.612 18.466 1.00 84.29 ? 440 ASP G OD1 1 ATOM 2284 O OD2 . ASP A 1 301 ? -13.022 20.312 20.217 1.00 90.73 ? 440 ASP G OD2 1 ATOM 2285 N N . GLY A 1 302 ? -12.691 15.099 19.212 1.00 89.77 ? 441 GLY G N 1 ATOM 2286 C CA . GLY A 1 302 ? -12.870 13.701 19.555 1.00 88.48 ? 441 GLY G CA 1 ATOM 2287 C C . GLY A 1 302 ? -12.579 12.754 18.406 1.00 90.03 ? 441 GLY G C 1 ATOM 2288 O O . GLY A 1 302 ? -11.948 13.129 17.416 1.00 85.17 ? 441 GLY G O 1 ATOM 2289 N N . LYS A 1 303 ? -13.053 11.520 18.540 1.00 84.95 ? 442 LYS G N 1 ATOM 2290 C CA . LYS A 1 303 ? -12.764 10.478 17.564 1.00 78.16 ? 442 LYS G CA 1 ATOM 2291 C C . LYS A 1 303 ? -13.748 10.494 16.400 1.00 74.35 ? 442 LYS G C 1 ATOM 2292 O O . LYS A 1 303 ? -14.929 10.188 16.565 1.00 80.26 ? 442 LYS G O 1 ATOM 2293 C CB . LYS A 1 303 ? -12.777 9.105 18.242 1.00 81.43 ? 442 LYS G CB 1 ATOM 2294 C CG . LYS A 1 303 ? -12.264 7.974 17.368 1.00 83.39 ? 442 LYS G CG 1 ATOM 2295 C CD . LYS A 1 303 ? -12.092 6.693 18.170 1.00 84.29 ? 442 LYS G CD 1 ATOM 2296 C CE . LYS A 1 303 ? -11.422 5.609 17.340 1.00 84.73 ? 442 LYS G CE 1 ATOM 2297 N NZ . LYS A 1 303 ? -11.132 4.387 18.138 1.00 88.60 ? 442 LYS G NZ 1 ATOM 2298 N N . ILE A 1 304 ? -13.250 10.861 15.224 1.00 71.58 ? 443 ILE G N 1 ATOM 2299 C CA . ILE A 1 304 ? -14.032 10.780 13.998 1.00 65.23 ? 443 ILE G CA 1 ATOM 2300 C C . ILE A 1 304 ? -13.707 9.472 13.290 1.00 67.52 ? 443 ILE G C 1 ATOM 2301 O O . ILE A 1 304 ? -12.565 9.241 12.895 1.00 73.08 ? 443 ILE G O 1 ATOM 2302 C CB . ILE A 1 304 ? -13.749 11.963 13.057 1.00 62.17 ? 443 ILE G CB 1 ATOM 2303 C CG1 . ILE A 1 304 ? -13.912 13.288 13.804 1.00 61.00 ? 443 ILE G CG1 1 ATOM 2304 C CG2 . ILE A 1 304 ? -14.663 11.906 11.839 1.00 56.88 ? 443 ILE G CG2 1 ATOM 2305 C CD1 . ILE A 1 304 ? -13.518 14.502 12.991 1.00 56.90 ? 443 ILE G CD1 1 ATOM 2306 N N . ASN A 1 305 ? -14.710 8.615 13.136 1.00 60.68 ? 444 ASN G N 1 ATOM 2307 C CA . ASN A 1 305 ? -14.485 7.277 12.605 1.00 56.33 ? 444 ASN G CA 1 ATOM 2308 C C . ASN A 1 305 ? -15.657 6.755 11.783 1.00 59.48 ? 444 ASN G C 1 ATOM 2309 O O . ASN A 1 305 ? -16.819 6.926 12.152 1.00 66.73 ? 444 ASN G O 1 ATOM 2310 C CB . ASN A 1 305 ? -14.187 6.304 13.751 1.00 68.43 ? 444 ASN G CB 1 ATOM 2311 C CG . ASN A 1 305 ? -14.175 4.855 13.301 1.00 71.73 ? 444 ASN G CG 1 ATOM 2312 O OD1 . ASN A 1 305 ? -15.152 4.127 13.486 1.00 68.92 ? 444 ASN G OD1 1 ATOM 2313 N ND2 . ASN A 1 305 ? -13.068 4.429 12.703 1.00 70.25 ? 444 ASN G ND2 1 ATOM 2314 N N . CYS A 1 306 ? -15.340 6.118 10.662 1.00 52.00 ? 445 CYS G N 1 ATOM 2315 C CA . CYS A 1 306 ? -16.353 5.464 9.848 1.00 58.80 ? 445 CYS G CA 1 ATOM 2316 C C . CYS A 1 306 ? -15.796 4.185 9.235 1.00 58.42 ? 445 CYS G C 1 ATOM 2317 O O . CYS A 1 306 ? -14.806 4.207 8.501 1.00 56.70 ? 445 CYS G O 1 ATOM 2318 C CB . CYS A 1 306 ? -16.873 6.409 8.756 1.00 52.58 ? 445 CYS G CB 1 ATOM 2319 S SG . CYS A 1 306 ? -15.626 7.492 8.031 1.00 162.26 ? 445 CYS G SG 1 ATOM 2320 N N . VAL A 1 307 ? -16.431 3.068 9.561 1.00 64.44 ? 446 VAL G N 1 ATOM 2321 C CA . VAL A 1 307 ? -16.050 1.783 9.000 1.00 58.51 ? 446 VAL G CA 1 ATOM 2322 C C . VAL A 1 307 ? -16.998 1.439 7.861 1.00 57.77 ? 446 VAL G C 1 ATOM 2323 O O . VAL A 1 307 ? -18.195 1.253 8.075 1.00 56.14 ? 446 VAL G O 1 ATOM 2324 C CB . VAL A 1 307 ? -16.078 0.672 10.057 1.00 58.56 ? 446 VAL G CB 1 ATOM 2325 C CG1 . VAL A 1 307 ? -15.421 -0.587 9.515 1.00 52.46 ? 446 VAL G CG1 1 ATOM 2326 C CG2 . VAL A 1 307 ? -15.384 1.142 11.332 1.00 50.28 ? 446 VAL G CG2 1 ATOM 2327 N N . SER A 1 308 ? -16.459 1.368 6.649 1.00 44.84 ? 447 SER G N 1 ATOM 2328 C CA . SER A 1 308 ? -17.276 1.126 5.469 1.00 52.08 ? 447 SER G CA 1 ATOM 2329 C C . SER A 1 308 ? -16.890 -0.166 4.763 1.00 49.15 ? 447 SER G C 1 ATOM 2330 O O . SER A 1 308 ? -15.782 -0.675 4.931 1.00 45.13 ? 447 SER G O 1 ATOM 2331 C CB . SER A 1 308 ? -17.157 2.298 4.493 1.00 46.11 ? 447 SER G CB 1 ATOM 2332 O OG . SER A 1 308 ? -17.346 3.533 5.160 1.00 49.96 ? 447 SER G OG 1 ATOM 2333 N N . ASN A 1 309 ? -17.822 -0.695 3.981 1.00 45.30 ? 448 ASN G N 1 ATOM 2334 C CA . ASN A 1 309 ? -17.533 -1.790 3.067 1.00 47.60 ? 448 ASN G CA 1 ATOM 2335 C C . ASN A 1 309 ? -17.099 -1.265 1.711 1.00 39.74 ? 448 ASN G C 1 ATOM 2336 O O . ASN A 1 309 ? -17.850 -0.534 1.073 1.00 44.32 ? 448 ASN G O 1 ATOM 2337 C CB . ASN A 1 309 ? -18.759 -2.671 2.859 1.00 51.48 ? 448 ASN G CB 1 ATOM 2338 C CG . ASN A 1 309 ? -19.068 -3.554 4.036 1.00 67.04 ? 448 ASN G CG 1 ATOM 2339 O OD1 . ASN A 1 309 ? -18.204 -3.873 4.855 1.00 55.46 ? 448 ASN G OD1 1 ATOM 2340 N ND2 . ASN A 1 309 ? -20.324 -3.967 4.119 1.00 92.96 ? 448 ASN G ND2 1 ATOM 2341 N N . ILE A 1 310 ? -15.907 -1.631 1.256 1.00 46.04 ? 449 ILE G N 1 ATOM 2342 C CA . ILE A 1 310 ? -15.569 -1.394 -0.141 1.00 51.07 ? 449 ILE G CA 1 ATOM 2343 C C . ILE A 1 310 ? -16.295 -2.456 -0.954 1.00 54.75 ? 449 ILE G C 1 ATOM 2344 O O . ILE A 1 310 ? -16.037 -3.650 -0.791 1.00 50.55 ? 449 ILE G O 1 ATOM 2345 C CB . ILE A 1 310 ? -14.055 -1.460 -0.412 1.00 50.11 ? 449 ILE G CB 1 ATOM 2346 C CG1 . ILE A 1 310 ? -13.311 -0.426 0.433 1.00 45.12 ? 449 ILE G CG1 1 ATOM 2347 C CG2 . ILE A 1 310 ? -13.771 -1.229 -1.889 1.00 50.41 ? 449 ILE G CG2 1 ATOM 2348 C CD1 . ILE A 1 310 ? -11.810 -0.620 0.443 1.00 49.25 ? 449 ILE G CD1 1 ATOM 2349 N N . THR A 1 311 ? -17.221 -2.029 -1.806 1.00 46.86 ? 450 THR G N 1 ATOM 2350 C CA . THR A 1 311 ? -18.041 -2.981 -2.549 1.00 49.32 ? 450 THR G CA 1 ATOM 2351 C C . THR A 1 311 ? -17.886 -2.827 -4.058 1.00 48.83 ? 450 THR G C 1 ATOM 2352 O O . THR A 1 311 ? -18.419 -3.626 -4.831 1.00 44.11 ? 450 THR G O 1 ATOM 2353 C CB . THR A 1 311 ? -19.529 -2.839 -2.187 1.00 38.09 ? 450 THR G CB 1 ATOM 2354 O OG1 . THR A 1 311 ? -19.951 -1.491 -2.424 1.00 38.69 ? 450 THR G OG1 1 ATOM 2355 C CG2 . THR A 1 311 ? -19.763 -3.199 -0.718 1.00 45.47 ? 450 THR G CG2 1 ATOM 2356 N N . GLY A 1 312 ? -17.152 -1.802 -4.472 1.00 41.76 ? 451 GLY G N 1 ATOM 2357 C CA . GLY A 1 312 ? -16.962 -1.534 -5.885 1.00 45.52 ? 451 GLY G CA 1 ATOM 2358 C C . GLY A 1 312 ? -15.779 -0.629 -6.154 1.00 48.34 ? 451 GLY G C 1 ATOM 2359 O O . GLY A 1 312 ? -15.321 0.095 -5.268 1.00 40.61 ? 451 GLY G O 1 ATOM 2360 N N . ILE A 1 313 ? -15.278 -0.678 -7.384 1.00 45.55 ? 452 ILE G N 1 ATOM 2361 C CA . ILE A 1 313 ? -14.151 0.153 -7.790 1.00 39.54 ? 452 ILE G CA 1 ATOM 2362 C C . ILE A 1 313 ? -14.459 0.866 -9.106 1.00 42.90 ? 452 ILE G C 1 ATOM 2363 O O . ILE A 1 313 ? -15.008 0.269 -10.032 1.00 37.52 ? 452 ILE G O 1 ATOM 2364 C CB . ILE A 1 313 ? -12.859 -0.680 -7.951 1.00 40.00 ? 452 ILE G CB 1 ATOM 2365 C CG1 . ILE A 1 313 ? -12.646 -1.595 -6.742 1.00 46.46 ? 452 ILE G CG1 1 ATOM 2366 C CG2 . ILE A 1 313 ? -11.656 0.227 -8.152 1.00 41.92 ? 452 ILE G CG2 1 ATOM 2367 C CD1 . ILE A 1 313 ? -11.447 -2.511 -6.872 1.00 42.97 ? 452 ILE G CD1 1 ATOM 2368 N N . LEU A 1 314 ? -14.112 2.146 -9.176 1.00 42.07 ? 453 LEU G N 1 ATOM 2369 C CA . LEU A 1 314 ? -14.288 2.933 -10.391 1.00 40.03 ? 453 LEU G CA 1 ATOM 2370 C C . LEU A 1 314 ? -12.958 3.062 -11.120 1.00 39.90 ? 453 LEU G C 1 ATOM 2371 O O . LEU A 1 314 ? -11.970 3.514 -10.541 1.00 41.32 ? 453 LEU G O 1 ATOM 2372 C CB . LEU A 1 314 ? -14.850 4.317 -10.060 1.00 44.80 ? 453 LEU G CB 1 ATOM 2373 C CG . LEU A 1 314 ? -16.222 4.339 -9.385 1.00 51.40 ? 453 LEU G CG 1 ATOM 2374 C CD1 . LEU A 1 314 ? -16.520 5.715 -8.811 1.00 52.10 ? 453 LEU G CD1 1 ATOM 2375 C CD2 . LEU A 1 314 ? -17.302 3.923 -10.372 1.00 53.17 ? 453 LEU G CD2 1 ATOM 2376 N N . LEU A 1 315 ? -12.931 2.663 -12.388 1.00 31.46 ? 454 LEU G N 1 ATOM 2377 C CA . LEU A 1 315 ? -11.683 2.661 -13.142 1.00 33.20 ? 454 LEU G CA 1 ATOM 2378 C C . LEU A 1 315 ? -11.797 3.388 -14.477 1.00 35.64 ? 454 LEU G C 1 ATOM 2379 O O . LEU A 1 315 ? -12.876 3.472 -15.063 1.00 34.24 ? 454 LEU G O 1 ATOM 2380 C CB . LEU A 1 315 ? -11.212 1.223 -13.383 1.00 33.05 ? 454 LEU G CB 1 ATOM 2381 C CG . LEU A 1 315 ? -10.931 0.359 -12.151 1.00 34.48 ? 454 LEU G CG 1 ATOM 2382 C CD1 . LEU A 1 315 ? -10.557 -1.050 -12.568 1.00 32.24 ? 454 LEU G CD1 1 ATOM 2383 C CD2 . LEU A 1 315 ? -9.829 0.978 -11.304 1.00 38.53 ? 454 LEU G CD2 1 ATOM 2384 N N . THR A 1 316 ? -10.671 3.919 -14.942 1.00 35.93 ? 455 THR G N 1 ATOM 2385 C CA . THR A 1 316 ? -10.550 4.416 -16.308 1.00 34.41 ? 455 THR G CA 1 ATOM 2386 C C . THR A 1 316 ? -9.337 3.757 -16.948 1.00 33.62 ? 455 THR G C 1 ATOM 2387 O O . THR A 1 316 ? -8.283 3.644 -16.324 1.00 40.15 ? 455 THR G O 1 ATOM 2388 C CB . THR A 1 316 ? -10.397 5.951 -16.373 1.00 41.78 ? 455 THR G CB 1 ATOM 2389 O OG1 . THR A 1 316 ? -9.144 6.334 -15.794 1.00 59.33 ? 455 THR G OG1 1 ATOM 2390 C CG2 . THR A 1 316 ? -11.530 6.640 -15.630 1.00 30.61 ? 455 THR G CG2 1 ATOM 2391 N N . ARG A 1 317 ? -9.488 3.322 -18.194 1.00 35.57 ? 456 ARG G N 1 ATOM 2392 C CA . ARG A 1 317 ? -8.426 2.601 -18.880 1.00 34.28 ? 456 ARG G CA 1 ATOM 2393 C C . ARG A 1 317 ? -7.654 3.534 -19.807 1.00 41.61 ? 456 ARG G C 1 ATOM 2394 O O . ARG A 1 317 ? -8.249 4.336 -20.527 1.00 40.34 ? 456 ARG G O 1 ATOM 2395 C CB . ARG A 1 317 ? -9.009 1.422 -19.664 1.00 32.89 ? 456 ARG G CB 1 ATOM 2396 C CG . ARG A 1 317 ? -7.983 0.567 -20.390 1.00 32.86 ? 456 ARG G CG 1 ATOM 2397 C CD . ARG A 1 317 ? -8.671 -0.459 -21.283 1.00 40.66 ? 456 ARG G CD 1 ATOM 2398 N NE . ARG A 1 317 ? -9.533 0.178 -22.277 1.00 41.86 ? 456 ARG G NE 1 ATOM 2399 C CZ . ARG A 1 317 ? -9.123 0.572 -23.479 1.00 48.87 ? 456 ARG G CZ 1 ATOM 2400 N NH1 . ARG A 1 317 ? -7.861 0.387 -23.844 1.00 46.98 ? 456 ARG G NH1 1 ATOM 2401 N NH2 . ARG A 1 317 ? -9.974 1.147 -24.320 1.00 44.34 ? 456 ARG G NH2 1 ATOM 2402 N N . ASP A 1 318 ? -6.328 3.428 -19.780 1.00 34.20 ? 457 ASP G N 1 ATOM 2403 C CA . ASP A 1 318 ? -5.474 4.262 -20.618 1.00 35.83 ? 457 ASP G CA 1 ATOM 2404 C C . ASP A 1 318 ? -5.719 4.000 -22.100 1.00 36.08 ? 457 ASP G C 1 ATOM 2405 O O . ASP A 1 318 ? -5.760 2.849 -22.535 1.00 39.20 ? 457 ASP G O 1 ATOM 2406 C CB . ASP A 1 318 ? -3.998 4.022 -20.289 1.00 34.89 ? 457 ASP G CB 1 ATOM 2407 C CG . ASP A 1 318 ? -3.591 4.618 -18.956 1.00 43.31 ? 457 ASP G CG 1 ATOM 2408 O OD1 . ASP A 1 318 ? -4.485 4.927 -18.144 1.00 42.02 ? 457 ASP G OD1 1 ATOM 2409 O OD2 . ASP A 1 318 ? -2.374 4.773 -18.720 1.00 43.68 ? 457 ASP G OD2 1 ATOM 2410 N N . GLY A 1 319 ? -5.883 5.069 -22.872 1.00 36.52 ? 458 GLY G N 1 ATOM 2411 C CA . GLY A 1 319 ? -6.015 4.944 -24.311 1.00 33.16 ? 458 GLY G CA 1 ATOM 2412 C C . GLY A 1 319 ? -4.675 5.148 -24.985 1.00 38.15 ? 458 GLY G C 1 ATOM 2413 O O . GLY A 1 319 ? -3.651 5.280 -24.316 1.00 42.59 ? 458 GLY G O 1 ATOM 2414 N N . GLY A 1 320 ? -4.674 5.175 -26.313 1.00 40.37 ? 459 GLY G N 1 ATOM 2415 C CA . GLY A 1 320 ? -3.464 5.483 -27.049 1.00 37.55 ? 459 GLY G CA 1 ATOM 2416 C C . GLY A 1 320 ? -3.087 4.414 -28.047 1.00 55.92 ? 459 GLY G C 1 ATOM 2417 O O . GLY A 1 320 ? -3.370 3.234 -27.841 1.00 43.39 ? 459 GLY G O 1 ATOM 2418 N N . ALA A 1 321 ? -2.439 4.839 -29.128 1.00 73.97 ? 460 ALA G N 1 ATOM 2419 C CA . ALA A 1 321 ? -2.050 3.944 -30.212 1.00 89.14 ? 460 ALA G CA 1 ATOM 2420 C C . ALA A 1 321 ? -0.705 3.276 -29.943 1.00 98.06 ? 460 ALA G C 1 ATOM 2421 O O . ALA A 1 321 ? 0.206 3.334 -30.770 1.00 102.89 ? 460 ALA G O 1 ATOM 2422 C CB . ALA A 1 321 ? -2.007 4.705 -31.534 1.00 89.52 ? 460 ALA G CB 1 ATOM 2423 N N . ASN A 1 322 ? -0.586 2.644 -28.781 1.00 100.11 ? 461 ASN G N 1 ATOM 2424 C CA . ASN A 1 322 ? 0.599 1.865 -28.452 1.00 113.28 ? 461 ASN G CA 1 ATOM 2425 C C . ASN A 1 322 ? 0.532 0.484 -29.098 1.00 119.45 ? 461 ASN G C 1 ATOM 2426 O O . ASN A 1 322 ? -0.239 0.268 -30.034 1.00 123.26 ? 461 ASN G O 1 ATOM 2427 C CB . ASN A 1 322 ? 0.750 1.745 -26.938 1.00 117.41 ? 461 ASN G CB 1 ATOM 2428 C CG . ASN A 1 322 ? -0.550 1.380 -26.257 1.00 123.40 ? 461 ASN G CG 1 ATOM 2429 O OD1 . ASN A 1 322 ? -1.415 2.231 -26.046 1.00 118.90 ? 461 ASN G OD1 1 ATOM 2430 N ND2 . ASN A 1 322 ? -0.700 0.109 -25.911 1.00 129.18 ? 461 ASN G ND2 1 ATOM 2431 N N . ASN A 1 323 ? 1.333 -0.453 -28.601 1.00 114.19 ? 462 ASN G N 1 ATOM 2432 C CA . ASN A 1 323 ? 1.367 -1.786 -29.191 1.00 109.47 ? 462 ASN G CA 1 ATOM 2433 C C . ASN A 1 323 ? 1.746 -2.867 -28.183 1.00 110.53 ? 462 ASN G C 1 ATOM 2434 O O . ASN A 1 323 ? 1.977 -4.019 -28.553 1.00 113.57 ? 462 ASN G O 1 ATOM 2435 C CB . ASN A 1 323 ? 2.339 -1.809 -30.373 1.00 105.73 ? 462 ASN G CB 1 ATOM 2436 C CG . ASN A 1 323 ? 1.983 -2.867 -31.398 1.00 106.79 ? 462 ASN G CG 1 ATOM 2437 O OD1 . ASN A 1 323 ? 0.840 -3.317 -31.471 1.00 108.08 ? 462 ASN G OD1 1 ATOM 2438 N ND2 . ASN A 1 323 ? 2.963 -3.267 -32.199 1.00 111.39 ? 462 ASN G ND2 1 ATOM 2439 N N . THR A 1 324 ? 1.803 -2.494 -26.909 1.00 107.16 ? 463 THR G N 1 ATOM 2440 C CA . THR A 1 324 ? 2.180 -3.432 -25.857 1.00 100.53 ? 463 THR G CA 1 ATOM 2441 C C . THR A 1 324 ? 1.057 -4.420 -25.552 1.00 87.50 ? 463 THR G C 1 ATOM 2442 O O . THR A 1 324 ? -0.100 -4.192 -25.906 1.00 87.92 ? 463 THR G O 1 ATOM 2443 C CB . THR A 1 324 ? 2.572 -2.697 -24.561 1.00 101.82 ? 463 THR G CB 1 ATOM 2444 O OG1 . THR A 1 324 ? 1.532 -1.781 -24.195 1.00 96.57 ? 463 THR G OG1 1 ATOM 2445 C CG2 . THR A 1 324 ? 3.868 -1.926 -24.760 1.00 104.93 ? 463 THR G CG2 1 ATOM 2446 N N . SER A 1 325 ? 1.406 -5.519 -24.892 1.00 78.19 ? 464 SER G N 1 ATOM 2447 C CA . SER A 1 325 ? 0.428 -6.541 -24.548 1.00 80.30 ? 464 SER G CA 1 ATOM 2448 C C . SER A 1 325 ? -0.109 -6.339 -23.135 1.00 76.98 ? 464 SER G C 1 ATOM 2449 O O . SER A 1 325 ? -0.393 -7.304 -22.424 1.00 78.52 ? 464 SER G O 1 ATOM 2450 C CB . SER A 1 325 ? 1.041 -7.937 -24.685 1.00 90.24 ? 464 SER G CB 1 ATOM 2451 O OG . SER A 1 325 ? 0.079 -8.946 -24.434 1.00 96.70 ? 464 SER G OG 1 ATOM 2452 N N . ASN A 1 326 ? -0.246 -5.082 -22.728 1.00 75.01 ? 465 ASN G N 1 ATOM 2453 C CA . ASN A 1 326 ? -0.795 -4.778 -21.413 1.00 73.11 ? 465 ASN G CA 1 ATOM 2454 C C . ASN A 1 326 ? -1.776 -3.611 -21.443 1.00 66.73 ? 465 ASN G C 1 ATOM 2455 O O . ASN A 1 326 ? -1.680 -2.726 -22.293 1.00 69.57 ? 465 ASN G O 1 ATOM 2456 C CB . ASN A 1 326 ? 0.333 -4.494 -20.413 1.00 75.01 ? 465 ASN G CB 1 ATOM 2457 C CG . ASN A 1 326 ? 1.272 -3.390 -20.874 1.00 80.42 ? 465 ASN G CG 1 ATOM 2458 O OD1 . ASN A 1 326 ? 0.842 -2.287 -21.214 1.00 79.02 ? 465 ASN G OD1 1 ATOM 2459 N ND2 . ASN A 1 326 ? 2.567 -3.686 -20.885 1.00 83.33 ? 465 ASN G ND2 1 ATOM 2460 N N . GLU A 1 327 ? -2.730 -3.631 -20.518 1.00 53.81 ? 466 GLU G N 1 ATOM 2461 C CA . GLU A 1 327 ? -3.666 -2.528 -20.351 1.00 43.74 ? 466 GLU G CA 1 ATOM 2462 C C . GLU A 1 327 ? -3.441 -1.889 -18.988 1.00 45.31 ? 466 GLU G C 1 ATOM 2463 O O . GLU A 1 327 ? -3.160 -2.584 -18.012 1.00 48.15 ? 466 GLU G O 1 ATOM 2464 C CB . GLU A 1 327 ? -5.114 -3.009 -20.484 1.00 40.29 ? 466 GLU G CB 1 ATOM 2465 C CG . GLU A 1 327 ? -5.459 -3.629 -21.832 1.00 51.64 ? 466 GLU G CG 1 ATOM 2466 C CD . GLU A 1 327 ? -5.619 -2.596 -22.937 1.00 49.74 ? 466 GLU G CD 1 ATOM 2467 O OE1 . GLU A 1 327 ? -5.743 -1.391 -22.622 1.00 47.77 ? 466 GLU G OE1 1 ATOM 2468 O OE2 . GLU A 1 327 ? -5.624 -2.990 -24.122 1.00 51.73 ? 466 GLU G OE2 1 ATOM 2469 N N . THR A 1 328 ? -3.561 -0.568 -18.921 1.00 37.58 ? 467 THR G N 1 ATOM 2470 C CA . THR A 1 328 ? -3.357 0.146 -17.666 1.00 42.46 ? 467 THR G CA 1 ATOM 2471 C C . THR A 1 328 ? -4.669 0.728 -17.150 1.00 44.84 ? 467 THR G C 1 ATOM 2472 O O . THR A 1 328 ? -5.417 1.350 -17.903 1.00 48.49 ? 467 THR G O 1 ATOM 2473 C CB . THR A 1 328 ? -2.318 1.270 -17.826 1.00 46.64 ? 467 THR G CB 1 ATOM 2474 O OG1 . THR A 1 328 ? -1.062 0.706 -18.224 1.00 48.46 ? 467 THR G OG1 1 ATOM 2475 C CG2 . THR A 1 328 ? -2.133 2.020 -16.516 1.00 38.03 ? 467 THR G CG2 1 ATOM 2476 N N . PHE A 1 329 ? -4.947 0.515 -15.866 1.00 36.82 ? 468 PHE G N 1 ATOM 2477 C CA . PHE A 1 329 ? -6.179 1.004 -15.255 1.00 36.11 ? 468 PHE G CA 1 ATOM 2478 C C . PHE A 1 329 ? -5.881 1.925 -14.077 1.00 36.29 ? 468 PHE G C 1 ATOM 2479 O O . PHE A 1 329 ? -4.962 1.676 -13.299 1.00 38.87 ? 468 PHE G O 1 ATOM 2480 C CB . PHE A 1 329 ? -7.057 -0.166 -14.806 1.00 46.09 ? 468 PHE G CB 1 ATOM 2481 C CG . PHE A 1 329 ? -7.534 -1.034 -15.938 1.00 37.10 ? 468 PHE G CG 1 ATOM 2482 C CD1 . PHE A 1 329 ? -6.733 -2.046 -16.439 1.00 35.52 ? 468 PHE G CD1 1 ATOM 2483 C CD2 . PHE A 1 329 ? -8.785 -0.835 -16.501 1.00 33.49 ? 468 PHE G CD2 1 ATOM 2484 C CE1 . PHE A 1 329 ? -7.166 -2.843 -17.484 1.00 44.25 ? 468 PHE G CE1 1 ATOM 2485 C CE2 . PHE A 1 329 ? -9.226 -1.630 -17.548 1.00 41.47 ? 468 PHE G CE2 1 ATOM 2486 C CZ . PHE A 1 329 ? -8.414 -2.635 -18.039 1.00 41.22 ? 468 PHE G CZ 1 ATOM 2487 N N . ARG A 1 330 ? -6.661 2.993 -13.955 1.00 38.63 ? 469 ARG G N 1 ATOM 2488 C CA . ARG A 1 330 ? -6.451 3.983 -12.904 1.00 37.12 ? 469 ARG G CA 1 ATOM 2489 C C . ARG A 1 330 ? -7.753 4.266 -12.167 1.00 34.52 ? 469 ARG G C 1 ATOM 2490 O O . ARG A 1 330 ? -8.818 4.290 -12.781 1.00 36.68 ? 469 ARG G O 1 ATOM 2491 C CB . ARG A 1 330 ? -5.882 5.280 -13.492 1.00 33.42 ? 469 ARG G CB 1 ATOM 2492 C CG . ARG A 1 330 ? -4.574 5.095 -14.246 1.00 37.00 ? 469 ARG G CG 1 ATOM 2493 C CD . ARG A 1 330 ? -4.162 6.358 -14.987 1.00 36.54 ? 469 ARG G CD 1 ATOM 2494 N NE . ARG A 1 330 ? -3.114 6.083 -15.966 1.00 35.08 ? 469 ARG G NE 1 ATOM 2495 C CZ . ARG A 1 330 ? -1.812 6.201 -15.724 1.00 33.30 ? 469 ARG G CZ 1 ATOM 2496 N NH1 . ARG A 1 330 ? -1.391 6.605 -14.534 1.00 34.37 ? 469 ARG G NH1 1 ATOM 2497 N NH2 . ARG A 1 330 ? -0.932 5.925 -16.675 1.00 36.63 ? 469 ARG G NH2 1 ATOM 2498 N N . PRO A 1 331 ? -7.669 4.476 -10.843 1.00 38.11 ? 470 PRO G N 1 ATOM 2499 C CA . PRO A 1 331 ? -8.837 4.804 -10.017 1.00 37.55 ? 470 PRO G CA 1 ATOM 2500 C C . PRO A 1 331 ? -9.576 6.015 -10.570 1.00 37.15 ? 470 PRO G C 1 ATOM 2501 O O . PRO A 1 331 ? -8.961 7.064 -10.754 1.00 40.17 ? 470 PRO G O 1 ATOM 2502 C CB . PRO A 1 331 ? -8.229 5.117 -8.645 1.00 35.81 ? 470 PRO G CB 1 ATOM 2503 C CG . PRO A 1 331 ? -6.912 4.444 -8.644 1.00 45.62 ? 470 PRO G CG 1 ATOM 2504 C CD . PRO A 1 331 ? -6.425 4.442 -10.056 1.00 37.32 ? 470 PRO G CD 1 ATOM 2505 N N . GLY A 1 332 ? -10.870 5.869 -10.833 1.00 37.72 ? 471 GLY G N 1 ATOM 2506 C CA . GLY A 1 332 ? -11.633 6.929 -11.465 1.00 48.14 ? 471 GLY G CA 1 ATOM 2507 C C . GLY A 1 332 ? -12.732 7.488 -10.585 1.00 53.46 ? 471 GLY G C 1 ATOM 2508 O O . GLY A 1 332 ? -12.617 7.500 -9.358 1.00 53.08 ? 471 GLY G O 1 ATOM 2509 N N . GLY A 1 333 ? -13.806 7.949 -11.215 1.00 51.56 ? 472 GLY G N 1 ATOM 2510 C CA . GLY A 1 333 ? -14.910 8.546 -10.491 1.00 57.20 ? 472 GLY G CA 1 ATOM 2511 C C . GLY A 1 333 ? -15.015 10.032 -10.760 1.00 51.83 ? 472 GLY G C 1 ATOM 2512 O O . GLY A 1 333 ? -14.239 10.586 -11.537 1.00 55.39 ? 472 GLY G O 1 ATOM 2513 N N . GLY A 1 334 ? -15.974 10.680 -10.107 1.00 42.74 ? 473 GLY G N 1 ATOM 2514 C CA . GLY A 1 334 ? -16.234 12.089 -10.332 1.00 38.54 ? 473 GLY G CA 1 ATOM 2515 C C . GLY A 1 334 ? -17.645 12.277 -10.851 1.00 48.16 ? 473 GLY G C 1 ATOM 2516 O O . GLY A 1 334 ? -18.309 13.266 -10.539 1.00 45.88 ? 473 GLY G O 1 ATOM 2517 N N . ASN A 1 335 ? -18.099 11.319 -11.652 1.00 51.70 ? 474 ASN G N 1 ATOM 2518 C CA . ASN A 1 335 ? -19.477 11.296 -12.120 1.00 42.54 ? 474 ASN G CA 1 ATOM 2519 C C . ASN A 1 335 ? -20.323 10.517 -11.124 1.00 36.53 ? 474 ASN G C 1 ATOM 2520 O O . ASN A 1 335 ? -20.414 9.293 -11.197 1.00 36.56 ? 474 ASN G O 1 ATOM 2521 C CB . ASN A 1 335 ? -19.568 10.679 -13.520 1.00 41.69 ? 474 ASN G CB 1 ATOM 2522 C CG . ASN A 1 335 ? -20.947 10.833 -14.146 1.00 50.58 ? 474 ASN G CG 1 ATOM 2523 O OD1 . ASN A 1 335 ? -21.927 11.134 -13.464 1.00 46.32 ? 474 ASN G OD1 1 ATOM 2524 N ND2 . ASN A 1 335 ? -21.027 10.615 -15.455 1.00 56.80 ? 474 ASN G ND2 1 ATOM 2525 N N . ILE A 1 336 ? -20.940 11.239 -10.194 1.00 34.93 ? 475 ILE G N 1 ATOM 2526 C CA . ILE A 1 336 ? -21.666 10.627 -9.086 1.00 36.11 ? 475 ILE G CA 1 ATOM 2527 C C . ILE A 1 336 ? -22.883 9.837 -9.567 1.00 43.67 ? 475 ILE G C 1 ATOM 2528 O O . ILE A 1 336 ? -23.378 8.953 -8.863 1.00 41.74 ? 475 ILE G O 1 ATOM 2529 C CB . ILE A 1 336 ? -22.098 11.703 -8.062 1.00 33.25 ? 475 ILE G CB 1 ATOM 2530 C CG1 . ILE A 1 336 ? -20.889 12.548 -7.663 1.00 42.61 ? 475 ILE G CG1 1 ATOM 2531 C CG2 . ILE A 1 336 ? -22.701 11.075 -6.820 1.00 29.60 ? 475 ILE G CG2 1 ATOM 2532 C CD1 . ILE A 1 336 ? -19.721 11.726 -7.144 1.00 38.76 ? 475 ILE G CD1 1 ATOM 2533 N N . LYS A 1 337 ? -23.353 10.140 -10.774 1.00 46.68 ? 476 LYS G N 1 ATOM 2534 C CA . LYS A 1 337 ? -24.452 9.381 -11.360 1.00 43.54 ? 476 LYS G CA 1 ATOM 2535 C C . LYS A 1 337 ? -24.072 7.910 -11.499 1.00 41.90 ? 476 LYS G C 1 ATOM 2536 O O . LYS A 1 337 ? -24.930 7.031 -11.400 1.00 39.99 ? 476 LYS G O 1 ATOM 2537 C CB . LYS A 1 337 ? -24.854 9.954 -12.720 1.00 42.45 ? 476 LYS G CB 1 ATOM 2538 C CG . LYS A 1 337 ? -25.617 11.270 -12.644 1.00 43.72 ? 476 LYS G CG 1 ATOM 2539 C CD . LYS A 1 337 ? -25.968 11.798 -14.036 1.00 37.46 ? 476 LYS G CD 1 ATOM 2540 C CE . LYS A 1 337 ? -26.632 13.168 -13.945 1.00 38.03 ? 476 LYS G CE 1 ATOM 2541 N NZ . LYS A 1 337 ? -26.988 13.740 -15.277 1.00 42.03 ? 476 LYS G NZ 1 ATOM 2542 N N . ASP A 1 338 ? -22.785 7.647 -11.715 1.00 34.59 ? 477 ASP G N 1 ATOM 2543 C CA . ASP A 1 338 ? -22.293 6.273 -11.823 1.00 37.39 ? 477 ASP G CA 1 ATOM 2544 C C . ASP A 1 338 ? -22.488 5.503 -10.519 1.00 46.36 ? 477 ASP G C 1 ATOM 2545 O O . ASP A 1 338 ? -22.721 4.293 -10.536 1.00 38.49 ? 477 ASP G O 1 ATOM 2546 C CB . ASP A 1 338 ? -20.815 6.252 -12.217 1.00 31.28 ? 477 ASP G CB 1 ATOM 2547 C CG . ASP A 1 338 ? -20.588 6.660 -13.663 1.00 40.82 ? 477 ASP G CG 1 ATOM 2548 O OD1 . ASP A 1 338 ? -21.526 6.524 -14.477 1.00 36.71 ? 477 ASP G OD1 1 ATOM 2549 O OD2 . ASP A 1 338 ? -19.470 7.114 -13.984 1.00 46.82 ? 477 ASP G OD2 1 ATOM 2550 N N . ASN A 1 339 ? -22.384 6.205 -9.392 1.00 37.29 ? 478 ASN G N 1 ATOM 2551 C CA . ASN A 1 339 ? -22.593 5.579 -8.089 1.00 38.35 ? 478 ASN G CA 1 ATOM 2552 C C . ASN A 1 339 ? -23.999 5.014 -7.985 1.00 39.78 ? 478 ASN G C 1 ATOM 2553 O O . ASN A 1 339 ? -24.200 3.918 -7.469 1.00 36.47 ? 478 ASN G O 1 ATOM 2554 C CB . ASN A 1 339 ? -22.343 6.574 -6.953 1.00 40.21 ? 478 ASN G CB 1 ATOM 2555 C CG . ASN A 1 339 ? -20.885 6.970 -6.835 1.00 49.98 ? 478 ASN G CG 1 ATOM 2556 O OD1 . ASN A 1 339 ? -20.179 7.097 -7.837 1.00 54.68 ? 478 ASN G OD1 1 ATOM 2557 N ND2 . ASN A 1 339 ? -20.423 7.160 -5.605 1.00 39.76 ? 478 ASN G ND2 1 ATOM 2558 N N . TRP A 1 340 ? -24.973 5.760 -8.494 1.00 41.76 ? 479 TRP G N 1 ATOM 2559 C CA . TRP A 1 340 ? -26.352 5.300 -8.461 1.00 37.39 ? 479 TRP G CA 1 ATOM 2560 C C . TRP A 1 340 ? -26.574 4.205 -9.504 1.00 44.28 ? 479 TRP G C 1 ATOM 2561 O O . TRP A 1 340 ? -27.377 3.297 -9.293 1.00 42.22 ? 479 TRP G O 1 ATOM 2562 C CB . TRP A 1 340 ? -27.321 6.465 -8.683 1.00 36.85 ? 479 TRP G CB 1 ATOM 2563 C CG . TRP A 1 340 ? -26.914 7.772 -8.032 1.00 39.88 ? 479 TRP G CG 1 ATOM 2564 C CD1 . TRP A 1 340 ? -27.009 9.017 -8.585 1.00 40.95 ? 479 TRP G CD1 1 ATOM 2565 C CD2 . TRP A 1 340 ? -26.350 7.961 -6.722 1.00 40.27 ? 479 TRP G CD2 1 ATOM 2566 N NE1 . TRP A 1 340 ? -26.546 9.966 -7.706 1.00 42.33 ? 479 TRP G NE1 1 ATOM 2567 C CE2 . TRP A 1 340 ? -26.135 9.345 -6.556 1.00 43.84 ? 479 TRP G CE2 1 ATOM 2568 C CE3 . TRP A 1 340 ? -26.005 7.098 -5.674 1.00 33.18 ? 479 TRP G CE3 1 ATOM 2569 C CZ2 . TRP A 1 340 ? -25.594 9.884 -5.390 1.00 38.76 ? 479 TRP G CZ2 1 ATOM 2570 C CZ3 . TRP A 1 340 ? -25.464 7.634 -4.520 1.00 35.83 ? 479 TRP G CZ3 1 ATOM 2571 C CH2 . TRP A 1 340 ? -25.264 9.013 -4.386 1.00 36.18 ? 479 TRP G CH2 1 ATOM 2572 N N . ARG A 1 341 ? -25.855 4.288 -10.623 1.00 39.66 ? 480 ARG G N 1 ATOM 2573 C CA . ARG A 1 341 ? -25.945 3.266 -11.663 1.00 33.48 ? 480 ARG G CA 1 ATOM 2574 C C . ARG A 1 341 ? -25.523 1.903 -11.128 1.00 37.06 ? 480 ARG G C 1 ATOM 2575 O O . ARG A 1 341 ? -26.080 0.878 -11.519 1.00 46.92 ? 480 ARG G O 1 ATOM 2576 C CB . ARG A 1 341 ? -25.086 3.638 -12.879 1.00 31.19 ? 480 ARG G CB 1 ATOM 2577 C CG . ARG A 1 341 ? -25.635 4.798 -13.693 1.00 40.54 ? 480 ARG G CG 1 ATOM 2578 C CD . ARG A 1 341 ? -24.901 4.988 -15.013 1.00 40.75 ? 480 ARG G CD 1 ATOM 2579 N NE . ARG A 1 341 ? -25.548 6.012 -15.830 1.00 41.47 ? 480 ARG G NE 1 ATOM 2580 C CZ . ARG A 1 341 ? -25.105 7.260 -15.959 1.00 48.92 ? 480 ARG G CZ 1 ATOM 2581 N NH1 . ARG A 1 341 ? -23.996 7.644 -15.339 1.00 47.85 ? 480 ARG G NH1 1 ATOM 2582 N NH2 . ARG A 1 341 ? -25.766 8.124 -16.718 1.00 47.59 ? 480 ARG G NH2 1 ATOM 2583 N N . SER A 1 342 ? -24.548 1.901 -10.222 1.00 44.70 ? 481 SER G N 1 ATOM 2584 C CA . SER A 1 342 ? -24.008 0.663 -9.666 1.00 44.46 ? 481 SER G CA 1 ATOM 2585 C C . SER A 1 342 ? -25.010 -0.075 -8.780 1.00 46.67 ? 481 SER G C 1 ATOM 2586 O O . SER A 1 342 ? -24.833 -1.259 -8.494 1.00 46.84 ? 481 SER G O 1 ATOM 2587 C CB . SER A 1 342 ? -22.736 0.946 -8.863 1.00 43.64 ? 481 SER G CB 1 ATOM 2588 O OG . SER A 1 342 ? -23.036 1.636 -7.661 1.00 51.66 ? 481 SER G OG 1 ATOM 2589 N N . GLU A 1 343 ? -26.053 0.622 -8.339 1.00 35.64 ? 482 GLU G N 1 ATOM 2590 C CA . GLU A 1 343 ? -27.085 -0.001 -7.515 1.00 43.25 ? 482 GLU G CA 1 ATOM 2591 C C . GLU A 1 343 ? -28.404 -0.145 -8.273 1.00 38.30 ? 482 GLU G C 1 ATOM 2592 O O . GLU A 1 343 ? -29.240 -0.975 -7.926 1.00 44.28 ? 482 GLU G O 1 ATOM 2593 C CB . GLU A 1 343 ? -27.305 0.804 -6.229 1.00 45.57 ? 482 GLU G CB 1 ATOM 2594 C CG . GLU A 1 343 ? -26.106 0.819 -5.287 1.00 46.92 ? 482 GLU G CG 1 ATOM 2595 C CD . GLU A 1 343 ? -25.865 -0.524 -4.621 1.00 53.17 ? 482 GLU G CD 1 ATOM 2596 O OE1 . GLU A 1 343 ? -26.853 -1.185 -4.234 1.00 49.71 ? 482 GLU G OE1 1 ATOM 2597 O OE2 . GLU A 1 343 ? -24.688 -0.919 -4.484 1.00 50.49 ? 482 GLU G OE2 1 ATOM 2598 N N . LEU A 1 344 ? -28.589 0.668 -9.308 1.00 38.16 ? 483 LEU G N 1 ATOM 2599 C CA . LEU A 1 344 ? -29.834 0.656 -10.071 1.00 38.94 ? 483 LEU G CA 1 ATOM 2600 C C . LEU A 1 344 ? -29.741 -0.178 -11.346 1.00 38.38 ? 483 LEU G C 1 ATOM 2601 O O . LEU A 1 344 ? -30.689 -0.228 -12.128 1.00 40.62 ? 483 LEU G O 1 ATOM 2602 C CB . LEU A 1 344 ? -30.247 2.085 -10.425 1.00 34.70 ? 483 LEU G CB 1 ATOM 2603 C CG . LEU A 1 344 ? -30.793 2.938 -9.280 1.00 37.68 ? 483 LEU G CG 1 ATOM 2604 C CD1 . LEU A 1 344 ? -31.007 4.368 -9.742 1.00 40.08 ? 483 LEU G CD1 1 ATOM 2605 C CD2 . LEU A 1 344 ? -32.091 2.343 -8.764 1.00 36.18 ? 483 LEU G CD2 1 ATOM 2606 N N . TYR A 1 345 ? -28.605 -0.841 -11.542 1.00 40.97 ? 484 TYR G N 1 ATOM 2607 C CA . TYR A 1 345 ? -28.314 -1.521 -12.804 1.00 49.77 ? 484 TYR G CA 1 ATOM 2608 C C . TYR A 1 345 ? -29.319 -2.614 -13.175 1.00 53.68 ? 484 TYR G C 1 ATOM 2609 O O . TYR A 1 345 ? -29.565 -2.852 -14.358 1.00 46.74 ? 484 TYR G O 1 ATOM 2610 C CB . TYR A 1 345 ? -26.902 -2.119 -12.767 1.00 50.14 ? 484 TYR G CB 1 ATOM 2611 C CG . TYR A 1 345 ? -26.751 -3.331 -11.871 1.00 49.27 ? 484 TYR G CG 1 ATOM 2612 C CD1 . TYR A 1 345 ? -26.545 -3.189 -10.505 1.00 45.29 ? 484 TYR G CD1 1 ATOM 2613 C CD2 . TYR A 1 345 ? -26.798 -4.616 -12.395 1.00 50.34 ? 484 TYR G CD2 1 ATOM 2614 C CE1 . TYR A 1 345 ? -26.402 -4.293 -9.684 1.00 52.40 ? 484 TYR G CE1 1 ATOM 2615 C CE2 . TYR A 1 345 ? -26.656 -5.726 -11.581 1.00 58.51 ? 484 TYR G CE2 1 ATOM 2616 C CZ . TYR A 1 345 ? -26.458 -5.558 -10.228 1.00 51.96 ? 484 TYR G CZ 1 ATOM 2617 O OH . TYR A 1 345 ? -26.313 -6.658 -9.416 1.00 56.96 ? 484 TYR G OH 1 ATOM 2618 N N . LYS A 1 346 ? -29.901 -3.271 -12.176 1.00 46.67 ? 485 LYS G N 1 ATOM 2619 C CA . LYS A 1 346 ? -30.795 -4.399 -12.439 1.00 51.15 ? 485 LYS G CA 1 ATOM 2620 C C . LYS A 1 346 ? -32.263 -3.985 -12.557 1.00 52.00 ? 485 LYS G C 1 ATOM 2621 O O . LYS A 1 346 ? -33.140 -4.836 -12.700 1.00 58.58 ? 485 LYS G O 1 ATOM 2622 C CB . LYS A 1 346 ? -30.644 -5.466 -11.345 1.00 48.94 ? 485 LYS G CB 1 ATOM 2623 C CG . LYS A 1 346 ? -30.944 -4.972 -9.938 1.00 51.11 ? 485 LYS G CG 1 ATOM 2624 C CD . LYS A 1 346 ? -30.977 -6.117 -8.928 1.00 58.86 ? 485 LYS G CD 1 ATOM 2625 C CE . LYS A 1 346 ? -29.631 -6.818 -8.819 1.00 55.47 ? 485 LYS G CE 1 ATOM 2626 N NZ . LYS A 1 346 ? -29.612 -7.822 -7.717 1.00 56.80 ? 485 LYS G NZ 1 ATOM 2627 N N . TYR A 1 347 ? -32.528 -2.682 -12.506 1.00 44.66 ? 486 TYR G N 1 ATOM 2628 C CA . TYR A 1 347 ? -33.901 -2.181 -12.543 1.00 45.92 ? 486 TYR G CA 1 ATOM 2629 C C . TYR A 1 347 ? -34.200 -1.375 -13.801 1.00 49.21 ? 486 TYR G C 1 ATOM 2630 O O . TYR A 1 347 ? -33.321 -0.705 -14.344 1.00 58.80 ? 486 TYR G O 1 ATOM 2631 C CB . TYR A 1 347 ? -34.190 -1.309 -11.318 1.00 42.10 ? 486 TYR G CB 1 ATOM 2632 C CG . TYR A 1 347 ? -33.965 -1.990 -9.988 1.00 45.92 ? 486 TYR G CG 1 ATOM 2633 C CD1 . TYR A 1 347 ? -34.928 -2.830 -9.442 1.00 45.81 ? 486 TYR G CD1 1 ATOM 2634 C CD2 . TYR A 1 347 ? -32.794 -1.783 -9.270 1.00 41.34 ? 486 TYR G CD2 1 ATOM 2635 C CE1 . TYR A 1 347 ? -34.726 -3.451 -8.222 1.00 42.82 ? 486 TYR G CE1 1 ATOM 2636 C CE2 . TYR A 1 347 ? -32.584 -2.397 -8.053 1.00 42.25 ? 486 TYR G CE2 1 ATOM 2637 C CZ . TYR A 1 347 ? -33.552 -3.230 -7.533 1.00 46.15 ? 486 TYR G CZ 1 ATOM 2638 O OH . TYR A 1 347 ? -33.342 -3.844 -6.319 1.00 44.04 ? 486 TYR G OH 1 ATOM 2639 N N . LYS A 1 348 ? -35.447 -1.436 -14.256 1.00 52.77 ? 487 LYS G N 1 ATOM 2640 C CA . LYS A 1 348 ? -35.920 -0.539 -15.304 1.00 61.18 ? 487 LYS G CA 1 ATOM 2641 C C . LYS A 1 348 ? -37.426 -0.319 -15.178 1.00 61.20 ? 487 LYS G C 1 ATOM 2642 O O . LYS A 1 348 ? -38.168 -1.214 -14.772 1.00 66.89 ? 487 LYS G O 1 ATOM 2643 C CB . LYS A 1 348 ? -35.564 -1.075 -16.697 1.00 72.66 ? 487 LYS G CB 1 ATOM 2644 C CG . LYS A 1 348 ? -36.453 -2.193 -17.219 1.00 79.32 ? 487 LYS G CG 1 ATOM 2645 C CD . LYS A 1 348 ? -36.170 -2.458 -18.694 1.00 79.69 ? 487 LYS G CD 1 ATOM 2646 C CE . LYS A 1 348 ? -37.113 -3.499 -19.274 1.00 69.62 ? 487 LYS G CE 1 ATOM 2647 N NZ . LYS A 1 348 ? -36.842 -3.740 -20.719 1.00 64.92 ? 487 LYS G NZ 1 ATOM 2648 N N . VAL A 1 349 ? -37.866 0.889 -15.514 1.00 63.43 ? 488 VAL G N 1 ATOM 2649 C CA . VAL A 1 349 ? -39.270 1.256 -15.401 1.00 64.74 ? 488 VAL G CA 1 ATOM 2650 C C . VAL A 1 349 ? -40.026 0.917 -16.681 1.00 62.46 ? 488 VAL G C 1 ATOM 2651 O O . VAL A 1 349 ? -39.565 1.216 -17.782 1.00 58.15 ? 488 VAL G O 1 ATOM 2652 C CB . VAL A 1 349 ? -39.432 2.762 -15.091 1.00 65.22 ? 488 VAL G CB 1 ATOM 2653 C CG1 . VAL A 1 349 ? -40.902 3.156 -15.072 1.00 59.11 ? 488 VAL G CG1 1 ATOM 2654 C CG2 . VAL A 1 349 ? -38.769 3.103 -13.766 1.00 68.88 ? 488 VAL G CG2 1 ATOM 2655 N N . VAL A 1 350 ? -41.181 0.276 -16.529 1.00 64.18 ? 489 VAL G N 1 ATOM 2656 C CA . VAL A 1 350 ? -42.053 -0.003 -17.661 1.00 65.06 ? 489 VAL G CA 1 ATOM 2657 C C . VAL A 1 350 ? -43.472 0.470 -17.365 1.00 66.65 ? 489 VAL G C 1 ATOM 2658 O O . VAL A 1 350 ? -43.870 0.587 -16.206 1.00 69.22 ? 489 VAL G O 1 ATOM 2659 C CB . VAL A 1 350 ? -42.079 -1.506 -18.017 1.00 67.64 ? 489 VAL G CB 1 ATOM 2660 C CG1 . VAL A 1 350 ? -40.695 -1.982 -18.431 1.00 70.08 ? 489 VAL G CG1 1 ATOM 2661 C CG2 . VAL A 1 350 ? -42.606 -2.325 -16.851 1.00 69.74 ? 489 VAL G CG2 1 ATOM 2662 N N . GLN A 1 351 ? -44.227 0.747 -18.422 1.00 68.99 ? 490 GLN G N 1 ATOM 2663 C CA . GLN A 1 351 ? -45.608 1.193 -18.287 1.00 70.18 ? 490 GLN G CA 1 ATOM 2664 C C . GLN A 1 351 ? -46.569 0.110 -18.758 1.00 73.37 ? 490 GLN G C 1 ATOM 2665 O O . GLN A 1 351 ? -46.439 -0.404 -19.867 1.00 81.69 ? 490 GLN G O 1 ATOM 2666 C CB . GLN A 1 351 ? -45.836 2.481 -19.080 1.00 71.80 ? 490 GLN G CB 1 ATOM 2667 C CG . GLN A 1 351 ? -47.274 2.970 -19.072 1.00 75.41 ? 490 GLN G CG 1 ATOM 2668 C CD . GLN A 1 351 ? -47.481 4.175 -19.966 1.00 81.22 ? 490 GLN G CD 1 ATOM 2669 O OE1 . GLN A 1 351 ? -46.570 4.598 -20.678 1.00 83.03 ? 490 GLN G OE1 1 ATOM 2670 N NE2 . GLN A 1 351 ? -48.684 4.736 -19.934 1.00 82.60 ? 490 GLN G NE2 1 ATOM 2671 N N . ILE A 1 352 ? -47.533 -0.234 -17.912 1.00 75.43 ? 491 ILE G N 1 ATOM 2672 C CA . ILE A 1 352 ? -48.515 -1.254 -18.256 1.00 81.23 ? 491 ILE G CA 1 ATOM 2673 C C . ILE A 1 352 ? -49.510 -0.733 -19.285 1.00 92.89 ? 491 ILE G C 1 ATOM 2674 O O . ILE A 1 352 ? -50.379 0.078 -18.961 1.00 96.50 ? 491 ILE G O 1 ATOM 2675 C CB . ILE A 1 352 ? -49.291 -1.737 -17.021 1.00 83.87 ? 491 ILE G CB 1 ATOM 2676 C CG1 . ILE A 1 352 ? -48.328 -2.163 -15.913 1.00 84.28 ? 491 ILE G CG1 1 ATOM 2677 C CG2 . ILE A 1 352 ? -50.223 -2.880 -17.395 1.00 90.04 ? 491 ILE G CG2 1 ATOM 2678 C CD1 . ILE A 1 352 ? -49.028 -2.647 -14.661 1.00 90.37 ? 491 ILE G CD1 1 ATOM 2679 N N . GLU A 1 353 ? -49.367 -1.204 -20.522 1.00 99.02 ? 492 GLU G N 1 ATOM 2680 C CA . GLU A 1 353 ? -50.267 -0.844 -21.616 1.00 105.05 ? 492 GLU G CA 1 ATOM 2681 C C . GLU A 1 353 ? -50.342 0.666 -21.828 1.00 110.79 ? 492 GLU G C 1 ATOM 2682 O O . GLU A 1 353 ? -49.326 1.320 -22.067 1.00 110.09 ? 492 GLU G O 1 ATOM 2683 C CB . GLU A 1 353 ? -51.664 -1.410 -21.357 1.00 104.49 ? 492 GLU G CB 1 ATOM 2684 C CG . GLU A 1 353 ? -51.686 -2.916 -21.171 1.00 107.40 ? 492 GLU G CG 1 ATOM 2685 C CD . GLU A 1 353 ? -53.038 -3.430 -20.729 1.00 121.23 ? 492 GLU G CD 1 ATOM 2686 O OE1 . GLU A 1 353 ? -53.806 -2.646 -20.132 1.00 127.98 ? 492 GLU G OE1 1 ATOM 2687 O OE2 . GLU A 1 353 ? -53.335 -4.617 -20.980 1.00 125.04 ? 492 GLU G OE2 1 ATOM 2688 N N . GLN B 2 1 ? -23.653 28.690 -31.102 1.00 71.74 ? 1 GLN H N 1 ATOM 2689 C CA . GLN B 2 1 ? -22.643 28.179 -32.020 1.00 62.75 ? 1 GLN H CA 1 ATOM 2690 C C . GLN B 2 1 ? -21.359 27.802 -31.277 1.00 48.73 ? 1 GLN H C 1 ATOM 2691 O O . GLN B 2 1 ? -20.732 28.635 -30.620 1.00 44.51 ? 1 GLN H O 1 ATOM 2692 C CB . GLN B 2 1 ? -22.355 29.206 -33.123 1.00 70.36 ? 1 GLN H CB 1 ATOM 2693 C CG . GLN B 2 1 ? -21.935 30.594 -32.640 1.00 85.90 ? 1 GLN H CG 1 ATOM 2694 C CD . GLN B 2 1 ? -23.082 31.423 -32.085 1.00 92.53 ? 1 GLN H CD 1 ATOM 2695 O OE1 . GLN B 2 1 ? -24.208 30.943 -31.956 1.00 96.41 ? 1 GLN H OE1 1 ATOM 2696 N NE2 . GLN B 2 1 ? -22.795 32.677 -31.750 1.00 90.13 ? 1 GLN H NE2 1 ATOM 2697 N N . VAL B 2 2 ? -20.981 26.532 -31.377 1.00 39.76 ? 2 VAL H N 1 ATOM 2698 C CA . VAL B 2 2 ? -19.804 26.015 -30.685 1.00 36.97 ? 2 VAL H CA 1 ATOM 2699 C C . VAL B 2 2 ? -18.520 26.478 -31.363 1.00 39.64 ? 2 VAL H C 1 ATOM 2700 O O . VAL B 2 2 ? -18.370 26.351 -32.578 1.00 38.27 ? 2 VAL H O 1 ATOM 2701 C CB . VAL B 2 2 ? -19.820 24.476 -30.630 1.00 39.77 ? 2 VAL H CB 1 ATOM 2702 C CG1 . VAL B 2 2 ? -18.573 23.946 -29.931 1.00 32.61 ? 2 VAL H CG1 1 ATOM 2703 C CG2 . VAL B 2 2 ? -21.078 23.987 -29.933 1.00 41.71 ? 2 VAL H CG2 1 ATOM 2704 N N . ARG B 2 3 ? -17.597 27.026 -30.579 1.00 38.82 ? 3 ARG H N 1 ATOM 2705 C CA . ARG B 2 3 ? -16.313 27.462 -31.113 1.00 36.55 ? 3 ARG H CA 1 ATOM 2706 C C . ARG B 2 3 ? -15.152 27.063 -30.213 1.00 36.77 ? 3 ARG H C 1 ATOM 2707 O O . ARG B 2 3 ? -15.264 27.065 -28.985 1.00 36.90 ? 3 ARG H O 1 ATOM 2708 C CB . ARG B 2 3 ? -16.298 28.980 -31.327 1.00 33.08 ? 3 ARG H CB 1 ATOM 2709 C CG . ARG B 2 3 ? -17.289 29.472 -32.366 1.00 32.76 ? 3 ARG H CG 1 ATOM 2710 C CD . ARG B 2 3 ? -16.999 30.902 -32.788 1.00 37.28 ? 3 ARG H CD 1 ATOM 2711 N NE . ARG B 2 3 ? -17.950 31.355 -33.797 1.00 45.21 ? 3 ARG H NE 1 ATOM 2712 C CZ . ARG B 2 3 ? -19.034 32.072 -33.526 1.00 53.93 ? 3 ARG H CZ 1 ATOM 2713 N NH1 . ARG B 2 3 ? -19.297 32.429 -32.276 1.00 58.53 ? 3 ARG H NH1 1 ATOM 2714 N NH2 . ARG B 2 3 ? -19.853 32.434 -34.505 1.00 45.14 ? 3 ARG H NH2 1 ATOM 2715 N N . LEU B 2 4 ? -14.040 26.715 -30.847 1.00 32.23 ? 4 LEU H N 1 ATOM 2716 C CA . LEU B 2 4 ? -12.792 26.428 -30.155 1.00 30.26 ? 4 LEU H CA 1 ATOM 2717 C C . LEU B 2 4 ? -11.705 27.309 -30.761 1.00 38.82 ? 4 LEU H C 1 ATOM 2718 O O . LEU B 2 4 ? -11.456 27.252 -31.965 1.00 32.80 ? 4 LEU H O 1 ATOM 2719 C CB . LEU B 2 4 ? -12.426 24.944 -30.276 1.00 29.55 ? 4 LEU H CB 1 ATOM 2720 C CG . LEU B 2 4 ? -13.447 23.916 -29.773 1.00 29.50 ? 4 LEU H CG 1 ATOM 2721 C CD1 . LEU B 2 4 ? -13.028 22.498 -30.157 1.00 30.94 ? 4 LEU H CD1 1 ATOM 2722 C CD2 . LEU B 2 4 ? -13.628 24.024 -28.266 1.00 31.00 ? 4 LEU H CD2 1 ATOM 2723 N N . SER B 2 5 ? -11.067 28.136 -29.940 1.00 38.33 ? 5 SER H N 1 ATOM 2724 C CA . SER B 2 5 ? -10.070 29.068 -30.456 1.00 37.52 ? 5 SER H CA 1 ATOM 2725 C C . SER B 2 5 ? -8.723 28.862 -29.773 1.00 38.13 ? 5 SER H C 1 ATOM 2726 O O . SER B 2 5 ? -8.624 28.910 -28.545 1.00 35.04 ? 5 SER H O 1 ATOM 2727 C CB . SER B 2 5 ? -10.544 30.511 -30.279 1.00 42.18 ? 5 SER H CB 1 ATOM 2728 O OG . SER B 2 5 ? -9.678 31.409 -30.948 1.00 44.54 ? 5 SER H OG 1 ATOM 2729 N N . GLN B 2 6 ? -7.687 28.644 -30.578 1.00 32.35 ? 6 GLN H N 1 ATOM 2730 C CA . GLN B 2 6 ? -6.386 28.226 -30.064 1.00 36.23 ? 6 GLN H CA 1 ATOM 2731 C C . GLN B 2 6 ? -5.343 29.333 -30.133 1.00 42.50 ? 6 GLN H C 1 ATOM 2732 O O . GLN B 2 6 ? -5.456 30.258 -30.937 1.00 36.82 ? 6 GLN H O 1 ATOM 2733 C CB . GLN B 2 6 ? -5.878 27.002 -30.835 1.00 33.31 ? 6 GLN H CB 1 ATOM 2734 C CG . GLN B 2 6 ? -6.778 25.784 -30.756 1.00 29.06 ? 6 GLN H CG 1 ATOM 2735 C CD . GLN B 2 6 ? -6.185 24.586 -31.477 1.00 38.60 ? 6 GLN H CD 1 ATOM 2736 O OE1 . GLN B 2 6 ? -6.868 23.905 -32.242 1.00 41.16 ? 6 GLN H OE1 1 ATOM 2737 N NE2 . GLN B 2 6 ? -4.905 24.326 -31.238 1.00 34.01 ? 6 GLN H NE2 1 ATOM 2738 N N . SER B 2 7 ? -4.322 29.219 -29.288 1.00 39.04 ? 7 SER H N 1 ATOM 2739 C CA . SER B 2 7 ? -3.232 30.189 -29.242 1.00 42.92 ? 7 SER H CA 1 ATOM 2740 C C . SER B 2 7 ? -2.321 30.063 -30.460 1.00 41.42 ? 7 SER H C 1 ATOM 2741 O O . SER B 2 7 ? -2.426 29.108 -31.232 1.00 38.40 ? 7 SER H O 1 ATOM 2742 C CB . SER B 2 7 ? -2.420 30.021 -27.954 1.00 41.76 ? 7 SER H CB 1 ATOM 2743 O OG . SER B 2 7 ? -2.060 28.665 -27.750 1.00 44.55 ? 7 SER H OG 1 ATOM 2744 N N . GLY B 2 8 ? -1.417 31.027 -30.611 1.00 46.38 ? 8 GLY H N 1 ATOM 2745 C CA . GLY B 2 8 ? -0.603 31.157 -31.807 1.00 42.46 ? 8 GLY H CA 1 ATOM 2746 C C . GLY B 2 8 ? 0.533 30.162 -31.959 1.00 42.08 ? 8 GLY H C 1 ATOM 2747 O O . GLY B 2 8 ? 0.943 29.509 -30.998 1.00 44.98 ? 8 GLY H O 1 ATOM 2748 N N . GLY B 2 9 ? 1.047 30.062 -33.183 1.00 43.09 ? 9 GLY H N 1 ATOM 2749 C CA . GLY B 2 9 ? 2.089 29.106 -33.519 1.00 45.73 ? 9 GLY H CA 1 ATOM 2750 C C . GLY B 2 9 ? 3.389 29.353 -32.779 1.00 49.24 ? 9 GLY H C 1 ATOM 2751 O O . GLY B 2 9 ? 3.611 30.445 -32.257 1.00 54.09 ? 9 GLY H O 1 ATOM 2752 N N . GLN B 2 10 ? 4.254 28.342 -32.733 1.00 44.68 ? 10 GLN H N 1 ATOM 2753 C CA . GLN B 2 10 ? 5.490 28.440 -31.957 1.00 49.52 ? 10 GLN H CA 1 ATOM 2754 C C . GLN B 2 10 ? 6.684 27.744 -32.601 1.00 41.53 ? 10 GLN H C 1 ATOM 2755 O O . GLN B 2 10 ? 6.542 26.714 -33.257 1.00 42.37 ? 10 GLN H O 1 ATOM 2756 C CB . GLN B 2 10 ? 5.283 27.859 -30.554 1.00 45.15 ? 10 GLN H CB 1 ATOM 2757 C CG . GLN B 2 10 ? 4.396 28.690 -29.651 1.00 51.04 ? 10 GLN H CG 1 ATOM 2758 C CD . GLN B 2 10 ? 4.406 28.193 -28.222 1.00 51.20 ? 10 GLN H CD 1 ATOM 2759 O OE1 . GLN B 2 10 ? 3.484 27.506 -27.787 1.00 50.07 ? 10 GLN H OE1 1 ATOM 2760 N NE2 . GLN B 2 10 ? 5.453 28.541 -27.483 1.00 57.32 ? 10 GLN H NE2 1 ATOM 2761 N N . MET B 2 11 ? 7.863 28.320 -32.389 1.00 47.59 ? 11 MET H N 1 ATOM 2762 C CA . MET B 2 11 ? 9.122 27.686 -32.756 1.00 48.45 ? 11 MET H CA 1 ATOM 2763 C C . MET B 2 11 ? 9.829 27.215 -31.490 1.00 51.07 ? 11 MET H C 1 ATOM 2764 O O . MET B 2 11 ? 10.011 27.992 -30.552 1.00 55.56 ? 11 MET H O 1 ATOM 2765 C CB . MET B 2 11 ? 10.017 28.651 -33.537 1.00 51.59 ? 11 MET H CB 1 ATOM 2766 C CG . MET B 2 11 ? 9.425 29.143 -34.850 1.00 69.01 ? 11 MET H CG 1 ATOM 2767 S SD . MET B 2 11 ? 9.256 27.835 -36.078 1.00 145.09 ? 11 MET H SD 1 ATOM 2768 C CE . MET B 2 11 ? 10.940 27.229 -36.165 1.00 65.38 ? 11 MET H CE 1 ATOM 2769 N N . LYS B 2 12 ? 10.224 25.945 -31.460 1.00 45.01 ? 12 LYS H N 1 ATOM 2770 C CA . LYS B 2 12 ? 10.890 25.389 -30.286 1.00 46.35 ? 12 LYS H CA 1 ATOM 2771 C C . LYS B 2 12 ? 12.184 24.655 -30.636 1.00 55.20 ? 12 LYS H C 1 ATOM 2772 O O . LYS B 2 12 ? 12.412 24.285 -31.791 1.00 50.24 ? 12 LYS H O 1 ATOM 2773 C CB . LYS B 2 12 ? 9.945 24.446 -29.538 1.00 43.69 ? 12 LYS H CB 1 ATOM 2774 C CG . LYS B 2 12 ? 8.860 25.156 -28.742 1.00 47.01 ? 12 LYS H CG 1 ATOM 2775 C CD . LYS B 2 12 ? 9.460 25.962 -27.600 1.00 52.74 ? 12 LYS H CD 1 ATOM 2776 C CE . LYS B 2 12 ? 8.385 26.669 -26.791 1.00 53.83 ? 12 LYS H CE 1 ATOM 2777 N NZ . LYS B 2 12 ? 8.973 27.432 -25.656 1.00 65.54 ? 12 LYS H NZ 1 ATOM 2778 N N . LYS B 2 13 ? 13.027 24.461 -29.625 1.00 53.64 ? 13 LYS H N 1 ATOM 2779 C CA . LYS B 2 13 ? 14.262 23.694 -29.758 1.00 57.77 ? 13 LYS H CA 1 ATOM 2780 C C . LYS B 2 13 ? 14.103 22.327 -29.097 1.00 56.48 ? 13 LYS H C 1 ATOM 2781 O O . LYS B 2 13 ? 13.254 22.158 -28.223 1.00 52.28 ? 13 LYS H O 1 ATOM 2782 C CB . LYS B 2 13 ? 15.442 24.438 -29.125 1.00 58.83 ? 13 LYS H CB 1 ATOM 2783 C CG . LYS B 2 13 ? 15.783 25.777 -29.753 1.00 67.29 ? 13 LYS H CG 1 ATOM 2784 C CD . LYS B 2 13 ? 17.077 26.316 -29.158 1.00 72.19 ? 13 LYS H CD 1 ATOM 2785 C CE . LYS B 2 13 ? 17.388 27.721 -29.642 1.00 75.63 ? 13 LYS H CE 1 ATOM 2786 N NZ . LYS B 2 13 ? 18.758 28.142 -29.231 1.00 83.74 ? 13 LYS H NZ 1 ATOM 2787 N N . PRO B 2 14 ? 14.917 21.344 -29.516 1.00 51.67 ? 14 PRO H N 1 ATOM 2788 C CA . PRO B 2 14 ? 14.924 20.042 -28.841 1.00 47.81 ? 14 PRO H CA 1 ATOM 2789 C C . PRO B 2 14 ? 15.270 20.169 -27.357 1.00 50.16 ? 14 PRO H C 1 ATOM 2790 O O . PRO B 2 14 ? 16.301 20.744 -27.009 1.00 54.68 ? 14 PRO H O 1 ATOM 2791 C CB . PRO B 2 14 ? 16.006 19.264 -29.592 1.00 46.20 ? 14 PRO H CB 1 ATOM 2792 C CG . PRO B 2 14 ? 16.037 19.885 -30.945 1.00 49.97 ? 14 PRO H CG 1 ATOM 2793 C CD . PRO B 2 14 ? 15.764 21.344 -30.722 1.00 52.09 ? 14 PRO H CD 1 ATOM 2794 N N . GLY B 2 15 ? 14.408 19.638 -26.498 1.00 47.74 ? 15 GLY H N 1 ATOM 2795 C CA . GLY B 2 15 ? 14.612 19.732 -25.064 1.00 57.27 ? 15 GLY H CA 1 ATOM 2796 C C . GLY B 2 15 ? 13.655 20.704 -24.401 1.00 61.22 ? 15 GLY H C 1 ATOM 2797 O O . GLY B 2 15 ? 13.407 20.619 -23.197 1.00 61.53 ? 15 GLY H O 1 ATOM 2798 N N . ASP B 2 16 ? 13.113 21.631 -25.185 1.00 52.74 ? 16 ASP H N 1 ATOM 2799 C CA . ASP B 2 16 ? 12.169 22.611 -24.661 1.00 52.49 ? 16 ASP H CA 1 ATOM 2800 C C . ASP B 2 16 ? 10.852 21.962 -24.268 1.00 51.40 ? 16 ASP H C 1 ATOM 2801 O O . ASP B 2 16 ? 10.566 20.825 -24.645 1.00 45.84 ? 16 ASP H O 1 ATOM 2802 C CB . ASP B 2 16 ? 11.896 23.716 -25.685 1.00 50.64 ? 16 ASP H CB 1 ATOM 2803 C CG . ASP B 2 16 ? 13.099 24.600 -25.931 1.00 55.45 ? 16 ASP H CG 1 ATOM 2804 O OD1 . ASP B 2 16 ? 14.026 24.601 -25.095 1.00 65.15 ? 16 ASP H OD1 1 ATOM 2805 O OD2 . ASP B 2 16 ? 13.110 25.304 -26.962 1.00 53.28 ? 16 ASP H OD2 1 ATOM 2806 N N . SER B 2 17 ? 10.058 22.697 -23.498 1.00 46.14 ? 17 SER H N 1 ATOM 2807 C CA . SER B 2 17 ? 8.670 22.337 -23.258 1.00 45.15 ? 17 SER H CA 1 ATOM 2808 C C . SER B 2 17 ? 7.785 23.338 -23.987 1.00 44.84 ? 17 SER H C 1 ATOM 2809 O O . SER B 2 17 ? 8.214 24.455 -24.275 1.00 53.87 ? 17 SER H O 1 ATOM 2810 C CB . SER B 2 17 ? 8.350 22.325 -21.761 1.00 46.46 ? 17 SER H CB 1 ATOM 2811 O OG . SER B 2 17 ? 9.179 21.411 -21.067 1.00 54.58 ? 17 SER H OG 1 ATOM 2812 N N . MET B 2 18 ? 6.557 22.940 -24.292 1.00 46.60 ? 18 MET H N 1 ATOM 2813 C CA . MET B 2 18 ? 5.615 23.844 -24.940 1.00 48.77 ? 18 MET H CA 1 ATOM 2814 C C . MET B 2 18 ? 4.286 23.855 -24.204 1.00 46.92 ? 18 MET H C 1 ATOM 2815 O O . MET B 2 18 ? 3.892 22.858 -23.599 1.00 35.29 ? 18 MET H O 1 ATOM 2816 C CB . MET B 2 18 ? 5.392 23.449 -26.401 1.00 51.20 ? 18 MET H CB 1 ATOM 2817 C CG . MET B 2 18 ? 4.935 22.010 -26.592 1.00 51.38 ? 18 MET H CG 1 ATOM 2818 S SD . MET B 2 18 ? 3.903 21.766 -28.054 1.00 63.87 ? 18 MET H SD 1 ATOM 2819 C CE . MET B 2 18 ? 2.320 22.322 -27.435 1.00 85.05 ? 18 MET H CE 1 ATOM 2820 N N . ARG B 2 19 ? 3.599 24.989 -24.261 1.00 46.81 ? 19 ARG H N 1 ATOM 2821 C CA . ARG B 2 19 ? 2.250 25.092 -23.726 1.00 43.74 ? 19 ARG H CA 1 ATOM 2822 C C . ARG B 2 19 ? 1.353 25.814 -24.719 1.00 38.87 ? 19 ARG H C 1 ATOM 2823 O O . ARG B 2 19 ? 1.715 26.867 -25.242 1.00 43.16 ? 19 ARG H O 1 ATOM 2824 C CB . ARG B 2 19 ? 2.244 25.820 -22.380 1.00 49.28 ? 19 ARG H CB 1 ATOM 2825 C CG . ARG B 2 19 ? 0.861 25.920 -21.747 1.00 54.90 ? 19 ARG H CG 1 ATOM 2826 C CD . ARG B 2 19 ? 0.876 26.772 -20.479 1.00 66.01 ? 19 ARG H CD 1 ATOM 2827 N NE . ARG B 2 19 ? 1.706 26.194 -19.425 1.00 78.94 ? 19 ARG H NE 1 ATOM 2828 C CZ . ARG B 2 19 ? 2.763 26.797 -18.889 1.00 92.56 ? 19 ARG H CZ 1 ATOM 2829 N NH1 . ARG B 2 19 ? 3.121 28.004 -19.306 1.00 99.51 ? 19 ARG H NH1 1 ATOM 2830 N NH2 . ARG B 2 19 ? 3.459 26.197 -17.932 1.00 88.90 ? 19 ARG H NH2 1 ATOM 2831 N N . ILE B 2 20 ? 0.188 25.234 -24.989 1.00 34.02 ? 20 ILE H N 1 ATOM 2832 C CA . ILE B 2 20 ? -0.788 25.859 -25.874 1.00 46.05 ? 20 ILE H CA 1 ATOM 2833 C C . ILE B 2 20 ? -2.168 25.845 -25.234 1.00 42.12 ? 20 ILE H C 1 ATOM 2834 O O . ILE B 2 20 ? -2.469 24.996 -24.393 1.00 35.36 ? 20 ILE H O 1 ATOM 2835 C CB . ILE B 2 20 ? -0.858 25.161 -27.249 1.00 48.27 ? 20 ILE H CB 1 ATOM 2836 C CG1 . ILE B 2 20 ? -1.190 23.682 -27.088 1.00 62.17 ? 20 ILE H CG1 1 ATOM 2837 C CG2 . ILE B 2 20 ? 0.450 25.325 -28.000 1.00 54.29 ? 20 ILE H CG2 1 ATOM 2838 C CD1 . ILE B 2 20 ? -1.287 22.947 -28.402 1.00 59.66 ? 20 ILE H CD1 1 ATOM 2839 N N . SER B 2 21 ? -3.006 26.791 -25.640 1.00 35.78 ? 21 SER H N 1 ATOM 2840 C CA . SER B 2 21 ? -4.325 26.939 -25.047 1.00 37.18 ? 21 SER H CA 1 ATOM 2841 C C . SER B 2 21 ? -5.430 26.780 -26.081 1.00 35.32 ? 21 SER H C 1 ATOM 2842 O O . SER B 2 21 ? -5.216 26.964 -27.279 1.00 40.09 ? 21 SER H O 1 ATOM 2843 C CB . SER B 2 21 ? -4.448 28.300 -24.358 1.00 37.69 ? 21 SER H CB 1 ATOM 2844 O OG . SER B 2 21 ? -4.277 29.354 -25.290 1.00 37.86 ? 21 SER H OG 1 ATOM 2845 N N . CYS B 2 22 ? -6.615 26.438 -25.596 1.00 35.03 ? 22 CYS H N 1 ATOM 2846 C CA . CYS B 2 22 ? -7.791 26.276 -26.433 1.00 35.76 ? 22 CYS H CA 1 ATOM 2847 C C . CYS B 2 22 ? -8.998 26.819 -25.687 1.00 39.25 ? 22 CYS H C 1 ATOM 2848 O O . CYS B 2 22 ? -9.437 26.230 -24.698 1.00 38.61 ? 22 CYS H O 1 ATOM 2849 C CB . CYS B 2 22 ? -7.998 24.805 -26.796 1.00 30.41 ? 22 CYS H CB 1 ATOM 2850 S SG . CYS B 2 22 ? -9.596 24.434 -27.535 1.00 44.07 ? 22 CYS H SG 1 ATOM 2851 N N . ARG B 2 23 ? -9.523 27.949 -26.149 1.00 34.35 ? 23 ARG H N 1 ATOM 2852 C CA . ARG B 2 23 ? -10.649 28.584 -25.479 1.00 37.01 ? 23 ARG H CA 1 ATOM 2853 C C . ARG B 2 23 ? -11.968 28.163 -26.108 1.00 40.09 ? 23 ARG H C 1 ATOM 2854 O O . ARG B 2 23 ? -12.162 28.298 -27.317 1.00 36.61 ? 23 ARG H O 1 ATOM 2855 C CB . ARG B 2 23 ? -10.515 30.105 -25.521 1.00 29.22 ? 23 ARG H CB 1 ATOM 2856 C CG . ARG B 2 23 ? -11.685 30.830 -24.882 1.00 57.44 ? 23 ARG H CG 1 ATOM 2857 C CD . ARG B 2 23 ? -11.534 32.333 -24.999 1.00 69.04 ? 23 ARG H CD 1 ATOM 2858 N NE . ARG B 2 23 ? -12.820 33.008 -24.857 1.00 87.15 ? 23 ARG H NE 1 ATOM 2859 C CZ . ARG B 2 23 ? -13.675 33.196 -25.858 1.00 90.19 ? 23 ARG H CZ 1 ATOM 2860 N NH1 . ARG B 2 23 ? -13.379 32.758 -27.076 1.00 77.27 ? 23 ARG H NH1 1 ATOM 2861 N NH2 . ARG B 2 23 ? -14.826 33.821 -25.643 1.00 94.86 ? 23 ARG H NH2 1 ATOM 2862 N N . ALA B 2 24 ? -12.873 27.660 -25.275 1.00 37.41 ? 24 ALA H N 1 ATOM 2863 C CA . ALA B 2 24 ? -14.160 27.161 -25.744 1.00 43.17 ? 24 ALA H CA 1 ATOM 2864 C C . ALA B 2 24 ? -15.281 28.166 -25.504 1.00 46.32 ? 24 ALA H C 1 ATOM 2865 O O . ALA B 2 24 ? -15.222 28.968 -24.571 1.00 50.52 ? 24 ALA H O 1 ATOM 2866 C CB . ALA B 2 24 ? -14.488 25.837 -25.066 1.00 33.32 ? 24 ALA H CB 1 ATOM 2867 N N . SER B 2 25 ? -16.303 28.110 -26.351 1.00 43.94 ? 25 SER H N 1 ATOM 2868 C CA . SER B 2 25 ? -17.484 28.950 -26.192 1.00 41.83 ? 25 SER H CA 1 ATOM 2869 C C . SER B 2 25 ? -18.679 28.333 -26.912 1.00 39.04 ? 25 SER H C 1 ATOM 2870 O O . SER B 2 25 ? -18.520 27.415 -27.716 1.00 35.06 ? 25 SER H O 1 ATOM 2871 C CB . SER B 2 25 ? -17.218 30.365 -26.716 1.00 44.42 ? 25 SER H CB 1 ATOM 2872 O OG . SER B 2 25 ? -16.771 30.339 -28.061 1.00 49.19 ? 25 SER H OG 1 ATOM 2873 N N . GLY B 2 26 ? -19.874 28.833 -26.609 1.00 40.76 ? 26 GLY H N 1 ATOM 2874 C CA . GLY B 2 26 ? -21.079 28.411 -27.302 1.00 43.46 ? 26 GLY H CA 1 ATOM 2875 C C . GLY B 2 26 ? -21.817 27.241 -26.678 1.00 40.96 ? 26 GLY H C 1 ATOM 2876 O O . GLY B 2 26 ? -22.884 26.855 -27.155 1.00 43.69 ? 26 GLY H O 1 ATOM 2877 N N . TYR B 2 27 ? -21.260 26.674 -25.612 1.00 40.86 ? 27 TYR H N 1 ATOM 2878 C CA . TYR B 2 27 ? -21.892 25.543 -24.940 1.00 39.51 ? 27 TYR H CA 1 ATOM 2879 C C . TYR B 2 27 ? -21.460 25.452 -23.480 1.00 46.02 ? 27 TYR H C 1 ATOM 2880 O O . TYR B 2 27 ? -20.595 26.204 -23.031 1.00 46.91 ? 27 TYR H O 1 ATOM 2881 C CB . TYR B 2 27 ? -21.563 24.232 -25.663 1.00 27.65 ? 27 TYR H CB 1 ATOM 2882 C CG . TYR B 2 27 ? -20.120 23.795 -25.517 1.00 36.03 ? 27 TYR H CG 1 ATOM 2883 C CD1 . TYR B 2 27 ? -19.115 24.376 -26.282 1.00 37.45 ? 27 TYR H CD1 1 ATOM 2884 C CD2 . TYR B 2 27 ? -19.765 22.794 -24.621 1.00 35.29 ? 27 TYR H CD2 1 ATOM 2885 C CE1 . TYR B 2 27 ? -17.794 23.976 -26.153 1.00 30.89 ? 27 TYR H CE1 1 ATOM 2886 C CE2 . TYR B 2 27 ? -18.447 22.388 -24.484 1.00 36.63 ? 27 TYR H CE2 1 ATOM 2887 C CZ . TYR B 2 27 ? -17.466 22.985 -25.252 1.00 37.97 ? 27 TYR H CZ 1 ATOM 2888 O OH . TYR B 2 27 ? -16.154 22.586 -25.121 1.00 34.61 ? 27 TYR H OH 1 ATOM 2889 N N . GLU B 2 28 ? -22.069 24.526 -22.747 1.00 42.61 ? 28 GLU H N 1 ATOM 2890 C CA . GLU B 2 28 ? -21.722 24.305 -21.348 1.00 41.51 ? 28 GLU H CA 1 ATOM 2891 C C . GLU B 2 28 ? -20.400 23.549 -21.261 1.00 43.34 ? 28 GLU H C 1 ATOM 2892 O O . GLU B 2 28 ? -20.342 22.338 -21.485 1.00 37.42 ? 28 GLU H O 1 ATOM 2893 C CB . GLU B 2 28 ? -22.834 23.540 -20.630 1.00 54.81 ? 28 GLU H CB 1 ATOM 2894 C CG . GLU B 2 28 ? -22.688 23.495 -19.116 1.00 74.61 ? 28 GLU H CG 1 ATOM 2895 C CD . GLU B 2 28 ? -22.920 24.844 -18.462 1.00 85.93 ? 28 GLU H CD 1 ATOM 2896 O OE1 . GLU B 2 28 ? -23.612 25.691 -19.068 1.00 91.76 ? 28 GLU H OE1 1 ATOM 2897 O OE2 . GLU B 2 28 ? -22.410 25.058 -17.342 1.00 90.58 ? 28 GLU H OE2 1 ATOM 2898 N N . PHE B 2 29 ? -19.345 24.285 -20.926 1.00 41.18 ? 29 PHE H N 1 ATOM 2899 C CA . PHE B 2 29 ? -17.965 23.801 -20.989 1.00 39.82 ? 29 PHE H CA 1 ATOM 2900 C C . PHE B 2 29 ? -17.695 22.495 -20.234 1.00 44.34 ? 29 PHE H C 1 ATOM 2901 O O . PHE B 2 29 ? -16.946 21.639 -20.709 1.00 41.34 ? 29 PHE H O 1 ATOM 2902 C CB . PHE B 2 29 ? -17.038 24.902 -20.465 1.00 42.09 ? 29 PHE H CB 1 ATOM 2903 C CG . PHE B 2 29 ? -15.580 24.560 -20.529 1.00 39.08 ? 29 PHE H CG 1 ATOM 2904 C CD1 . PHE B 2 29 ? -14.988 24.210 -21.729 1.00 37.51 ? 29 PHE H CD1 1 ATOM 2905 C CD2 . PHE B 2 29 ? -14.792 24.623 -19.389 1.00 36.98 ? 29 PHE H CD2 1 ATOM 2906 C CE1 . PHE B 2 29 ? -13.642 23.907 -21.790 1.00 40.34 ? 29 PHE H CE1 1 ATOM 2907 C CE2 . PHE B 2 29 ? -13.445 24.325 -19.443 1.00 34.72 ? 29 PHE H CE2 1 ATOM 2908 C CZ . PHE B 2 29 ? -12.868 23.966 -20.647 1.00 37.00 ? 29 PHE H CZ 1 ATOM 2909 N N . GLN B 2 30 ? -18.306 22.336 -19.066 1.00 34.38 ? 30 GLN H N 1 ATOM 2910 C CA . GLN B 2 30 ? -17.998 21.198 -18.206 1.00 46.03 ? 30 GLN H CA 1 ATOM 2911 C C . GLN B 2 30 ? -18.750 19.927 -18.597 1.00 41.03 ? 30 GLN H C 1 ATOM 2912 O O . GLN B 2 30 ? -18.550 18.874 -17.994 1.00 45.88 ? 30 GLN H O 1 ATOM 2913 C CB . GLN B 2 30 ? -18.301 21.546 -16.746 1.00 50.78 ? 30 GLN H CB 1 ATOM 2914 C CG . GLN B 2 30 ? -19.780 21.610 -16.417 1.00 60.09 ? 30 GLN H CG 1 ATOM 2915 C CD . GLN B 2 30 ? -20.040 22.133 -15.018 1.00 80.92 ? 30 GLN H CD 1 ATOM 2916 O OE1 . GLN B 2 30 ? -19.125 22.600 -14.337 1.00 81.87 ? 30 GLN H OE1 1 ATOM 2917 N NE2 . GLN B 2 30 ? -21.292 22.061 -14.583 1.00 90.20 ? 30 GLN H NE2 1 ATOM 2918 N N . ASN B 2 31 ? -19.608 20.020 -19.608 1.00 35.50 ? 31 ASN H N 1 ATOM 2919 C CA . ASN B 2 31 ? -20.421 18.877 -20.016 1.00 40.54 ? 31 ASN H CA 1 ATOM 2920 C C . ASN B 2 31 ? -19.746 17.932 -21.011 1.00 36.48 ? 31 ASN H C 1 ATOM 2921 O O . ASN B 2 31 ? -20.192 16.799 -21.186 1.00 39.10 ? 31 ASN H O 1 ATOM 2922 C CB . ASN B 2 31 ? -21.743 19.358 -20.613 1.00 48.61 ? 31 ASN H CB 1 ATOM 2923 C CG . ASN B 2 31 ? -22.699 19.886 -19.562 1.00 57.40 ? 31 ASN H CG 1 ATOM 2924 O OD1 . ASN B 2 31 ? -22.451 19.766 -18.361 1.00 63.26 ? 31 ASN H OD1 1 ATOM 2925 N ND2 . ASN B 2 31 ? -23.810 20.459 -20.010 1.00 54.66 ? 31 ASN H ND2 1 ATOM 2926 N N . CYS B 2 32 ? -18.684 18.394 -21.665 1.00 45.44 ? 32 CYS H N 1 ATOM 2927 C CA . CYS B 2 32 ? -18.055 17.617 -22.734 1.00 48.10 ? 32 CYS H CA 1 ATOM 2928 C C . CYS B 2 32 ? -16.546 17.504 -22.564 1.00 36.25 ? 32 CYS H C 1 ATOM 2929 O O . CYS B 2 32 ? -15.895 18.454 -22.134 1.00 38.29 ? 32 CYS H O 1 ATOM 2930 C CB . CYS B 2 32 ? -18.349 18.243 -24.105 1.00 45.79 ? 32 CYS H CB 1 ATOM 2931 S SG . CYS B 2 32 ? -19.974 19.013 -24.275 1.00 57.71 ? 32 CYS H SG 1 ATOM 2932 N N . PRO B 2 33 ? -15.984 16.342 -22.921 1.00 31.30 ? 33 PRO H N 1 ATOM 2933 C CA . PRO B 2 33 ? -14.527 16.181 -22.946 1.00 32.27 ? 33 PRO H CA 1 ATOM 2934 C C . PRO B 2 33 ? -13.883 17.025 -24.040 1.00 32.59 ? 33 PRO H C 1 ATOM 2935 O O . PRO B 2 33 ? -14.481 17.237 -25.095 1.00 34.99 ? 33 PRO H O 1 ATOM 2936 C CB . PRO B 2 33 ? -14.334 14.686 -23.238 1.00 28.72 ? 33 PRO H CB 1 ATOM 2937 C CG . PRO B 2 33 ? -15.645 14.048 -22.898 1.00 31.19 ? 33 PRO H CG 1 ATOM 2938 C CD . PRO B 2 33 ? -16.681 15.082 -23.224 1.00 31.45 ? 33 PRO H CD 1 ATOM 2939 N N . ILE B 2 34 ? -12.676 17.507 -23.778 1.00 35.55 ? 34 ILE H N 1 ATOM 2940 C CA . ILE B 2 34 ? -11.876 18.151 -24.805 1.00 34.05 ? 34 ILE H CA 1 ATOM 2941 C C . ILE B 2 34 ? -10.725 17.223 -25.171 1.00 33.20 ? 34 ILE H C 1 ATOM 2942 O O . ILE B 2 34 ? -10.082 16.652 -24.295 1.00 31.93 ? 34 ILE H O 1 ATOM 2943 C CB . ILE B 2 34 ? -11.336 19.518 -24.338 1.00 43.31 ? 34 ILE H CB 1 ATOM 2944 C CG1 . ILE B 2 34 ? -12.484 20.519 -24.216 1.00 45.99 ? 34 ILE H CG1 1 ATOM 2945 C CG2 . ILE B 2 34 ? -10.284 20.044 -25.306 1.00 44.96 ? 34 ILE H CG2 1 ATOM 2946 C CD1 . ILE B 2 34 ? -12.026 21.945 -24.089 1.00 67.56 ? 34 ILE H CD1 1 ATOM 2947 N N . ASN B 2 35 ? -10.482 17.056 -26.467 1.00 31.83 ? 35 ASN H N 1 ATOM 2948 C CA . ASN B 2 35 ? -9.394 16.205 -26.934 1.00 30.00 ? 35 ASN H CA 1 ATOM 2949 C C . ASN B 2 35 ? -8.280 17.020 -27.568 1.00 34.49 ? 35 ASN H C 1 ATOM 2950 O O . ASN B 2 35 ? -8.508 18.128 -28.048 1.00 31.93 ? 35 ASN H O 1 ATOM 2951 C CB . ASN B 2 35 ? -9.902 15.178 -27.950 1.00 29.37 ? 35 ASN H CB 1 ATOM 2952 C CG . ASN B 2 35 ? -10.985 14.287 -27.390 1.00 29.68 ? 35 ASN H CG 1 ATOM 2953 O OD1 . ASN B 2 35 ? -10.731 13.141 -27.023 1.00 38.34 ? 35 ASN H OD1 1 ATOM 2954 N ND2 . ASN B 2 35 ? -12.207 14.803 -27.332 1.00 33.99 ? 35 ASN H ND2 1 ATOM 2955 N N . TRP B 2 36 ? -7.075 16.461 -27.578 1.00 32.20 ? 36 TRP H N 1 ATOM 2956 C CA . TRP B 2 36 ? -5.980 17.053 -28.330 1.00 33.60 ? 36 TRP H CA 1 ATOM 2957 C C . TRP B 2 36 ? -5.477 16.070 -29.389 1.00 36.61 ? 36 TRP H C 1 ATOM 2958 O O . TRP B 2 36 ? -5.109 14.933 -29.085 1.00 37.86 ? 36 TRP H O 1 ATOM 2959 C CB . TRP B 2 36 ? -4.845 17.479 -27.398 1.00 33.11 ? 36 TRP H CB 1 ATOM 2960 C CG . TRP B 2 36 ? -5.234 18.576 -26.436 1.00 34.87 ? 36 TRP H CG 1 ATOM 2961 C CD1 . TRP B 2 36 ? -5.756 18.420 -25.188 1.00 34.16 ? 36 TRP H CD1 1 ATOM 2962 C CD2 . TRP B 2 36 ? -5.124 19.992 -26.650 1.00 33.18 ? 36 TRP H CD2 1 ATOM 2963 N NE1 . TRP B 2 36 ? -5.980 19.648 -24.609 1.00 34.18 ? 36 TRP H NE1 1 ATOM 2964 C CE2 . TRP B 2 36 ? -5.599 20.629 -25.486 1.00 36.35 ? 36 TRP H CE2 1 ATOM 2965 C CE3 . TRP B 2 36 ? -4.672 20.782 -27.712 1.00 35.35 ? 36 TRP H CE3 1 ATOM 2966 C CZ2 . TRP B 2 36 ? -5.638 22.017 -25.353 1.00 37.71 ? 36 TRP H CZ2 1 ATOM 2967 C CZ3 . TRP B 2 36 ? -4.708 22.162 -27.579 1.00 34.60 ? 36 TRP H CZ3 1 ATOM 2968 C CH2 . TRP B 2 36 ? -5.185 22.764 -26.408 1.00 41.32 ? 36 TRP H CH2 1 ATOM 2969 N N . ILE B 2 37 ? -5.494 16.522 -30.637 1.00 34.35 ? 37 ILE H N 1 ATOM 2970 C CA . ILE B 2 37 ? -5.041 15.738 -31.779 1.00 33.51 ? 37 ILE H CA 1 ATOM 2971 C C . ILE B 2 37 ? -3.937 16.506 -32.489 1.00 38.28 ? 37 ILE H C 1 ATOM 2972 O O . ILE B 2 37 ? -4.058 17.714 -32.689 1.00 35.60 ? 37 ILE H O 1 ATOM 2973 C CB . ILE B 2 37 ? -6.184 15.469 -32.780 1.00 34.14 ? 37 ILE H CB 1 ATOM 2974 C CG1 . ILE B 2 37 ? -7.480 15.129 -32.043 1.00 39.38 ? 37 ILE H CG1 1 ATOM 2975 C CG2 . ILE B 2 37 ? -5.795 14.371 -33.781 1.00 34.43 ? 37 ILE H CG2 1 ATOM 2976 C CD1 . ILE B 2 37 ? -7.458 13.782 -31.380 1.00 42.57 ? 37 ILE H CD1 1 ATOM 2977 N N . ARG B 2 38 ? -2.860 15.826 -32.868 1.00 31.08 ? 38 ARG H N 1 ATOM 2978 C CA . ARG B 2 38 ? -1.825 16.496 -33.642 1.00 37.13 ? 38 ARG H CA 1 ATOM 2979 C C . ARG B 2 38 ? -1.669 15.873 -35.024 1.00 35.23 ? 38 ARG H C 1 ATOM 2980 O O . ARG B 2 38 ? -1.786 14.656 -35.196 1.00 34.96 ? 38 ARG H O 1 ATOM 2981 C CB . ARG B 2 38 ? -0.487 16.492 -32.894 1.00 33.78 ? 38 ARG H CB 1 ATOM 2982 C CG . ARG B 2 38 ? 0.137 15.128 -32.646 1.00 35.81 ? 38 ARG H CG 1 ATOM 2983 C CD . ARG B 2 38 ? 1.444 15.300 -31.878 1.00 36.20 ? 38 ARG H CD 1 ATOM 2984 N NE . ARG B 2 38 ? 2.157 14.045 -31.669 1.00 37.80 ? 38 ARG H NE 1 ATOM 2985 C CZ . ARG B 2 38 ? 3.339 13.956 -31.067 1.00 45.64 ? 38 ARG H CZ 1 ATOM 2986 N NH1 . ARG B 2 38 ? 3.936 15.051 -30.614 1.00 40.27 ? 38 ARG H NH1 1 ATOM 2987 N NH2 . ARG B 2 38 ? 3.924 12.775 -30.917 1.00 46.31 ? 38 ARG H NH2 1 ATOM 2988 N N . LEU B 2 39 ? -1.416 16.739 -36.002 1.00 33.20 ? 39 LEU H N 1 ATOM 2989 C CA . LEU B 2 39 ? -1.252 16.354 -37.396 1.00 40.62 ? 39 LEU H CA 1 ATOM 2990 C C . LEU B 2 39 ? 0.124 16.724 -37.917 1.00 48.92 ? 39 LEU H C 1 ATOM 2991 O O . LEU B 2 39 ? 0.557 17.871 -37.799 1.00 40.29 ? 39 LEU H O 1 ATOM 2992 C CB . LEU B 2 39 ? -2.304 17.031 -38.273 1.00 53.34 ? 39 LEU H CB 1 ATOM 2993 C CG . LEU B 2 39 ? -3.759 16.610 -38.124 1.00 65.70 ? 39 LEU H CG 1 ATOM 2994 C CD1 . LEU B 2 39 ? -4.605 17.307 -39.164 1.00 69.21 ? 39 LEU H CD1 1 ATOM 2995 C CD2 . LEU B 2 39 ? -3.844 15.138 -38.306 1.00 69.52 ? 39 LEU H CD2 1 ATOM 2996 N N . ALA B 2 40 ? 0.803 15.748 -38.502 1.00 56.32 ? 40 ALA H N 1 ATOM 2997 C CA . ALA B 2 40 ? 2.033 16.000 -39.235 1.00 55.80 ? 40 ALA H CA 1 ATOM 2998 C C . ALA B 2 40 ? 1.910 15.353 -40.604 1.00 59.94 ? 40 ALA H C 1 ATOM 2999 O O . ALA B 2 40 ? 1.491 14.198 -40.706 1.00 48.48 ? 40 ALA H O 1 ATOM 3000 C CB . ALA B 2 40 ? 3.237 15.462 -38.480 1.00 57.86 ? 40 ALA H CB 1 ATOM 3001 N N . PRO B 2 41 ? 2.250 16.100 -41.666 1.00 70.45 ? 41 PRO H N 1 ATOM 3002 C CA . PRO B 2 41 ? 2.167 15.549 -43.022 1.00 69.98 ? 41 PRO H CA 1 ATOM 3003 C C . PRO B 2 41 ? 2.995 14.274 -43.152 1.00 65.83 ? 41 PRO H C 1 ATOM 3004 O O . PRO B 2 41 ? 4.122 14.220 -42.661 1.00 62.90 ? 41 PRO H O 1 ATOM 3005 C CB . PRO B 2 41 ? 2.729 16.674 -43.902 1.00 72.79 ? 41 PRO H CB 1 ATOM 3006 C CG . PRO B 2 41 ? 3.484 17.571 -42.963 1.00 76.84 ? 41 PRO H CG 1 ATOM 3007 C CD . PRO B 2 41 ? 2.761 17.481 -41.659 1.00 71.16 ? 41 PRO H CD 1 ATOM 3008 N N . GLY B 2 42 ? 2.423 13.252 -43.781 1.00 62.54 ? 42 GLY H N 1 ATOM 3009 C CA . GLY B 2 42 ? 3.110 11.985 -43.951 1.00 57.10 ? 42 GLY H CA 1 ATOM 3010 C C . GLY B 2 42 ? 2.951 11.053 -42.766 1.00 59.52 ? 42 GLY H C 1 ATOM 3011 O O . GLY B 2 42 ? 3.488 9.945 -42.761 1.00 60.20 ? 42 GLY H O 1 ATOM 3012 N N . LYS B 2 43 ? 2.217 11.497 -41.751 1.00 54.69 ? 43 LYS H N 1 ATOM 3013 C CA . LYS B 2 43 ? 1.977 10.661 -40.582 1.00 55.34 ? 43 LYS H CA 1 ATOM 3014 C C . LYS B 2 43 ? 0.491 10.574 -40.250 1.00 47.22 ? 43 LYS H C 1 ATOM 3015 O O . LYS B 2 43 ? -0.297 11.435 -40.637 1.00 41.57 ? 43 LYS H O 1 ATOM 3016 C CB . LYS B 2 43 ? 2.759 11.186 -39.373 1.00 60.17 ? 43 LYS H CB 1 ATOM 3017 C CG . LYS B 2 43 ? 4.268 11.209 -39.576 1.00 68.45 ? 43 LYS H CG 1 ATOM 3018 C CD . LYS B 2 43 ? 5.023 11.058 -38.261 1.00 76.67 ? 43 LYS H CD 1 ATOM 3019 C CE . LYS B 2 43 ? 4.729 12.201 -37.305 1.00 75.18 ? 43 LYS H CE 1 ATOM 3020 N NZ . LYS B 2 43 ? 5.515 12.080 -36.044 1.00 79.86 ? 43 LYS H NZ 1 ATOM 3021 N N . ARG B 2 44 ? 0.112 9.517 -39.543 1.00 47.26 ? 44 ARG H N 1 ATOM 3022 C CA . ARG B 2 44 ? -1.256 9.375 -39.073 1.00 41.59 ? 44 ARG H CA 1 ATOM 3023 C C . ARG B 2 44 ? -1.581 10.473 -38.069 1.00 45.61 ? 44 ARG H C 1 ATOM 3024 O O . ARG B 2 44 ? -0.718 10.875 -37.287 1.00 45.19 ? 44 ARG H O 1 ATOM 3025 C CB . ARG B 2 44 ? -1.466 8.004 -38.428 1.00 40.92 ? 44 ARG H CB 1 ATOM 3026 C CG . ARG B 2 44 ? -0.560 6.913 -38.977 1.00 61.89 ? 44 ARG H CG 1 ATOM 3027 C CD . ARG B 2 44 ? -0.692 5.642 -38.156 1.00 67.55 ? 44 ARG H CD 1 ATOM 3028 N NE . ARG B 2 44 ? -2.035 5.085 -38.261 1.00 60.11 ? 44 ARG H NE 1 ATOM 3029 C CZ . ARG B 2 44 ? -2.344 4.023 -38.995 1.00 48.80 ? 44 ARG H CZ 1 ATOM 3030 N NH1 . ARG B 2 44 ? -1.401 3.389 -39.676 1.00 55.54 ? 44 ARG H NH1 1 ATOM 3031 N NH2 . ARG B 2 44 ? -3.596 3.589 -39.039 1.00 53.73 ? 44 ARG H NH2 1 ATOM 3032 N N . PRO B 2 45 ? -2.824 10.973 -38.099 1.00 37.39 ? 45 PRO H N 1 ATOM 3033 C CA . PRO B 2 45 ? -3.324 11.825 -37.016 1.00 35.30 ? 45 PRO H CA 1 ATOM 3034 C C . PRO B 2 45 ? -3.130 11.125 -35.678 1.00 39.02 ? 45 PRO H C 1 ATOM 3035 O O . PRO B 2 45 ? -3.385 9.928 -35.594 1.00 37.11 ? 45 PRO H O 1 ATOM 3036 C CB . PRO B 2 45 ? -4.809 11.984 -37.347 1.00 37.79 ? 45 PRO H CB 1 ATOM 3037 C CG . PRO B 2 45 ? -4.878 11.797 -38.838 1.00 30.36 ? 45 PRO H CG 1 ATOM 3038 C CD . PRO B 2 45 ? -3.818 10.789 -39.171 1.00 29.21 ? 45 PRO H CD 1 ATOM 3039 N N . GLU B 2 46 ? -2.678 11.845 -34.659 1.00 31.90 ? 46 GLU H N 1 ATOM 3040 C CA . GLU B 2 46 ? -2.382 11.210 -33.384 1.00 34.68 ? 46 GLU H CA 1 ATOM 3041 C C . GLU B 2 46 ? -3.169 11.837 -32.243 1.00 36.78 ? 46 GLU H C 1 ATOM 3042 O O . GLU B 2 46 ? -3.009 13.017 -31.935 1.00 36.25 ? 46 GLU H O 1 ATOM 3043 C CB . GLU B 2 46 ? -0.884 11.281 -33.084 1.00 35.75 ? 46 GLU H CB 1 ATOM 3044 C CG . GLU B 2 46 ? -0.477 10.508 -31.836 1.00 39.53 ? 46 GLU H CG 1 ATOM 3045 C CD . GLU B 2 46 ? 1.015 10.557 -31.579 1.00 45.33 ? 46 GLU H CD 1 ATOM 3046 O OE1 . GLU B 2 46 ? 1.684 11.471 -32.112 1.00 40.01 ? 46 GLU H OE1 1 ATOM 3047 O OE2 . GLU B 2 46 ? 1.519 9.678 -30.848 1.00 46.39 ? 46 GLU H OE2 1 ATOM 3048 N N . TRP B 2 47 ? -4.027 11.031 -31.630 1.00 32.86 ? 47 TRP H N 1 ATOM 3049 C CA . TRP B 2 47 ? -4.765 11.430 -30.441 1.00 31.62 ? 47 TRP H CA 1 ATOM 3050 C C . TRP B 2 47 ? -3.805 11.465 -29.256 1.00 29.65 ? 47 TRP H C 1 ATOM 3051 O O . TRP B 2 47 ? -3.089 10.495 -29.006 1.00 34.02 ? 47 TRP H O 1 ATOM 3052 C CB . TRP B 2 47 ? -5.922 10.460 -30.193 1.00 34.70 ? 47 TRP H CB 1 ATOM 3053 C CG . TRP B 2 47 ? -6.733 10.711 -28.950 1.00 32.07 ? 47 TRP H CG 1 ATOM 3054 C CD1 . TRP B 2 47 ? -7.741 11.616 -28.797 1.00 34.88 ? 47 TRP H CD1 1 ATOM 3055 C CD2 . TRP B 2 47 ? -6.627 10.015 -27.699 1.00 26.20 ? 47 TRP H CD2 1 ATOM 3056 N NE1 . TRP B 2 47 ? -8.258 11.542 -27.525 1.00 30.94 ? 47 TRP H NE1 1 ATOM 3057 C CE2 . TRP B 2 47 ? -7.594 10.563 -26.833 1.00 35.79 ? 47 TRP H CE2 1 ATOM 3058 C CE3 . TRP B 2 47 ? -5.805 8.986 -27.228 1.00 36.57 ? 47 TRP H CE3 1 ATOM 3059 C CZ2 . TRP B 2 47 ? -7.763 10.116 -25.523 1.00 31.68 ? 47 TRP H CZ2 1 ATOM 3060 C CZ3 . TRP B 2 47 ? -5.974 8.544 -25.925 1.00 38.39 ? 47 TRP H CZ3 1 ATOM 3061 C CH2 . TRP B 2 47 ? -6.941 9.113 -25.087 1.00 34.66 ? 47 TRP H CH2 1 ATOM 3062 N N . MET B 2 48 ? -3.773 12.584 -28.543 1.00 32.82 ? 48 MET H N 1 ATOM 3063 C CA . MET B 2 48 ? -2.842 12.742 -27.428 1.00 31.22 ? 48 MET H CA 1 ATOM 3064 C C . MET B 2 48 ? -3.500 12.472 -26.080 1.00 32.31 ? 48 MET H C 1 ATOM 3065 O O . MET B 2 48 ? -2.829 12.095 -25.114 1.00 34.05 ? 48 MET H O 1 ATOM 3066 C CB . MET B 2 48 ? -2.239 14.147 -27.438 1.00 30.00 ? 48 MET H CB 1 ATOM 3067 C CG . MET B 2 48 ? -1.493 14.486 -28.719 1.00 31.65 ? 48 MET H CG 1 ATOM 3068 S SD . MET B 2 48 ? -0.833 16.161 -28.697 1.00 38.65 ? 48 MET H SD 1 ATOM 3069 C CE . MET B 2 48 ? 0.398 16.020 -27.403 1.00 38.08 ? 48 MET H CE 1 ATOM 3070 N N . GLY B 2 49 ? -4.812 12.671 -26.016 1.00 31.61 ? 49 GLY H N 1 ATOM 3071 C CA . GLY B 2 49 ? -5.547 12.474 -24.781 1.00 37.73 ? 49 GLY H CA 1 ATOM 3072 C C . GLY B 2 49 ? -6.829 13.280 -24.708 1.00 39.18 ? 49 GLY H C 1 ATOM 3073 O O . GLY B 2 49 ? -7.057 14.156 -25.544 1.00 33.36 ? 49 GLY H O 1 ATOM 3074 N N . TRP B 2 50 ? -7.680 12.976 -23.729 1.00 32.76 ? 50 TRP H N 1 ATOM 3075 C CA . TRP B 2 50 ? -8.824 13.841 -23.452 1.00 29.55 ? 50 TRP H CA 1 ATOM 3076 C C . TRP B 2 50 ? -8.781 14.402 -22.037 1.00 35.10 ? 50 TRP H C 1 ATOM 3077 O O . TRP B 2 50 ? -8.111 13.869 -21.153 1.00 31.47 ? 50 TRP H O 1 ATOM 3078 C CB . TRP B 2 50 ? -10.176 13.130 -23.692 1.00 25.85 ? 50 TRP H CB 1 ATOM 3079 C CG . TRP B 2 50 ? -10.457 11.795 -22.995 1.00 33.26 ? 50 TRP H CG 1 ATOM 3080 C CD1 . TRP B 2 50 ? -10.580 10.575 -23.604 1.00 33.99 ? 50 TRP H CD1 1 ATOM 3081 C CD2 . TRP B 2 50 ? -10.717 11.563 -21.594 1.00 32.47 ? 50 TRP H CD2 1 ATOM 3082 N NE1 . TRP B 2 50 ? -10.872 9.604 -22.677 1.00 31.14 ? 50 TRP H NE1 1 ATOM 3083 C CE2 . TRP B 2 50 ? -10.962 10.181 -21.438 1.00 30.47 ? 50 TRP H CE2 1 ATOM 3084 C CE3 . TRP B 2 50 ? -10.752 12.383 -20.461 1.00 31.23 ? 50 TRP H CE3 1 ATOM 3085 C CZ2 . TRP B 2 50 ? -11.233 9.601 -20.194 1.00 36.80 ? 50 TRP H CZ2 1 ATOM 3086 C CZ3 . TRP B 2 50 ? -11.019 11.804 -19.226 1.00 41.63 ? 50 TRP H CZ3 1 ATOM 3087 C CH2 . TRP B 2 50 ? -11.256 10.426 -19.104 1.00 40.09 ? 50 TRP H CH2 1 ATOM 3088 N N . MET B 2 51 ? -9.505 15.498 -21.850 1.00 30.81 ? 51 MET H N 1 ATOM 3089 C CA . MET B 2 51 ? -9.609 16.168 -20.565 1.00 30.37 ? 51 MET H CA 1 ATOM 3090 C C . MET B 2 51 ? -11.069 16.548 -20.338 1.00 28.42 ? 51 MET H C 1 ATOM 3091 O O . MET B 2 51 ? -11.680 17.216 -21.174 1.00 32.00 ? 51 MET H O 1 ATOM 3092 C CB . MET B 2 51 ? -8.698 17.402 -20.530 1.00 27.06 ? 51 MET H CB 1 ATOM 3093 C CG . MET B 2 51 ? -8.583 18.098 -19.177 1.00 38.00 ? 51 MET H CG 1 ATOM 3094 S SD . MET B 2 51 ? -9.908 19.271 -18.848 1.00 39.49 ? 51 MET H SD 1 ATOM 3095 C CE . MET B 2 51 ? -9.881 20.253 -20.356 1.00 30.39 ? 51 MET H CE 1 ATOM 3096 N N . LYS B 2 52 ? -11.630 16.089 -19.225 1.00 27.28 ? 52 LYS H N 1 ATOM 3097 C CA . LYS B 2 52 ? -12.997 16.435 -18.841 1.00 33.04 ? 52 LYS H CA 1 ATOM 3098 C C . LYS B 2 52 ? -12.979 17.578 -17.827 1.00 34.92 ? 52 LYS H C 1 ATOM 3099 O O . LYS B 2 52 ? -12.499 17.407 -16.708 1.00 36.71 ? 52 LYS H O 1 ATOM 3100 C CB . LYS B 2 52 ? -13.719 15.212 -18.268 1.00 32.84 ? 52 LYS H CB 1 ATOM 3101 C CG . LYS B 2 52 ? -13.795 14.045 -19.247 1.00 37.79 ? 52 LYS H CG 1 ATOM 3102 C CD . LYS B 2 52 ? -14.363 12.794 -18.600 1.00 40.98 ? 52 LYS H CD 1 ATOM 3103 C CE . LYS B 2 52 ? -14.496 11.675 -19.624 1.00 40.62 ? 52 LYS H CE 1 ATOM 3104 N NZ . LYS B 2 52 ? -14.859 10.368 -19.006 1.00 37.90 ? 52 LYS H NZ 1 ATOM 3105 N N . PRO B 2 53 A -13.499 18.750 -18.224 1.00 36.00 ? 52 PRO H N 1 ATOM 3106 C CA . PRO B 2 53 A -13.408 20.002 -17.460 1.00 39.39 ? 52 PRO H CA 1 ATOM 3107 C C . PRO B 2 53 A -14.020 19.956 -16.061 1.00 40.44 ? 52 PRO H C 1 ATOM 3108 O O . PRO B 2 53 A -13.594 20.735 -15.208 1.00 39.68 ? 52 PRO H O 1 ATOM 3109 C CB . PRO B 2 53 A -14.175 21.000 -18.337 1.00 36.54 ? 52 PRO H CB 1 ATOM 3110 C CG . PRO B 2 53 A -14.076 20.443 -19.713 1.00 41.24 ? 52 PRO H CG 1 ATOM 3111 C CD . PRO B 2 53 A -14.143 18.954 -19.532 1.00 31.33 ? 52 PRO H CD 1 ATOM 3112 N N . ARG B 2 54 ? -14.993 19.076 -15.837 1.00 44.73 ? 53 ARG H N 1 ATOM 3113 C CA . ARG B 2 54 ? -15.702 19.010 -14.559 1.00 44.71 ? 53 ARG H CA 1 ATOM 3114 C C . ARG B 2 54 ? -14.754 18.896 -13.366 1.00 51.89 ? 53 ARG H C 1 ATOM 3115 O O . ARG B 2 54 ? -14.815 19.703 -12.434 1.00 38.11 ? 53 ARG H O 1 ATOM 3116 C CB . ARG B 2 54 ? -16.678 17.831 -14.551 1.00 49.41 ? 53 ARG H CB 1 ATOM 3117 C CG . ARG B 2 54 ? -17.430 17.666 -13.238 1.00 52.48 ? 53 ARG H CG 1 ATOM 3118 C CD . ARG B 2 54 ? -18.472 18.755 -13.056 1.00 72.26 ? 53 ARG H CD 1 ATOM 3119 N NE . ARG B 2 54 ? -19.644 18.527 -13.896 1.00 94.18 ? 53 ARG H NE 1 ATOM 3120 C CZ . ARG B 2 54 ? -20.865 18.287 -13.428 1.00 101.78 ? 53 ARG H CZ 1 ATOM 3121 N NH1 . ARG B 2 54 ? -21.082 18.255 -12.119 1.00 99.84 ? 53 ARG H NH1 1 ATOM 3122 N NH2 . ARG B 2 54 ? -21.872 18.088 -14.268 1.00 102.61 ? 53 ARG H NH2 1 ATOM 3123 N N . TRP B 2 55 ? -13.881 17.894 -13.403 1.00 38.33 ? 54 TRP H N 1 ATOM 3124 C CA . TRP B 2 55 ? -12.903 17.685 -12.341 1.00 38.18 ? 54 TRP H CA 1 ATOM 3125 C C . TRP B 2 55 ? -11.484 17.765 -12.882 1.00 39.26 ? 54 TRP H C 1 ATOM 3126 O O . TRP B 2 55 ? -10.519 17.599 -12.139 1.00 37.49 ? 54 TRP H O 1 ATOM 3127 C CB . TRP B 2 55 ? -13.104 16.326 -11.665 1.00 30.76 ? 54 TRP H CB 1 ATOM 3128 C CG . TRP B 2 55 ? -14.415 16.156 -10.972 1.00 42.31 ? 54 TRP H CG 1 ATOM 3129 C CD1 . TRP B 2 55 ? -15.488 15.438 -11.413 1.00 44.88 ? 54 TRP H CD1 1 ATOM 3130 C CD2 . TRP B 2 55 ? -14.791 16.703 -9.704 1.00 42.17 ? 54 TRP H CD2 1 ATOM 3131 N NE1 . TRP B 2 55 ? -16.512 15.508 -10.500 1.00 49.23 ? 54 TRP H NE1 1 ATOM 3132 C CE2 . TRP B 2 55 ? -16.108 16.278 -9.441 1.00 47.15 ? 54 TRP H CE2 1 ATOM 3133 C CE3 . TRP B 2 55 ? -14.144 17.515 -8.768 1.00 38.76 ? 54 TRP H CE3 1 ATOM 3134 C CZ2 . TRP B 2 55 ? -16.789 16.636 -8.282 1.00 46.40 ? 54 TRP H CZ2 1 ATOM 3135 C CZ3 . TRP B 2 55 ? -14.822 17.869 -7.619 1.00 42.38 ? 54 TRP H CZ3 1 ATOM 3136 C CH2 . TRP B 2 55 ? -16.130 17.430 -7.385 1.00 42.57 ? 54 TRP H CH2 1 ATOM 3137 N N . GLY B 2 56 ? -11.357 18.005 -14.182 1.00 31.91 ? 55 GLY H N 1 ATOM 3138 C CA . GLY B 2 56 ? -10.052 18.012 -14.811 1.00 35.89 ? 55 GLY H CA 1 ATOM 3139 C C . GLY B 2 56 ? -9.495 16.612 -15.007 1.00 38.03 ? 55 GLY H C 1 ATOM 3140 O O . GLY B 2 56 ? -8.284 16.438 -15.162 1.00 32.58 ? 55 GLY H O 1 ATOM 3141 N N . ALA B 2 57 ? -10.377 15.613 -14.994 1.00 28.36 ? 56 ALA H N 1 ATOM 3142 C CA . ALA B 2 57 ? -9.972 14.230 -15.237 1.00 38.15 ? 56 ALA H CA 1 ATOM 3143 C C . ALA B 2 57 ? -9.333 14.101 -16.614 1.00 38.61 ? 56 ALA H C 1 ATOM 3144 O O . ALA B 2 57 ? -9.751 14.763 -17.562 1.00 38.39 ? 56 ALA H O 1 ATOM 3145 C CB . ALA B 2 57 ? -11.163 13.289 -15.113 1.00 32.47 ? 56 ALA H CB 1 ATOM 3146 N N . VAL B 2 58 ? -8.314 13.254 -16.719 1.00 35.36 ? 57 VAL H N 1 ATOM 3147 C CA . VAL B 2 58 ? -7.587 13.108 -17.973 1.00 34.97 ? 57 VAL H CA 1 ATOM 3148 C C . VAL B 2 58 ? -7.341 11.656 -18.354 1.00 37.10 ? 57 VAL H C 1 ATOM 3149 O O . VAL B 2 58 ? -7.388 10.760 -17.518 1.00 32.42 ? 57 VAL H O 1 ATOM 3150 C CB . VAL B 2 58 ? -6.224 13.820 -17.919 1.00 34.49 ? 57 VAL H CB 1 ATOM 3151 C CG1 . VAL B 2 58 ? -6.407 15.334 -17.919 1.00 34.14 ? 57 VAL H CG1 1 ATOM 3152 C CG2 . VAL B 2 58 ? -5.437 13.357 -16.702 1.00 31.61 ? 57 VAL H CG2 1 ATOM 3153 N N . ASN B 2 59 ? -7.079 11.444 -19.636 1.00 30.96 ? 58 ASN H N 1 ATOM 3154 C CA . ASN B 2 59 ? -6.667 10.148 -20.150 1.00 29.68 ? 58 ASN H CA 1 ATOM 3155 C C . ASN B 2 59 ? -5.613 10.400 -21.206 1.00 34.33 ? 58 ASN H C 1 ATOM 3156 O O . ASN B 2 59 ? -5.936 10.869 -22.288 1.00 32.53 ? 58 ASN H O 1 ATOM 3157 C CB . ASN B 2 59 ? -7.858 9.387 -20.736 1.00 31.59 ? 58 ASN H CB 1 ATOM 3158 C CG . ASN B 2 59 ? -7.543 7.930 -21.046 1.00 34.84 ? 58 ASN H CG 1 ATOM 3159 O OD1 . ASN B 2 59 ? -6.446 7.590 -21.495 1.00 32.73 ? 58 ASN H OD1 1 ATOM 3160 N ND2 . ASN B 2 59 ? -8.522 7.060 -20.817 1.00 31.17 ? 58 ASN H ND2 1 ATOM 3161 N N . TYR B 2 60 ? -4.355 10.121 -20.887 1.00 33.51 ? 59 TYR H N 1 ATOM 3162 C CA . TYR B 2 60 ? -3.262 10.411 -21.809 1.00 31.79 ? 59 TYR H CA 1 ATOM 3163 C C . TYR B 2 60 ? -2.943 9.205 -22.684 1.00 41.55 ? 59 TYR H C 1 ATOM 3164 O O . TYR B 2 60 ? -3.007 8.062 -22.225 1.00 34.00 ? 59 TYR H O 1 ATOM 3165 C CB . TYR B 2 60 ? -2.010 10.842 -21.041 1.00 35.95 ? 59 TYR H CB 1 ATOM 3166 C CG . TYR B 2 60 ? -2.187 12.085 -20.193 1.00 41.38 ? 59 TYR H CG 1 ATOM 3167 C CD1 . TYR B 2 60 ? -2.934 13.165 -20.649 1.00 36.31 ? 59 TYR H CD1 1 ATOM 3168 C CD2 . TYR B 2 60 ? -1.607 12.176 -18.933 1.00 43.36 ? 59 TYR H CD2 1 ATOM 3169 C CE1 . TYR B 2 60 ? -3.096 14.304 -19.872 1.00 38.55 ? 59 TYR H CE1 1 ATOM 3170 C CE2 . TYR B 2 60 ? -1.763 13.308 -18.149 1.00 38.83 ? 59 TYR H CE2 1 ATOM 3171 C CZ . TYR B 2 60 ? -2.509 14.368 -18.622 1.00 41.78 ? 59 TYR H CZ 1 ATOM 3172 O OH . TYR B 2 60 ? -2.661 15.493 -17.840 1.00 39.55 ? 59 TYR H OH 1 ATOM 3173 N N . ALA B 2 61 ? -2.603 9.463 -23.944 1.00 33.37 ? 60 ALA H N 1 ATOM 3174 C CA . ALA B 2 61 ? -2.164 8.404 -24.849 1.00 36.69 ? 60 ALA H CA 1 ATOM 3175 C C . ALA B 2 61 ? -0.926 7.727 -24.278 1.00 38.56 ? 60 ALA H C 1 ATOM 3176 O O . ALA B 2 61 ? 0.008 8.405 -23.849 1.00 35.67 ? 60 ALA H O 1 ATOM 3177 C CB . ALA B 2 61 ? -1.877 8.966 -26.236 1.00 33.47 ? 60 ALA H CB 1 ATOM 3178 N N . ARG B 2 62 ? -0.923 6.396 -24.271 1.00 36.26 ? 61 ARG H N 1 ATOM 3179 C CA . ARG B 2 62 ? 0.135 5.631 -23.610 1.00 36.29 ? 61 ARG H CA 1 ATOM 3180 C C . ARG B 2 62 ? 1.534 6.004 -24.089 1.00 46.75 ? 61 ARG H C 1 ATOM 3181 O O . ARG B 2 62 ? 2.474 6.031 -23.297 1.00 38.42 ? 61 ARG H O 1 ATOM 3182 C CB . ARG B 2 62 ? -0.078 4.127 -23.810 1.00 45.94 ? 61 ARG H CB 1 ATOM 3183 C CG . ARG B 2 62 ? 0.904 3.243 -23.059 1.00 65.35 ? 61 ARG H CG 1 ATOM 3184 C CD . ARG B 2 62 ? 0.649 1.768 -23.355 1.00 91.10 ? 61 ARG H CD 1 ATOM 3185 N NE . ARG B 2 62 ? -0.649 1.317 -22.861 1.00 103.97 ? 61 ARG H NE 1 ATOM 3186 C CZ . ARG B 2 62 ? -0.875 0.921 -21.611 1.00 96.56 ? 61 ARG H CZ 1 ATOM 3187 N NH1 . ARG B 2 62 ? -2.090 0.523 -21.247 1.00 62.37 ? 61 ARG H NH1 1 ATOM 3188 N NH2 . ARG B 2 62 ? 0.115 0.917 -20.726 1.00 99.33 ? 61 ARG H NH2 1 ATOM 3189 N N . GLN B 2 63 ? 1.668 6.304 -25.378 1.00 37.80 ? 62 GLN H N 1 ATOM 3190 C CA . GLN B 2 63 ? 2.984 6.567 -25.955 1.00 38.83 ? 62 GLN H CA 1 ATOM 3191 C C . GLN B 2 63 ? 3.491 7.963 -25.595 1.00 38.11 ? 62 GLN H C 1 ATOM 3192 O O . GLN B 2 63 ? 4.623 8.323 -25.917 1.00 47.08 ? 62 GLN H O 1 ATOM 3193 C CB . GLN B 2 63 ? 2.953 6.391 -27.478 1.00 41.32 ? 62 GLN H CB 1 ATOM 3194 C CG . GLN B 2 63 ? 2.104 7.414 -28.224 1.00 44.32 ? 62 GLN H CG 1 ATOM 3195 C CD . GLN B 2 63 ? 0.638 7.023 -28.315 1.00 46.29 ? 62 GLN H CD 1 ATOM 3196 O OE1 . GLN B 2 63 ? 0.148 6.208 -27.532 1.00 47.10 ? 62 GLN H OE1 1 ATOM 3197 N NE2 . GLN B 2 63 ? -0.069 7.603 -29.280 1.00 38.05 ? 62 GLN H NE2 1 ATOM 3198 N N . LEU B 2 64 ? 2.653 8.740 -24.918 1.00 37.66 ? 63 LEU H N 1 ATOM 3199 C CA . LEU B 2 64 ? 3.025 10.080 -24.477 1.00 42.24 ? 63 LEU H CA 1 ATOM 3200 C C . LEU B 2 64 ? 3.103 10.175 -22.959 1.00 64.28 ? 63 LEU H C 1 ATOM 3201 O O . LEU B 2 64 ? 3.189 11.271 -22.405 1.00 67.99 ? 63 LEU H O 1 ATOM 3202 C CB . LEU B 2 64 ? 2.023 11.107 -24.993 1.00 39.31 ? 63 LEU H CB 1 ATOM 3203 C CG . LEU B 2 64 ? 1.979 11.338 -26.500 1.00 46.16 ? 63 LEU H CG 1 ATOM 3204 C CD1 . LEU B 2 64 ? 0.778 12.189 -26.842 1.00 44.80 ? 63 LEU H CD1 1 ATOM 3205 C CD2 . LEU B 2 64 ? 3.265 12.001 -26.971 1.00 42.59 ? 63 LEU H CD2 1 ATOM 3206 N N . GLN B 2 65 ? 3.068 9.028 -22.289 1.00 64.66 ? 64 GLN H N 1 ATOM 3207 C CA . GLN B 2 65 ? 2.992 9.005 -20.833 1.00 70.08 ? 64 GLN H CA 1 ATOM 3208 C C . GLN B 2 65 ? 4.185 9.689 -20.170 1.00 55.45 ? 64 GLN H C 1 ATOM 3209 O O . GLN B 2 65 ? 5.340 9.423 -20.505 1.00 42.39 ? 64 GLN H O 1 ATOM 3210 C CB . GLN B 2 65 ? 2.873 7.566 -20.327 1.00 85.38 ? 64 GLN H CB 1 ATOM 3211 C CG . GLN B 2 65 ? 2.482 7.466 -18.860 1.00 96.78 ? 64 GLN H CG 1 ATOM 3212 C CD . GLN B 2 65 ? 1.184 8.197 -18.544 1.00 97.47 ? 64 GLN H CD 1 ATOM 3213 O OE1 . GLN B 2 65 ? 0.307 8.338 -19.400 1.00 95.56 ? 64 GLN H OE1 1 ATOM 3214 N NE2 . GLN B 2 65 ? 1.059 8.669 -17.307 1.00 95.50 ? 64 GLN H NE2 1 ATOM 3215 N N . GLY B 2 66 ? 3.888 10.582 -19.232 1.00 55.49 ? 65 GLY H N 1 ATOM 3216 C CA . GLY B 2 66 ? 4.919 11.278 -18.486 1.00 54.04 ? 65 GLY H CA 1 ATOM 3217 C C . GLY B 2 66 ? 5.381 12.558 -19.153 1.00 50.01 ? 65 GLY H C 1 ATOM 3218 O O . GLY B 2 66 ? 6.042 13.382 -18.521 1.00 51.50 ? 65 GLY H O 1 ATOM 3219 N N . ARG B 2 67 ? 5.031 12.726 -20.427 1.00 43.13 ? 66 ARG H N 1 ATOM 3220 C CA . ARG B 2 67 ? 5.470 13.883 -21.206 1.00 42.15 ? 66 ARG H CA 1 ATOM 3221 C C . ARG B 2 67 ? 4.396 14.955 -21.345 1.00 39.70 ? 66 ARG H C 1 ATOM 3222 O O . ARG B 2 67 ? 4.703 16.119 -21.603 1.00 37.08 ? 66 ARG H O 1 ATOM 3223 C CB . ARG B 2 67 ? 5.903 13.459 -22.615 1.00 45.97 ? 66 ARG H CB 1 ATOM 3224 C CG . ARG B 2 67 ? 7.143 12.596 -22.705 1.00 54.44 ? 66 ARG H CG 1 ATOM 3225 C CD . ARG B 2 67 ? 7.479 12.343 -24.171 1.00 56.08 ? 66 ARG H CD 1 ATOM 3226 N NE . ARG B 2 67 ? 7.691 13.599 -24.881 1.00 58.05 ? 66 ARG H NE 1 ATOM 3227 C CZ . ARG B 2 67 ? 7.345 13.825 -26.145 1.00 55.12 ? 66 ARG H CZ 1 ATOM 3228 N NH1 . ARG B 2 67 ? 6.761 12.878 -26.866 1.00 58.88 ? 66 ARG H NH1 1 ATOM 3229 N NH2 . ARG B 2 67 ? 7.587 15.009 -26.689 1.00 48.73 ? 66 ARG H NH2 1 ATOM 3230 N N . VAL B 2 68 ? 3.136 14.560 -21.209 1.00 36.96 ? 67 VAL H N 1 ATOM 3231 C CA . VAL B 2 68 ? 2.040 15.468 -21.522 1.00 36.50 ? 67 VAL H CA 1 ATOM 3232 C C . VAL B 2 68 ? 1.201 15.790 -20.285 1.00 39.64 ? 67 VAL H C 1 ATOM 3233 O O . VAL B 2 68 ? 1.058 14.964 -19.384 1.00 39.49 ? 67 VAL H O 1 ATOM 3234 C CB . VAL B 2 68 ? 1.140 14.881 -22.641 1.00 45.48 ? 67 VAL H CB 1 ATOM 3235 C CG1 . VAL B 2 68 ? 0.363 13.670 -22.142 1.00 45.09 ? 67 VAL H CG1 1 ATOM 3236 C CG2 . VAL B 2 68 ? 0.202 15.940 -23.192 1.00 41.69 ? 67 VAL H CG2 1 ATOM 3237 N N . THR B 2 69 ? 0.672 17.009 -20.241 1.00 31.57 ? 68 THR H N 1 ATOM 3238 C CA . THR B 2 69 ? -0.197 17.446 -19.154 1.00 33.84 ? 68 THR H CA 1 ATOM 3239 C C . THR B 2 69 ? -1.373 18.228 -19.724 1.00 40.93 ? 68 THR H C 1 ATOM 3240 O O . THR B 2 69 ? -1.191 19.095 -20.581 1.00 47.52 ? 68 THR H O 1 ATOM 3241 C CB . THR B 2 69 ? 0.559 18.325 -18.137 1.00 36.53 ? 68 THR H CB 1 ATOM 3242 O OG1 . THR B 2 69 ? 1.691 17.608 -17.626 1.00 41.62 ? 68 THR H OG1 1 ATOM 3243 C CG2 . THR B 2 69 ? -0.353 18.724 -16.981 1.00 37.86 ? 68 THR H CG2 1 ATOM 3244 N N . MET B 2 70 ? -2.580 17.920 -19.260 1.00 33.67 ? 69 MET H N 1 ATOM 3245 C CA . MET B 2 70 ? -3.765 18.636 -19.723 1.00 36.72 ? 69 MET H CA 1 ATOM 3246 C C . MET B 2 70 ? -4.545 19.209 -18.551 1.00 39.15 ? 69 MET H C 1 ATOM 3247 O O . MET B 2 70 ? -4.943 18.485 -17.641 1.00 37.97 ? 69 MET H O 1 ATOM 3248 C CB . MET B 2 70 ? -4.662 17.722 -20.557 1.00 28.79 ? 69 MET H CB 1 ATOM 3249 C CG . MET B 2 70 ? -4.023 17.252 -21.851 1.00 25.95 ? 69 MET H CG 1 ATOM 3250 S SD . MET B 2 70 ? -5.012 15.998 -22.690 1.00 32.92 ? 69 MET H SD 1 ATOM 3251 C CE . MET B 2 70 ? -3.964 15.650 -24.103 1.00 31.40 ? 69 MET H CE 1 ATOM 3252 N N . THR B 2 71 ? -4.752 20.519 -18.579 1.00 38.63 ? 70 THR H N 1 ATOM 3253 C CA . THR B 2 71 ? -5.463 21.210 -17.513 1.00 33.84 ? 70 THR H CA 1 ATOM 3254 C C . THR B 2 71 ? -6.543 22.109 -18.099 1.00 40.60 ? 70 THR H C 1 ATOM 3255 O O . THR B 2 71 ? -6.675 22.218 -19.319 1.00 34.61 ? 70 THR H O 1 ATOM 3256 C CB . THR B 2 71 ? -4.506 22.055 -16.649 1.00 37.77 ? 70 THR H CB 1 ATOM 3257 O OG1 . THR B 2 71 ? -3.755 22.938 -17.493 1.00 38.13 ? 70 THR H OG1 1 ATOM 3258 C CG2 . THR B 2 71 ? -3.543 21.160 -15.878 1.00 37.79 ? 70 THR H CG2 1 ATOM 3259 N N . ARG B 2 72 ? -7.316 22.752 -17.230 1.00 42.55 ? 71 ARG H N 1 ATOM 3260 C CA . ARG B 2 72 ? -8.334 23.689 -17.683 1.00 31.83 ? 71 ARG H CA 1 ATOM 3261 C C . ARG B 2 72 ? -8.566 24.795 -16.660 1.00 43.29 ? 71 ARG H C 1 ATOM 3262 O O . ARG B 2 72 ? -8.308 24.623 -15.467 1.00 41.06 ? 71 ARG H O 1 ATOM 3263 C CB . ARG B 2 72 ? -9.653 22.962 -17.977 1.00 32.99 ? 71 ARG H CB 1 ATOM 3264 C CG . ARG B 2 72 ? -10.613 22.829 -16.785 1.00 40.90 ? 71 ARG H CG 1 ATOM 3265 C CD . ARG B 2 72 ? -10.100 21.864 -15.717 1.00 36.87 ? 71 ARG H CD 1 ATOM 3266 N NE . ARG B 2 72 ? -11.100 21.614 -14.679 1.00 34.29 ? 71 ARG H NE 1 ATOM 3267 C CZ . ARG B 2 72 ? -10.815 21.241 -13.435 1.00 39.77 ? 71 ARG H CZ 1 ATOM 3268 N NH1 . ARG B 2 72 ? -11.792 21.041 -12.558 1.00 33.63 ? 71 ARG H NH1 1 ATOM 3269 N NH2 . ARG B 2 72 ? -9.553 21.075 -13.062 1.00 37.85 ? 71 ARG H NH2 1 ATOM 3270 N N . ASP B 2 73 ? -9.031 25.938 -17.149 1.00 39.87 ? 72 ASP H N 1 ATOM 3271 C CA . ASP B 2 73 ? -9.496 27.016 -16.294 1.00 41.97 ? 72 ASP H CA 1 ATOM 3272 C C . ASP B 2 73 ? -10.999 27.154 -16.486 1.00 49.85 ? 72 ASP H C 1 ATOM 3273 O O . ASP B 2 73 ? -11.464 27.499 -17.574 1.00 43.83 ? 72 ASP H O 1 ATOM 3274 C CB . ASP B 2 73 ? -8.783 28.327 -16.619 1.00 40.01 ? 72 ASP H CB 1 ATOM 3275 C CG . ASP B 2 73 ? -9.098 29.422 -15.620 1.00 52.03 ? 72 ASP H CG 1 ATOM 3276 O OD1 . ASP B 2 73 ? -8.371 29.534 -14.612 1.00 60.18 ? 72 ASP H OD1 1 ATOM 3277 O OD2 . ASP B 2 73 ? -10.075 30.167 -15.838 1.00 52.85 ? 72 ASP H OD2 1 ATOM 3278 N N . MET B 2 74 ? -11.754 26.870 -15.431 1.00 39.69 ? 73 MET H N 1 ATOM 3279 C CA . MET B 2 74 ? -13.209 26.821 -15.520 1.00 46.14 ? 73 MET H CA 1 ATOM 3280 C C . MET B 2 74 ? -13.838 28.176 -15.817 1.00 48.50 ? 73 MET H C 1 ATOM 3281 O O . MET B 2 74 ? -14.822 28.258 -16.550 1.00 53.06 ? 73 MET H O 1 ATOM 3282 C CB . MET B 2 74 ? -13.796 26.251 -14.225 1.00 47.26 ? 73 MET H CB 1 ATOM 3283 C CG . MET B 2 74 ? -13.551 24.763 -14.065 1.00 56.40 ? 73 MET H CG 1 ATOM 3284 S SD . MET B 2 74 ? -14.107 23.863 -15.525 1.00 66.97 ? 73 MET H SD 1 ATOM 3285 C CE . MET B 2 74 ? -15.882 24.040 -15.364 1.00 78.64 ? 73 MET H CE 1 ATOM 3286 N N . TYR B 2 75 ? -13.275 29.237 -15.249 1.00 47.19 ? 74 TYR H N 1 ATOM 3287 C CA . TYR B 2 75 ? -13.849 30.569 -15.414 1.00 55.89 ? 74 TYR H CA 1 ATOM 3288 C C . TYR B 2 75 ? -13.707 31.082 -16.845 1.00 51.50 ? 74 TYR H C 1 ATOM 3289 O O . TYR B 2 75 ? -14.649 31.638 -17.406 1.00 53.90 ? 74 TYR H O 1 ATOM 3290 C CB . TYR B 2 75 ? -13.205 31.560 -14.442 1.00 60.84 ? 74 TYR H CB 1 ATOM 3291 C CG . TYR B 2 75 ? -13.695 32.978 -14.628 1.00 78.91 ? 74 TYR H CG 1 ATOM 3292 C CD1 . TYR B 2 75 ? -14.945 33.367 -14.165 1.00 87.33 ? 74 TYR H CD1 1 ATOM 3293 C CD2 . TYR B 2 75 ? -12.909 33.928 -15.271 1.00 86.92 ? 74 TYR H CD2 1 ATOM 3294 C CE1 . TYR B 2 75 ? -15.400 34.663 -14.336 1.00 95.11 ? 74 TYR H CE1 1 ATOM 3295 C CE2 . TYR B 2 75 ? -13.355 35.226 -15.446 1.00 92.53 ? 74 TYR H CE2 1 ATOM 3296 C CZ . TYR B 2 75 ? -14.601 35.588 -14.976 1.00 95.01 ? 74 TYR H CZ 1 ATOM 3297 O OH . TYR B 2 75 ? -15.050 36.879 -15.146 1.00 93.92 ? 74 TYR H OH 1 ATOM 3298 N N . SER B 2 76 ? -12.529 30.891 -17.430 1.00 45.90 ? 75 SER H N 1 ATOM 3299 C CA . SER B 2 76 ? -12.252 31.386 -18.774 1.00 50.80 ? 75 SER H CA 1 ATOM 3300 C C . SER B 2 76 ? -12.609 30.354 -19.842 1.00 44.23 ? 75 SER H C 1 ATOM 3301 O O . SER B 2 76 ? -12.461 30.616 -21.038 1.00 50.00 ? 75 SER H O 1 ATOM 3302 C CB . SER B 2 76 ? -10.780 31.782 -18.900 1.00 48.77 ? 75 SER H CB 1 ATOM 3303 O OG . SER B 2 76 ? -9.935 30.657 -18.723 1.00 45.10 ? 75 SER H OG 1 ATOM 3304 N N . GLU B 2 77 ? -13.078 29.190 -19.396 1.00 39.31 ? 76 GLU H N 1 ATOM 3305 C CA . GLU B 2 77 ? -13.457 28.086 -20.279 1.00 37.02 ? 76 GLU H CA 1 ATOM 3306 C C . GLU B 2 77 ? -12.337 27.737 -21.248 1.00 38.23 ? 76 GLU H C 1 ATOM 3307 O O . GLU B 2 77 ? -12.567 27.548 -22.444 1.00 37.36 ? 76 GLU H O 1 ATOM 3308 C CB . GLU B 2 77 ? -14.736 28.424 -21.046 1.00 47.51 ? 76 GLU H CB 1 ATOM 3309 C CG . GLU B 2 77 ? -15.955 28.608 -20.153 1.00 59.41 ? 76 GLU H CG 1 ATOM 3310 C CD . GLU B 2 77 ? -17.221 28.892 -20.938 1.00 68.67 ? 76 GLU H CD 1 ATOM 3311 O OE1 . GLU B 2 77 ? -17.128 29.491 -22.030 1.00 74.69 ? 76 GLU H OE1 1 ATOM 3312 O OE2 . GLU B 2 77 ? -18.311 28.510 -20.465 1.00 73.76 ? 76 GLU H OE2 1 ATOM 3313 N N . THR B 2 78 ? -11.121 27.653 -20.721 1.00 32.15 ? 77 THR H N 1 ATOM 3314 C CA . THR B 2 78 ? -9.952 27.411 -21.552 1.00 40.49 ? 77 THR H CA 1 ATOM 3315 C C . THR B 2 78 ? -9.248 26.122 -21.154 1.00 42.76 ? 77 THR H C 1 ATOM 3316 O O . THR B 2 78 ? -8.969 25.893 -19.978 1.00 40.95 ? 77 THR H O 1 ATOM 3317 C CB . THR B 2 78 ? -8.957 28.586 -21.466 1.00 31.74 ? 77 THR H CB 1 ATOM 3318 O OG1 . THR B 2 78 ? -9.649 29.816 -21.709 1.00 35.94 ? 77 THR H OG1 1 ATOM 3319 C CG2 . THR B 2 78 ? -7.848 28.425 -22.488 1.00 39.90 ? 77 THR H CG2 1 ATOM 3320 N N . ALA B 2 79 ? -8.976 25.280 -22.146 1.00 35.85 ? 78 ALA H N 1 ATOM 3321 C CA . ALA B 2 79 ? -8.207 24.061 -21.940 1.00 40.57 ? 78 ALA H CA 1 ATOM 3322 C C . ALA B 2 79 ? -6.748 24.320 -22.281 1.00 43.05 ? 78 ALA H C 1 ATOM 3323 O O . ALA B 2 79 ? -6.445 25.100 -23.183 1.00 37.55 ? 78 ALA H O 1 ATOM 3324 C CB . ALA B 2 79 ? -8.760 22.923 -22.789 1.00 32.73 ? 78 ALA H CB 1 ATOM 3325 N N . PHE B 2 80 ? -5.845 23.665 -21.562 1.00 33.81 ? 79 PHE H N 1 ATOM 3326 C CA . PHE B 2 80 ? -4.422 23.894 -21.766 1.00 27.96 ? 79 PHE H CA 1 ATOM 3327 C C . PHE B 2 80 ? -3.676 22.593 -22.020 1.00 38.40 ? 79 PHE H C 1 ATOM 3328 O O . PHE B 2 80 ? -3.966 21.564 -21.407 1.00 35.98 ? 79 PHE H O 1 ATOM 3329 C CB . PHE B 2 80 ? -3.817 24.610 -20.560 1.00 32.29 ? 79 PHE H CB 1 ATOM 3330 C CG . PHE B 2 80 ? -4.417 25.960 -20.289 1.00 39.68 ? 79 PHE H CG 1 ATOM 3331 C CD1 . PHE B 2 80 ? -5.607 26.079 -19.583 1.00 40.21 ? 79 PHE H CD1 1 ATOM 3332 C CD2 . PHE B 2 80 ? -3.785 27.112 -20.726 1.00 41.21 ? 79 PHE H CD2 1 ATOM 3333 C CE1 . PHE B 2 80 ? -6.155 27.324 -19.319 1.00 38.64 ? 79 PHE H CE1 1 ATOM 3334 C CE2 . PHE B 2 80 ? -4.328 28.359 -20.468 1.00 47.80 ? 79 PHE H CE2 1 ATOM 3335 C CZ . PHE B 2 80 ? -5.515 28.464 -19.762 1.00 48.91 ? 79 PHE H CZ 1 ATOM 3336 N N . LEU B 2 81 ? -2.715 22.649 -22.934 1.00 38.65 ? 80 LEU H N 1 ATOM 3337 C CA . LEU B 2 81 ? -1.886 21.495 -23.247 1.00 32.40 ? 80 LEU H CA 1 ATOM 3338 C C . LEU B 2 81 ? -0.424 21.814 -22.976 1.00 37.04 ? 80 LEU H C 1 ATOM 3339 O O . LEU B 2 81 ? 0.080 22.851 -23.405 1.00 43.74 ? 80 LEU H O 1 ATOM 3340 C CB . LEU B 2 81 ? -2.073 21.072 -24.708 1.00 34.91 ? 80 LEU H CB 1 ATOM 3341 C CG . LEU B 2 81 ? -1.273 19.853 -25.170 1.00 42.03 ? 80 LEU H CG 1 ATOM 3342 C CD1 . LEU B 2 81 ? -1.772 18.617 -24.457 1.00 45.36 ? 80 LEU H CD1 1 ATOM 3343 C CD2 . LEU B 2 81 ? -1.361 19.670 -26.679 1.00 44.85 ? 80 LEU H CD2 1 ATOM 3344 N N . GLU B 2 82 ? 0.251 20.929 -22.253 1.00 34.23 ? 81 GLU H N 1 ATOM 3345 C CA . GLU B 2 82 ? 1.691 21.044 -22.075 1.00 35.93 ? 81 GLU H CA 1 ATOM 3346 C C . GLU B 2 82 ? 2.379 19.769 -22.553 1.00 35.28 ? 81 GLU H C 1 ATOM 3347 O O . GLU B 2 82 ? 1.933 18.665 -22.248 1.00 40.85 ? 81 GLU H O 1 ATOM 3348 C CB . GLU B 2 82 ? 2.043 21.327 -20.613 1.00 40.62 ? 81 GLU H CB 1 ATOM 3349 C CG . GLU B 2 82 ? 3.538 21.450 -20.357 1.00 51.92 ? 81 GLU H CG 1 ATOM 3350 C CD . GLU B 2 82 ? 3.857 21.990 -18.974 1.00 65.16 ? 81 GLU H CD 1 ATOM 3351 O OE1 . GLU B 2 82 ? 3.118 22.874 -18.490 1.00 67.78 ? 81 GLU H OE1 1 ATOM 3352 O OE2 . GLU B 2 82 ? 4.849 21.529 -18.371 1.00 69.18 ? 81 GLU H OE2 1 ATOM 3353 N N . LEU B 2 83 ? 3.453 19.930 -23.321 1.00 32.06 ? 82 LEU H N 1 ATOM 3354 C CA . LEU B 2 83 ? 4.237 18.796 -23.799 1.00 29.84 ? 82 LEU H CA 1 ATOM 3355 C C . LEU B 2 83 ? 5.705 19.049 -23.486 1.00 36.41 ? 82 LEU H C 1 ATOM 3356 O O . LEU B 2 83 ? 6.269 20.061 -23.900 1.00 37.55 ? 82 LEU H O 1 ATOM 3357 C CB . LEU B 2 83 ? 4.027 18.576 -25.303 1.00 32.63 ? 82 LEU H CB 1 ATOM 3358 C CG . LEU B 2 83 ? 4.617 17.304 -25.923 1.00 33.55 ? 82 LEU H CG 1 ATOM 3359 C CD1 . LEU B 2 83 ? 4.016 16.051 -25.300 1.00 26.83 ? 82 LEU H CD1 1 ATOM 3360 C CD2 . LEU B 2 83 ? 4.410 17.294 -27.433 1.00 37.58 ? 82 LEU H CD2 1 ATOM 3361 N N . ARG B 2 84 A 6.314 18.133 -22.740 1.00 39.54 ? 82 ARG H N 1 ATOM 3362 C CA . ARG B 2 84 A 7.693 18.295 -22.295 1.00 43.54 ? 82 ARG H CA 1 ATOM 3363 C C . ARG B 2 84 A 8.673 17.495 -23.152 1.00 43.84 ? 82 ARG H C 1 ATOM 3364 O O . ARG B 2 84 A 8.267 16.635 -23.934 1.00 40.42 ? 82 ARG H O 1 ATOM 3365 C CB . ARG B 2 84 A 7.821 17.881 -20.826 1.00 40.00 ? 82 ARG H CB 1 ATOM 3366 C CG . ARG B 2 84 A 7.064 18.787 -19.866 1.00 39.54 ? 82 ARG H CG 1 ATOM 3367 C CD . ARG B 2 84 A 7.078 18.246 -18.436 1.00 42.45 ? 82 ARG H CD 1 ATOM 3368 N NE . ARG B 2 84 A 6.256 17.047 -18.298 1.00 46.00 ? 82 ARG H NE 1 ATOM 3369 C CZ . ARG B 2 84 A 4.928 17.055 -18.224 1.00 47.29 ? 82 ARG H CZ 1 ATOM 3370 N NH1 . ARG B 2 84 A 4.262 18.202 -18.278 1.00 40.82 ? 82 ARG H NH1 1 ATOM 3371 N NH2 . ARG B 2 84 A 4.263 15.915 -18.100 1.00 49.12 ? 82 ARG H NH2 1 ATOM 3372 N N . SER B 2 85 B 9.961 17.795 -22.995 1.00 42.25 ? 82 SER H N 1 ATOM 3373 C CA . SER B 2 85 B 11.038 17.074 -23.672 1.00 44.71 ? 82 SER H CA 1 ATOM 3374 C C . SER B 2 85 B 10.806 16.942 -25.174 1.00 46.71 ? 82 SER H C 1 ATOM 3375 O O . SER B 2 85 B 10.770 15.834 -25.709 1.00 46.49 ? 82 SER H O 1 ATOM 3376 C CB . SER B 2 85 B 11.215 15.687 -23.050 1.00 47.89 ? 82 SER H CB 1 ATOM 3377 O OG . SER B 2 85 B 11.593 15.789 -21.689 1.00 55.23 ? 82 SER H OG 1 ATOM 3378 N N . LEU B 2 86 C 10.650 18.076 -25.847 1.00 47.81 ? 82 LEU H N 1 ATOM 3379 C CA . LEU B 2 86 C 10.348 18.084 -27.274 1.00 46.72 ? 82 LEU H CA 1 ATOM 3380 C C . LEU B 2 86 C 11.517 17.588 -28.119 1.00 49.35 ? 82 LEU H C 1 ATOM 3381 O O . LEU B 2 86 C 12.680 17.836 -27.796 1.00 50.49 ? 82 LEU H O 1 ATOM 3382 C CB . LEU B 2 86 C 9.948 19.491 -27.722 1.00 45.06 ? 82 LEU H CB 1 ATOM 3383 C CG . LEU B 2 86 C 8.654 20.041 -27.122 1.00 46.05 ? 82 LEU H CG 1 ATOM 3384 C CD1 . LEU B 2 86 C 8.512 21.528 -27.413 1.00 41.80 ? 82 LEU H CD1 1 ATOM 3385 C CD2 . LEU B 2 86 C 7.459 19.269 -27.656 1.00 35.14 ? 82 LEU H CD2 1 ATOM 3386 N N . THR B 2 87 ? 11.194 16.869 -29.192 1.00 50.59 ? 83 THR H N 1 ATOM 3387 C CA . THR B 2 87 ? 12.170 16.492 -30.214 1.00 46.20 ? 83 THR H CA 1 ATOM 3388 C C . THR B 2 87 ? 11.595 16.807 -31.592 1.00 45.59 ? 83 THR H C 1 ATOM 3389 O O . THR B 2 87 ? 10.494 17.348 -31.696 1.00 45.18 ? 83 THR H O 1 ATOM 3390 C CB . THR B 2 87 ? 12.543 14.994 -30.156 1.00 47.58 ? 83 THR H CB 1 ATOM 3391 O OG1 . THR B 2 87 ? 11.475 14.211 -30.704 1.00 45.37 ? 83 THR H OG1 1 ATOM 3392 C CG2 . THR B 2 87 ? 12.828 14.548 -28.722 1.00 44.34 ? 83 THR H CG2 1 ATOM 3393 N N . SER B 2 88 ? 12.334 16.457 -32.642 1.00 41.82 ? 84 SER H N 1 ATOM 3394 C CA . SER B 2 88 ? 11.880 16.662 -34.018 1.00 51.39 ? 84 SER H CA 1 ATOM 3395 C C . SER B 2 88 ? 10.527 16.005 -34.285 1.00 52.56 ? 84 SER H C 1 ATOM 3396 O O . SER B 2 88 ? 9.709 16.534 -35.038 1.00 49.97 ? 84 SER H O 1 ATOM 3397 C CB . SER B 2 88 ? 12.912 16.118 -35.009 1.00 51.04 ? 84 SER H CB 1 ATOM 3398 O OG . SER B 2 88 ? 14.166 16.753 -34.850 1.00 64.58 ? 84 SER H OG 1 ATOM 3399 N N . ASP B 2 89 ? 10.301 14.853 -33.658 1.00 44.29 ? 85 ASP H N 1 ATOM 3400 C CA . ASP B 2 89 ? 9.088 14.066 -33.876 1.00 45.64 ? 85 ASP H CA 1 ATOM 3401 C C . ASP B 2 89 ? 7.828 14.767 -33.379 1.00 42.63 ? 85 ASP H C 1 ATOM 3402 O O . ASP B 2 89 ? 6.715 14.377 -33.731 1.00 45.81 ? 85 ASP H O 1 ATOM 3403 C CB . ASP B 2 89 ? 9.212 12.703 -33.192 1.00 50.28 ? 85 ASP H CB 1 ATOM 3404 C CG . ASP B 2 89 ? 10.370 11.887 -33.727 1.00 69.15 ? 85 ASP H CG 1 ATOM 3405 O OD1 . ASP B 2 89 ? 10.658 11.983 -34.939 1.00 72.50 ? 85 ASP H OD1 1 ATOM 3406 O OD2 . ASP B 2 89 ? 10.995 11.152 -32.933 1.00 82.40 ? 85 ASP H OD2 1 ATOM 3407 N N . ASP B 2 90 ? 8.006 15.797 -32.558 1.00 36.95 ? 86 ASP H N 1 ATOM 3408 C CA . ASP B 2 90 ? 6.877 16.542 -32.012 1.00 39.02 ? 86 ASP H CA 1 ATOM 3409 C C . ASP B 2 90 ? 6.432 17.673 -32.940 1.00 42.22 ? 86 ASP H C 1 ATOM 3410 O O . ASP B 2 90 ? 5.413 18.321 -32.698 1.00 38.62 ? 86 ASP H O 1 ATOM 3411 C CB . ASP B 2 90 ? 7.234 17.096 -30.634 1.00 40.56 ? 86 ASP H CB 1 ATOM 3412 C CG . ASP B 2 90 ? 7.505 15.999 -29.621 1.00 44.78 ? 86 ASP H CG 1 ATOM 3413 O OD1 . ASP B 2 90 ? 6.656 15.093 -29.484 1.00 39.69 ? 86 ASP H OD1 1 ATOM 3414 O OD2 . ASP B 2 90 ? 8.570 16.034 -28.969 1.00 46.07 ? 86 ASP H OD2 1 ATOM 3415 N N . THR B 2 91 ? 7.197 17.910 -34.001 1.00 37.57 ? 87 THR H N 1 ATOM 3416 C CA . THR B 2 91 ? 6.825 18.916 -34.994 1.00 46.17 ? 87 THR H CA 1 ATOM 3417 C C . THR B 2 91 ? 5.514 18.527 -35.668 1.00 42.38 ? 87 THR H C 1 ATOM 3418 O O . THR B 2 91 ? 5.417 17.463 -36.284 1.00 42.10 ? 87 THR H O 1 ATOM 3419 C CB . THR B 2 91 ? 7.919 19.096 -36.059 1.00 44.26 ? 87 THR H CB 1 ATOM 3420 O OG1 . THR B 2 91 ? 9.088 19.656 -35.448 1.00 51.46 ? 87 THR H OG1 1 ATOM 3421 C CG2 . THR B 2 91 ? 7.437 20.022 -37.169 1.00 48.19 ? 87 THR H CG2 1 ATOM 3422 N N . ALA B 2 92 ? 4.513 19.394 -35.544 1.00 39.27 ? 88 ALA H N 1 ATOM 3423 C CA . ALA B 2 92 ? 3.161 19.092 -36.003 1.00 43.91 ? 88 ALA H CA 1 ATOM 3424 C C . ALA B 2 92 ? 2.242 20.292 -35.837 1.00 39.63 ? 88 ALA H C 1 ATOM 3425 O O . ALA B 2 92 ? 2.628 21.309 -35.261 1.00 41.60 ? 88 ALA H O 1 ATOM 3426 C CB . ALA B 2 92 ? 2.592 17.897 -35.237 1.00 41.93 ? 88 ALA H CB 1 ATOM 3427 N N . VAL B 2 93 ? 1.020 20.162 -36.342 1.00 37.84 ? 89 VAL H N 1 ATOM 3428 C CA . VAL B 2 93 ? -0.032 21.124 -36.039 1.00 38.15 ? 89 VAL H CA 1 ATOM 3429 C C . VAL B 2 93 ? -0.937 20.523 -34.967 1.00 39.34 ? 89 VAL H C 1 ATOM 3430 O O . VAL B 2 93 ? -1.489 19.437 -35.150 1.00 35.44 ? 89 VAL H O 1 ATOM 3431 C CB . VAL B 2 93 ? -0.868 21.493 -37.277 1.00 36.19 ? 89 VAL H CB 1 ATOM 3432 C CG1 . VAL B 2 93 ? -1.835 22.620 -36.933 1.00 32.03 ? 89 VAL H CG1 1 ATOM 3433 C CG2 . VAL B 2 93 ? 0.036 21.892 -38.445 1.00 35.14 ? 89 VAL H CG2 1 ATOM 3434 N N . TYR B 2 94 ? -1.078 21.222 -33.845 1.00 29.96 ? 90 TYR H N 1 ATOM 3435 C CA . TYR B 2 94 ? -1.836 20.698 -32.716 1.00 36.30 ? 90 TYR H CA 1 ATOM 3436 C C . TYR B 2 94 ? -3.265 21.238 -32.705 1.00 39.85 ? 90 TYR H C 1 ATOM 3437 O O . TYR B 2 94 ? -3.486 22.444 -32.830 1.00 42.13 ? 90 TYR H O 1 ATOM 3438 C CB . TYR B 2 94 ? -1.116 21.025 -31.400 1.00 33.96 ? 90 TYR H CB 1 ATOM 3439 C CG . TYR B 2 94 ? 0.168 20.240 -31.220 1.00 36.91 ? 90 TYR H CG 1 ATOM 3440 C CD1 . TYR B 2 94 ? 1.315 20.570 -31.933 1.00 36.80 ? 90 TYR H CD1 1 ATOM 3441 C CD2 . TYR B 2 94 ? 0.229 19.160 -30.348 1.00 33.55 ? 90 TYR H CD2 1 ATOM 3442 C CE1 . TYR B 2 94 ? 2.487 19.848 -31.782 1.00 32.07 ? 90 TYR H CE1 1 ATOM 3443 C CE2 . TYR B 2 94 ? 1.396 18.434 -30.188 1.00 35.22 ? 90 TYR H CE2 1 ATOM 3444 C CZ . TYR B 2 94 ? 2.523 18.783 -30.908 1.00 37.20 ? 90 TYR H CZ 1 ATOM 3445 O OH . TYR B 2 94 ? 3.688 18.061 -30.754 1.00 37.01 ? 90 TYR H OH 1 ATOM 3446 N N . PHE B 2 95 ? -4.230 20.332 -32.568 1.00 29.13 ? 91 PHE H N 1 ATOM 3447 C CA . PHE B 2 95 ? -5.646 20.690 -32.578 1.00 31.83 ? 91 PHE H CA 1 ATOM 3448 C C . PHE B 2 95 ? -6.333 20.330 -31.266 1.00 39.31 ? 91 PHE H C 1 ATOM 3449 O O . PHE B 2 95 ? -6.023 19.304 -30.660 1.00 35.39 ? 91 PHE H O 1 ATOM 3450 C CB . PHE B 2 95 ? -6.378 19.981 -33.724 1.00 29.59 ? 91 PHE H CB 1 ATOM 3451 C CG . PHE B 2 95 ? -5.991 20.460 -35.099 1.00 37.24 ? 91 PHE H CG 1 ATOM 3452 C CD1 . PHE B 2 95 ? -6.623 21.555 -35.669 1.00 30.44 ? 91 PHE H CD1 1 ATOM 3453 C CD2 . PHE B 2 95 ? -5.018 19.799 -35.831 1.00 39.92 ? 91 PHE H CD2 1 ATOM 3454 C CE1 . PHE B 2 95 ? -6.279 21.993 -36.937 1.00 33.63 ? 91 PHE H CE1 1 ATOM 3455 C CE2 . PHE B 2 95 ? -4.669 20.227 -37.103 1.00 35.64 ? 91 PHE H CE2 1 ATOM 3456 C CZ . PHE B 2 95 ? -5.299 21.326 -37.656 1.00 39.02 ? 91 PHE H CZ 1 ATOM 3457 N N . CYS B 2 96 ? -7.270 21.167 -30.829 1.00 28.73 ? 92 CYS H N 1 ATOM 3458 C CA . CYS B 2 96 ? -8.201 20.752 -29.786 1.00 30.30 ? 92 CYS H CA 1 ATOM 3459 C C . CYS B 2 96 ? -9.538 20.439 -30.450 1.00 33.82 ? 92 CYS H C 1 ATOM 3460 O O . CYS B 2 96 ? -9.923 21.098 -31.418 1.00 31.55 ? 92 CYS H O 1 ATOM 3461 C CB . CYS B 2 96 ? -8.351 21.822 -28.695 1.00 38.82 ? 92 CYS H CB 1 ATOM 3462 S SG . CYS B 2 96 ? -9.041 23.413 -29.216 1.00 48.18 ? 92 CYS H SG 1 ATOM 3463 N N . THR B 2 97 ? -10.226 19.411 -29.959 1.00 32.34 ? 93 THR H N 1 ATOM 3464 C CA . THR B 2 97 ? -11.481 18.976 -30.570 1.00 27.42 ? 93 THR H CA 1 ATOM 3465 C C . THR B 2 97 ? -12.548 18.631 -29.541 1.00 30.36 ? 93 THR H C 1 ATOM 3466 O O . THR B 2 97 ? -12.248 18.350 -28.383 1.00 34.71 ? 93 THR H O 1 ATOM 3467 C CB . THR B 2 97 ? -11.290 17.731 -31.477 1.00 39.30 ? 93 THR H CB 1 ATOM 3468 O OG1 . THR B 2 97 ? -10.890 16.610 -30.682 1.00 35.90 ? 93 THR H OG1 1 ATOM 3469 C CG2 . THR B 2 97 ? -10.253 17.983 -32.549 1.00 30.10 ? 93 THR H CG2 1 ATOM 3470 N N . ARG B 2 98 ? -13.800 18.645 -29.982 1.00 31.99 ? 94 ARG H N 1 ATOM 3471 C CA . ARG B 2 98 ? -14.915 18.235 -29.139 1.00 31.53 ? 94 ARG H CA 1 ATOM 3472 C C . ARG B 2 98 ? -15.883 17.405 -29.968 1.00 36.95 ? 94 ARG H C 1 ATOM 3473 O O . ARG B 2 98 ? -16.085 17.677 -31.153 1.00 32.08 ? 94 ARG H O 1 ATOM 3474 C CB . ARG B 2 98 ? -15.633 19.447 -28.542 1.00 29.66 ? 94 ARG H CB 1 ATOM 3475 C CG . ARG B 2 98 ? -16.468 19.121 -27.312 1.00 38.16 ? 94 ARG H CG 1 ATOM 3476 C CD . ARG B 2 98 ? -17.719 19.985 -27.227 1.00 32.00 ? 94 ARG H CD 1 ATOM 3477 N NE . ARG B 2 98 ? -18.748 19.547 -28.166 1.00 32.34 ? 94 ARG H NE 1 ATOM 3478 C CZ . ARG B 2 98 ? -19.961 20.086 -28.255 1.00 37.11 ? 94 ARG H CZ 1 ATOM 3479 N NH1 . ARG B 2 98 ? -20.302 21.092 -27.459 1.00 39.23 ? 94 ARG H NH1 1 ATOM 3480 N NH2 . ARG B 2 98 ? -20.834 19.621 -29.141 1.00 30.34 ? 94 ARG H NH2 1 ATOM 3481 N N . GLY B 2 99 ? -16.472 16.390 -29.347 1.00 30.37 ? 95 GLY H N 1 ATOM 3482 C CA . GLY B 2 99 ? -17.438 15.544 -30.020 1.00 27.88 ? 95 GLY H CA 1 ATOM 3483 C C . GLY B 2 99 ? -18.650 16.315 -30.507 1.00 39.10 ? 95 GLY H C 1 ATOM 3484 O O . GLY B 2 99 ? -18.973 17.387 -29.987 1.00 38.13 ? 95 GLY H O 1 ATOM 3485 N N . LYS B 2 100 ? -19.321 15.763 -31.513 1.00 27.81 ? 96 LYS H N 1 ATOM 3486 C CA . LYS B 2 100 ? -20.516 16.377 -32.082 1.00 31.83 ? 96 LYS H CA 1 ATOM 3487 C C . LYS B 2 100 ? -21.690 16.289 -31.115 1.00 34.98 ? 96 LYS H C 1 ATOM 3488 O O . LYS B 2 100 ? -22.399 17.270 -30.885 1.00 32.92 ? 96 LYS H O 1 ATOM 3489 C CB . LYS B 2 100 ? -20.880 15.703 -33.408 1.00 34.09 ? 96 LYS H CB 1 ATOM 3490 C CG . LYS B 2 100 ? -22.294 15.984 -33.887 1.00 40.37 ? 96 LYS H CG 1 ATOM 3491 C CD . LYS B 2 100 ? -22.616 15.184 -35.141 1.00 38.55 ? 96 LYS H CD 1 ATOM 3492 C CE . LYS B 2 100 ? -24.095 15.258 -35.481 1.00 48.01 ? 96 LYS H CE 1 ATOM 3493 N NZ . LYS B 2 100 ? -24.523 16.647 -35.798 1.00 64.01 ? 96 LYS H NZ 1 ATOM 3494 N N . TYR B 2 101 ? -21.890 15.104 -30.552 1.00 35.77 ? 97 TYR H N 1 ATOM 3495 C CA . TYR B 2 101 ? -22.996 14.881 -29.632 1.00 42.68 ? 97 TYR H CA 1 ATOM 3496 C C . TYR B 2 101 ? -22.593 15.161 -28.196 1.00 43.40 ? 97 TYR H C 1 ATOM 3497 O O . TYR B 2 101 ? -21.714 14.493 -27.642 1.00 35.34 ? 97 TYR H O 1 ATOM 3498 C CB . TYR B 2 101 ? -23.518 13.450 -29.749 1.00 42.66 ? 97 TYR H CB 1 ATOM 3499 C CG . TYR B 2 101 ? -24.672 13.155 -28.819 1.00 43.26 ? 97 TYR H CG 1 ATOM 3500 C CD1 . TYR B 2 101 ? -25.893 13.801 -28.971 1.00 46.63 ? 97 TYR H CD1 1 ATOM 3501 C CD2 . TYR B 2 101 ? -24.546 12.225 -27.795 1.00 48.11 ? 97 TYR H CD2 1 ATOM 3502 C CE1 . TYR B 2 101 ? -26.952 13.535 -28.126 1.00 46.25 ? 97 TYR H CE1 1 ATOM 3503 C CE2 . TYR B 2 101 ? -25.602 11.950 -26.946 1.00 52.30 ? 97 TYR H CE2 1 ATOM 3504 C CZ . TYR B 2 101 ? -26.801 12.607 -27.115 1.00 53.09 ? 97 TYR H CZ 1 ATOM 3505 O OH . TYR B 2 101 ? -27.853 12.336 -26.271 1.00 58.37 ? 97 TYR H OH 1 ATOM 3506 N N . CYS B 2 102 ? -23.240 16.154 -27.597 1.00 45.22 ? 98 CYS H N 1 ATOM 3507 C CA . CYS B 2 102 ? -23.032 16.450 -26.188 1.00 52.69 ? 98 CYS H CA 1 ATOM 3508 C C . CYS B 2 102 ? -24.232 17.150 -25.570 1.00 53.95 ? 98 CYS H C 1 ATOM 3509 O O . CYS B 2 102 ? -24.603 18.248 -25.979 1.00 51.32 ? 98 CYS H O 1 ATOM 3510 C CB . CYS B 2 102 ? -21.787 17.308 -25.989 1.00 48.02 ? 98 CYS H CB 1 ATOM 3511 S SG . CYS B 2 102 ? -21.461 17.638 -24.248 1.00 90.30 ? 98 CYS H SG 1 ATOM 3512 N N . THR B 2 103 ? -24.836 16.500 -24.582 1.00 48.13 ? 99 THR H N 1 ATOM 3513 C CA . THR B 2 103 ? -25.906 17.106 -23.806 1.00 48.62 ? 99 THR H CA 1 ATOM 3514 C C . THR B 2 103 ? -25.470 17.190 -22.348 1.00 50.50 ? 99 THR H C 1 ATOM 3515 O O . THR B 2 103 ? -24.351 16.806 -22.007 1.00 43.12 ? 99 THR H O 1 ATOM 3516 C CB . THR B 2 103 ? -27.216 16.308 -23.910 1.00 49.29 ? 99 THR H CB 1 ATOM 3517 O OG1 . THR B 2 103 ? -27.064 15.052 -23.237 1.00 44.12 ? 99 THR H OG1 1 ATOM 3518 C CG2 . THR B 2 103 ? -27.581 16.062 -25.368 1.00 43.73 ? 99 THR H CG2 1 ATOM 3519 N N . ALA B 2 104 ? -26.351 17.691 -21.490 1.00 49.92 ? 100 ALA H N 1 ATOM 3520 C CA . ALA B 2 104 ? -26.060 17.757 -20.064 1.00 51.91 ? 100 ALA H CA 1 ATOM 3521 C C . ALA B 2 104 ? -26.060 16.360 -19.448 1.00 43.34 ? 100 ALA H C 1 ATOM 3522 O O . ALA B 2 104 ? -25.449 16.134 -18.404 1.00 51.13 ? 100 ALA H O 1 ATOM 3523 C CB . ALA B 2 104 ? -27.067 18.656 -19.354 1.00 45.93 ? 100 ALA H CB 1 ATOM 3524 N N . ARG B 2 105 A -26.734 15.422 -20.109 1.00 43.66 ? 100 ARG H N 1 ATOM 3525 C CA . ARG B 2 105 A -26.889 14.070 -19.577 1.00 49.19 ? 100 ARG H CA 1 ATOM 3526 C C . ARG B 2 105 A -26.047 13.017 -20.294 1.00 50.64 ? 100 ARG H C 1 ATOM 3527 O O . ARG B 2 105 A -25.833 11.929 -19.761 1.00 43.29 ? 100 ARG H O 1 ATOM 3528 C CB . ARG B 2 105 A -28.358 13.649 -19.634 1.00 50.91 ? 100 ARG H CB 1 ATOM 3529 C CG . ARG B 2 105 A -29.258 14.378 -18.656 1.00 58.56 ? 100 ARG H CG 1 ATOM 3530 C CD . ARG B 2 105 A -30.681 13.864 -18.752 1.00 64.92 ? 100 ARG H CD 1 ATOM 3531 N NE . ARG B 2 105 A -31.532 14.413 -17.702 1.00 75.71 ? 100 ARG H NE 1 ATOM 3532 C CZ . ARG B 2 105 A -32.803 14.071 -17.520 1.00 83.74 ? 100 ARG H CZ 1 ATOM 3533 N NH1 . ARG B 2 105 A -33.371 13.180 -18.321 1.00 87.39 ? 100 ARG H NH1 1 ATOM 3534 N NH2 . ARG B 2 105 A -33.506 14.619 -16.537 1.00 82.84 ? 100 ARG H NH2 1 ATOM 3535 N N . ASP B 2 106 B -25.576 13.327 -21.498 1.00 47.98 ? 100 ASP H N 1 ATOM 3536 C CA . ASP B 2 106 B -24.878 12.324 -22.297 1.00 44.83 ? 100 ASP H CA 1 ATOM 3537 C C . ASP B 2 106 B -23.977 12.950 -23.360 1.00 41.49 ? 100 ASP H C 1 ATOM 3538 O O . ASP B 2 106 B -24.140 14.117 -23.717 1.00 42.89 ? 100 ASP H O 1 ATOM 3539 C CB . ASP B 2 106 B -25.896 11.386 -22.955 1.00 55.21 ? 100 ASP H CB 1 ATOM 3540 C CG . ASP B 2 106 B -25.257 10.142 -23.539 1.00 70.13 ? 100 ASP H CG 1 ATOM 3541 O OD1 . ASP B 2 106 B -24.120 9.810 -23.140 1.00 69.41 ? 100 ASP H OD1 1 ATOM 3542 O OD2 . ASP B 2 106 B -25.894 9.493 -24.396 1.00 76.56 ? 100 ASP H OD2 1 ATOM 3543 N N . TYR B 2 107 C -23.023 12.166 -23.854 1.00 37.16 ? 100 TYR H N 1 ATOM 3544 C CA . TYR B 2 107 C -22.138 12.605 -24.926 1.00 37.25 ? 100 TYR H CA 1 ATOM 3545 C C . TYR B 2 107 C -21.508 11.417 -25.646 1.00 41.27 ? 100 TYR H C 1 ATOM 3546 O O . TYR B 2 107 C -21.447 10.314 -25.107 1.00 36.45 ? 100 TYR H O 1 ATOM 3547 C CB . TYR B 2 107 C -21.033 13.520 -24.379 1.00 35.49 ? 100 TYR H CB 1 ATOM 3548 C CG . TYR B 2 107 C -20.070 12.843 -23.417 1.00 47.35 ? 100 TYR H CG 1 ATOM 3549 C CD1 . TYR B 2 107 C -18.970 12.129 -23.886 1.00 43.01 ? 100 TYR H CD1 1 ATOM 3550 C CD2 . TYR B 2 107 C -20.250 12.932 -22.041 1.00 44.26 ? 100 TYR H CD2 1 ATOM 3551 C CE1 . TYR B 2 107 C -18.090 11.512 -23.017 1.00 42.62 ? 100 TYR H CE1 1 ATOM 3552 C CE2 . TYR B 2 107 C -19.369 12.320 -21.162 1.00 41.06 ? 100 TYR H CE2 1 ATOM 3553 C CZ . TYR B 2 107 C -18.293 11.612 -21.657 1.00 45.65 ? 100 TYR H CZ 1 ATOM 3554 O OH . TYR B 2 107 C -17.416 11.003 -20.792 1.00 49.84 ? 100 TYR H OH 1 ATOM 3555 N N . TYR B 2 108 D -21.045 11.650 -26.868 1.00 36.47 ? 100 TYR H N 1 ATOM 3556 C CA . TYR B 2 108 D -20.145 10.715 -27.531 1.00 37.39 ? 100 TYR H CA 1 ATOM 3557 C C . TYR B 2 108 D -18.904 11.482 -27.957 1.00 37.06 ? 100 TYR H C 1 ATOM 3558 O O . TYR B 2 108 D -18.980 12.418 -28.755 1.00 35.85 ? 100 TYR H O 1 ATOM 3559 C CB . TYR B 2 108 D -20.800 10.034 -28.732 1.00 36.39 ? 100 TYR H CB 1 ATOM 3560 C CG . TYR B 2 108 D -19.892 9.015 -29.390 1.00 38.07 ? 100 TYR H CG 1 ATOM 3561 C CD1 . TYR B 2 108 D -19.535 7.848 -28.724 1.00 30.89 ? 100 TYR H CD1 1 ATOM 3562 C CD2 . TYR B 2 108 D -19.382 9.223 -30.667 1.00 39.18 ? 100 TYR H CD2 1 ATOM 3563 C CE1 . TYR B 2 108 D -18.703 6.914 -29.308 1.00 36.54 ? 100 TYR H CE1 1 ATOM 3564 C CE2 . TYR B 2 108 D -18.545 8.287 -31.265 1.00 37.59 ? 100 TYR H CE2 1 ATOM 3565 C CZ . TYR B 2 108 D -18.211 7.136 -30.577 1.00 37.22 ? 100 TYR H CZ 1 ATOM 3566 O OH . TYR B 2 108 D -17.381 6.202 -31.148 1.00 28.65 ? 100 TYR H OH 1 ATOM 3567 N N . ASN B 2 109 E -17.761 11.081 -27.419 1.00 32.33 ? 100 ASN H N 1 ATOM 3568 C CA . ASN B 2 109 E -16.543 11.870 -27.538 1.00 33.85 ? 100 ASN H CA 1 ATOM 3569 C C . ASN B 2 109 E -15.935 11.946 -28.943 1.00 34.88 ? 100 ASN H C 1 ATOM 3570 O O . ASN B 2 109 E -15.394 12.978 -29.326 1.00 31.93 ? 100 ASN H O 1 ATOM 3571 C CB . ASN B 2 109 E -15.491 11.322 -26.568 1.00 27.07 ? 100 ASN H CB 1 ATOM 3572 C CG . ASN B 2 109 E -14.226 12.156 -26.549 1.00 33.28 ? 100 ASN H CG 1 ATOM 3573 O OD1 . ASN B 2 109 E -14.255 13.341 -26.210 1.00 30.21 ? 100 ASN H OD1 1 ATOM 3574 N ND2 . ASN B 2 109 E -13.102 11.538 -26.899 1.00 27.08 ? 100 ASN H ND2 1 ATOM 3575 N N . TRP B 2 110 F -16.045 10.868 -29.713 1.00 25.64 ? 100 TRP H N 1 ATOM 3576 C CA . TRP B 2 110 F -15.109 10.635 -30.812 1.00 28.07 ? 100 TRP H CA 1 ATOM 3577 C C . TRP B 2 110 F -15.509 11.131 -32.211 1.00 38.84 ? 100 TRP H C 1 ATOM 3578 O O . TRP B 2 110 F -14.667 11.155 -33.111 1.00 33.18 ? 100 TRP H O 1 ATOM 3579 C CB . TRP B 2 110 F -14.799 9.137 -30.874 1.00 28.79 ? 100 TRP H CB 1 ATOM 3580 C CG . TRP B 2 110 F -14.352 8.613 -29.540 1.00 26.50 ? 100 TRP H CG 1 ATOM 3581 C CD1 . TRP B 2 110 F -15.101 7.908 -28.640 1.00 27.93 ? 100 TRP H CD1 1 ATOM 3582 C CD2 . TRP B 2 110 F -13.065 8.795 -28.937 1.00 30.36 ? 100 TRP H CD2 1 ATOM 3583 N NE1 . TRP B 2 110 F -14.352 7.623 -27.521 1.00 32.52 ? 100 TRP H NE1 1 ATOM 3584 C CE2 . TRP B 2 110 F -13.099 8.157 -27.678 1.00 34.26 ? 100 TRP H CE2 1 ATOM 3585 C CE3 . TRP B 2 110 F -11.884 9.426 -29.342 1.00 27.06 ? 100 TRP H CE3 1 ATOM 3586 C CZ2 . TRP B 2 110 F -11.998 8.134 -26.823 1.00 31.44 ? 100 TRP H CZ2 1 ATOM 3587 C CZ3 . TRP B 2 110 F -10.791 9.402 -28.490 1.00 34.59 ? 100 TRP H CZ3 1 ATOM 3588 C CH2 . TRP B 2 110 F -10.856 8.758 -27.245 1.00 32.95 ? 100 TRP H CH2 1 ATOM 3589 N N . ASP B 2 111 G -16.765 11.518 -32.412 1.00 36.24 ? 100 ASP H N 1 ATOM 3590 C CA . ASP B 2 111 G -17.144 12.148 -33.682 1.00 37.00 ? 100 ASP H CA 1 ATOM 3591 C C . ASP B 2 111 G -16.805 13.633 -33.623 1.00 35.71 ? 100 ASP H C 1 ATOM 3592 O O . ASP B 2 111 G -17.617 14.441 -33.178 1.00 36.15 ? 100 ASP H O 1 ATOM 3593 C CB . ASP B 2 111 G -18.631 11.954 -33.988 1.00 30.25 ? 100 ASP H CB 1 ATOM 3594 C CG . ASP B 2 111 G -18.991 10.502 -34.251 1.00 37.44 ? 100 ASP H CG 1 ATOM 3595 O OD1 . ASP B 2 111 G -18.086 9.714 -34.601 1.00 35.58 ? 100 ASP H OD1 1 ATOM 3596 O OD2 . ASP B 2 111 G -20.183 10.150 -34.118 1.00 35.42 ? 100 ASP H OD2 1 ATOM 3597 N N . PHE B 2 112 H -15.602 13.983 -34.068 1.00 29.33 ? 100 PHE H N 1 ATOM 3598 C CA . PHE B 2 112 H -15.076 15.334 -33.882 1.00 28.06 ? 100 PHE H CA 1 ATOM 3599 C C . PHE B 2 112 H -15.638 16.337 -34.888 1.00 33.16 ? 100 PHE H C 1 ATOM 3600 O O . PHE B 2 112 H -15.015 16.612 -35.916 1.00 35.00 ? 100 PHE H O 1 ATOM 3601 C CB . PHE B 2 112 H -13.548 15.320 -33.977 1.00 33.95 ? 100 PHE H CB 1 ATOM 3602 C CG . PHE B 2 112 H -12.878 14.479 -32.924 1.00 35.88 ? 100 PHE H CG 1 ATOM 3603 C CD1 . PHE B 2 112 H -13.342 14.473 -31.619 1.00 26.11 ? 100 PHE H CD1 1 ATOM 3604 C CD2 . PHE B 2 112 H -11.786 13.689 -33.244 1.00 40.96 ? 100 PHE H CD2 1 ATOM 3605 C CE1 . PHE B 2 112 H -12.725 13.699 -30.653 1.00 30.55 ? 100 PHE H CE1 1 ATOM 3606 C CE2 . PHE B 2 112 H -11.167 12.911 -32.281 1.00 40.29 ? 100 PHE H CE2 1 ATOM 3607 C CZ . PHE B 2 112 H -11.637 12.917 -30.984 1.00 34.55 ? 100 PHE H CZ 1 ATOM 3608 N N . GLU B 2 113 ? -16.810 16.890 -34.592 1.00 30.01 ? 101 GLU H N 1 ATOM 3609 C CA . GLU B 2 113 ? -17.382 17.914 -35.459 1.00 33.97 ? 101 GLU H CA 1 ATOM 3610 C C . GLU B 2 113 ? -16.655 19.239 -35.274 1.00 30.42 ? 101 GLU H C 1 ATOM 3611 O O . GLU B 2 113 ? -16.496 20.013 -36.222 1.00 34.74 ? 101 GLU H O 1 ATOM 3612 C CB . GLU B 2 113 ? -18.875 18.098 -35.184 1.00 36.99 ? 101 GLU H CB 1 ATOM 3613 C CG . GLU B 2 113 ? -19.546 19.093 -36.125 1.00 57.73 ? 101 GLU H CG 1 ATOM 3614 C CD . GLU B 2 113 ? -21.059 18.992 -36.113 1.00 74.87 ? 101 GLU H CD 1 ATOM 3615 O OE1 . GLU B 2 113 ? -21.663 19.171 -35.035 1.00 74.29 ? 101 GLU H OE1 1 ATOM 3616 O OE2 . GLU B 2 113 ? -21.643 18.730 -37.186 1.00 87.51 ? 101 GLU H OE2 1 ATOM 3617 N N . HIS B 2 114 ? -16.198 19.486 -34.052 1.00 30.30 ? 102 HIS H N 1 ATOM 3618 C CA . HIS B 2 114 ? -15.636 20.785 -33.703 1.00 37.88 ? 102 HIS H CA 1 ATOM 3619 C C . HIS B 2 114 ? -14.125 20.732 -33.522 1.00 31.15 ? 102 HIS H C 1 ATOM 3620 O O . HIS B 2 114 ? -13.607 19.964 -32.714 1.00 31.28 ? 102 HIS H O 1 ATOM 3621 C CB . HIS B 2 114 ? -16.311 21.318 -32.438 1.00 30.20 ? 102 HIS H CB 1 ATOM 3622 C CG . HIS B 2 114 ? -17.804 21.350 -32.534 1.00 29.71 ? 102 HIS H CG 1 ATOM 3623 N ND1 . HIS B 2 114 ? -18.611 20.422 -31.911 1.00 35.15 ? 102 HIS H ND1 1 ATOM 3624 C CD2 . HIS B 2 114 ? -18.635 22.174 -33.215 1.00 28.73 ? 102 HIS H CD2 1 ATOM 3625 C CE1 . HIS B 2 114 ? -19.876 20.687 -32.186 1.00 32.56 ? 102 HIS H CE1 1 ATOM 3626 N NE2 . HIS B 2 114 ? -19.917 21.745 -32.976 1.00 39.37 ? 102 HIS H NE2 1 ATOM 3627 N N . TRP B 2 115 ? -13.433 21.559 -34.299 1.00 29.56 ? 103 TRP H N 1 ATOM 3628 C CA . TRP B 2 115 ? -11.980 21.657 -34.272 1.00 30.89 ? 103 TRP H CA 1 ATOM 3629 C C . TRP B 2 115 ? -11.559 23.102 -34.032 1.00 36.10 ? 103 TRP H C 1 ATOM 3630 O O . TRP B 2 115 ? -12.188 24.026 -34.547 1.00 27.11 ? 103 TRP H O 1 ATOM 3631 C CB . TRP B 2 115 ? -11.373 21.171 -35.597 1.00 32.18 ? 103 TRP H CB 1 ATOM 3632 C CG . TRP B 2 115 ? -11.596 19.724 -35.909 1.00 34.14 ? 103 TRP H CG 1 ATOM 3633 C CD1 . TRP B 2 115 ? -12.778 19.126 -36.237 1.00 39.12 ? 103 TRP H CD1 1 ATOM 3634 C CD2 . TRP B 2 115 ? -10.600 18.694 -35.951 1.00 28.91 ? 103 TRP H CD2 1 ATOM 3635 N NE1 . TRP B 2 115 ? -12.583 17.784 -36.467 1.00 37.89 ? 103 TRP H NE1 1 ATOM 3636 C CE2 . TRP B 2 115 ? -11.255 17.493 -36.296 1.00 31.85 ? 103 TRP H CE2 1 ATOM 3637 C CE3 . TRP B 2 115 ? -9.220 18.668 -35.721 1.00 30.82 ? 103 TRP H CE3 1 ATOM 3638 C CZ2 . TRP B 2 115 ? -10.577 16.280 -36.416 1.00 34.15 ? 103 TRP H CZ2 1 ATOM 3639 C CZ3 . TRP B 2 115 ? -8.550 17.458 -35.835 1.00 39.55 ? 103 TRP H CZ3 1 ATOM 3640 C CH2 . TRP B 2 115 ? -9.229 16.283 -36.182 1.00 30.36 ? 103 TRP H CH2 1 ATOM 3641 N N . GLY B 2 116 ? -10.491 23.298 -33.266 1.00 33.90 ? 104 GLY H N 1 ATOM 3642 C CA . GLY B 2 116 ? -9.852 24.599 -33.194 1.00 35.00 ? 104 GLY H CA 1 ATOM 3643 C C . GLY B 2 116 ? -9.176 24.844 -34.528 1.00 36.59 ? 104 GLY H C 1 ATOM 3644 O O . GLY B 2 116 ? -9.137 23.947 -35.369 1.00 31.88 ? 104 GLY H O 1 ATOM 3645 N N . GLN B 2 117 ? -8.641 26.042 -34.738 1.00 33.69 ? 105 GLN H N 1 ATOM 3646 C CA . GLN B 2 117 ? -8.034 26.360 -36.030 1.00 41.96 ? 105 GLN H CA 1 ATOM 3647 C C . GLN B 2 117 ? -6.653 25.718 -36.175 1.00 35.35 ? 105 GLN H C 1 ATOM 3648 O O . GLN B 2 117 ? -6.075 25.705 -37.261 1.00 37.97 ? 105 GLN H O 1 ATOM 3649 C CB . GLN B 2 117 ? -7.936 27.878 -36.226 1.00 37.97 ? 105 GLN H CB 1 ATOM 3650 C CG . GLN B 2 117 ? -6.725 28.529 -35.574 1.00 47.84 ? 105 GLN H CG 1 ATOM 3651 C CD . GLN B 2 117 ? -6.904 28.782 -34.082 1.00 52.88 ? 105 GLN H CD 1 ATOM 3652 O OE1 . GLN B 2 117 ? -7.794 28.220 -33.438 1.00 38.71 ? 105 GLN H OE1 1 ATOM 3653 N NE2 . GLN B 2 117 ? -6.053 29.640 -33.529 1.00 44.43 ? 105 GLN H NE2 1 ATOM 3654 N N . GLY B 2 118 ? -6.127 25.186 -35.078 1.00 39.15 ? 106 GLY H N 1 ATOM 3655 C CA . GLY B 2 118 ? -4.835 24.529 -35.101 1.00 40.58 ? 106 GLY H CA 1 ATOM 3656 C C . GLY B 2 118 ? -3.696 25.419 -34.651 1.00 43.08 ? 106 GLY H C 1 ATOM 3657 O O . GLY B 2 118 ? -3.695 26.625 -34.898 1.00 42.44 ? 106 GLY H O 1 ATOM 3658 N N . THR B 2 119 ? -2.722 24.813 -33.981 1.00 34.77 ? 107 THR H N 1 ATOM 3659 C CA . THR B 2 119 ? -1.540 25.527 -33.518 1.00 31.85 ? 107 THR H CA 1 ATOM 3660 C C . THR B 2 119 ? -0.284 24.846 -34.048 1.00 34.07 ? 107 THR H C 1 ATOM 3661 O O . THR B 2 119 ? 0.100 23.781 -33.562 1.00 36.53 ? 107 THR H O 1 ATOM 3662 C CB . THR B 2 119 ? -1.471 25.589 -31.973 1.00 37.12 ? 107 THR H CB 1 ATOM 3663 O OG1 . THR B 2 119 ? -2.620 26.279 -31.460 1.00 33.48 ? 107 THR H OG1 1 ATOM 3664 C CG2 . THR B 2 119 ? -0.211 26.313 -31.527 1.00 36.83 ? 107 THR H CG2 1 ATOM 3665 N N . PRO B 2 120 ? 0.360 25.456 -35.054 1.00 38.50 ? 108 PRO H N 1 ATOM 3666 C CA . PRO B 2 120 ? 1.577 24.862 -35.613 1.00 42.41 ? 108 PRO H CA 1 ATOM 3667 C C . PRO B 2 120 ? 2.762 24.982 -34.660 1.00 43.73 ? 108 PRO H C 1 ATOM 3668 O O . PRO B 2 120 ? 3.071 26.073 -34.181 1.00 42.00 ? 108 PRO H O 1 ATOM 3669 C CB . PRO B 2 120 ? 1.810 25.675 -36.890 1.00 34.39 ? 108 PRO H CB 1 ATOM 3670 C CG . PRO B 2 120 ? 1.164 26.992 -36.617 1.00 46.01 ? 108 PRO H CG 1 ATOM 3671 C CD . PRO B 2 120 ? -0.029 26.695 -35.750 1.00 43.69 ? 108 PRO H CD 1 ATOM 3672 N N . VAL B 2 121 ? 3.409 23.858 -34.377 1.00 36.52 ? 109 VAL H N 1 ATOM 3673 C CA . VAL B 2 121 ? 4.608 23.867 -33.551 1.00 46.36 ? 109 VAL H CA 1 ATOM 3674 C C . VAL B 2 121 ? 5.756 23.194 -34.291 1.00 47.62 ? 109 VAL H C 1 ATOM 3675 O O . VAL B 2 121 ? 5.652 22.038 -34.701 1.00 45.26 ? 109 VAL H O 1 ATOM 3676 C CB . VAL B 2 121 ? 4.390 23.156 -32.200 1.00 47.46 ? 109 VAL H CB 1 ATOM 3677 C CG1 . VAL B 2 121 ? 5.666 23.198 -31.370 1.00 37.18 ? 109 VAL H CG1 1 ATOM 3678 C CG2 . VAL B 2 121 ? 3.238 23.795 -31.440 1.00 48.19 ? 109 VAL H CG2 1 ATOM 3679 N N . THR B 2 122 ? 6.845 23.932 -34.468 1.00 39.51 ? 110 THR H N 1 ATOM 3680 C CA . THR B 2 122 ? 8.037 23.397 -35.106 1.00 46.83 ? 110 THR H CA 1 ATOM 3681 C C . THR B 2 122 ? 9.154 23.215 -34.081 1.00 51.52 ? 110 THR H C 1 ATOM 3682 O O . THR B 2 122 ? 9.489 24.141 -33.342 1.00 52.07 ? 110 THR H O 1 ATOM 3683 C CB . THR B 2 122 ? 8.521 24.314 -36.243 1.00 46.76 ? 110 THR H CB 1 ATOM 3684 O OG1 . THR B 2 122 ? 7.479 24.457 -37.216 1.00 48.53 ? 110 THR H OG1 1 ATOM 3685 C CG2 . THR B 2 122 ? 9.762 23.737 -36.913 1.00 48.95 ? 110 THR H CG2 1 ATOM 3686 N N . VAL B 2 123 ? 9.716 22.013 -34.031 1.00 51.07 ? 111 VAL H N 1 ATOM 3687 C CA . VAL B 2 123 ? 10.827 21.727 -33.133 1.00 45.16 ? 111 VAL H CA 1 ATOM 3688 C C . VAL B 2 123 ? 12.066 21.359 -33.939 1.00 46.36 ? 111 VAL H C 1 ATOM 3689 O O . VAL B 2 123 ? 12.097 20.318 -34.596 1.00 49.65 ? 111 VAL H O 1 ATOM 3690 C CB . VAL B 2 123 ? 10.497 20.577 -32.162 1.00 37.46 ? 111 VAL H CB 1 ATOM 3691 C CG1 . VAL B 2 123 ? 11.605 20.420 -31.134 1.00 46.83 ? 111 VAL H CG1 1 ATOM 3692 C CG2 . VAL B 2 123 ? 9.160 20.817 -31.479 1.00 39.79 ? 111 VAL H CG2 1 ATOM 3693 N N . SER B 2 124 ? 13.085 22.212 -33.897 1.00 46.21 ? 112 SER H N 1 ATOM 3694 C CA . SER B 2 124 ? 14.309 21.944 -34.642 1.00 52.67 ? 112 SER H CA 1 ATOM 3695 C C . SER B 2 124 ? 15.536 22.585 -34.007 1.00 56.64 ? 112 SER H C 1 ATOM 3696 O O . SER B 2 124 ? 15.435 23.566 -33.267 1.00 55.03 ? 112 SER H O 1 ATOM 3697 C CB . SER B 2 124 ? 14.171 22.427 -36.088 1.00 63.38 ? 112 SER H CB 1 ATOM 3698 O OG . SER B 2 124 ? 14.233 23.839 -36.165 1.00 67.11 ? 112 SER H OG 1 ATOM 3699 N N . SER B 2 125 ? 16.695 22.012 -34.308 1.00 55.98 ? 113 SER H N 1 ATOM 3700 C CA . SER B 2 125 ? 17.976 22.549 -33.873 1.00 58.40 ? 113 SER H CA 1 ATOM 3701 C C . SER B 2 125 ? 18.241 23.906 -34.520 1.00 67.58 ? 113 SER H C 1 ATOM 3702 O O . SER B 2 125 ? 17.765 24.170 -35.624 1.00 66.68 ? 113 SER H O 1 ATOM 3703 C CB . SER B 2 125 ? 19.098 21.562 -34.215 1.00 52.40 ? 113 SER H CB 1 ATOM 3704 O OG . SER B 2 125 ? 20.379 22.137 -34.035 1.00 56.99 ? 113 SER H OG 1 ATOM 3705 N N . ALA B 2 126 ? 18.987 24.780 -33.825 1.00 73.27 ? 114 ALA H N 1 ATOM 3706 C CA . ALA B 2 126 ? 19.411 26.063 -34.397 1.00 62.34 ? 114 ALA H CA 1 ATOM 3707 C C . ALA B 2 126 ? 20.542 25.876 -35.397 1.00 60.53 ? 114 ALA H C 1 ATOM 3708 O O . ALA B 2 126 ? 20.824 26.771 -36.191 1.00 61.65 ? 114 ALA H O 1 ATOM 3709 C CB . ALA B 2 126 ? 19.831 27.022 -33.293 1.00 20.00 ? 114 ALA H CB 1 ATOM 3710 N N . SER B 2 127 ? 21.189 24.717 -35.336 1.00 57.33 ? 115 SER H N 1 ATOM 3711 C CA . SER B 2 127 ? 22.308 24.405 -36.215 1.00 55.44 ? 115 SER H CA 1 ATOM 3712 C C . SER B 2 127 ? 21.873 24.366 -37.671 1.00 50.57 ? 115 SER H C 1 ATOM 3713 O O . SER B 2 127 ? 20.722 24.064 -37.979 1.00 53.53 ? 115 SER H O 1 ATOM 3714 C CB . SER B 2 127 ? 22.941 23.066 -35.827 1.00 62.89 ? 115 SER H CB 1 ATOM 3715 O OG . SER B 2 127 ? 23.416 23.089 -34.492 1.00 72.76 ? 115 SER H OG 1 ATOM 3716 N N . THR B 2 128 ? 22.803 24.690 -38.562 1.00 49.06 ? 116 THR H N 1 ATOM 3717 C CA . THR B 2 128 ? 22.573 24.576 -39.994 1.00 46.54 ? 116 THR H CA 1 ATOM 3718 C C . THR B 2 128 ? 23.693 23.753 -40.610 1.00 41.50 ? 116 THR H C 1 ATOM 3719 O O . THR B 2 128 ? 24.803 23.710 -40.081 1.00 48.31 ? 116 THR H O 1 ATOM 3720 C CB . THR B 2 128 ? 22.510 25.955 -40.687 1.00 47.14 ? 116 THR H CB 1 ATOM 3721 O OG1 . THR B 2 128 ? 23.798 26.581 -40.629 1.00 52.71 ? 116 THR H OG1 1 ATOM 3722 C CG2 . THR B 2 128 ? 21.477 26.852 -40.011 1.00 49.32 ? 116 THR H CG2 1 ATOM 3723 N N . LYS B 2 129 ? 23.397 23.091 -41.721 1.00 39.80 ? 117 LYS H N 1 ATOM 3724 C CA . LYS B 2 129 ? 24.411 22.338 -42.445 1.00 46.79 ? 117 LYS H CA 1 ATOM 3725 C C . LYS B 2 129 ? 24.249 22.533 -43.945 1.00 41.56 ? 117 LYS H C 1 ATOM 3726 O O . LYS B 2 129 ? 23.188 22.258 -44.506 1.00 46.27 ? 117 LYS H O 1 ATOM 3727 C CB . LYS B 2 129 ? 24.343 20.852 -42.090 1.00 47.77 ? 117 LYS H CB 1 ATOM 3728 C CG . LYS B 2 129 ? 25.290 19.979 -42.896 1.00 52.66 ? 117 LYS H CG 1 ATOM 3729 C CD . LYS B 2 129 ? 25.425 18.590 -42.288 1.00 58.21 ? 117 LYS H CD 1 ATOM 3730 C CE . LYS B 2 129 ? 26.122 17.633 -43.245 1.00 68.89 ? 117 LYS H CE 1 ATOM 3731 N NZ . LYS B 2 129 ? 27.372 18.213 -43.809 1.00 77.71 ? 117 LYS H NZ 1 ATOM 3732 N N . GLY B 2 130 ? 25.305 23.024 -44.588 1.00 45.19 ? 118 GLY H N 1 ATOM 3733 C CA . GLY B 2 130 ? 25.301 23.220 -46.025 1.00 43.24 ? 118 GLY H CA 1 ATOM 3734 C C . GLY B 2 130 ? 25.321 21.902 -46.776 1.00 44.44 ? 118 GLY H C 1 ATOM 3735 O O . GLY B 2 130 ? 25.792 20.890 -46.254 1.00 45.01 ? 118 GLY H O 1 ATOM 3736 N N . PRO B 2 131 ? 24.812 21.909 -48.014 1.00 47.14 ? 119 PRO H N 1 ATOM 3737 C CA . PRO B 2 131 ? 24.692 20.702 -48.837 1.00 41.86 ? 119 PRO H CA 1 ATOM 3738 C C . PRO B 2 131 ? 26.018 20.223 -49.408 1.00 41.04 ? 119 PRO H C 1 ATOM 3739 O O . PRO B 2 131 ? 26.907 21.027 -49.689 1.00 43.10 ? 119 PRO H O 1 ATOM 3740 C CB . PRO B 2 131 ? 23.769 21.142 -49.986 1.00 36.07 ? 119 PRO H CB 1 ATOM 3741 C CG . PRO B 2 131 ? 23.279 22.521 -49.631 1.00 50.12 ? 119 PRO H CG 1 ATOM 3742 C CD . PRO B 2 131 ? 24.298 23.099 -48.708 1.00 47.90 ? 119 PRO H CD 1 ATOM 3743 N N . SER B 2 132 ? 26.145 18.913 -49.574 1.00 39.59 ? 120 SER H N 1 ATOM 3744 C CA . SER B 2 132 ? 27.154 18.371 -50.467 1.00 46.45 ? 120 SER H CA 1 ATOM 3745 C C . SER B 2 132 ? 26.527 18.315 -51.853 1.00 41.76 ? 120 SER H C 1 ATOM 3746 O O . SER B 2 132 ? 25.349 17.984 -51.988 1.00 52.72 ? 120 SER H O 1 ATOM 3747 C CB . SER B 2 132 ? 27.621 16.988 -50.012 1.00 54.75 ? 120 SER H CB 1 ATOM 3748 O OG . SER B 2 132 ? 28.256 17.057 -48.747 1.00 67.80 ? 120 SER H OG 1 ATOM 3749 N N . VAL B 2 133 ? 27.296 18.655 -52.880 1.00 37.03 ? 121 VAL H N 1 ATOM 3750 C CA . VAL B 2 133 ? 26.767 18.654 -54.237 1.00 33.45 ? 121 VAL H CA 1 ATOM 3751 C C . VAL B 2 133 ? 27.567 17.716 -55.129 1.00 47.02 ? 121 VAL H C 1 ATOM 3752 O O . VAL B 2 133 ? 28.755 17.934 -55.373 1.00 46.86 ? 121 VAL H O 1 ATOM 3753 C CB . VAL B 2 133 ? 26.769 20.071 -54.847 1.00 37.40 ? 121 VAL H CB 1 ATOM 3754 C CG1 . VAL B 2 133 ? 26.147 20.055 -56.234 1.00 39.99 ? 121 VAL H CG1 1 ATOM 3755 C CG2 . VAL B 2 133 ? 26.024 21.036 -53.937 1.00 40.97 ? 121 VAL H CG2 1 ATOM 3756 N N . PHE B 2 134 ? 26.906 16.669 -55.611 1.00 40.97 ? 122 PHE H N 1 ATOM 3757 C CA . PHE B 2 134 ? 27.556 15.671 -56.445 1.00 44.68 ? 122 PHE H CA 1 ATOM 3758 C C . PHE B 2 134 ? 26.963 15.663 -57.850 1.00 46.67 ? 122 PHE H C 1 ATOM 3759 O O . PHE B 2 134 ? 25.753 15.826 -58.023 1.00 41.49 ? 122 PHE H O 1 ATOM 3760 C CB . PHE B 2 134 ? 27.432 14.287 -55.812 1.00 42.59 ? 122 PHE H CB 1 ATOM 3761 C CG . PHE B 2 134 ? 27.893 14.234 -54.385 1.00 43.67 ? 122 PHE H CG 1 ATOM 3762 C CD1 . PHE B 2 134 ? 29.234 14.374 -54.072 1.00 42.79 ? 122 PHE H CD1 1 ATOM 3763 C CD2 . PHE B 2 134 ? 26.986 14.036 -53.357 1.00 47.33 ? 122 PHE H CD2 1 ATOM 3764 C CE1 . PHE B 2 134 ? 29.664 14.323 -52.757 1.00 48.88 ? 122 PHE H CE1 1 ATOM 3765 C CE2 . PHE B 2 134 ? 27.409 13.981 -52.038 1.00 51.32 ? 122 PHE H CE2 1 ATOM 3766 C CZ . PHE B 2 134 ? 28.751 14.125 -51.739 1.00 47.28 ? 122 PHE H CZ 1 ATOM 3767 N N . PRO B 2 135 ? 27.819 15.479 -58.863 1.00 48.56 ? 123 PRO H N 1 ATOM 3768 C CA . PRO B 2 135 ? 27.347 15.454 -60.248 1.00 49.06 ? 123 PRO H CA 1 ATOM 3769 C C . PRO B 2 135 ? 26.604 14.166 -60.587 1.00 47.93 ? 123 PRO H C 1 ATOM 3770 O O . PRO B 2 135 ? 27.028 13.082 -60.187 1.00 46.71 ? 123 PRO H O 1 ATOM 3771 C CB . PRO B 2 135 ? 28.642 15.558 -61.054 1.00 53.14 ? 123 PRO H CB 1 ATOM 3772 C CG . PRO B 2 135 ? 29.657 14.891 -60.182 1.00 54.01 ? 123 PRO H CG 1 ATOM 3773 C CD . PRO B 2 135 ? 29.274 15.265 -58.771 1.00 54.06 ? 123 PRO H CD 1 ATOM 3774 N N . LEU B 2 136 ? 25.493 14.296 -61.302 1.00 45.36 ? 124 LEU H N 1 ATOM 3775 C CA . LEU B 2 136 ? 24.835 13.148 -61.910 1.00 44.26 ? 124 LEU H CA 1 ATOM 3776 C C . LEU B 2 136 ? 25.201 13.151 -63.391 1.00 51.29 ? 124 LEU H C 1 ATOM 3777 O O . LEU B 2 136 ? 24.494 13.735 -64.214 1.00 48.50 ? 124 LEU H O 1 ATOM 3778 C CB . LEU B 2 136 ? 23.318 13.207 -61.701 1.00 47.41 ? 124 LEU H CB 1 ATOM 3779 C CG . LEU B 2 136 ? 22.839 13.092 -60.247 1.00 42.44 ? 124 LEU H CG 1 ATOM 3780 C CD1 . LEU B 2 136 ? 21.403 13.572 -60.085 1.00 39.37 ? 124 LEU H CD1 1 ATOM 3781 C CD2 . LEU B 2 136 ? 22.974 11.659 -59.756 1.00 39.13 ? 124 LEU H CD2 1 ATOM 3782 N N . ALA B 2 137 ? 26.324 12.509 -63.711 1.00 43.84 ? 125 ALA H N 1 ATOM 3783 C CA . ALA B 2 137 ? 26.935 12.576 -65.038 1.00 50.57 ? 125 ALA H CA 1 ATOM 3784 C C . ALA B 2 137 ? 26.029 12.041 -66.142 1.00 57.12 ? 125 ALA H C 1 ATOM 3785 O O . ALA B 2 137 ? 25.334 11.045 -65.942 1.00 58.20 ? 125 ALA H O 1 ATOM 3786 C CB . ALA B 2 137 ? 28.258 11.814 -65.038 1.00 52.58 ? 125 ALA H CB 1 ATOM 3787 N N . PRO B 2 138 ? 26.047 12.704 -67.314 1.00 59.40 ? 126 PRO H N 1 ATOM 3788 C CA . PRO B 2 138 ? 25.281 12.326 -68.510 1.00 62.22 ? 126 PRO H CA 1 ATOM 3789 C C . PRO B 2 138 ? 25.280 10.823 -68.773 1.00 68.45 ? 126 PRO H C 1 ATOM 3790 O O . PRO B 2 138 ? 24.337 10.141 -68.369 1.00 85.79 ? 126 PRO H O 1 ATOM 3791 C CB . PRO B 2 138 ? 26.008 13.070 -69.630 1.00 54.86 ? 126 PRO H CB 1 ATOM 3792 C CG . PRO B 2 138 ? 26.514 14.300 -68.972 1.00 54.85 ? 126 PRO H CG 1 ATOM 3793 C CD . PRO B 2 138 ? 26.863 13.910 -67.551 1.00 51.19 ? 126 PRO H CD 1 ATOM 3794 N N . SER B 2 139 ? 26.321 10.325 -69.433 1.00 57.52 ? 127 SER H N 1 ATOM 3795 C CA . SER B 2 139 ? 26.471 8.891 -69.679 1.00 79.30 ? 127 SER H CA 1 ATOM 3796 C C . SER B 2 139 ? 27.844 8.577 -70.265 1.00 101.53 ? 127 SER H C 1 ATOM 3797 O O . SER B 2 139 ? 28.833 9.236 -69.943 1.00 114.47 ? 127 SER H O 1 ATOM 3798 C CB . SER B 2 139 ? 25.374 8.374 -70.617 1.00 79.89 ? 127 SER H CB 1 ATOM 3799 O OG . SER B 2 139 ? 25.479 8.952 -71.905 1.00 85.38 ? 127 SER H OG 1 ATOM 3800 N N . SER B 2 140 ? 27.893 7.568 -71.129 1.00 106.31 ? 128 SER H N 1 ATOM 3801 C CA . SER B 2 140 ? 29.149 7.119 -71.719 1.00 111.99 ? 128 SER H CA 1 ATOM 3802 C C . SER B 2 140 ? 29.417 7.789 -73.064 1.00 125.28 ? 128 SER H C 1 ATOM 3803 O O . SER B 2 140 ? 30.046 8.846 -73.129 1.00 130.17 ? 128 SER H O 1 ATOM 3804 C CB . SER B 2 140 ? 29.142 5.598 -71.883 1.00 111.71 ? 128 SER H CB 1 ATOM 3805 O OG . SER B 2 140 ? 30.374 5.135 -72.409 1.00 118.43 ? 128 SER H OG 1 ATOM 3806 N N . LYS B 2 141 ? 28.939 7.165 -74.136 1.00 128.25 ? 129 LYS H N 1 ATOM 3807 C CA . LYS B 2 141 ? 29.150 7.678 -75.486 1.00 128.31 ? 129 LYS H CA 1 ATOM 3808 C C . LYS B 2 141 ? 28.111 8.741 -75.839 1.00 134.96 ? 129 LYS H C 1 ATOM 3809 O O . LYS B 2 141 ? 26.976 8.693 -75.361 1.00 132.34 ? 129 LYS H O 1 ATOM 3810 C CB . LYS B 2 141 ? 29.104 6.532 -76.503 1.00 120.94 ? 129 LYS H CB 1 ATOM 3811 C CG . LYS B 2 141 ? 29.487 6.924 -77.922 1.00 113.73 ? 129 LYS H CG 1 ATOM 3812 C CD . LYS B 2 141 ? 29.235 5.786 -78.896 1.00 113.39 ? 129 LYS H CD 1 ATOM 3813 C CE . LYS B 2 141 ? 27.773 5.372 -78.887 1.00 112.98 ? 129 LYS H CE 1 ATOM 3814 N NZ . LYS B 2 141 ? 26.869 6.520 -79.180 1.00 111.29 ? 129 LYS H NZ 1 ATOM 3815 N N . SER B 2 142 ? 28.505 9.703 -76.668 1.00 141.65 ? 130 SER H N 1 ATOM 3816 C CA . SER B 2 142 ? 27.579 10.720 -77.151 1.00 137.51 ? 130 SER H CA 1 ATOM 3817 C C . SER B 2 142 ? 26.673 10.156 -78.240 1.00 141.29 ? 130 SER H C 1 ATOM 3818 O O . SER B 2 142 ? 27.065 10.068 -79.405 1.00 139.99 ? 130 SER H O 1 ATOM 3819 C CB . SER B 2 142 ? 28.335 11.941 -77.680 1.00 130.96 ? 130 SER H CB 1 ATOM 3820 O OG . SER B 2 142 ? 28.905 12.690 -76.620 1.00 122.28 ? 130 SER H OG 1 ATOM 3821 N N . THR B 2 143 ? 25.462 9.768 -77.851 1.00 143.85 ? 131 THR H N 1 ATOM 3822 C CA . THR B 2 143 ? 24.478 9.268 -78.803 1.00 143.82 ? 131 THR H CA 1 ATOM 3823 C C . THR B 2 143 ? 23.855 10.414 -79.592 1.00 145.24 ? 131 THR H C 1 ATOM 3824 O O . THR B 2 143 ? 22.734 10.839 -79.302 1.00 144.16 ? 131 THR H O 1 ATOM 3825 C CB . THR B 2 143 ? 23.355 8.472 -78.104 1.00 135.52 ? 131 THR H CB 1 ATOM 3826 O OG1 . THR B 2 143 ? 22.672 9.317 -77.170 1.00 124.96 ? 131 THR H OG1 1 ATOM 3827 C CG2 . THR B 2 143 ? 23.924 7.265 -77.374 1.00 134.35 ? 131 THR H CG2 1 ATOM 3828 N N . SER B 2 144 ? 24.592 10.918 -80.578 1.00 145.25 ? 132 SER H N 1 ATOM 3829 C CA . SER B 2 144 ? 24.053 11.906 -81.505 1.00 141.29 ? 132 SER H CA 1 ATOM 3830 C C . SER B 2 144 ? 22.845 11.320 -82.224 1.00 138.39 ? 132 SER H C 1 ATOM 3831 O O . SER B 2 144 ? 22.964 10.350 -82.971 1.00 144.60 ? 132 SER H O 1 ATOM 3832 C CB . SER B 2 144 ? 25.113 12.351 -82.517 1.00 143.41 ? 132 SER H CB 1 ATOM 3833 O OG . SER B 2 144 ? 26.152 13.084 -81.891 1.00 140.26 ? 132 SER H OG 1 ATOM 3834 N N . GLY B 2 145 ? 21.683 11.916 -81.986 1.00 127.26 ? 133 GLY H N 1 ATOM 3835 C CA . GLY B 2 145 ? 20.437 11.399 -82.516 1.00 122.66 ? 133 GLY H CA 1 ATOM 3836 C C . GLY B 2 145 ? 19.497 11.053 -81.380 1.00 115.29 ? 133 GLY H C 1 ATOM 3837 O O . GLY B 2 145 ? 18.562 10.268 -81.546 1.00 121.47 ? 133 GLY H O 1 ATOM 3838 N N . GLY B 2 146 ? 19.757 11.647 -80.218 1.00 93.37 ? 134 GLY H N 1 ATOM 3839 C CA . GLY B 2 146 ? 18.949 11.422 -79.034 1.00 62.73 ? 134 GLY H CA 1 ATOM 3840 C C . GLY B 2 146 ? 19.156 12.505 -77.990 1.00 74.00 ? 134 GLY H C 1 ATOM 3841 O O . GLY B 2 146 ? 19.874 13.477 -78.223 1.00 79.50 ? 134 GLY H O 1 ATOM 3842 N N . THR B 2 147 ? 18.523 12.343 -76.833 1.00 68.19 ? 135 THR H N 1 ATOM 3843 C CA . THR B 2 147 ? 18.656 13.316 -75.755 1.00 68.38 ? 135 THR H CA 1 ATOM 3844 C C . THR B 2 147 ? 19.274 12.682 -74.514 1.00 60.25 ? 135 THR H C 1 ATOM 3845 O O . THR B 2 147 ? 19.035 11.512 -74.218 1.00 58.87 ? 135 THR H O 1 ATOM 3846 C CB . THR B 2 147 ? 17.298 13.941 -75.381 1.00 70.96 ? 135 THR H CB 1 ATOM 3847 O OG1 . THR B 2 147 ? 16.376 12.906 -75.018 1.00 71.75 ? 135 THR H OG1 1 ATOM 3848 C CG2 . THR B 2 147 ? 16.734 14.730 -76.554 1.00 62.07 ? 135 THR H CG2 1 ATOM 3849 N N . ALA B 2 148 ? 20.069 13.465 -73.792 1.00 55.11 ? 136 ALA H N 1 ATOM 3850 C CA . ALA B 2 148 ? 20.780 12.968 -72.622 1.00 48.93 ? 136 ALA H CA 1 ATOM 3851 C C . ALA B 2 148 ? 20.244 13.580 -71.333 1.00 51.14 ? 136 ALA H C 1 ATOM 3852 O O . ALA B 2 148 ? 19.772 14.717 -71.322 1.00 60.60 ? 136 ALA H O 1 ATOM 3853 C CB . ALA B 2 148 ? 22.269 13.249 -72.755 1.00 51.65 ? 136 ALA H CB 1 ATOM 3854 N N . ALA B 2 149 ? 20.324 12.821 -70.246 1.00 44.76 ? 137 ALA H N 1 ATOM 3855 C CA . ALA B 2 149 ? 19.907 13.321 -68.942 1.00 44.78 ? 137 ALA H CA 1 ATOM 3856 C C . ALA B 2 149 ? 21.112 13.518 -68.028 1.00 46.67 ? 137 ALA H C 1 ATOM 3857 O O . ALA B 2 149 ? 21.987 12.657 -67.943 1.00 51.74 ? 137 ALA H O 1 ATOM 3858 C CB . ALA B 2 149 ? 18.905 12.375 -68.304 1.00 42.89 ? 137 ALA H CB 1 ATOM 3859 N N . LEU B 2 150 ? 21.154 14.663 -67.356 1.00 37.06 ? 138 LEU H N 1 ATOM 3860 C CA . LEU B 2 150 ? 22.211 14.957 -66.399 1.00 39.11 ? 138 LEU H CA 1 ATOM 3861 C C . LEU B 2 150 ? 21.628 15.740 -65.228 1.00 40.90 ? 138 LEU H C 1 ATOM 3862 O O . LEU B 2 150 ? 20.506 16.241 -65.303 1.00 44.67 ? 138 LEU H O 1 ATOM 3863 C CB . LEU B 2 150 ? 23.349 15.739 -67.064 1.00 39.32 ? 138 LEU H CB 1 ATOM 3864 C CG . LEU B 2 150 ? 23.063 17.168 -67.544 1.00 35.67 ? 138 LEU H CG 1 ATOM 3865 C CD1 . LEU B 2 150 ? 23.500 18.198 -66.510 1.00 51.19 ? 138 LEU H CD1 1 ATOM 3866 C CD2 . LEU B 2 150 ? 23.740 17.433 -68.873 1.00 42.97 ? 138 LEU H CD2 1 ATOM 3867 N N . GLY B 2 151 ? 22.384 15.852 -64.143 1.00 39.58 ? 139 GLY H N 1 ATOM 3868 C CA . GLY B 2 151 ? 21.894 16.591 -63.000 1.00 34.85 ? 139 GLY H CA 1 ATOM 3869 C C . GLY B 2 151 ? 22.854 16.721 -61.840 1.00 41.49 ? 139 GLY H C 1 ATOM 3870 O O . GLY B 2 151 ? 24.032 16.373 -61.939 1.00 38.85 ? 139 GLY H O 1 ATOM 3871 N N . CYS B 2 152 ? 22.331 17.238 -60.733 1.00 36.06 ? 140 CYS H N 1 ATOM 3872 C CA . CYS B 2 152 ? 23.091 17.384 -59.500 1.00 42.87 ? 140 CYS H CA 1 ATOM 3873 C C . CYS B 2 152 ? 22.348 16.731 -58.348 1.00 43.06 ? 140 CYS H C 1 ATOM 3874 O O . CYS B 2 152 ? 21.133 16.888 -58.216 1.00 39.14 ? 140 CYS H O 1 ATOM 3875 C CB . CYS B 2 152 ? 23.344 18.862 -59.186 1.00 42.13 ? 140 CYS H CB 1 ATOM 3876 S SG . CYS B 2 152 ? 24.563 19.653 -60.251 1.00 55.33 ? 140 CYS H SG 1 ATOM 3877 N N . LEU B 2 153 ? 23.079 15.990 -57.523 1.00 43.90 ? 141 LEU H N 1 ATOM 3878 C CA . LEU B 2 153 ? 22.524 15.429 -56.300 1.00 37.50 ? 141 LEU H CA 1 ATOM 3879 C C . LEU B 2 153 ? 22.905 16.311 -55.118 1.00 38.07 ? 141 LEU H C 1 ATOM 3880 O O . LEU B 2 153 ? 24.085 16.469 -54.804 1.00 43.24 ? 141 LEU H O 1 ATOM 3881 C CB . LEU B 2 153 ? 23.015 13.996 -56.084 1.00 31.89 ? 141 LEU H CB 1 ATOM 3882 C CG . LEU B 2 153 ? 22.654 13.367 -54.738 1.00 35.40 ? 141 LEU H CG 1 ATOM 3883 C CD1 . LEU B 2 153 ? 21.145 13.293 -54.556 1.00 37.19 ? 141 LEU H CD1 1 ATOM 3884 C CD2 . LEU B 2 153 ? 23.280 11.989 -54.618 1.00 39.19 ? 141 LEU H CD2 1 ATOM 3885 N N . VAL B 2 154 ? 21.898 16.891 -54.474 1.00 34.95 ? 142 VAL H N 1 ATOM 3886 C CA . VAL B 2 154 ? 22.111 17.835 -53.385 1.00 32.28 ? 142 VAL H CA 1 ATOM 3887 C C . VAL B 2 154 ? 21.805 17.162 -52.049 1.00 37.70 ? 142 VAL H C 1 ATOM 3888 O O . VAL B 2 154 ? 20.643 17.018 -51.667 1.00 37.52 ? 142 VAL H O 1 ATOM 3889 C CB . VAL B 2 154 ? 21.236 19.090 -53.568 1.00 32.18 ? 142 VAL H CB 1 ATOM 3890 C CG1 . VAL B 2 154 ? 21.536 20.114 -52.494 1.00 44.01 ? 142 VAL H CG1 1 ATOM 3891 C CG2 . VAL B 2 154 ? 21.463 19.689 -54.951 1.00 35.94 ? 142 VAL H CG2 1 ATOM 3892 N N . LYS B 2 155 ? 22.857 16.761 -51.339 1.00 35.61 ? 143 LYS H N 1 ATOM 3893 C CA . LYS B 2 155 ? 22.718 15.821 -50.230 1.00 40.64 ? 143 LYS H CA 1 ATOM 3894 C C . LYS B 2 155 ? 23.130 16.358 -48.854 1.00 41.82 ? 143 LYS H C 1 ATOM 3895 O O . LYS B 2 155 ? 24.092 17.119 -48.730 1.00 44.39 ? 143 LYS H O 1 ATOM 3896 C CB . LYS B 2 155 ? 23.530 14.560 -50.544 1.00 35.45 ? 143 LYS H CB 1 ATOM 3897 C CG . LYS B 2 155 ? 23.355 13.432 -49.547 1.00 50.48 ? 143 LYS H CG 1 ATOM 3898 C CD . LYS B 2 155 ? 23.179 12.104 -50.255 1.00 53.00 ? 143 LYS H CD 1 ATOM 3899 C CE . LYS B 2 155 ? 22.992 10.971 -49.261 1.00 60.79 ? 143 LYS H CE 1 ATOM 3900 N NZ . LYS B 2 155 ? 22.471 9.747 -49.934 1.00 74.83 ? 143 LYS H NZ 1 ATOM 3901 N N . ASP B 2 156 ? 22.380 15.943 -47.833 1.00 41.35 ? 144 ASP H N 1 ATOM 3902 C CA . ASP B 2 156 ? 22.716 16.161 -46.422 1.00 40.98 ? 144 ASP H CA 1 ATOM 3903 C C . ASP B 2 156 ? 22.786 17.630 -46.012 1.00 40.89 ? 144 ASP H C 1 ATOM 3904 O O . ASP B 2 156 ? 23.829 18.109 -45.561 1.00 43.42 ? 144 ASP H O 1 ATOM 3905 C CB . ASP B 2 156 ? 24.043 15.475 -46.083 1.00 42.69 ? 144 ASP H CB 1 ATOM 3906 C CG . ASP B 2 156 ? 23.954 13.964 -46.163 1.00 51.40 ? 144 ASP H CG 1 ATOM 3907 O OD1 . ASP B 2 156 ? 22.822 13.437 -46.197 1.00 43.26 ? 144 ASP H OD1 1 ATOM 3908 O OD2 . ASP B 2 156 ? 25.015 13.304 -46.186 1.00 58.29 ? 144 ASP H OD2 1 ATOM 3909 N N . TYR B 2 157 ? 21.670 18.337 -46.151 1.00 31.99 ? 145 TYR H N 1 ATOM 3910 C CA . TYR B 2 157 ? 21.594 19.715 -45.686 1.00 34.77 ? 145 TYR H CA 1 ATOM 3911 C C . TYR B 2 157 ? 20.470 19.887 -44.666 1.00 39.41 ? 145 TYR H C 1 ATOM 3912 O O . TYR B 2 157 ? 19.575 19.045 -44.563 1.00 38.75 ? 145 TYR H O 1 ATOM 3913 C CB . TYR B 2 157 ? 21.396 20.674 -46.862 1.00 35.19 ? 145 TYR H CB 1 ATOM 3914 C CG . TYR B 2 157 ? 20.108 20.472 -47.626 1.00 38.81 ? 145 TYR H CG 1 ATOM 3915 C CD1 . TYR B 2 157 ? 18.942 21.130 -47.248 1.00 36.88 ? 145 TYR H CD1 1 ATOM 3916 C CD2 . TYR B 2 157 ? 20.058 19.630 -48.732 1.00 40.09 ? 145 TYR H CD2 1 ATOM 3917 C CE1 . TYR B 2 157 ? 17.762 20.951 -47.946 1.00 33.25 ? 145 TYR H CE1 1 ATOM 3918 C CE2 . TYR B 2 157 ? 18.880 19.445 -49.437 1.00 34.81 ? 145 TYR H CE2 1 ATOM 3919 C CZ . TYR B 2 157 ? 17.738 20.108 -49.037 1.00 36.29 ? 145 TYR H CZ 1 ATOM 3920 O OH . TYR B 2 157 ? 16.567 19.933 -49.732 1.00 44.14 ? 145 TYR H OH 1 ATOM 3921 N N . PHE B 2 158 ? 20.530 20.987 -43.921 1.00 34.82 ? 146 PHE H N 1 ATOM 3922 C CA . PHE B 2 158 ? 19.546 21.298 -42.894 1.00 35.29 ? 146 PHE H CA 1 ATOM 3923 C C . PHE B 2 158 ? 19.660 22.766 -42.488 1.00 39.74 ? 146 PHE H C 1 ATOM 3924 O O . PHE B 2 158 ? 20.766 23.281 -42.338 1.00 39.08 ? 146 PHE H O 1 ATOM 3925 C CB . PHE B 2 158 ? 19.737 20.394 -41.671 1.00 38.28 ? 146 PHE H CB 1 ATOM 3926 C CG . PHE B 2 158 ? 18.682 20.567 -40.615 1.00 42.29 ? 146 PHE H CG 1 ATOM 3927 C CD1 . PHE B 2 158 ? 18.828 21.519 -39.617 1.00 41.87 ? 146 PHE H CD1 1 ATOM 3928 C CD2 . PHE B 2 158 ? 17.545 19.775 -40.618 1.00 48.52 ? 146 PHE H CD2 1 ATOM 3929 C CE1 . PHE B 2 158 ? 17.855 21.683 -38.646 1.00 47.25 ? 146 PHE H CE1 1 ATOM 3930 C CE2 . PHE B 2 158 ? 16.571 19.931 -39.646 1.00 47.47 ? 146 PHE H CE2 1 ATOM 3931 C CZ . PHE B 2 158 ? 16.726 20.886 -38.661 1.00 47.95 ? 146 PHE H CZ 1 ATOM 3932 N N . PRO B 2 159 ? 18.518 23.451 -42.327 1.00 48.05 ? 147 PRO H N 1 ATOM 3933 C CA . PRO B 2 159 ? 17.178 22.945 -42.633 1.00 46.71 ? 147 PRO H CA 1 ATOM 3934 C C . PRO B 2 159 ? 16.798 23.221 -44.082 1.00 45.04 ? 147 PRO H C 1 ATOM 3935 O O . PRO B 2 159 ? 17.659 23.596 -44.879 1.00 43.26 ? 147 PRO H O 1 ATOM 3936 C CB . PRO B 2 159 ? 16.291 23.739 -41.680 1.00 39.71 ? 147 PRO H CB 1 ATOM 3937 C CG . PRO B 2 159 ? 16.974 25.070 -41.612 1.00 41.51 ? 147 PRO H CG 1 ATOM 3938 C CD . PRO B 2 159 ? 18.461 24.779 -41.688 1.00 46.68 ? 147 PRO H CD 1 ATOM 3939 N N . GLU B 2 160 ? 15.524 23.036 -44.413 1.00 39.80 ? 148 GLU H N 1 ATOM 3940 C CA . GLU B 2 160 ? 15.001 23.433 -45.714 1.00 43.17 ? 148 GLU H CA 1 ATOM 3941 C C . GLU B 2 160 ? 14.953 24.961 -45.798 1.00 43.44 ? 148 GLU H C 1 ATOM 3942 O O . GLU B 2 160 ? 14.918 25.633 -44.768 1.00 43.59 ? 148 GLU H O 1 ATOM 3943 C CB . GLU B 2 160 ? 13.609 22.828 -45.939 1.00 42.83 ? 148 GLU H CB 1 ATOM 3944 C CG . GLU B 2 160 ? 13.599 21.315 -46.081 1.00 46.33 ? 148 GLU H CG 1 ATOM 3945 C CD . GLU B 2 160 ? 12.941 20.856 -47.370 1.00 60.41 ? 148 GLU H CD 1 ATOM 3946 O OE1 . GLU B 2 160 ? 11.810 20.328 -47.304 1.00 66.30 ? 148 GLU H OE1 1 ATOM 3947 O OE2 . GLU B 2 160 ? 13.552 21.024 -48.447 1.00 67.88 ? 148 GLU H OE2 1 ATOM 3948 N N . PRO B 2 161 ? 14.949 25.520 -47.020 1.00 43.42 ? 149 PRO H N 1 ATOM 3949 C CA . PRO B 2 161 ? 15.038 24.843 -48.314 1.00 40.53 ? 149 PRO H CA 1 ATOM 3950 C C . PRO B 2 161 ? 16.353 25.087 -49.043 1.00 43.27 ? 149 PRO H C 1 ATOM 3951 O O . PRO B 2 161 ? 17.113 25.986 -48.676 1.00 40.73 ? 149 PRO H O 1 ATOM 3952 C CB . PRO B 2 161 ? 13.896 25.483 -49.091 1.00 42.09 ? 149 PRO H CB 1 ATOM 3953 C CG . PRO B 2 161 ? 13.972 26.936 -48.637 1.00 37.49 ? 149 PRO H CG 1 ATOM 3954 C CD . PRO B 2 161 ? 14.485 26.910 -47.191 1.00 47.33 ? 149 PRO H CD 1 ATOM 3955 N N . VAL B 2 162 ? 16.611 24.287 -50.071 1.00 36.05 ? 150 VAL H N 1 ATOM 3956 C CA . VAL B 2 162 ? 17.615 24.635 -51.064 1.00 44.84 ? 150 VAL H CA 1 ATOM 3957 C C . VAL B 2 162 ? 16.915 24.903 -52.389 1.00 44.56 ? 150 VAL H C 1 ATOM 3958 O O . VAL B 2 162 ? 15.844 24.357 -52.663 1.00 36.76 ? 150 VAL H O 1 ATOM 3959 C CB . VAL B 2 162 ? 18.676 23.531 -51.273 1.00 48.71 ? 150 VAL H CB 1 ATOM 3960 C CG1 . VAL B 2 162 ? 19.421 23.245 -49.992 1.00 46.48 ? 150 VAL H CG1 1 ATOM 3961 C CG2 . VAL B 2 162 ? 18.040 22.277 -51.810 1.00 53.59 ? 150 VAL H CG2 1 ATOM 3962 N N . THR B 2 163 ? 17.518 25.759 -53.201 1.00 42.82 ? 151 THR H N 1 ATOM 3963 C CA . THR B 2 163 ? 17.041 25.982 -54.555 1.00 34.97 ? 151 THR H CA 1 ATOM 3964 C C . THR B 2 163 ? 18.138 25.601 -55.528 1.00 35.10 ? 151 THR H C 1 ATOM 3965 O O . THR B 2 163 ? 19.322 25.623 -55.185 1.00 37.17 ? 151 THR H O 1 ATOM 3966 C CB . THR B 2 163 ? 16.635 27.441 -54.790 1.00 30.95 ? 151 THR H CB 1 ATOM 3967 O OG1 . THR B 2 163 ? 17.723 28.297 -54.422 1.00 38.09 ? 151 THR H OG1 1 ATOM 3968 C CG2 . THR B 2 163 ? 15.410 27.796 -53.955 1.00 40.10 ? 151 THR H CG2 1 ATOM 3969 N N . VAL B 2 164 ? 17.745 25.238 -56.741 1.00 34.88 ? 152 VAL H N 1 ATOM 3970 C CA . VAL B 2 164 ? 18.710 24.894 -57.771 1.00 31.74 ? 152 VAL H CA 1 ATOM 3971 C C . VAL B 2 164 ? 18.342 25.596 -59.069 1.00 41.08 ? 152 VAL H C 1 ATOM 3972 O O . VAL B 2 164 ? 17.181 25.590 -59.482 1.00 41.15 ? 152 VAL H O 1 ATOM 3973 C CB . VAL B 2 164 ? 18.778 23.370 -58.012 1.00 36.22 ? 152 VAL H CB 1 ATOM 3974 C CG1 . VAL B 2 164 ? 19.895 23.035 -58.992 1.00 39.04 ? 152 VAL H CG1 1 ATOM 3975 C CG2 . VAL B 2 164 ? 18.984 22.625 -56.702 1.00 33.02 ? 152 VAL H CG2 1 ATOM 3976 N N . SER B 2 165 ? 19.329 26.225 -59.694 1.00 43.25 ? 153 SER H N 1 ATOM 3977 C CA . SER B 2 165 ? 19.170 26.741 -61.045 1.00 36.50 ? 153 SER H CA 1 ATOM 3978 C C . SER B 2 165 ? 20.230 26.101 -61.927 1.00 41.65 ? 153 SER H C 1 ATOM 3979 O O . SER B 2 165 ? 21.138 25.434 -61.427 1.00 38.13 ? 153 SER H O 1 ATOM 3980 C CB . SER B 2 165 ? 19.288 28.266 -61.077 1.00 35.29 ? 153 SER H CB 1 ATOM 3981 O OG . SER B 2 165 ? 20.614 28.679 -60.795 1.00 45.04 ? 153 SER H OG 1 ATOM 3982 N N . TRP B 2 166 ? 20.113 26.294 -63.236 1.00 43.11 ? 154 TRP H N 1 ATOM 3983 C CA . TRP B 2 166 ? 21.099 25.762 -64.167 1.00 36.11 ? 154 TRP H CA 1 ATOM 3984 C C . TRP B 2 166 ? 21.648 26.866 -65.056 1.00 38.38 ? 154 TRP H C 1 ATOM 3985 O O . TRP B 2 166 ? 20.887 27.655 -65.618 1.00 39.19 ? 154 TRP H O 1 ATOM 3986 C CB . TRP B 2 166 ? 20.492 24.639 -65.015 1.00 35.57 ? 154 TRP H CB 1 ATOM 3987 C CG . TRP B 2 166 ? 20.290 23.378 -64.238 1.00 40.27 ? 154 TRP H CG 1 ATOM 3988 C CD1 . TRP B 2 166 ? 19.185 23.026 -63.515 1.00 38.67 ? 154 TRP H CD1 1 ATOM 3989 C CD2 . TRP B 2 166 ? 21.228 22.307 -64.086 1.00 42.56 ? 154 TRP H CD2 1 ATOM 3990 N NE1 . TRP B 2 166 ? 19.377 21.798 -62.929 1.00 40.48 ? 154 TRP H NE1 1 ATOM 3991 C CE2 . TRP B 2 166 ? 20.623 21.335 -63.264 1.00 45.00 ? 154 TRP H CE2 1 ATOM 3992 C CE3 . TRP B 2 166 ? 22.519 22.073 -64.570 1.00 42.78 ? 154 TRP H CE3 1 ATOM 3993 C CZ2 . TRP B 2 166 ? 21.264 20.145 -62.919 1.00 39.86 ? 154 TRP H CZ2 1 ATOM 3994 C CZ3 . TRP B 2 166 ? 23.155 20.894 -64.225 1.00 44.46 ? 154 TRP H CZ3 1 ATOM 3995 C CH2 . TRP B 2 166 ? 22.527 19.944 -63.408 1.00 37.67 ? 154 TRP H CH2 1 ATOM 3996 N N . ASN B 2 167 ? 22.974 26.909 -65.170 1.00 44.09 ? 155 ASN H N 1 ATOM 3997 C CA . ASN B 2 167 ? 23.669 27.946 -65.927 1.00 50.83 ? 155 ASN H CA 1 ATOM 3998 C C . ASN B 2 167 ? 23.185 29.336 -65.529 1.00 48.67 ? 155 ASN H C 1 ATOM 3999 O O . ASN B 2 167 ? 22.888 30.172 -66.385 1.00 43.71 ? 155 ASN H O 1 ATOM 4000 C CB . ASN B 2 167 ? 23.497 27.718 -67.432 1.00 41.93 ? 155 ASN H CB 1 ATOM 4001 C CG . ASN B 2 167 ? 24.207 26.464 -67.913 1.00 46.06 ? 155 ASN H CG 1 ATOM 4002 O OD1 . ASN B 2 167 ? 24.836 25.755 -67.126 1.00 48.54 ? 155 ASN H OD1 1 ATOM 4003 N ND2 . ASN B 2 167 ? 24.105 26.180 -69.207 1.00 45.93 ? 155 ASN H ND2 1 ATOM 4004 N N . SER B 2 168 ? 23.092 29.552 -64.218 1.00 44.39 ? 156 SER H N 1 ATOM 4005 C CA . SER B 2 168 ? 22.667 30.826 -63.639 1.00 47.52 ? 156 SER H CA 1 ATOM 4006 C C . SER B 2 168 ? 21.282 31.253 -64.123 1.00 47.86 ? 156 SER H C 1 ATOM 4007 O O . SER B 2 168 ? 20.992 32.446 -64.220 1.00 45.69 ? 156 SER H O 1 ATOM 4008 C CB . SER B 2 168 ? 23.692 31.920 -63.949 1.00 50.10 ? 156 SER H CB 1 ATOM 4009 O OG . SER B 2 168 ? 24.985 31.539 -63.507 1.00 49.90 ? 156 SER H OG 1 ATOM 4010 N N . GLY B 2 169 ? 20.433 30.274 -64.421 1.00 41.33 ? 157 GLY H N 1 ATOM 4011 C CA . GLY B 2 169 ? 19.063 30.548 -64.817 1.00 40.12 ? 157 GLY H CA 1 ATOM 4012 C C . GLY B 2 169 ? 18.854 30.657 -66.316 1.00 47.76 ? 157 GLY H C 1 ATOM 4013 O O . GLY B 2 169 ? 17.725 30.828 -66.777 1.00 51.29 ? 157 GLY H O 1 ATOM 4014 N N . ALA B 2 170 ? 19.938 30.560 -67.082 1.00 43.49 ? 158 ALA H N 1 ATOM 4015 C CA . ALA B 2 170 ? 19.848 30.637 -68.537 1.00 53.69 ? 158 ALA H CA 1 ATOM 4016 C C . ALA B 2 170 ? 19.264 29.352 -69.128 1.00 50.89 ? 158 ALA H C 1 ATOM 4017 O O . ALA B 2 170 ? 18.737 29.355 -70.241 1.00 50.63 ? 158 ALA H O 1 ATOM 4018 C CB . ALA B 2 170 ? 21.217 30.927 -69.139 1.00 52.64 ? 158 ALA H CB 1 ATOM 4019 N N . LEU B 2 171 ? 19.363 28.258 -68.381 1.00 46.31 ? 159 LEU H N 1 ATOM 4020 C CA . LEU B 2 171 ? 18.806 26.979 -68.814 1.00 46.03 ? 159 LEU H CA 1 ATOM 4021 C C . LEU B 2 171 ? 17.607 26.585 -67.954 1.00 44.98 ? 159 LEU H C 1 ATOM 4022 O O . LEU B 2 171 ? 17.752 26.306 -66.761 1.00 46.74 ? 159 LEU H O 1 ATOM 4023 C CB . LEU B 2 171 ? 19.872 25.881 -68.763 1.00 47.08 ? 159 LEU H CB 1 ATOM 4024 C CG . LEU B 2 171 ? 19.402 24.469 -69.130 1.00 38.57 ? 159 LEU H CG 1 ATOM 4025 C CD1 . LEU B 2 171 ? 18.901 24.427 -70.569 1.00 42.04 ? 159 LEU H CD1 1 ATOM 4026 C CD2 . LEU B 2 171 ? 20.513 23.451 -68.914 1.00 40.35 ? 159 LEU H CD2 1 ATOM 4027 N N . THR B 2 172 ? 16.425 26.562 -68.563 1.00 47.34 ? 160 THR H N 1 ATOM 4028 C CA . THR B 2 172 ? 15.195 26.245 -67.842 1.00 43.88 ? 160 THR H CA 1 ATOM 4029 C C . THR B 2 172 ? 14.420 25.092 -68.482 1.00 44.99 ? 160 THR H C 1 ATOM 4030 O O . THR B 2 172 ? 13.802 24.291 -67.783 1.00 44.35 ? 160 THR H O 1 ATOM 4031 C CB . THR B 2 172 ? 14.268 27.469 -67.758 1.00 51.05 ? 160 THR H CB 1 ATOM 4032 O OG1 . THR B 2 172 ? 13.937 27.904 -69.082 1.00 48.08 ? 160 THR H OG1 1 ATOM 4033 C CG2 . THR B 2 172 ? 14.950 28.608 -67.012 1.00 53.71 ? 160 THR H CG2 1 ATOM 4034 N N . SER B 2 173 ? 14.451 25.017 -69.811 1.00 42.12 ? 161 SER H N 1 ATOM 4035 C CA . SER B 2 173 ? 13.741 23.967 -70.538 1.00 47.92 ? 161 SER H CA 1 ATOM 4036 C C . SER B 2 173 ? 14.191 22.570 -70.115 1.00 37.70 ? 161 SER H C 1 ATOM 4037 O O . SER B 2 173 ? 15.381 22.260 -70.135 1.00 45.55 ? 161 SER H O 1 ATOM 4038 C CB . SER B 2 173 ? 13.940 24.133 -72.048 1.00 48.39 ? 161 SER H CB 1 ATOM 4039 O OG . SER B 2 173 ? 13.497 25.405 -72.484 1.00 74.97 ? 161 SER H OG 1 ATOM 4040 N N . GLY B 2 174 ? 13.232 21.734 -69.730 1.00 49.14 ? 162 GLY H N 1 ATOM 4041 C CA . GLY B 2 174 ? 13.513 20.348 -69.404 1.00 47.38 ? 162 GLY H CA 1 ATOM 4042 C C . GLY B 2 174 ? 14.146 20.156 -68.041 1.00 51.07 ? 162 GLY H C 1 ATOM 4043 O O . GLY B 2 174 ? 14.623 19.069 -67.716 1.00 41.80 ? 162 GLY H O 1 ATOM 4044 N N . VAL B 2 175 ? 14.153 21.216 -67.240 1.00 52.36 ? 163 VAL H N 1 ATOM 4045 C CA . VAL B 2 175 ? 14.692 21.146 -65.888 1.00 39.11 ? 163 VAL H CA 1 ATOM 4046 C C . VAL B 2 175 ? 13.637 20.633 -64.913 1.00 36.84 ? 163 VAL H C 1 ATOM 4047 O O . VAL B 2 175 ? 12.512 21.133 -64.885 1.00 38.70 ? 163 VAL H O 1 ATOM 4048 C CB . VAL B 2 175 ? 15.205 22.526 -65.410 1.00 38.27 ? 163 VAL H CB 1 ATOM 4049 C CG1 . VAL B 2 175 ? 15.586 22.483 -63.934 1.00 39.69 ? 163 VAL H CG1 1 ATOM 4050 C CG2 . VAL B 2 175 ? 16.383 22.988 -66.266 1.00 35.18 ? 163 VAL H CG2 1 ATOM 4051 N N . HIS B 2 176 ? 14.004 19.622 -64.131 1.00 38.58 ? 164 HIS H N 1 ATOM 4052 C CA . HIS B 2 176 ? 13.159 19.137 -63.044 1.00 36.52 ? 164 HIS H CA 1 ATOM 4053 C C . HIS B 2 176 ? 13.928 19.131 -61.729 1.00 37.68 ? 164 HIS H C 1 ATOM 4054 O O . HIS B 2 176 ? 14.904 18.396 -61.574 1.00 40.97 ? 164 HIS H O 1 ATOM 4055 C CB . HIS B 2 176 ? 12.634 17.727 -63.330 1.00 33.21 ? 164 HIS H CB 1 ATOM 4056 C CG . HIS B 2 176 ? 11.595 17.670 -64.406 1.00 40.90 ? 164 HIS H CG 1 ATOM 4057 N ND1 . HIS B 2 176 ? 10.420 18.386 -64.347 1.00 45.40 ? 164 HIS H ND1 1 ATOM 4058 C CD2 . HIS B 2 176 ? 11.547 16.963 -65.561 1.00 39.58 ? 164 HIS H CD2 1 ATOM 4059 C CE1 . HIS B 2 176 ? 9.698 18.134 -65.425 1.00 44.20 ? 164 HIS H CE1 1 ATOM 4060 N NE2 . HIS B 2 176 ? 10.360 17.273 -66.177 1.00 44.02 ? 164 HIS H NE2 1 ATOM 4061 N N . THR B 2 177 ? 13.484 19.957 -60.788 1.00 42.57 ? 165 THR H N 1 ATOM 4062 C CA . THR B 2 177 ? 14.019 19.938 -59.432 1.00 38.14 ? 165 THR H CA 1 ATOM 4063 C C . THR B 2 177 ? 12.987 19.317 -58.500 1.00 37.20 ? 165 THR H C 1 ATOM 4064 O O . THR B 2 177 ? 11.903 19.867 -58.306 1.00 34.58 ? 165 THR H O 1 ATOM 4065 C CB . THR B 2 177 ? 14.388 21.348 -58.942 1.00 42.60 ? 165 THR H CB 1 ATOM 4066 O OG1 . THR B 2 177 ? 15.392 21.901 -59.803 1.00 35.83 ? 165 THR H OG1 1 ATOM 4067 C CG2 . THR B 2 177 ? 14.923 21.298 -57.517 1.00 37.48 ? 165 THR H CG2 1 ATOM 4068 N N . PHE B 2 178 ? 13.326 18.163 -57.935 1.00 34.18 ? 166 PHE H N 1 ATOM 4069 C CA . PHE B 2 178 ? 12.382 17.388 -57.140 1.00 40.29 ? 166 PHE H CA 1 ATOM 4070 C C . PHE B 2 178 ? 12.250 17.920 -55.717 1.00 43.97 ? 166 PHE H C 1 ATOM 4071 O O . PHE B 2 178 ? 13.192 18.499 -55.175 1.00 35.86 ? 166 PHE H O 1 ATOM 4072 C CB . PHE B 2 178 ? 12.802 15.916 -57.111 1.00 40.63 ? 166 PHE H CB 1 ATOM 4073 C CG . PHE B 2 178 ? 12.736 15.250 -58.453 1.00 39.43 ? 166 PHE H CG 1 ATOM 4074 C CD1 . PHE B 2 178 ? 13.822 15.279 -59.311 1.00 43.11 ? 166 PHE H CD1 1 ATOM 4075 C CD2 . PHE B 2 178 ? 11.578 14.611 -58.866 1.00 38.62 ? 166 PHE H CD2 1 ATOM 4076 C CE1 . PHE B 2 178 ? 13.758 14.672 -60.554 1.00 43.76 ? 166 PHE H CE1 1 ATOM 4077 C CE2 . PHE B 2 178 ? 11.506 14.006 -60.107 1.00 38.09 ? 166 PHE H CE2 1 ATOM 4078 C CZ . PHE B 2 178 ? 12.598 14.035 -60.951 1.00 39.28 ? 166 PHE H CZ 1 ATOM 4079 N N . PRO B 2 179 ? 11.067 17.740 -55.113 1.00 43.61 ? 167 PRO H N 1 ATOM 4080 C CA . PRO B 2 179 ? 10.928 18.064 -53.692 1.00 42.01 ? 167 PRO H CA 1 ATOM 4081 C C . PRO B 2 179 ? 11.875 17.213 -52.857 1.00 36.95 ? 167 PRO H C 1 ATOM 4082 O O . PRO B 2 179 ? 12.085 16.039 -53.168 1.00 40.01 ? 167 PRO H O 1 ATOM 4083 C CB . PRO B 2 179 ? 9.460 17.740 -53.387 1.00 43.28 ? 167 PRO H CB 1 ATOM 4084 C CG . PRO B 2 179 ? 8.979 16.916 -54.538 1.00 45.95 ? 167 PRO H CG 1 ATOM 4085 C CD . PRO B 2 179 ? 9.792 17.319 -55.718 1.00 43.11 ? 167 PRO H CD 1 ATOM 4086 N N . ALA B 2 180 ? 12.455 17.814 -51.825 1.00 35.04 ? 168 ALA H N 1 ATOM 4087 C CA . ALA B 2 180 ? 13.419 17.133 -50.969 1.00 37.41 ? 168 ALA H CA 1 ATOM 4088 C C . ALA B 2 180 ? 12.782 15.998 -50.191 1.00 36.81 ? 168 ALA H C 1 ATOM 4089 O O . ALA B 2 180 ? 11.580 16.010 -49.928 1.00 44.24 ? 168 ALA H O 1 ATOM 4090 C CB . ALA B 2 180 ? 14.055 18.118 -50.008 1.00 37.44 ? 168 ALA H CB 1 ATOM 4091 N N . VAL B 2 181 ? 13.600 15.015 -49.827 1.00 34.94 ? 169 VAL H N 1 ATOM 4092 C CA . VAL B 2 181 ? 13.172 13.968 -48.917 1.00 44.36 ? 169 VAL H CA 1 ATOM 4093 C C . VAL B 2 181 ? 13.957 14.095 -47.616 1.00 48.56 ? 169 VAL H C 1 ATOM 4094 O O . VAL B 2 181 ? 15.101 14.555 -47.610 1.00 43.82 ? 169 VAL H O 1 ATOM 4095 C CB . VAL B 2 181 ? 13.369 12.555 -49.518 1.00 45.39 ? 169 VAL H CB 1 ATOM 4096 C CG1 . VAL B 2 181 ? 12.581 12.410 -50.813 1.00 38.25 ? 169 VAL H CG1 1 ATOM 4097 C CG2 . VAL B 2 181 ? 14.846 12.265 -49.751 1.00 44.62 ? 169 VAL H CG2 1 ATOM 4098 N N . LEU B 2 182 ? 13.329 13.709 -46.513 1.00 47.17 ? 170 LEU H N 1 ATOM 4099 C CA . LEU B 2 182 ? 14.002 13.696 -45.223 1.00 43.67 ? 170 LEU H CA 1 ATOM 4100 C C . LEU B 2 182 ? 14.610 12.320 -44.989 1.00 40.43 ? 170 LEU H C 1 ATOM 4101 O O . LEU B 2 182 ? 13.906 11.310 -45.004 1.00 44.29 ? 170 LEU H O 1 ATOM 4102 C CB . LEU B 2 182 ? 13.029 14.057 -44.100 1.00 45.36 ? 170 LEU H CB 1 ATOM 4103 C CG . LEU B 2 182 ? 13.587 14.106 -42.676 1.00 46.61 ? 170 LEU H CG 1 ATOM 4104 C CD1 . LEU B 2 182 ? 14.672 15.168 -42.545 1.00 47.69 ? 170 LEU H CD1 1 ATOM 4105 C CD2 . LEU B 2 182 ? 12.466 14.363 -41.688 1.00 44.49 ? 170 LEU H CD2 1 ATOM 4106 N N . GLN B 2 183 ? 15.922 12.285 -44.789 1.00 38.46 ? 171 GLN H N 1 ATOM 4107 C CA . GLN B 2 183 ? 16.636 11.030 -44.597 1.00 41.75 ? 171 GLN H CA 1 ATOM 4108 C C . GLN B 2 183 ? 16.607 10.580 -43.142 1.00 54.08 ? 171 GLN H C 1 ATOM 4109 O O . GLN B 2 183 ? 16.152 11.315 -42.265 1.00 51.89 ? 171 GLN H O 1 ATOM 4110 C CB . GLN B 2 183 ? 18.080 11.168 -45.073 1.00 42.08 ? 171 GLN H CB 1 ATOM 4111 C CG . GLN B 2 183 ? 18.207 11.524 -46.543 1.00 50.75 ? 171 GLN H CG 1 ATOM 4112 C CD . GLN B 2 183 ? 19.614 11.936 -46.915 1.00 57.75 ? 171 GLN H CD 1 ATOM 4113 O OE1 . GLN B 2 183 ? 20.268 11.286 -47.730 1.00 60.38 ? 171 GLN H OE1 1 ATOM 4114 N NE2 . GLN B 2 183 ? 20.089 13.024 -46.317 1.00 48.15 ? 171 GLN H NE2 1 ATOM 4115 N N . SER B 2 184 ? 17.100 9.368 -42.897 1.00 54.40 ? 172 SER H N 1 ATOM 4116 C CA . SER B 2 184 ? 17.136 8.791 -41.558 1.00 53.22 ? 172 SER H CA 1 ATOM 4117 C C . SER B 2 184 ? 18.036 9.588 -40.623 1.00 51.06 ? 172 SER H C 1 ATOM 4118 O O . SER B 2 184 ? 17.825 9.612 -39.414 1.00 51.16 ? 172 SER H O 1 ATOM 4119 C CB . SER B 2 184 ? 17.615 7.338 -41.617 1.00 61.10 ? 172 SER H CB 1 ATOM 4120 O OG . SER B 2 184 ? 16.803 6.565 -42.482 1.00 78.94 ? 172 SER H OG 1 ATOM 4121 N N . SER B 2 185 ? 19.044 10.236 -41.195 1.00 54.46 ? 173 SER H N 1 ATOM 4122 C CA . SER B 2 185 ? 20.013 10.998 -40.418 1.00 53.25 ? 173 SER H CA 1 ATOM 4123 C C . SER B 2 185 ? 19.423 12.296 -39.880 1.00 49.38 ? 173 SER H C 1 ATOM 4124 O O . SER B 2 185 ? 20.030 12.962 -39.042 1.00 48.23 ? 173 SER H O 1 ATOM 4125 C CB . SER B 2 185 ? 21.239 11.309 -41.272 1.00 49.04 ? 173 SER H CB 1 ATOM 4126 O OG . SER B 2 185 ? 20.860 12.042 -42.423 1.00 44.87 ? 173 SER H OG 1 ATOM 4127 N N . GLY B 2 186 ? 18.242 12.655 -40.372 1.00 42.62 ? 174 GLY H N 1 ATOM 4128 C CA . GLY B 2 186 ? 17.612 13.907 -40.001 1.00 40.77 ? 174 GLY H CA 1 ATOM 4129 C C . GLY B 2 186 ? 17.990 15.024 -40.956 1.00 45.80 ? 174 GLY H C 1 ATOM 4130 O O . GLY B 2 186 ? 17.558 16.163 -40.793 1.00 46.17 ? 174 GLY H O 1 ATOM 4131 N N . LEU B 2 187 ? 18.803 14.695 -41.956 1.00 48.32 ? 175 LEU H N 1 ATOM 4132 C CA . LEU B 2 187 ? 19.232 15.676 -42.948 1.00 47.50 ? 175 LEU H CA 1 ATOM 4133 C C . LEU B 2 187 ? 18.455 15.507 -44.253 1.00 43.86 ? 175 LEU H C 1 ATOM 4134 O O . LEU B 2 187 ? 18.000 14.410 -44.580 1.00 46.08 ? 175 LEU H O 1 ATOM 4135 C CB . LEU B 2 187 ? 20.736 15.554 -43.205 1.00 47.86 ? 175 LEU H CB 1 ATOM 4136 C CG . LEU B 2 187 ? 21.646 15.610 -41.972 1.00 46.22 ? 175 LEU H CG 1 ATOM 4137 C CD1 . LEU B 2 187 ? 23.089 15.315 -42.360 1.00 43.48 ? 175 LEU H CD1 1 ATOM 4138 C CD2 . LEU B 2 187 ? 21.545 16.961 -41.274 1.00 38.54 ? 175 LEU H CD2 1 ATOM 4139 N N . TYR B 2 188 ? 18.303 16.598 -44.996 1.00 41.14 ? 176 TYR H N 1 ATOM 4140 C CA . TYR B 2 188 ? 17.522 16.575 -46.228 1.00 33.89 ? 176 TYR H CA 1 ATOM 4141 C C . TYR B 2 188 ? 18.376 16.256 -47.447 1.00 39.05 ? 176 TYR H C 1 ATOM 4142 O O . TYR B 2 188 ? 19.598 16.413 -47.428 1.00 40.42 ? 176 TYR H O 1 ATOM 4143 C CB . TYR B 2 188 ? 16.810 17.915 -46.433 1.00 36.69 ? 176 TYR H CB 1 ATOM 4144 C CG . TYR B 2 188 ? 15.715 18.176 -45.426 1.00 39.56 ? 176 TYR H CG 1 ATOM 4145 C CD1 . TYR B 2 188 ? 15.993 18.793 -44.211 1.00 40.65 ? 176 TYR H CD1 1 ATOM 4146 C CD2 . TYR B 2 188 ? 14.404 17.796 -45.684 1.00 36.22 ? 176 TYR H CD2 1 ATOM 4147 C CE1 . TYR B 2 188 ? 14.993 19.028 -43.282 1.00 42.33 ? 176 TYR H CE1 1 ATOM 4148 C CE2 . TYR B 2 188 ? 13.397 18.025 -44.761 1.00 41.19 ? 176 TYR H CE2 1 ATOM 4149 C CZ . TYR B 2 188 ? 13.698 18.642 -43.564 1.00 43.59 ? 176 TYR H CZ 1 ATOM 4150 O OH . TYR B 2 188 ? 12.700 18.873 -42.648 1.00 46.53 ? 176 TYR H OH 1 ATOM 4151 N N . SER B 2 189 ? 17.717 15.810 -48.510 1.00 40.79 ? 177 SER H N 1 ATOM 4152 C CA . SER B 2 189 ? 18.387 15.504 -49.766 1.00 40.51 ? 177 SER H CA 1 ATOM 4153 C C . SER B 2 189 ? 17.450 15.740 -50.945 1.00 37.89 ? 177 SER H C 1 ATOM 4154 O O . SER B 2 189 ? 16.255 15.458 -50.862 1.00 40.38 ? 177 SER H O 1 ATOM 4155 C CB . SER B 2 189 ? 18.885 14.055 -49.770 1.00 39.46 ? 177 SER H CB 1 ATOM 4156 O OG . SER B 2 189 ? 19.452 13.715 -51.022 1.00 48.72 ? 177 SER H OG 1 ATOM 4157 N N . LEU B 2 190 ? 17.984 16.273 -52.038 1.00 42.23 ? 178 LEU H N 1 ATOM 4158 C CA . LEU B 2 190 ? 17.207 16.353 -53.267 1.00 39.81 ? 178 LEU H CA 1 ATOM 4159 C C . LEU B 2 190 ? 18.094 16.289 -54.495 1.00 42.93 ? 178 LEU H C 1 ATOM 4160 O O . LEU B 2 190 ? 19.319 16.380 -54.407 1.00 42.30 ? 178 LEU H O 1 ATOM 4161 C CB . LEU B 2 190 ? 16.344 17.626 -53.304 1.00 33.73 ? 178 LEU H CB 1 ATOM 4162 C CG . LEU B 2 190 ? 16.862 19.062 -53.439 1.00 44.10 ? 178 LEU H CG 1 ATOM 4163 C CD1 . LEU B 2 190 ? 17.399 19.388 -54.830 1.00 42.98 ? 178 LEU H CD1 1 ATOM 4164 C CD2 . LEU B 2 190 ? 15.721 20.007 -53.099 1.00 51.91 ? 178 LEU H CD2 1 ATOM 4165 N N . SER B 2 191 ? 17.453 16.146 -55.647 1.00 32.51 ? 179 SER H N 1 ATOM 4166 C CA . SER B 2 191 ? 18.160 16.143 -56.912 1.00 40.16 ? 179 SER H CA 1 ATOM 4167 C C . SER B 2 191 ? 17.505 17.114 -57.876 1.00 36.26 ? 179 SER H C 1 ATOM 4168 O O . SER B 2 191 ? 16.305 17.379 -57.796 1.00 38.19 ? 179 SER H O 1 ATOM 4169 C CB . SER B 2 191 ? 18.189 14.737 -57.512 1.00 51.09 ? 179 SER H CB 1 ATOM 4170 O OG . SER B 2 191 ? 16.874 14.241 -57.692 1.00 59.05 ? 179 SER H OG 1 ATOM 4171 N N . SER B 2 192 ? 18.310 17.659 -58.775 1.00 39.35 ? 180 SER H N 1 ATOM 4172 C CA . SER B 2 192 ? 17.795 18.454 -59.875 1.00 42.97 ? 180 SER H CA 1 ATOM 4173 C C . SER B 2 192 ? 18.356 17.868 -61.157 1.00 41.28 ? 180 SER H C 1 ATOM 4174 O O . SER B 2 192 ? 19.548 17.580 -61.234 1.00 39.31 ? 180 SER H O 1 ATOM 4175 C CB . SER B 2 192 ? 18.181 19.924 -59.721 1.00 38.77 ? 180 SER H CB 1 ATOM 4176 O OG . SER B 2 192 ? 17.601 20.722 -60.740 1.00 39.94 ? 180 SER H OG 1 ATOM 4177 N N . VAL B 2 193 ? 17.496 17.660 -62.147 1.00 42.71 ? 181 VAL H N 1 ATOM 4178 C CA . VAL B 2 193 ? 17.934 17.093 -63.416 1.00 41.01 ? 181 VAL H CA 1 ATOM 4179 C C . VAL B 2 193 ? 17.503 17.962 -64.587 1.00 38.56 ? 181 VAL H C 1 ATOM 4180 O O . VAL B 2 193 ? 16.613 18.803 -64.465 1.00 38.78 ? 181 VAL H O 1 ATOM 4181 C CB . VAL B 2 193 ? 17.389 15.664 -63.631 1.00 40.43 ? 181 VAL H CB 1 ATOM 4182 C CG1 . VAL B 2 193 ? 17.874 14.731 -62.527 1.00 39.25 ? 181 VAL H CG1 1 ATOM 4183 C CG2 . VAL B 2 193 ? 15.870 15.674 -63.703 1.00 38.56 ? 181 VAL H CG2 1 ATOM 4184 N N . VAL B 2 194 ? 18.150 17.749 -65.725 1.00 43.14 ? 182 VAL H N 1 ATOM 4185 C CA . VAL B 2 194 ? 17.793 18.437 -66.954 1.00 40.37 ? 182 VAL H CA 1 ATOM 4186 C C . VAL B 2 194 ? 18.102 17.524 -68.131 1.00 43.91 ? 182 VAL H C 1 ATOM 4187 O O . VAL B 2 194 ? 19.118 16.826 -68.139 1.00 42.82 ? 182 VAL H O 1 ATOM 4188 C CB . VAL B 2 194 ? 18.545 19.781 -67.094 1.00 37.28 ? 182 VAL H CB 1 ATOM 4189 C CG1 . VAL B 2 194 ? 20.051 19.573 -66.969 1.00 38.35 ? 182 VAL H CG1 1 ATOM 4190 C CG2 . VAL B 2 194 ? 18.189 20.477 -68.406 1.00 40.28 ? 182 VAL H CG2 1 ATOM 4191 N N . THR B 2 195 ? 17.202 17.500 -69.108 1.00 44.88 ? 183 THR H N 1 ATOM 4192 C CA . THR B 2 195 ? 17.435 16.754 -70.334 1.00 50.32 ? 183 THR H CA 1 ATOM 4193 C C . THR B 2 195 ? 17.892 17.706 -71.433 1.00 51.46 ? 183 THR H C 1 ATOM 4194 O O . THR B 2 195 ? 17.302 18.768 -71.632 1.00 48.97 ? 183 THR H O 1 ATOM 4195 C CB . THR B 2 195 ? 16.177 15.992 -70.783 1.00 51.10 ? 183 THR H CB 1 ATOM 4196 O OG1 . THR B 2 195 ? 15.037 16.852 -70.682 1.00 53.60 ? 183 THR H OG1 1 ATOM 4197 C CG2 . THR B 2 195 ? 15.954 14.774 -69.897 1.00 49.32 ? 183 THR H CG2 1 ATOM 4198 N N . VAL B 2 196 ? 18.963 17.330 -72.126 1.00 46.98 ? 184 VAL H N 1 ATOM 4199 C CA . VAL B 2 196 ? 19.558 18.171 -73.158 1.00 46.26 ? 184 VAL H CA 1 ATOM 4200 C C . VAL B 2 196 ? 19.897 17.328 -74.383 1.00 54.67 ? 184 VAL H C 1 ATOM 4201 O O . VAL B 2 196 ? 20.018 16.107 -74.275 1.00 56.50 ? 184 VAL H O 1 ATOM 4202 C CB . VAL B 2 196 ? 20.837 18.877 -72.645 1.00 48.30 ? 184 VAL H CB 1 ATOM 4203 C CG1 . VAL B 2 196 ? 20.526 19.759 -71.439 1.00 47.29 ? 184 VAL H CG1 1 ATOM 4204 C CG2 . VAL B 2 196 ? 21.906 17.854 -72.300 1.00 52.81 ? 184 VAL H CG2 1 ATOM 4205 N N . PRO B 2 197 ? 20.032 17.970 -75.558 1.00 54.80 ? 185 PRO H N 1 ATOM 4206 C CA . PRO B 2 197 ? 20.496 17.232 -76.738 1.00 62.63 ? 185 PRO H CA 1 ATOM 4207 C C . PRO B 2 197 ? 21.857 16.586 -76.494 1.00 63.02 ? 185 PRO H C 1 ATOM 4208 O O . PRO B 2 197 ? 22.760 17.234 -75.966 1.00 67.13 ? 185 PRO H O 1 ATOM 4209 C CB . PRO B 2 197 ? 20.588 18.315 -77.817 1.00 62.74 ? 185 PRO H CB 1 ATOM 4210 C CG . PRO B 2 197 ? 19.599 19.343 -77.395 1.00 51.65 ? 185 PRO H CG 1 ATOM 4211 C CD . PRO B 2 197 ? 19.649 19.354 -75.892 1.00 53.10 ? 185 PRO H CD 1 ATOM 4212 N N . SER B 2 198 ? 21.992 15.319 -76.866 1.00 63.02 ? 186 SER H N 1 ATOM 4213 C CA . SER B 2 198 ? 23.232 14.587 -76.642 1.00 69.03 ? 186 SER H CA 1 ATOM 4214 C C . SER B 2 198 ? 24.403 15.187 -77.421 1.00 68.09 ? 186 SER H C 1 ATOM 4215 O O . SER B 2 198 ? 25.553 15.089 -76.998 1.00 72.30 ? 186 SER H O 1 ATOM 4216 C CB . SER B 2 198 ? 23.051 13.116 -77.017 1.00 78.52 ? 186 SER H CB 1 ATOM 4217 O OG . SER B 2 198 ? 24.215 12.367 -76.717 1.00 88.94 ? 186 SER H OG 1 ATOM 4218 N N . SER B 2 199 ? 24.103 15.817 -78.553 1.00 59.41 ? 187 SER H N 1 ATOM 4219 C CA . SER B 2 199 ? 25.134 16.423 -79.391 1.00 62.09 ? 187 SER H CA 1 ATOM 4220 C C . SER B 2 199 ? 25.699 17.725 -78.812 1.00 60.23 ? 187 SER H C 1 ATOM 4221 O O . SER B 2 199 ? 26.634 18.299 -79.367 1.00 62.39 ? 187 SER H O 1 ATOM 4222 C CB . SER B 2 199 ? 24.581 16.685 -80.792 1.00 69.93 ? 187 SER H CB 1 ATOM 4223 O OG . SER B 2 199 ? 23.451 17.537 -80.736 1.00 72.99 ? 187 SER H OG 1 ATOM 4224 N N . SER B 2 200 ? 25.135 18.191 -77.702 1.00 61.62 ? 188 SER H N 1 ATOM 4225 C CA . SER B 2 200 ? 25.594 19.434 -77.087 1.00 63.67 ? 188 SER H CA 1 ATOM 4226 C C . SER B 2 200 ? 26.573 19.171 -75.945 1.00 64.85 ? 188 SER H C 1 ATOM 4227 O O . SER B 2 200 ? 27.132 20.105 -75.369 1.00 65.61 ? 188 SER H O 1 ATOM 4228 C CB . SER B 2 200 ? 24.405 20.249 -76.569 1.00 65.94 ? 188 SER H CB 1 ATOM 4229 O OG . SER B 2 200 ? 23.861 19.673 -75.390 1.00 61.61 ? 188 SER H OG 1 ATOM 4230 N N . LEU B 2 201 ? 26.780 17.896 -75.630 1.00 61.03 ? 189 LEU H N 1 ATOM 4231 C CA . LEU B 2 201 ? 27.555 17.502 -74.456 1.00 65.46 ? 189 LEU H CA 1 ATOM 4232 C C . LEU B 2 201 ? 29.043 17.844 -74.546 1.00 62.90 ? 189 LEU H C 1 ATOM 4233 O O . LEU B 2 201 ? 29.717 17.964 -73.523 1.00 63.89 ? 189 LEU H O 1 ATOM 4234 C CB . LEU B 2 201 ? 27.390 16.002 -74.207 1.00 65.75 ? 189 LEU H CB 1 ATOM 4235 C CG . LEU B 2 201 ? 26.013 15.587 -73.688 1.00 61.48 ? 189 LEU H CG 1 ATOM 4236 C CD1 . LEU B 2 201 ? 25.952 14.089 -73.455 1.00 58.09 ? 189 LEU H CD1 1 ATOM 4237 C CD2 . LEU B 2 201 ? 25.683 16.351 -72.411 1.00 56.77 ? 189 LEU H CD2 1 ATOM 4238 N N . GLY B 2 202 ? 29.554 17.998 -75.761 1.00 60.04 ? 190 GLY H N 1 ATOM 4239 C CA . GLY B 2 202 ? 30.954 18.331 -75.947 1.00 71.58 ? 190 GLY H CA 1 ATOM 4240 C C . GLY B 2 202 ? 31.155 19.788 -76.311 1.00 75.48 ? 190 GLY H C 1 ATOM 4241 O O . GLY B 2 202 ? 32.279 20.230 -76.552 1.00 77.42 ? 190 GLY H O 1 ATOM 4242 N N . THR B 2 203 ? 30.058 20.537 -76.346 1.00 75.71 ? 191 THR H N 1 ATOM 4243 C CA . THR B 2 203 ? 30.101 21.943 -76.729 1.00 73.30 ? 191 THR H CA 1 ATOM 4244 C C . THR B 2 203 ? 29.654 22.857 -75.588 1.00 63.57 ? 191 THR H C 1 ATOM 4245 O O . THR B 2 203 ? 30.392 23.753 -75.178 1.00 62.65 ? 191 THR H O 1 ATOM 4246 C CB . THR B 2 203 ? 29.220 22.211 -77.966 1.00 75.33 ? 191 THR H CB 1 ATOM 4247 O OG1 . THR B 2 203 ? 29.645 21.372 -79.048 1.00 84.09 ? 191 THR H OG1 1 ATOM 4248 C CG2 . THR B 2 203 ? 29.322 23.670 -78.392 1.00 75.50 ? 191 THR H CG2 1 ATOM 4249 N N . GLN B 2 204 ? 28.450 22.623 -75.075 1.00 55.26 ? 192 GLN H N 1 ATOM 4250 C CA . GLN B 2 204 ? 27.884 23.482 -74.042 1.00 58.73 ? 192 GLN H CA 1 ATOM 4251 C C . GLN B 2 204 ? 28.248 23.013 -72.636 1.00 62.40 ? 192 GLN H C 1 ATOM 4252 O O . GLN B 2 204 ? 28.248 21.816 -72.347 1.00 61.45 ? 192 GLN H O 1 ATOM 4253 C CB . GLN B 2 204 ? 26.362 23.559 -74.186 1.00 69.76 ? 192 GLN H CB 1 ATOM 4254 C CG . GLN B 2 204 ? 25.693 24.523 -73.212 1.00 83.68 ? 192 GLN H CG 1 ATOM 4255 C CD . GLN B 2 204 ? 26.160 25.959 -73.393 1.00 87.56 ? 192 GLN H CD 1 ATOM 4256 O OE1 . GLN B 2 204 ? 26.550 26.363 -74.490 1.00 96.75 ? 192 GLN H OE1 1 ATOM 4257 N NE2 . GLN B 2 204 ? 26.123 26.736 -72.314 1.00 62.21 ? 192 GLN H NE2 1 ATOM 4258 N N . THR B 2 205 ? 28.557 23.970 -71.766 1.00 53.36 ? 193 THR H N 1 ATOM 4259 C CA . THR B 2 205 ? 28.882 23.678 -70.376 1.00 55.66 ? 193 THR H CA 1 ATOM 4260 C C . THR B 2 205 ? 27.619 23.689 -69.517 1.00 57.72 ? 193 THR H C 1 ATOM 4261 O O . THR B 2 205 ? 26.780 24.581 -69.645 1.00 60.49 ? 193 THR H O 1 ATOM 4262 C CB . THR B 2 205 ? 29.902 24.692 -69.818 1.00 53.76 ? 193 THR H CB 1 ATOM 4263 O OG1 . THR B 2 205 ? 31.157 24.520 -70.486 1.00 58.30 ? 193 THR H OG1 1 ATOM 4264 C CG2 . THR B 2 205 ? 30.104 24.494 -68.324 1.00 50.72 ? 193 THR H CG2 1 ATOM 4265 N N . TYR B 2 206 ? 27.478 22.690 -68.650 1.00 55.23 ? 194 TYR H N 1 ATOM 4266 C CA . TYR B 2 206 ? 26.310 22.601 -67.782 1.00 53.09 ? 194 TYR H CA 1 ATOM 4267 C C . TYR B 2 206 ? 26.693 22.711 -66.312 1.00 49.80 ? 194 TYR H C 1 ATOM 4268 O O . TYR B 2 206 ? 27.417 21.871 -65.780 1.00 47.83 ? 194 TYR H O 1 ATOM 4269 C CB . TYR B 2 206 ? 25.550 21.300 -68.048 1.00 49.39 ? 194 TYR H CB 1 ATOM 4270 C CG . TYR B 2 206 ? 24.978 21.258 -69.443 1.00 53.71 ? 194 TYR H CG 1 ATOM 4271 C CD1 . TYR B 2 206 ? 23.897 22.058 -69.789 1.00 52.32 ? 194 TYR H CD1 1 ATOM 4272 C CD2 . TYR B 2 206 ? 25.534 20.445 -70.423 1.00 51.72 ? 194 TYR H CD2 1 ATOM 4273 C CE1 . TYR B 2 206 ? 23.375 22.042 -71.066 1.00 53.67 ? 194 TYR H CE1 1 ATOM 4274 C CE2 . TYR B 2 206 ? 25.017 20.421 -71.706 1.00 47.03 ? 194 TYR H CE2 1 ATOM 4275 C CZ . TYR B 2 206 ? 23.937 21.222 -72.020 1.00 49.51 ? 194 TYR H CZ 1 ATOM 4276 O OH . TYR B 2 206 ? 23.412 21.208 -73.291 1.00 49.98 ? 194 TYR H OH 1 ATOM 4277 N N . ILE B 2 207 ? 26.204 23.767 -65.670 1.00 49.47 ? 195 ILE H N 1 ATOM 4278 C CA . ILE B 2 207 ? 26.512 24.038 -64.272 1.00 48.25 ? 195 ILE H CA 1 ATOM 4279 C C . ILE B 2 207 ? 25.234 24.228 -63.464 1.00 43.25 ? 195 ILE H C 1 ATOM 4280 O O . ILE B 2 207 ? 24.402 25.071 -63.796 1.00 47.11 ? 195 ILE H O 1 ATOM 4281 C CB . ILE B 2 207 ? 27.388 25.301 -64.120 1.00 48.81 ? 195 ILE H CB 1 ATOM 4282 C CG1 . ILE B 2 207 ? 28.630 25.208 -65.009 1.00 48.55 ? 195 ILE H CG1 1 ATOM 4283 C CG2 . ILE B 2 207 ? 27.772 25.515 -62.661 1.00 39.77 ? 195 ILE H CG2 1 ATOM 4284 C CD1 . ILE B 2 207 ? 29.405 26.504 -65.109 1.00 58.54 ? 195 ILE H CD1 1 ATOM 4285 N N . CYS B 2 208 ? 25.074 23.438 -62.408 1.00 36.30 ? 196 CYS H N 1 ATOM 4286 C CA . CYS B 2 208 ? 23.952 23.632 -61.502 1.00 42.82 ? 196 CYS H CA 1 ATOM 4287 C C . CYS B 2 208 ? 24.375 24.568 -60.380 1.00 37.89 ? 196 CYS H C 1 ATOM 4288 O O . CYS B 2 208 ? 25.480 24.456 -59.848 1.00 40.81 ? 196 CYS H O 1 ATOM 4289 C CB . CYS B 2 208 ? 23.458 22.300 -60.931 1.00 39.83 ? 196 CYS H CB 1 ATOM 4290 S SG . CYS B 2 208 ? 24.521 21.596 -59.659 1.00 47.25 ? 196 CYS H SG 1 ATOM 4291 N N . ASN B 2 209 ? 23.500 25.504 -60.037 1.00 38.23 ? 197 ASN H N 1 ATOM 4292 C CA . ASN B 2 209 ? 23.784 26.452 -58.970 1.00 35.39 ? 197 ASN H CA 1 ATOM 4293 C C . ASN B 2 209 ? 22.910 26.159 -57.762 1.00 36.43 ? 197 ASN H C 1 ATOM 4294 O O . ASN B 2 209 ? 21.694 26.343 -57.804 1.00 43.80 ? 197 ASN H O 1 ATOM 4295 C CB . ASN B 2 209 ? 23.569 27.887 -59.454 1.00 33.92 ? 197 ASN H CB 1 ATOM 4296 C CG . ASN B 2 209 ? 23.974 28.077 -60.908 1.00 44.11 ? 197 ASN H CG 1 ATOM 4297 O OD1 . ASN B 2 209 ? 23.128 28.074 -61.802 1.00 39.67 ? 197 ASN H OD1 1 ATOM 4298 N ND2 . ASN B 2 209 ? 25.272 28.231 -61.150 1.00 37.04 ? 197 ASN H ND2 1 ATOM 4299 N N . VAL B 2 210 ? 23.534 25.685 -56.691 1.00 35.92 ? 198 VAL H N 1 ATOM 4300 C CA . VAL B 2 210 ? 22.805 25.325 -55.484 1.00 36.30 ? 198 VAL H CA 1 ATOM 4301 C C . VAL B 2 210 ? 22.859 26.469 -54.486 1.00 38.85 ? 198 VAL H C 1 ATOM 4302 O O . VAL B 2 210 ? 23.937 26.974 -54.174 1.00 33.71 ? 198 VAL H O 1 ATOM 4303 C CB . VAL B 2 210 ? 23.374 24.048 -54.835 1.00 39.54 ? 198 VAL H CB 1 ATOM 4304 C CG1 . VAL B 2 210 ? 22.539 23.645 -53.630 1.00 33.37 ? 198 VAL H CG1 1 ATOM 4305 C CG2 . VAL B 2 210 ? 23.432 22.918 -55.852 1.00 37.55 ? 198 VAL H CG2 1 ATOM 4306 N N . ASN B 2 211 ? 21.693 26.886 -54.004 1.00 38.00 ? 199 ASN H N 1 ATOM 4307 C CA . ASN B 2 211 ? 21.605 27.927 -52.988 1.00 36.33 ? 199 ASN H CA 1 ATOM 4308 C C . ASN B 2 211 ? 20.983 27.393 -51.702 1.00 39.84 ? 199 ASN H C 1 ATOM 4309 O O . ASN B 2 211 ? 19.947 26.728 -51.738 1.00 33.29 ? 199 ASN H O 1 ATOM 4310 C CB . ASN B 2 211 ? 20.793 29.120 -53.501 1.00 38.95 ? 199 ASN H CB 1 ATOM 4311 C CG . ASN B 2 211 ? 21.514 29.898 -54.589 1.00 37.69 ? 199 ASN H CG 1 ATOM 4312 O OD1 . ASN B 2 211 ? 22.581 29.502 -55.056 1.00 46.47 ? 199 ASN H OD1 1 ATOM 4313 N ND2 . ASN B 2 211 ? 20.927 31.010 -54.999 1.00 35.94 ? 199 ASN H ND2 1 ATOM 4314 N N . HIS B 2 212 ? 21.621 27.684 -50.573 1.00 35.69 ? 200 HIS H N 1 ATOM 4315 C CA . HIS B 2 212 ? 21.102 27.293 -49.266 1.00 38.69 ? 200 HIS H CA 1 ATOM 4316 C C . HIS B 2 212 ? 21.252 28.460 -48.298 1.00 41.13 ? 200 HIS H C 1 ATOM 4317 O O . HIS B 2 212 ? 22.287 28.623 -47.649 1.00 39.77 ? 200 HIS H O 1 ATOM 4318 C CB . HIS B 2 212 ? 21.825 26.047 -48.740 1.00 36.91 ? 200 HIS H CB 1 ATOM 4319 C CG . HIS B 2 212 ? 21.228 25.481 -47.487 1.00 44.91 ? 200 HIS H CG 1 ATOM 4320 N ND1 . HIS B 2 212 ? 21.942 25.354 -46.314 1.00 45.42 ? 200 HIS H ND1 1 ATOM 4321 C CD2 . HIS B 2 212 ? 19.988 25.006 -47.223 1.00 35.95 ? 200 HIS H CD2 1 ATOM 4322 C CE1 . HIS B 2 212 ? 21.168 24.827 -45.384 1.00 42.89 ? 200 HIS H CE1 1 ATOM 4323 N NE2 . HIS B 2 212 ? 19.976 24.605 -45.909 1.00 39.58 ? 200 HIS H NE2 1 ATOM 4324 N N . LYS B 2 213 ? 20.209 29.280 -48.227 1.00 37.91 ? 201 LYS H N 1 ATOM 4325 C CA . LYS B 2 213 ? 20.218 30.497 -47.423 1.00 39.88 ? 201 LYS H CA 1 ATOM 4326 C C . LYS B 2 213 ? 20.488 30.291 -45.919 1.00 41.09 ? 201 LYS H C 1 ATOM 4327 O O . LYS B 2 213 ? 21.241 31.070 -45.334 1.00 41.38 ? 201 LYS H O 1 ATOM 4328 C CB . LYS B 2 213 ? 18.892 31.244 -47.613 1.00 38.90 ? 201 LYS H CB 1 ATOM 4329 C CG . LYS B 2 213 ? 18.850 32.627 -46.981 1.00 45.09 ? 201 LYS H CG 1 ATOM 4330 C CD . LYS B 2 213 ? 17.546 33.333 -47.308 1.00 46.23 ? 201 LYS H CD 1 ATOM 4331 C CE . LYS B 2 213 ? 17.391 34.618 -46.509 1.00 55.33 ? 201 LYS H CE 1 ATOM 4332 N NZ . LYS B 2 213 ? 18.544 35.532 -46.704 1.00 62.93 ? 201 LYS H NZ 1 ATOM 4333 N N . PRO B 2 214 ? 19.882 29.260 -45.285 1.00 44.38 ? 202 PRO H N 1 ATOM 4334 C CA . PRO B 2 214 ? 20.142 29.111 -43.844 1.00 48.79 ? 202 PRO H CA 1 ATOM 4335 C C . PRO B 2 214 ? 21.621 28.947 -43.482 1.00 44.45 ? 202 PRO H C 1 ATOM 4336 O O . PRO B 2 214 ? 22.033 29.400 -42.417 1.00 46.83 ? 202 PRO H O 1 ATOM 4337 C CB . PRO B 2 214 ? 19.362 27.844 -43.478 1.00 42.80 ? 202 PRO H CB 1 ATOM 4338 C CG . PRO B 2 214 ? 18.269 27.778 -44.477 1.00 42.85 ? 202 PRO H CG 1 ATOM 4339 C CD . PRO B 2 214 ? 18.870 28.290 -45.751 1.00 39.45 ? 202 PRO H CD 1 ATOM 4340 N N . SER B 2 215 ? 22.404 28.321 -44.355 1.00 41.69 ? 203 SER H N 1 ATOM 4341 C CA . SER B 2 215 ? 23.824 28.120 -44.079 1.00 47.33 ? 203 SER H CA 1 ATOM 4342 C C . SER B 2 215 ? 24.696 29.109 -44.841 1.00 51.65 ? 203 SER H C 1 ATOM 4343 O O . SER B 2 215 ? 25.923 29.001 -44.823 1.00 49.91 ? 203 SER H O 1 ATOM 4344 C CB . SER B 2 215 ? 24.243 26.691 -44.428 1.00 41.08 ? 203 SER H CB 1 ATOM 4345 O OG . SER B 2 215 ? 24.147 26.461 -45.824 1.00 39.47 ? 203 SER H OG 1 ATOM 4346 N N . ASN B 2 216 ? 24.053 30.066 -45.507 1.00 53.10 ? 204 ASN H N 1 ATOM 4347 C CA . ASN B 2 216 ? 24.749 31.062 -46.320 1.00 44.73 ? 204 ASN H CA 1 ATOM 4348 C C . ASN B 2 216 ? 25.661 30.403 -47.356 1.00 45.46 ? 204 ASN H C 1 ATOM 4349 O O . ASN B 2 216 ? 26.803 30.818 -47.553 1.00 51.35 ? 204 ASN H O 1 ATOM 4350 C CB . ASN B 2 216 ? 25.554 32.012 -45.430 1.00 53.45 ? 204 ASN H CB 1 ATOM 4351 C CG . ASN B 2 216 ? 25.970 33.279 -46.154 1.00 59.46 ? 204 ASN H CG 1 ATOM 4352 O OD1 . ASN B 2 216 ? 25.263 33.762 -47.037 1.00 64.77 ? 204 ASN H OD1 1 ATOM 4353 N ND2 . ASN B 2 216 ? 27.127 33.817 -45.788 1.00 56.95 ? 204 ASN H ND2 1 ATOM 4354 N N . THR B 2 217 ? 25.144 29.371 -48.017 1.00 37.88 ? 205 THR H N 1 ATOM 4355 C CA . THR B 2 217 ? 25.942 28.589 -48.955 1.00 41.60 ? 205 THR H CA 1 ATOM 4356 C C . THR B 2 217 ? 25.451 28.712 -50.394 1.00 38.95 ? 205 THR H C 1 ATOM 4357 O O . THR B 2 217 ? 24.273 28.502 -50.680 1.00 44.01 ? 205 THR H O 1 ATOM 4358 C CB . THR B 2 217 ? 25.949 27.097 -48.569 1.00 43.82 ? 205 THR H CB 1 ATOM 4359 O OG1 . THR B 2 217 ? 26.527 26.940 -47.267 1.00 53.37 ? 205 THR H OG1 1 ATOM 4360 C CG2 . THR B 2 217 ? 26.748 26.285 -49.578 1.00 43.78 ? 205 THR H CG2 1 ATOM 4361 N N . LYS B 2 218 ? 26.366 29.054 -51.294 1.00 40.53 ? 206 LYS H N 1 ATOM 4362 C CA . LYS B 2 218 ? 26.082 29.043 -52.724 1.00 43.31 ? 206 LYS H CA 1 ATOM 4363 C C . LYS B 2 218 ? 27.158 28.237 -53.442 1.00 44.89 ? 206 LYS H C 1 ATOM 4364 O O . LYS B 2 218 ? 28.333 28.601 -53.430 1.00 47.56 ? 206 LYS H O 1 ATOM 4365 C CB . LYS B 2 218 ? 26.004 30.467 -53.285 1.00 36.38 ? 206 LYS H CB 1 ATOM 4366 C CG . LYS B 2 218 ? 24.743 31.225 -52.877 1.00 38.82 ? 206 LYS H CG 1 ATOM 4367 C CD . LYS B 2 218 ? 24.713 32.637 -53.463 1.00 39.93 ? 206 LYS H CD 1 ATOM 4368 C CE . LYS B 2 218 ? 23.399 33.333 -53.138 1.00 45.84 ? 206 LYS H CE 1 ATOM 4369 N NZ . LYS B 2 218 ? 23.383 34.761 -53.573 1.00 53.85 ? 206 LYS H NZ 1 ATOM 4370 N N . VAL B 2 219 ? 26.749 27.133 -54.057 1.00 38.98 ? 207 VAL H N 1 ATOM 4371 C CA . VAL B 2 219 ? 27.686 26.231 -54.710 1.00 40.53 ? 207 VAL H CA 1 ATOM 4372 C C . VAL B 2 219 ? 27.385 26.088 -56.199 1.00 44.19 ? 207 VAL H C 1 ATOM 4373 O O . VAL B 2 219 ? 26.234 25.883 -56.589 1.00 43.67 ? 207 VAL H O 1 ATOM 4374 C CB . VAL B 2 219 ? 27.663 24.834 -54.050 1.00 44.47 ? 207 VAL H CB 1 ATOM 4375 C CG1 . VAL B 2 219 ? 28.436 23.825 -54.885 1.00 51.69 ? 207 VAL H CG1 1 ATOM 4376 C CG2 . VAL B 2 219 ? 28.226 24.907 -52.642 1.00 44.04 ? 207 VAL H CG2 1 ATOM 4377 N N . ASP B 2 220 ? 28.424 26.219 -57.021 1.00 44.00 ? 208 ASP H N 1 ATOM 4378 C CA . ASP B 2 220 ? 28.339 25.910 -58.446 1.00 42.65 ? 208 ASP H CA 1 ATOM 4379 C C . ASP B 2 220 ? 29.074 24.603 -58.732 1.00 48.62 ? 208 ASP H C 1 ATOM 4380 O O . ASP B 2 220 ? 30.191 24.397 -58.259 1.00 55.02 ? 208 ASP H O 1 ATOM 4381 C CB . ASP B 2 220 ? 28.933 27.040 -59.292 1.00 52.34 ? 208 ASP H CB 1 ATOM 4382 C CG . ASP B 2 220 ? 28.207 28.359 -59.103 1.00 51.99 ? 208 ASP H CG 1 ATOM 4383 O OD1 . ASP B 2 220 ? 26.959 28.356 -59.045 1.00 53.75 ? 208 ASP H OD1 1 ATOM 4384 O OD2 . ASP B 2 220 ? 28.887 29.401 -59.010 1.00 64.12 ? 208 ASP H OD2 1 ATOM 4385 N N . LYS B 2 221 ? 28.446 23.721 -59.503 1.00 46.80 ? 209 LYS H N 1 ATOM 4386 C CA . LYS B 2 221 ? 29.065 22.447 -59.856 1.00 45.35 ? 209 LYS H CA 1 ATOM 4387 C C . LYS B 2 221 ? 28.901 22.153 -61.343 1.00 46.27 ? 209 LYS H C 1 ATOM 4388 O O . LYS B 2 221 ? 27.781 22.081 -61.850 1.00 40.07 ? 209 LYS H O 1 ATOM 4389 C CB . LYS B 2 221 ? 28.463 21.307 -59.031 1.00 46.68 ? 209 LYS H CB 1 ATOM 4390 C CG . LYS B 2 221 ? 29.240 20.000 -59.113 1.00 57.61 ? 209 LYS H CG 1 ATOM 4391 C CD . LYS B 2 221 ? 30.576 20.117 -58.398 1.00 69.45 ? 209 LYS H CD 1 ATOM 4392 C CE . LYS B 2 221 ? 31.350 18.811 -58.446 1.00 79.78 ? 209 LYS H CE 1 ATOM 4393 N NZ . LYS B 2 221 ? 32.645 18.915 -57.719 1.00 85.60 ? 209 LYS H NZ 1 ATOM 4394 N N . LYS B 2 222 ? 30.020 21.988 -62.042 1.00 45.31 ? 210 LYS H N 1 ATOM 4395 C CA . LYS B 2 222 ? 29.975 21.638 -63.453 1.00 51.61 ? 210 LYS H CA 1 ATOM 4396 C C . LYS B 2 222 ? 29.717 20.145 -63.609 1.00 53.43 ? 210 LYS H C 1 ATOM 4397 O O . LYS B 2 222 ? 30.416 19.321 -63.020 1.00 54.32 ? 210 LYS H O 1 ATOM 4398 C CB . LYS B 2 222 ? 31.275 22.031 -64.159 1.00 56.60 ? 210 LYS H CB 1 ATOM 4399 C CG . LYS B 2 222 ? 31.293 21.698 -65.643 1.00 52.47 ? 210 LYS H CG 1 ATOM 4400 C CD . LYS B 2 222 ? 32.568 22.182 -66.316 1.00 59.20 ? 210 LYS H CD 1 ATOM 4401 C CE . LYS B 2 222 ? 32.564 21.855 -67.803 1.00 65.56 ? 210 LYS H CE 1 ATOM 4402 N NZ . LYS B 2 222 ? 33.793 22.341 -68.496 1.00 67.69 ? 210 LYS H NZ 1 ATOM 4403 N N . VAL B 2 223 ? 28.702 19.805 -64.395 1.00 49.91 ? 211 VAL H N 1 ATOM 4404 C CA . VAL B 2 223 ? 28.371 18.410 -64.653 1.00 51.13 ? 211 VAL H CA 1 ATOM 4405 C C . VAL B 2 223 ? 28.811 18.022 -66.060 1.00 54.94 ? 211 VAL H C 1 ATOM 4406 O O . VAL B 2 223 ? 28.215 18.449 -67.048 1.00 58.39 ? 211 VAL H O 1 ATOM 4407 C CB . VAL B 2 223 ? 26.863 18.147 -64.487 1.00 48.59 ? 211 VAL H CB 1 ATOM 4408 C CG1 . VAL B 2 223 ? 26.560 16.665 -64.649 1.00 51.40 ? 211 VAL H CG1 1 ATOM 4409 C CG2 . VAL B 2 223 ? 26.391 18.643 -63.132 1.00 45.98 ? 211 VAL H CG2 1 ATOM 4410 N N . GLU B 2 224 ? 29.868 17.221 -66.140 1.00 54.95 ? 212 GLU H N 1 ATOM 4411 C CA . GLU B 2 224 ? 30.423 16.803 -67.420 1.00 63.92 ? 212 GLU H CA 1 ATOM 4412 C C . GLU B 2 224 ? 30.494 15.280 -67.506 1.00 59.22 ? 212 GLU H C 1 ATOM 4413 O O . GLU B 2 224 ? 30.525 14.603 -66.479 1.00 55.72 ? 212 GLU H O 1 ATOM 4414 C CB . GLU B 2 224 ? 31.808 17.428 -67.627 1.00 72.84 ? 212 GLU H CB 1 ATOM 4415 C CG . GLU B 2 224 ? 32.780 17.217 -66.478 1.00 71.08 ? 212 GLU H CG 1 ATOM 4416 C CD . GLU B 2 224 ? 34.046 18.041 -66.632 1.00 82.66 ? 212 GLU H CD 1 ATOM 4417 O OE1 . GLU B 2 224 ? 34.205 18.702 -67.679 1.00 84.28 ? 212 GLU H OE1 1 ATOM 4418 O OE2 . GLU B 2 224 ? 34.882 18.031 -65.704 1.00 94.35 ? 212 GLU H OE2 1 ATOM 4419 N N . PRO B 2 225 ? 30.497 14.735 -68.735 1.00 63.92 ? 213 PRO H N 1 ATOM 4420 C CA . PRO B 2 225 ? 30.593 13.284 -68.937 1.00 66.99 ? 213 PRO H CA 1 ATOM 4421 C C . PRO B 2 225 ? 31.867 12.687 -68.349 1.00 73.77 ? 213 PRO H C 1 ATOM 4422 O O . PRO B 2 225 ? 32.936 13.285 -68.478 1.00 75.59 ? 213 PRO H O 1 ATOM 4423 C CB . PRO B 2 225 ? 30.586 13.143 -70.462 1.00 68.08 ? 213 PRO H CB 1 ATOM 4424 C CG . PRO B 2 225 ? 29.880 14.356 -70.946 1.00 62.50 ? 213 PRO H CG 1 ATOM 4425 C CD . PRO B 2 225 ? 30.277 15.450 -70.005 1.00 59.16 ? 213 PRO H CD 1 ATOM 4426 N N . LYS B 2 226 ? 31.748 11.527 -67.709 1.00 83.34 ? 214 LYS H N 1 ATOM 4427 C CA . LYS B 2 226 ? 32.910 10.826 -67.171 1.00 98.21 ? 214 LYS H CA 1 ATOM 4428 C C . LYS B 2 226 ? 33.835 10.375 -68.294 1.00 103.48 ? 214 LYS H C 1 ATOM 4429 O O . LYS B 2 226 ? 33.385 9.814 -69.293 1.00 98.29 ? 214 LYS H O 1 ATOM 4430 C CB . LYS B 2 226 ? 32.482 9.616 -66.333 1.00 100.84 ? 214 LYS H CB 1 ATOM 4431 C CG . LYS B 2 226 ? 31.918 9.953 -64.961 1.00 98.19 ? 214 LYS H CG 1 ATOM 4432 C CD . LYS B 2 226 ? 31.627 8.686 -64.164 1.00 95.77 ? 214 LYS H CD 1 ATOM 4433 C CE . LYS B 2 226 ? 31.124 9.005 -62.764 1.00 89.84 ? 214 LYS H CE 1 ATOM 4434 N NZ . LYS B 2 226 ? 30.856 7.770 -61.973 1.00 85.19 ? 214 LYS H NZ 1 ATOM 4435 N N . SER B 2 227 ? 35.129 10.625 -68.126 1.00 112.62 ? 215 SER H N 1 ATOM 4436 C CA . SER B 2 227 ? 36.119 10.221 -69.114 1.00 124.33 ? 215 SER H CA 1 ATOM 4437 C C . SER B 2 227 ? 36.645 8.822 -68.811 1.00 133.43 ? 215 SER H C 1 ATOM 4438 O O . SER B 2 227 ? 37.269 8.596 -67.773 1.00 133.06 ? 215 SER H O 1 ATOM 4439 C CB . SER B 2 227 ? 37.274 11.223 -69.159 1.00 125.69 ? 215 SER H CB 1 ATOM 4440 O OG . SER B 2 227 ? 37.880 11.360 -67.885 1.00 125.60 ? 215 SER H OG 1 ATOM 4441 N N . CYS B 2 228 ? 36.386 7.888 -69.720 1.00 140.72 ? 216 CYS H N 1 ATOM 4442 C CA . CYS B 2 228 ? 36.827 6.507 -69.552 1.00 147.52 ? 216 CYS H CA 1 ATOM 4443 C C . CYS B 2 228 ? 36.822 5.759 -70.881 1.00 154.45 ? 216 CYS H C 1 ATOM 4444 O O . CYS B 2 228 ? 37.582 4.811 -71.078 1.00 159.49 ? 216 CYS H O 1 ATOM 4445 C CB . CYS B 2 228 ? 35.942 5.781 -68.536 1.00 143.52 ? 216 CYS H CB 1 ATOM 4446 S SG . CYS B 2 228 ? 34.176 5.841 -68.912 1.00 162.92 ? 216 CYS H SG 1 ATOM 4447 O OXT . CYS B 2 228 ? 36.057 6.085 -71.790 1.00 153.95 ? 216 CYS H OXT 1 ATOM 4448 N N . GLU C 3 1 ? -6.532 -1.954 -29.019 1.00 87.29 ? 1 GLU L N 1 ATOM 4449 C CA . GLU C 3 1 ? -5.702 -1.507 -30.132 1.00 91.03 ? 1 GLU L CA 1 ATOM 4450 C C . GLU C 3 1 ? -6.383 -1.777 -31.470 1.00 85.53 ? 1 GLU L C 1 ATOM 4451 O O . GLU C 3 1 ? -6.449 -2.918 -31.926 1.00 90.05 ? 1 GLU L O 1 ATOM 4452 C CB . GLU C 3 1 ? -4.336 -2.193 -30.090 1.00 104.27 ? 1 GLU L CB 1 ATOM 4453 C CG . GLU C 3 1 ? -3.578 -1.989 -28.787 1.00 112.40 ? 1 GLU L CG 1 ATOM 4454 C CD . GLU C 3 1 ? -2.283 -2.777 -28.736 1.00 117.65 ? 1 GLU L CD 1 ATOM 4455 O OE1 . GLU C 3 1 ? -2.015 -3.547 -29.683 1.00 122.98 ? 1 GLU L OE1 1 ATOM 4456 O OE2 . GLU C 3 1 ? -1.532 -2.627 -27.749 1.00 114.28 ? 1 GLU L OE2 1 ATOM 4457 N N . ILE C 3 2 ? -6.888 -0.719 -32.094 1.00 75.64 ? 2 ILE L N 1 ATOM 4458 C CA . ILE C 3 2 ? -7.567 -0.844 -33.378 1.00 67.54 ? 2 ILE L CA 1 ATOM 4459 C C . ILE C 3 2 ? -6.634 -0.495 -34.530 1.00 70.00 ? 2 ILE L C 1 ATOM 4460 O O . ILE C 3 2 ? -6.061 0.593 -34.570 1.00 68.51 ? 2 ILE L O 1 ATOM 4461 C CB . ILE C 3 2 ? -8.814 0.061 -33.447 1.00 60.37 ? 2 ILE L CB 1 ATOM 4462 C CG1 . ILE C 3 2 ? -9.791 -0.286 -32.323 1.00 54.54 ? 2 ILE L CG1 1 ATOM 4463 C CG2 . ILE C 3 2 ? -9.490 -0.062 -34.804 1.00 50.11 ? 2 ILE L CG2 1 ATOM 4464 C CD1 . ILE C 3 2 ? -11.030 0.580 -32.306 1.00 52.37 ? 2 ILE L CD1 1 ATOM 4465 N N . VAL C 3 3 ? -6.487 -1.423 -35.468 1.00 70.44 ? 3 VAL L N 1 ATOM 4466 C CA . VAL C 3 3 ? -5.659 -1.194 -36.643 1.00 60.03 ? 3 VAL L CA 1 ATOM 4467 C C . VAL C 3 3 ? -6.505 -0.700 -37.814 1.00 57.22 ? 3 VAL L C 1 ATOM 4468 O O . VAL C 3 3 ? -7.374 -1.416 -38.311 1.00 52.62 ? 3 VAL L O 1 ATOM 4469 C CB . VAL C 3 3 ? -4.907 -2.469 -37.055 1.00 68.15 ? 3 VAL L CB 1 ATOM 4470 C CG1 . VAL C 3 3 ? -3.959 -2.177 -38.208 1.00 72.68 ? 3 VAL L CG1 1 ATOM 4471 C CG2 . VAL C 3 3 ? -4.147 -3.039 -35.866 1.00 67.30 ? 3 VAL L CG2 1 ATOM 4472 N N . LEU C 3 4 ? -6.256 0.535 -38.239 1.00 46.29 ? 4 LEU L N 1 ATOM 4473 C CA . LEU C 3 4 ? -6.945 1.109 -39.388 1.00 46.38 ? 4 LEU L CA 1 ATOM 4474 C C . LEU C 3 4 ? -6.013 1.194 -40.592 1.00 51.41 ? 4 LEU L C 1 ATOM 4475 O O . LEU C 3 4 ? -5.016 1.917 -40.567 1.00 49.17 ? 4 LEU L O 1 ATOM 4476 C CB . LEU C 3 4 ? -7.493 2.498 -39.051 1.00 42.12 ? 4 LEU L CB 1 ATOM 4477 C CG . LEU C 3 4 ? -8.597 2.558 -37.999 1.00 52.32 ? 4 LEU L CG 1 ATOM 4478 C CD1 . LEU C 3 4 ? -8.964 4.005 -37.698 1.00 40.15 ? 4 LEU L CD1 1 ATOM 4479 C CD2 . LEU C 3 4 ? -9.812 1.778 -38.469 1.00 48.17 ? 4 LEU L CD2 1 ATOM 4480 N N . THR C 3 5 ? -6.343 0.455 -41.646 1.00 41.98 ? 5 THR L N 1 ATOM 4481 C CA . THR C 3 5 ? -5.517 0.432 -42.844 1.00 38.54 ? 5 THR L CA 1 ATOM 4482 C C . THR C 3 5 ? -6.243 1.120 -43.988 1.00 43.96 ? 5 THR L C 1 ATOM 4483 O O . THR C 3 5 ? -7.214 0.595 -44.534 1.00 43.79 ? 5 THR L O 1 ATOM 4484 C CB . THR C 3 5 ? -5.147 -1.004 -43.250 1.00 46.51 ? 5 THR L CB 1 ATOM 4485 O OG1 . THR C 3 5 ? -4.415 -1.621 -42.186 1.00 52.03 ? 5 THR L OG1 1 ATOM 4486 C CG2 . THR C 3 5 ? -4.294 -1.000 -44.516 1.00 49.17 ? 5 THR L CG2 1 ATOM 4487 N N . GLN C 3 6 ? -5.765 2.306 -44.339 1.00 39.22 ? 6 GLN L N 1 ATOM 4488 C CA . GLN C 3 6 ? -6.416 3.129 -45.341 1.00 32.76 ? 6 GLN L CA 1 ATOM 4489 C C . GLN C 3 6 ? -5.708 2.999 -46.683 1.00 37.29 ? 6 GLN L C 1 ATOM 4490 O O . GLN C 3 6 ? -4.481 2.906 -46.737 1.00 40.38 ? 6 GLN L O 1 ATOM 4491 C CB . GLN C 3 6 ? -6.442 4.588 -44.878 1.00 41.02 ? 6 GLN L CB 1 ATOM 4492 C CG . GLN C 3 6 ? -7.318 5.504 -45.703 1.00 43.99 ? 6 GLN L CG 1 ATOM 4493 C CD . GLN C 3 6 ? -7.509 6.860 -45.047 1.00 43.98 ? 6 GLN L CD 1 ATOM 4494 O OE1 . GLN C 3 6 ? -7.305 7.014 -43.841 1.00 36.52 ? 6 GLN L OE1 1 ATOM 4495 N NE2 . GLN C 3 6 ? -7.897 7.851 -45.840 1.00 32.85 ? 6 GLN L NE2 1 ATOM 4496 N N . SER C 3 7 ? -6.487 2.983 -47.760 1.00 33.22 ? 7 SER L N 1 ATOM 4497 C CA . SER C 3 7 ? -5.944 2.851 -49.106 1.00 41.43 ? 7 SER L CA 1 ATOM 4498 C C . SER C 3 7 ? -6.857 3.527 -50.128 1.00 48.44 ? 7 SER L C 1 ATOM 4499 O O . SER C 3 7 ? -8.074 3.565 -49.943 1.00 46.47 ? 7 SER L O 1 ATOM 4500 C CB . SER C 3 7 ? -5.757 1.375 -49.462 1.00 46.46 ? 7 SER L CB 1 ATOM 4501 O OG . SER C 3 7 ? -7.001 0.698 -49.470 1.00 42.65 ? 7 SER L OG 1 ATOM 4502 N N . PRO C 3 8 ? -6.272 4.075 -51.207 1.00 48.07 ? 8 PRO L N 1 ATOM 4503 C CA . PRO C 3 8 ? -4.829 4.143 -51.457 1.00 40.61 ? 8 PRO L CA 1 ATOM 4504 C C . PRO C 3 8 ? -4.191 5.342 -50.764 1.00 40.24 ? 8 PRO L C 1 ATOM 4505 O O . PRO C 3 8 ? -4.890 6.125 -50.122 1.00 42.12 ? 8 PRO L O 1 ATOM 4506 C CB . PRO C 3 8 ? -4.755 4.290 -52.973 1.00 45.36 ? 8 PRO L CB 1 ATOM 4507 C CG . PRO C 3 8 ? -5.969 5.094 -53.298 1.00 41.06 ? 8 PRO L CG 1 ATOM 4508 C CD . PRO C 3 8 ? -7.042 4.628 -52.336 1.00 46.43 ? 8 PRO L CD 1 ATOM 4509 N N . GLY C 3 9 ? -2.877 5.483 -50.896 1.00 39.48 ? 9 GLY L N 1 ATOM 4510 C CA . GLY C 3 9 ? -2.186 6.621 -50.324 1.00 38.91 ? 9 GLY L CA 1 ATOM 4511 C C . GLY C 3 9 ? -2.500 7.907 -51.065 1.00 42.16 ? 9 GLY L C 1 ATOM 4512 O O . GLY C 3 9 ? -2.604 8.972 -50.453 1.00 33.97 ? 9 GLY L O 1 ATOM 4513 N N . THR C 3 10 ? -2.660 7.804 -52.383 1.00 35.78 ? 10 THR L N 1 ATOM 4514 C CA . THR C 3 10 ? -2.884 8.969 -53.239 1.00 39.17 ? 10 THR L CA 1 ATOM 4515 C C . THR C 3 10 ? -3.883 8.696 -54.363 1.00 47.40 ? 10 THR L C 1 ATOM 4516 O O . THR C 3 10 ? -3.780 7.689 -55.064 1.00 44.74 ? 10 THR L O 1 ATOM 4517 C CB . THR C 3 10 ? -1.565 9.452 -53.878 1.00 43.83 ? 10 THR L CB 1 ATOM 4518 O OG1 . THR C 3 10 ? -0.601 9.720 -52.854 1.00 45.52 ? 10 THR L OG1 1 ATOM 4519 C CG2 . THR C 3 10 ? -1.792 10.715 -54.709 1.00 42.01 ? 10 THR L CG2 1 ATOM 4520 N N . LEU C 3 11 ? -4.847 9.599 -54.530 1.00 39.99 ? 11 LEU L N 1 ATOM 4521 C CA . LEU C 3 11 ? -5.739 9.570 -55.686 1.00 37.88 ? 11 LEU L CA 1 ATOM 4522 C C . LEU C 3 11 ? -5.513 10.807 -56.546 1.00 43.09 ? 11 LEU L C 1 ATOM 4523 O O . LEU C 3 11 ? -5.564 11.932 -56.049 1.00 36.74 ? 11 LEU L O 1 ATOM 4524 C CB . LEU C 3 11 ? -7.204 9.491 -55.254 1.00 36.18 ? 11 LEU L CB 1 ATOM 4525 C CG . LEU C 3 11 ? -7.704 8.131 -54.761 1.00 41.52 ? 11 LEU L CG 1 ATOM 4526 C CD1 . LEU C 3 11 ? -9.094 8.264 -54.161 1.00 36.56 ? 11 LEU L CD1 1 ATOM 4527 C CD2 . LEU C 3 11 ? -7.705 7.119 -55.900 1.00 41.31 ? 11 LEU L CD2 1 ATOM 4528 N N . SER C 3 12 ? -5.254 10.589 -57.832 1.00 43.68 ? 12 SER L N 1 ATOM 4529 C CA . SER C 3 12 ? -5.047 11.679 -58.779 1.00 42.88 ? 12 SER L CA 1 ATOM 4530 C C . SER C 3 12 ? -6.189 11.707 -59.784 1.00 45.71 ? 12 SER L C 1 ATOM 4531 O O . SER C 3 12 ? -6.196 10.947 -60.750 1.00 42.05 ? 12 SER L O 1 ATOM 4532 C CB . SER C 3 12 ? -3.706 11.524 -59.497 1.00 36.04 ? 12 SER L CB 1 ATOM 4533 O OG . SER C 3 12 ? -2.631 11.523 -58.575 1.00 43.56 ? 12 SER L OG 1 ATOM 4534 N N . LEU C 3 13 ? -7.158 12.584 -59.551 1.00 36.94 ? 13 LEU L N 1 ATOM 4535 C CA . LEU C 3 13 ? -8.393 12.568 -60.322 1.00 36.66 ? 13 LEU L CA 1 ATOM 4536 C C . LEU C 3 13 ? -8.733 13.940 -60.896 1.00 42.76 ? 13 LEU L C 1 ATOM 4537 O O . LEU C 3 13 ? -8.226 14.961 -60.434 1.00 42.16 ? 13 LEU L O 1 ATOM 4538 C CB . LEU C 3 13 ? -9.543 12.066 -59.447 1.00 44.45 ? 13 LEU L CB 1 ATOM 4539 C CG . LEU C 3 13 ? -9.318 10.702 -58.784 1.00 47.11 ? 13 LEU L CG 1 ATOM 4540 C CD1 . LEU C 3 13 ? -10.366 10.435 -57.720 1.00 42.49 ? 13 LEU L CD1 1 ATOM 4541 C CD2 . LEU C 3 13 ? -9.318 9.594 -59.829 1.00 45.83 ? 13 LEU L CD2 1 ATOM 4542 N N . SER C 3 14 ? -9.594 13.955 -61.908 1.00 38.47 ? 14 SER L N 1 ATOM 4543 C CA . SER C 3 14 ? -10.055 15.203 -62.505 1.00 41.26 ? 14 SER L CA 1 ATOM 4544 C C . SER C 3 14 ? -11.411 15.581 -61.923 1.00 43.53 ? 14 SER L C 1 ATOM 4545 O O . SER C 3 14 ? -12.138 14.712 -61.441 1.00 40.51 ? 14 SER L O 1 ATOM 4546 C CB . SER C 3 14 ? -10.147 15.072 -64.029 1.00 39.02 ? 14 SER L CB 1 ATOM 4547 O OG . SER C 3 14 ? -8.910 14.663 -64.584 1.00 48.29 ? 14 SER L OG 1 ATOM 4548 N N . PRO C 3 15 ? -11.750 16.880 -61.953 1.00 46.40 ? 15 PRO L N 1 ATOM 4549 C CA . PRO C 3 15 ? -13.094 17.314 -61.557 1.00 50.05 ? 15 PRO L CA 1 ATOM 4550 C C . PRO C 3 15 ? -14.172 16.535 -62.301 1.00 46.23 ? 15 PRO L C 1 ATOM 4551 O O . PRO C 3 15 ? -14.006 16.249 -63.486 1.00 47.44 ? 15 PRO L O 1 ATOM 4552 C CB . PRO C 3 15 ? -13.115 18.793 -61.954 1.00 52.71 ? 15 PRO L CB 1 ATOM 4553 C CG . PRO C 3 15 ? -11.693 19.215 -61.883 1.00 57.77 ? 15 PRO L CG 1 ATOM 4554 C CD . PRO C 3 15 ? -10.885 18.020 -62.308 1.00 57.39 ? 15 PRO L CD 1 ATOM 4555 N N . GLY C 3 16 ? -15.252 16.182 -61.614 1.00 44.24 ? 16 GLY L N 1 ATOM 4556 C CA . GLY C 3 16 ? -16.336 15.446 -62.239 1.00 45.79 ? 16 GLY L CA 1 ATOM 4557 C C . GLY C 3 16 ? -16.220 13.941 -62.084 1.00 44.17 ? 16 GLY L C 1 ATOM 4558 O O . GLY C 3 16 ? -17.203 13.219 -62.251 1.00 49.37 ? 16 GLY L O 1 ATOM 4559 N N . GLU C 3 17 ? -15.020 13.462 -61.769 1.00 36.21 ? 17 GLU L N 1 ATOM 4560 C CA . GLU C 3 17 ? -14.809 12.033 -61.548 1.00 42.84 ? 17 GLU L CA 1 ATOM 4561 C C . GLU C 3 17 ? -15.194 11.646 -60.120 1.00 44.73 ? 17 GLU L C 1 ATOM 4562 O O . GLU C 3 17 ? -15.606 12.496 -59.330 1.00 39.96 ? 17 GLU L O 1 ATOM 4563 C CB . GLU C 3 17 ? -13.353 11.649 -61.838 1.00 38.12 ? 17 GLU L CB 1 ATOM 4564 C CG . GLU C 3 17 ? -12.962 11.807 -63.309 1.00 40.27 ? 17 GLU L CG 1 ATOM 4565 C CD . GLU C 3 17 ? -11.600 11.212 -63.633 1.00 46.51 ? 17 GLU L CD 1 ATOM 4566 O OE1 . GLU C 3 17 ? -10.647 11.418 -62.852 1.00 40.47 ? 17 GLU L OE1 1 ATOM 4567 O OE2 . GLU C 3 17 ? -11.484 10.533 -64.675 1.00 55.32 ? 17 GLU L OE2 1 ATOM 4568 N N . THR C 3 18 ? -15.068 10.364 -59.794 1.00 48.22 ? 18 THR L N 1 ATOM 4569 C CA . THR C 3 18 ? -15.444 9.881 -58.469 1.00 41.67 ? 18 THR L CA 1 ATOM 4570 C C . THR C 3 18 ? -14.238 9.378 -57.686 1.00 39.83 ? 18 THR L C 1 ATOM 4571 O O . THR C 3 18 ? -13.404 8.648 -58.217 1.00 40.77 ? 18 THR L O 1 ATOM 4572 C CB . THR C 3 18 ? -16.480 8.747 -58.549 1.00 46.73 ? 18 THR L CB 1 ATOM 4573 O OG1 . THR C 3 18 ? -15.891 7.610 -59.189 1.00 70.92 ? 18 THR L OG1 1 ATOM 4574 C CG2 . THR C 3 18 ? -17.707 9.190 -59.331 1.00 32.49 ? 18 THR L CG2 1 ATOM 4575 N N . ALA C 3 19 ? -14.152 9.774 -56.420 1.00 34.51 ? 19 ALA L N 1 ATOM 4576 C CA . ALA C 3 19 ? -13.097 9.285 -55.538 1.00 37.34 ? 19 ALA L CA 1 ATOM 4577 C C . ALA C 3 19 ? -13.619 8.147 -54.670 1.00 35.80 ? 19 ALA L C 1 ATOM 4578 O O . ALA C 3 19 ? -14.706 8.234 -54.104 1.00 38.43 ? 19 ALA L O 1 ATOM 4579 C CB . ALA C 3 19 ? -12.556 10.409 -54.672 1.00 37.90 ? 19 ALA L CB 1 ATOM 4580 N N . ILE C 3 20 ? -12.836 7.079 -54.576 1.00 30.57 ? 20 ILE L N 1 ATOM 4581 C CA . ILE C 3 20 ? -13.222 5.907 -53.805 1.00 38.00 ? 20 ILE L CA 1 ATOM 4582 C C . ILE C 3 20 ? -12.127 5.590 -52.797 1.00 36.55 ? 20 ILE L C 1 ATOM 4583 O O . ILE C 3 20 ? -11.052 5.111 -53.154 1.00 37.24 ? 20 ILE L O 1 ATOM 4584 C CB . ILE C 3 20 ? -13.484 4.692 -54.718 1.00 42.73 ? 20 ILE L CB 1 ATOM 4585 C CG1 . ILE C 3 20 ? -14.641 4.996 -55.673 1.00 41.55 ? 20 ILE L CG1 1 ATOM 4586 C CG2 . ILE C 3 20 ? -13.791 3.453 -53.892 1.00 40.41 ? 20 ILE L CG2 1 ATOM 4587 C CD1 . ILE C 3 20 ? -14.937 3.883 -56.666 1.00 42.67 ? 20 ILE L CD1 1 ATOM 4588 N N . ILE C 3 21 ? -12.408 5.885 -51.533 1.00 33.17 ? 21 ILE L N 1 ATOM 4589 C CA . ILE C 3 21 ? -11.426 5.751 -50.468 1.00 31.29 ? 21 ILE L CA 1 ATOM 4590 C C . ILE C 3 21 ? -11.879 4.676 -49.491 1.00 36.39 ? 21 ILE L C 1 ATOM 4591 O O . ILE C 3 21 ? -13.032 4.668 -49.062 1.00 38.96 ? 21 ILE L O 1 ATOM 4592 C CB . ILE C 3 21 ? -11.228 7.091 -49.729 1.00 33.52 ? 21 ILE L CB 1 ATOM 4593 C CG1 . ILE C 3 21 ? -10.902 8.201 -50.735 1.00 43.82 ? 21 ILE L CG1 1 ATOM 4594 C CG2 . ILE C 3 21 ? -10.145 6.973 -48.670 1.00 34.09 ? 21 ILE L CG2 1 ATOM 4595 C CD1 . ILE C 3 21 ? -10.769 9.577 -50.115 1.00 43.48 ? 21 ILE L CD1 1 ATOM 4596 N N . SER C 3 22 ? -10.980 3.765 -49.141 1.00 31.30 ? 22 SER L N 1 ATOM 4597 C CA . SER C 3 22 ? -11.369 2.636 -48.310 1.00 31.82 ? 22 SER L CA 1 ATOM 4598 C C . SER C 3 22 ? -10.539 2.539 -47.038 1.00 33.93 ? 22 SER L C 1 ATOM 4599 O O . SER C 3 22 ? -9.377 2.950 -46.999 1.00 36.37 ? 22 SER L O 1 ATOM 4600 C CB . SER C 3 22 ? -11.261 1.333 -49.103 1.00 35.78 ? 22 SER L CB 1 ATOM 4601 O OG . SER C 3 22 ? -9.907 0.948 -49.258 1.00 61.10 ? 22 SER L OG 1 ATOM 4602 N N . CYS C 3 23 ? -11.153 1.985 -45.999 1.00 39.87 ? 23 CYS L N 1 ATOM 4603 C CA . CYS C 3 23 ? -10.500 1.806 -44.712 1.00 32.47 ? 23 CYS L CA 1 ATOM 4604 C C . CYS C 3 23 ? -10.831 0.423 -44.160 1.00 35.11 ? 23 CYS L C 1 ATOM 4605 O O . CYS C 3 23 ? -11.999 0.088 -43.968 1.00 42.08 ? 23 CYS L O 1 ATOM 4606 C CB . CYS C 3 23 ? -10.942 2.902 -43.732 1.00 40.81 ? 23 CYS L CB 1 ATOM 4607 S SG . CYS C 3 23 ? -9.925 3.078 -42.243 1.00 63.58 ? 23 CYS L SG 1 ATOM 4608 N N . ARG C 3 24 ? -9.804 -0.387 -43.926 1.00 33.04 ? 24 ARG L N 1 ATOM 4609 C CA . ARG C 3 24 ? -10.000 -1.705 -43.335 1.00 33.54 ? 24 ARG L CA 1 ATOM 4610 C C . ARG C 3 24 ? -9.707 -1.677 -41.842 1.00 40.94 ? 24 ARG L C 1 ATOM 4611 O O . ARG C 3 24 ? -8.633 -1.249 -41.421 1.00 50.24 ? 24 ARG L O 1 ATOM 4612 C CB . ARG C 3 24 ? -9.117 -2.752 -44.016 1.00 34.12 ? 24 ARG L CB 1 ATOM 4613 C CG . ARG C 3 24 ? -8.972 -4.037 -43.205 1.00 46.29 ? 24 ARG L CG 1 ATOM 4614 C CD . ARG C 3 24 ? -8.579 -5.211 -44.084 1.00 60.12 ? 24 ARG L CD 1 ATOM 4615 N NE . ARG C 3 24 ? -9.672 -5.619 -44.961 1.00 74.50 ? 24 ARG L NE 1 ATOM 4616 C CZ . ARG C 3 24 ? -9.571 -6.560 -45.895 1.00 86.25 ? 24 ARG L CZ 1 ATOM 4617 N NH1 . ARG C 3 24 ? -8.420 -7.191 -46.081 1.00 88.64 ? 24 ARG L NH1 1 ATOM 4618 N NH2 . ARG C 3 24 ? -10.620 -6.868 -46.646 1.00 86.95 ? 24 ARG L NH2 1 ATOM 4619 N N . THR C 3 25 ? -10.664 -2.146 -41.048 1.00 42.53 ? 25 THR L N 1 ATOM 4620 C CA . THR C 3 25 ? -10.535 -2.125 -39.597 1.00 44.00 ? 25 THR L CA 1 ATOM 4621 C C . THR C 3 25 ? -10.335 -3.520 -39.026 1.00 49.90 ? 25 THR L C 1 ATOM 4622 O O . THR C 3 25 ? -10.785 -4.510 -39.602 1.00 57.59 ? 25 THR L O 1 ATOM 4623 C CB . THR C 3 25 ? -11.768 -1.493 -38.931 1.00 49.24 ? 25 THR L CB 1 ATOM 4624 O OG1 . THR C 3 25 ? -11.590 -1.487 -37.508 1.00 51.76 ? 25 THR L OG1 1 ATOM 4625 C CG2 . THR C 3 25 ? -13.023 -2.285 -39.279 1.00 52.34 ? 25 THR L CG2 1 ATOM 4626 N N . SER C 3 26 ? -9.650 -3.588 -37.889 1.00 56.08 ? 26 SER L N 1 ATOM 4627 C CA . SER C 3 26 ? -9.441 -4.847 -37.188 1.00 65.17 ? 26 SER L CA 1 ATOM 4628 C C . SER C 3 26 ? -10.533 -5.050 -36.146 1.00 61.93 ? 26 SER L C 1 ATOM 4629 O O . SER C 3 26 ? -10.605 -6.093 -35.498 1.00 62.99 ? 26 SER L O 1 ATOM 4630 C CB . SER C 3 26 ? -8.062 -4.874 -36.526 1.00 68.51 ? 26 SER L CB 1 ATOM 4631 O OG . SER C 3 26 ? -7.931 -3.828 -35.578 1.00 62.07 ? 26 SER L OG 1 ATOM 4632 N N . GLN C 3 27 ? -11.382 -4.040 -35.994 1.00 49.17 ? 27 GLN L N 1 ATOM 4633 C CA . GLN C 3 27 ? -12.444 -4.076 -34.997 1.00 63.18 ? 27 GLN L CA 1 ATOM 4634 C C . GLN C 3 27 ? -13.654 -3.266 -35.449 1.00 62.24 ? 27 GLN L C 1 ATOM 4635 O O . GLN C 3 27 ? -13.521 -2.121 -35.877 1.00 56.54 ? 27 GLN L O 1 ATOM 4636 C CB . GLN C 3 27 ? -11.930 -3.548 -33.656 1.00 60.02 ? 27 GLN L CB 1 ATOM 4637 C CG . GLN C 3 27 ? -12.990 -3.465 -32.574 1.00 65.72 ? 27 GLN L CG 1 ATOM 4638 C CD . GLN C 3 27 ? -12.451 -2.891 -31.276 1.00 77.65 ? 27 GLN L CD 1 ATOM 4639 O OE1 . GLN C 3 27 ? -12.867 -1.817 -30.839 1.00 84.52 ? 27 GLN L OE1 1 ATOM 4640 N NE2 . GLN C 3 27 ? -11.520 -3.606 -30.653 1.00 69.55 ? 27 GLN L NE2 1 ATOM 4641 N N . TYR C 3 28 ? -14.835 -3.869 -35.359 1.00 66.25 ? 28 TYR L N 1 ATOM 4642 C CA . TYR C 3 28 ? -16.068 -3.182 -35.723 1.00 72.35 ? 28 TYR L CA 1 ATOM 4643 C C . TYR C 3 28 ? -16.426 -2.120 -34.684 1.00 70.64 ? 28 TYR L C 1 ATOM 4644 O O . TYR C 3 28 ? -16.092 -2.252 -33.507 1.00 68.07 ? 28 TYR L O 1 ATOM 4645 C CB . TYR C 3 28 ? -17.216 -4.183 -35.883 1.00 76.61 ? 28 TYR L CB 1 ATOM 4646 C CG . TYR C 3 28 ? -17.116 -5.042 -37.126 1.00 75.76 ? 28 TYR L CG 1 ATOM 4647 C CD1 . TYR C 3 28 ? -17.651 -4.612 -38.335 1.00 72.23 ? 28 TYR L CD1 1 ATOM 4648 C CD2 . TYR C 3 28 ? -16.488 -6.281 -37.093 1.00 71.80 ? 28 TYR L CD2 1 ATOM 4649 C CE1 . TYR C 3 28 ? -17.564 -5.389 -39.473 1.00 68.59 ? 28 TYR L CE1 1 ATOM 4650 C CE2 . TYR C 3 28 ? -16.396 -7.068 -38.228 1.00 76.94 ? 28 TYR L CE2 1 ATOM 4651 C CZ . TYR C 3 28 ? -16.936 -6.617 -39.415 1.00 71.10 ? 28 TYR L CZ 1 ATOM 4652 O OH . TYR C 3 28 ? -16.849 -7.393 -40.547 1.00 63.26 ? 28 TYR L OH 1 ATOM 4653 N N . GLY C 3 29 ? -17.102 -1.067 -35.132 1.00 68.72 ? 29 GLY L N 1 ATOM 4654 C CA . GLY C 3 29 ? -17.448 0.052 -34.274 1.00 53.80 ? 29 GLY L CA 1 ATOM 4655 C C . GLY C 3 29 ? -17.749 1.281 -35.110 1.00 52.21 ? 29 GLY L C 1 ATOM 4656 O O . GLY C 3 29 ? -17.682 1.232 -36.337 1.00 55.06 ? 29 GLY L O 1 ATOM 4657 N N . SER C 3 30 ? -18.079 2.387 -34.452 1.00 43.77 ? 30 SER L N 1 ATOM 4658 C CA . SER C 3 30 ? -18.421 3.613 -35.162 1.00 41.56 ? 30 SER L CA 1 ATOM 4659 C C . SER C 3 30 ? -17.206 4.198 -35.877 1.00 38.76 ? 30 SER L C 1 ATOM 4660 O O . SER C 3 30 ? -16.227 4.591 -35.241 1.00 37.98 ? 30 SER L O 1 ATOM 4661 C CB . SER C 3 30 ? -19.014 4.644 -34.199 1.00 43.41 ? 30 SER L CB 1 ATOM 4662 O OG . SER C 3 30 ? -19.580 5.734 -34.903 1.00 49.23 ? 30 SER L OG 1 ATOM 4663 N N . LEU C 3 31 ? -17.276 4.250 -37.204 1.00 37.29 ? 33 LEU L N 1 ATOM 4664 C CA . LEU C 3 31 ? -16.184 4.794 -38.001 1.00 34.06 ? 33 LEU L CA 1 ATOM 4665 C C . LEU C 3 31 ? -16.567 6.147 -38.587 1.00 32.66 ? 33 LEU L C 1 ATOM 4666 O O . LEU C 3 31 ? -17.670 6.324 -39.106 1.00 34.85 ? 33 LEU L O 1 ATOM 4667 C CB . LEU C 3 31 ? -15.786 3.821 -39.119 1.00 39.76 ? 33 LEU L CB 1 ATOM 4668 C CG . LEU C 3 31 ? -14.580 4.203 -39.989 1.00 37.62 ? 33 LEU L CG 1 ATOM 4669 C CD1 . LEU C 3 31 ? -13.773 2.960 -40.347 1.00 33.82 ? 33 LEU L CD1 1 ATOM 4670 C CD2 . LEU C 3 31 ? -15.018 4.936 -41.256 1.00 28.44 ? 33 LEU L CD2 1 ATOM 4671 N N . ALA C 3 32 ? -15.641 7.097 -38.503 1.00 32.43 ? 34 ALA L N 1 ATOM 4672 C CA . ALA C 3 32 ? -15.861 8.435 -39.036 1.00 34.94 ? 34 ALA L CA 1 ATOM 4673 C C . ALA C 3 32 ? -14.873 8.750 -40.156 1.00 29.96 ? 34 ALA L C 1 ATOM 4674 O O . ALA C 3 32 ? -13.785 8.175 -40.213 1.00 30.00 ? 34 ALA L O 1 ATOM 4675 C CB . ALA C 3 32 ? -15.752 9.477 -37.922 1.00 30.39 ? 34 ALA L CB 1 ATOM 4676 N N . TRP C 3 33 ? -15.265 9.665 -41.039 1.00 29.58 ? 35 TRP L N 1 ATOM 4677 C CA . TRP C 3 33 ? -14.404 10.147 -42.120 1.00 29.04 ? 35 TRP L CA 1 ATOM 4678 C C . TRP C 3 33 ? -14.186 11.650 -41.995 1.00 29.85 ? 35 TRP L C 1 ATOM 4679 O O . TRP C 3 33 ? -15.138 12.401 -41.784 1.00 32.31 ? 35 TRP L O 1 ATOM 4680 C CB . TRP C 3 33 ? -15.015 9.842 -43.491 1.00 32.57 ? 35 TRP L CB 1 ATOM 4681 C CG . TRP C 3 33 ? -14.996 8.400 -43.897 1.00 31.28 ? 35 TRP L CG 1 ATOM 4682 C CD1 . TRP C 3 33 ? -16.033 7.518 -43.833 1.00 27.14 ? 35 TRP L CD1 1 ATOM 4683 C CD2 . TRP C 3 33 ? -13.890 7.682 -44.458 1.00 22.15 ? 35 TRP L CD2 1 ATOM 4684 N NE1 . TRP C 3 33 ? -15.640 6.291 -44.311 1.00 32.13 ? 35 TRP L NE1 1 ATOM 4685 C CE2 . TRP C 3 33 ? -14.328 6.366 -44.701 1.00 31.89 ? 35 TRP L CE2 1 ATOM 4686 C CE3 . TRP C 3 33 ? -12.571 8.025 -44.775 1.00 31.47 ? 35 TRP L CE3 1 ATOM 4687 C CZ2 . TRP C 3 33 ? -13.494 5.390 -45.245 1.00 30.88 ? 35 TRP L CZ2 1 ATOM 4688 C CZ3 . TRP C 3 33 ? -11.745 7.055 -45.313 1.00 33.13 ? 35 TRP L CZ3 1 ATOM 4689 C CH2 . TRP C 3 33 ? -12.209 5.753 -45.543 1.00 31.58 ? 35 TRP L CH2 1 ATOM 4690 N N . TYR C 3 34 ? -12.942 12.091 -42.149 1.00 29.01 ? 36 TYR L N 1 ATOM 4691 C CA . TYR C 3 34 ? -12.628 13.514 -42.081 1.00 25.85 ? 36 TYR L CA 1 ATOM 4692 C C . TYR C 3 34 ? -11.980 14.027 -43.361 1.00 36.81 ? 36 TYR L C 1 ATOM 4693 O O . TYR C 3 34 ? -11.260 13.295 -44.036 1.00 27.50 ? 36 TYR L O 1 ATOM 4694 C CB . TYR C 3 34 ? -11.703 13.803 -40.896 1.00 33.83 ? 36 TYR L CB 1 ATOM 4695 C CG . TYR C 3 34 ? -12.303 13.453 -39.555 1.00 31.40 ? 36 TYR L CG 1 ATOM 4696 C CD1 . TYR C 3 34 ? -12.209 12.162 -39.048 1.00 27.89 ? 36 TYR L CD1 1 ATOM 4697 C CD2 . TYR C 3 34 ? -12.961 14.411 -38.796 1.00 31.26 ? 36 TYR L CD2 1 ATOM 4698 C CE1 . TYR C 3 34 ? -12.757 11.836 -37.823 1.00 30.12 ? 36 TYR L CE1 1 ATOM 4699 C CE2 . TYR C 3 34 ? -13.513 14.093 -37.565 1.00 30.02 ? 36 TYR L CE2 1 ATOM 4700 C CZ . TYR C 3 34 ? -13.408 12.803 -37.086 1.00 29.38 ? 36 TYR L CZ 1 ATOM 4701 O OH . TYR C 3 34 ? -13.954 12.479 -35.861 1.00 40.30 ? 36 TYR L OH 1 ATOM 4702 N N . GLN C 3 35 ? -12.236 15.293 -43.675 1.00 31.47 ? 37 GLN L N 1 ATOM 4703 C CA . GLN C 3 35 ? -11.607 15.967 -44.807 1.00 30.45 ? 37 GLN L CA 1 ATOM 4704 C C . GLN C 3 35 ? -10.732 17.113 -44.322 1.00 35.44 ? 37 GLN L C 1 ATOM 4705 O O . GLN C 3 35 ? -11.165 17.934 -43.510 1.00 37.37 ? 37 GLN L O 1 ATOM 4706 C CB . GLN C 3 35 ? -12.660 16.507 -45.778 1.00 28.05 ? 37 GLN L CB 1 ATOM 4707 C CG . GLN C 3 35 ? -12.086 17.401 -46.873 1.00 35.79 ? 37 GLN L CG 1 ATOM 4708 C CD . GLN C 3 35 ? -13.152 18.197 -47.604 1.00 43.46 ? 37 GLN L CD 1 ATOM 4709 O OE1 . GLN C 3 35 ? -13.718 19.147 -47.061 1.00 46.99 ? 37 GLN L OE1 1 ATOM 4710 N NE2 . GLN C 3 35 ? -13.430 17.813 -48.842 1.00 49.43 ? 37 GLN L NE2 1 ATOM 4711 N N . GLN C 3 36 ? -9.502 17.174 -44.816 1.00 33.17 ? 38 GLN L N 1 ATOM 4712 C CA . GLN C 3 36 ? -8.646 18.314 -44.521 1.00 36.56 ? 38 GLN L CA 1 ATOM 4713 C C . GLN C 3 36 ? -8.221 19.019 -45.804 1.00 40.33 ? 38 GLN L C 1 ATOM 4714 O O . GLN C 3 36 ? -7.457 18.473 -46.602 1.00 35.62 ? 38 GLN L O 1 ATOM 4715 C CB . GLN C 3 36 ? -7.413 17.887 -43.726 1.00 36.24 ? 38 GLN L CB 1 ATOM 4716 C CG . GLN C 3 36 ? -6.526 19.060 -43.331 1.00 46.70 ? 38 GLN L CG 1 ATOM 4717 C CD . GLN C 3 36 ? -5.282 18.645 -42.569 1.00 48.00 ? 38 GLN L CD 1 ATOM 4718 O OE1 . GLN C 3 36 ? -4.712 17.581 -42.813 1.00 57.47 ? 38 GLN L OE1 1 ATOM 4719 N NE2 . GLN C 3 36 ? -4.851 19.492 -41.641 1.00 55.06 ? 38 GLN L NE2 1 ATOM 4720 N N . ARG C 3 37 ? -8.737 20.227 -46.004 1.00 39.46 ? 39 ARG L N 1 ATOM 4721 C CA . ARG C 3 37 ? -8.299 21.076 -47.106 1.00 46.40 ? 39 ARG L CA 1 ATOM 4722 C C . ARG C 3 37 ? -6.964 21.719 -46.742 1.00 49.96 ? 39 ARG L C 1 ATOM 4723 O O . ARG C 3 37 ? -6.650 21.867 -45.561 1.00 49.60 ? 39 ARG L O 1 ATOM 4724 C CB . ARG C 3 37 ? -9.343 22.149 -47.419 1.00 51.61 ? 39 ARG L CB 1 ATOM 4725 C CG . ARG C 3 37 ? -10.620 21.637 -48.066 1.00 52.07 ? 39 ARG L CG 1 ATOM 4726 C CD . ARG C 3 37 ? -11.437 22.810 -48.587 1.00 82.19 ? 39 ARG L CD 1 ATOM 4727 N NE . ARG C 3 37 ? -12.720 22.408 -49.154 1.00 91.21 ? 39 ARG L NE 1 ATOM 4728 C CZ . ARG C 3 37 ? -13.869 22.428 -48.487 1.00 97.47 ? 39 ARG L CZ 1 ATOM 4729 N NH1 . ARG C 3 37 ? -13.896 22.827 -47.222 1.00 99.51 ? 39 ARG L NH1 1 ATOM 4730 N NH2 . ARG C 3 37 ? -14.991 22.048 -49.084 1.00 98.19 ? 39 ARG L NH2 1 ATOM 4731 N N . PRO C 3 38 ? -6.165 22.090 -47.755 1.00 52.59 ? 40 PRO L N 1 ATOM 4732 C CA . PRO C 3 38 ? -4.863 22.715 -47.496 1.00 58.52 ? 40 PRO L CA 1 ATOM 4733 C C . PRO C 3 38 ? -4.964 23.968 -46.631 1.00 60.93 ? 40 PRO L C 1 ATOM 4734 O O . PRO C 3 38 ? -5.740 24.870 -46.946 1.00 57.44 ? 40 PRO L O 1 ATOM 4735 C CB . PRO C 3 38 ? -4.360 23.068 -48.897 1.00 56.00 ? 40 PRO L CB 1 ATOM 4736 C CG . PRO C 3 38 ? -5.027 22.080 -49.789 1.00 60.46 ? 40 PRO L CG 1 ATOM 4737 C CD . PRO C 3 38 ? -6.384 21.846 -49.192 1.00 54.73 ? 40 PRO L CD 1 ATOM 4738 N N . GLY C 3 39 ? -4.192 24.008 -45.549 1.00 60.23 ? 41 GLY L N 1 ATOM 4739 C CA . GLY C 3 39 ? -4.149 25.165 -44.673 1.00 62.82 ? 41 GLY L CA 1 ATOM 4740 C C . GLY C 3 39 ? -5.401 25.354 -43.838 1.00 65.91 ? 41 GLY L C 1 ATOM 4741 O O . GLY C 3 39 ? -5.689 26.460 -43.382 1.00 79.00 ? 41 GLY L O 1 ATOM 4742 N N . GLN C 3 40 ? -6.150 24.276 -43.635 1.00 55.68 ? 42 GLN L N 1 ATOM 4743 C CA . GLN C 3 40 ? -7.388 24.348 -42.869 1.00 52.72 ? 42 GLN L CA 1 ATOM 4744 C C . GLN C 3 40 ? -7.504 23.203 -41.870 1.00 52.97 ? 42 GLN L C 1 ATOM 4745 O O . GLN C 3 40 ? -6.869 22.158 -42.026 1.00 50.11 ? 42 GLN L O 1 ATOM 4746 C CB . GLN C 3 40 ? -8.600 24.344 -43.807 1.00 52.96 ? 42 GLN L CB 1 ATOM 4747 C CG . GLN C 3 40 ? -8.694 25.565 -44.718 1.00 64.61 ? 42 GLN L CG 1 ATOM 4748 C CD . GLN C 3 40 ? -9.966 25.583 -45.546 1.00 74.98 ? 42 GLN L CD 1 ATOM 4749 O OE1 . GLN C 3 40 ? -11.049 25.279 -45.046 1.00 77.37 ? 42 GLN L OE1 1 ATOM 4750 N NE2 . GLN C 3 40 ? -9.840 25.934 -46.821 1.00 85.20 ? 42 GLN L NE2 1 ATOM 4751 N N . ALA C 3 41 ? -8.318 23.409 -40.840 1.00 49.85 ? 43 ALA L N 1 ATOM 4752 C CA . ALA C 3 41 ? -8.596 22.365 -39.866 1.00 43.97 ? 43 ALA L CA 1 ATOM 4753 C C . ALA C 3 41 ? -9.377 21.232 -40.520 1.00 46.22 ? 43 ALA L C 1 ATOM 4754 O O . ALA C 3 41 ? -10.153 21.464 -41.445 1.00 41.03 ? 43 ALA L O 1 ATOM 4755 C CB . ALA C 3 41 ? -9.370 22.934 -38.682 1.00 45.34 ? 43 ALA L CB 1 ATOM 4756 N N . PRO C 3 42 ? -9.164 19.995 -40.050 1.00 38.45 ? 44 PRO L N 1 ATOM 4757 C CA . PRO C 3 42 ? -9.950 18.866 -40.547 1.00 34.27 ? 44 PRO L CA 1 ATOM 4758 C C . PRO C 3 42 ? -11.440 19.077 -40.315 1.00 39.70 ? 44 PRO L C 1 ATOM 4759 O O . PRO C 3 42 ? -11.830 19.780 -39.385 1.00 39.67 ? 44 PRO L O 1 ATOM 4760 C CB . PRO C 3 42 ? -9.433 17.683 -39.722 1.00 41.59 ? 44 PRO L CB 1 ATOM 4761 C CG . PRO C 3 42 ? -8.071 18.088 -39.298 1.00 40.86 ? 44 PRO L CG 1 ATOM 4762 C CD . PRO C 3 42 ? -8.134 19.568 -39.088 1.00 47.60 ? 44 PRO L CD 1 ATOM 4763 N N . ARG C 3 43 ? -12.260 18.457 -41.154 1.00 37.62 ? 45 ARG L N 1 ATOM 4764 C CA . ARG C 3 43 ? -13.705 18.618 -41.080 1.00 33.88 ? 45 ARG L CA 1 ATOM 4765 C C . ARG C 3 43 ? -14.393 17.259 -41.076 1.00 30.05 ? 45 ARG L C 1 ATOM 4766 O O . ARG C 3 43 ? -14.060 16.388 -41.882 1.00 30.41 ? 45 ARG L O 1 ATOM 4767 C CB . ARG C 3 43 ? -14.191 19.465 -42.258 1.00 49.66 ? 45 ARG L CB 1 ATOM 4768 C CG . ARG C 3 43 ? -15.693 19.544 -42.430 1.00 53.01 ? 45 ARG L CG 1 ATOM 4769 C CD . ARG C 3 43 ? -16.022 20.042 -43.832 1.00 52.42 ? 45 ARG L CD 1 ATOM 4770 N NE . ARG C 3 43 ? -17.341 20.662 -43.911 1.00 67.87 ? 45 ARG L NE 1 ATOM 4771 C CZ . ARG C 3 43 ? -17.866 21.149 -45.031 1.00 77.69 ? 45 ARG L CZ 1 ATOM 4772 N NH1 . ARG C 3 43 ? -17.185 21.079 -46.168 1.00 78.98 ? 45 ARG L NH1 1 ATOM 4773 N NH2 . ARG C 3 43 ? -19.072 21.701 -45.015 1.00 78.49 ? 45 ARG L NH2 1 ATOM 4774 N N . LEU C 3 44 ? -15.347 17.079 -40.167 1.00 35.40 ? 46 LEU L N 1 ATOM 4775 C CA . LEU C 3 44 ? -16.126 15.847 -40.104 1.00 39.93 ? 46 LEU L CA 1 ATOM 4776 C C . LEU C 3 44 ? -17.028 15.716 -41.328 1.00 38.17 ? 46 LEU L C 1 ATOM 4777 O O . LEU C 3 44 ? -17.857 16.584 -41.594 1.00 37.95 ? 46 LEU L O 1 ATOM 4778 C CB . LEU C 3 44 ? -16.965 15.801 -38.825 1.00 30.59 ? 46 LEU L CB 1 ATOM 4779 C CG . LEU C 3 44 ? -17.866 14.573 -38.644 1.00 35.10 ? 46 LEU L CG 1 ATOM 4780 C CD1 . LEU C 3 44 ? -17.037 13.301 -38.547 1.00 26.48 ? 46 LEU L CD1 1 ATOM 4781 C CD2 . LEU C 3 44 ? -18.764 14.728 -37.425 1.00 32.85 ? 46 LEU L CD2 1 ATOM 4782 N N . VAL C 3 45 ? -16.864 14.625 -42.069 1.00 39.31 ? 47 VAL L N 1 ATOM 4783 C CA . VAL C 3 45 ? -17.654 14.392 -43.274 1.00 35.22 ? 47 VAL L CA 1 ATOM 4784 C C . VAL C 3 45 ? -18.763 13.384 -43.012 1.00 33.63 ? 47 VAL L C 1 ATOM 4785 O O . VAL C 3 45 ? -19.936 13.635 -43.291 1.00 33.39 ? 47 VAL L O 1 ATOM 4786 C CB . VAL C 3 45 ? -16.776 13.882 -44.430 1.00 35.84 ? 47 VAL L CB 1 ATOM 4787 C CG1 . VAL C 3 45 ? -17.639 13.457 -45.614 1.00 41.23 ? 47 VAL L CG1 1 ATOM 4788 C CG2 . VAL C 3 45 ? -15.770 14.942 -44.837 1.00 38.09 ? 47 VAL L CG2 1 ATOM 4789 N N . ILE C 3 46 ? -18.367 12.239 -42.469 1.00 29.34 ? 48 ILE L N 1 ATOM 4790 C CA . ILE C 3 46 ? -19.269 11.126 -42.207 1.00 33.93 ? 48 ILE L CA 1 ATOM 4791 C C . ILE C 3 46 ? -18.995 10.577 -40.808 1.00 32.73 ? 48 ILE L C 1 ATOM 4792 O O . ILE C 3 46 ? -17.842 10.497 -40.393 1.00 37.55 ? 48 ILE L O 1 ATOM 4793 C CB . ILE C 3 46 ? -19.089 10.002 -43.258 1.00 35.05 ? 48 ILE L CB 1 ATOM 4794 C CG1 . ILE C 3 46 ? -19.640 10.435 -44.619 1.00 47.75 ? 48 ILE L CG1 1 ATOM 4795 C CG2 . ILE C 3 46 ? -19.759 8.707 -42.811 1.00 36.82 ? 48 ILE L CG2 1 ATOM 4796 C CD1 . ILE C 3 46 ? -21.134 10.289 -44.741 1.00 54.09 ? 48 ILE L CD1 1 ATOM 4797 N N . TYR C 3 47 ? -20.046 10.226 -40.074 1.00 32.97 ? 49 TYR L N 1 ATOM 4798 C CA . TYR C 3 47 ? -19.870 9.509 -38.814 1.00 34.98 ? 49 TYR L CA 1 ATOM 4799 C C . TYR C 3 47 ? -20.809 8.317 -38.758 1.00 38.50 ? 49 TYR L C 1 ATOM 4800 O O . TYR C 3 47 ? -21.788 8.254 -39.505 1.00 35.72 ? 49 TYR L O 1 ATOM 4801 C CB . TYR C 3 47 ? -20.102 10.425 -37.611 1.00 30.20 ? 49 TYR L CB 1 ATOM 4802 C CG . TYR C 3 47 ? -21.499 10.998 -37.515 1.00 38.38 ? 49 TYR L CG 1 ATOM 4803 C CD1 . TYR C 3 47 ? -21.829 12.180 -38.166 1.00 38.43 ? 49 TYR L CD1 1 ATOM 4804 C CD2 . TYR C 3 47 ? -22.483 10.364 -36.765 1.00 39.14 ? 49 TYR L CD2 1 ATOM 4805 C CE1 . TYR C 3 47 ? -23.100 12.715 -38.077 1.00 39.72 ? 49 TYR L CE1 1 ATOM 4806 C CE2 . TYR C 3 47 ? -23.761 10.891 -36.672 1.00 39.61 ? 49 TYR L CE2 1 ATOM 4807 C CZ . TYR C 3 47 ? -24.061 12.069 -37.329 1.00 43.41 ? 49 TYR L CZ 1 ATOM 4808 O OH . TYR C 3 47 ? -25.327 12.602 -37.247 1.00 43.36 ? 49 TYR L OH 1 ATOM 4809 N N . SER C 3 48 ? -20.502 7.379 -37.866 1.00 37.69 ? 50 SER L N 1 ATOM 4810 C CA . SER C 3 48 ? -21.270 6.146 -37.726 1.00 41.73 ? 50 SER L CA 1 ATOM 4811 C C . SER C 3 48 ? -21.367 5.405 -39.062 1.00 38.37 ? 50 SER L C 1 ATOM 4812 O O . SER C 3 48 ? -22.396 4.811 -39.386 1.00 32.73 ? 50 SER L O 1 ATOM 4813 C CB . SER C 3 48 ? -22.665 6.441 -37.169 1.00 38.47 ? 50 SER L CB 1 ATOM 4814 O OG . SER C 3 48 ? -23.414 5.249 -37.020 1.00 51.23 ? 50 SER L OG 1 ATOM 4815 N N . GLY C 3 49 ? -20.290 5.458 -39.839 1.00 37.72 ? 51 GLY L N 1 ATOM 4816 C CA . GLY C 3 49 ? -20.193 4.680 -41.060 1.00 37.41 ? 51 GLY L CA 1 ATOM 4817 C C . GLY C 3 49 ? -20.763 5.321 -42.313 1.00 42.77 ? 51 GLY L C 1 ATOM 4818 O O . GLY C 3 49 ? -20.127 5.288 -43.368 1.00 37.00 ? 51 GLY L O 1 ATOM 4819 N N . SER C 3 50 ? -21.958 5.899 -42.213 1.00 35.71 ? 52 SER L N 1 ATOM 4820 C CA . SER C 3 50 ? -22.646 6.378 -43.411 1.00 47.31 ? 52 SER L CA 1 ATOM 4821 C C . SER C 3 50 ? -23.501 7.629 -43.196 1.00 45.37 ? 52 SER L C 1 ATOM 4822 O O . SER C 3 50 ? -24.122 8.124 -44.138 1.00 45.37 ? 52 SER L O 1 ATOM 4823 C CB . SER C 3 50 ? -23.521 5.261 -43.984 1.00 40.81 ? 52 SER L CB 1 ATOM 4824 O OG . SER C 3 50 ? -24.497 4.848 -43.042 1.00 42.43 ? 52 SER L OG 1 ATOM 4825 N N . THR C 3 51 ? -23.537 8.141 -41.971 1.00 38.08 ? 53 THR L N 1 ATOM 4826 C CA . THR C 3 51 ? -24.327 9.337 -41.686 1.00 37.54 ? 53 THR L CA 1 ATOM 4827 C C . THR C 3 51 ? -23.564 10.605 -42.054 1.00 35.57 ? 53 THR L C 1 ATOM 4828 O O . THR C 3 51 ? -22.462 10.842 -41.558 1.00 33.45 ? 53 THR L O 1 ATOM 4829 C CB . THR C 3 51 ? -24.736 9.415 -40.205 1.00 36.94 ? 53 THR L CB 1 ATOM 4830 O OG1 . THR C 3 51 ? -25.395 8.202 -39.824 1.00 41.35 ? 53 THR L OG1 1 ATOM 4831 C CG2 . THR C 3 51 ? -25.675 10.591 -39.978 1.00 30.16 ? 53 THR L CG2 1 ATOM 4832 N N . ARG C 3 52 ? -24.156 11.418 -42.922 1.00 34.57 ? 54 ARG L N 1 ATOM 4833 C CA . ARG C 3 52 ? -23.536 12.666 -43.349 1.00 36.85 ? 54 ARG L CA 1 ATOM 4834 C C . ARG C 3 52 ? -23.629 13.743 -42.276 1.00 44.92 ? 54 ARG L C 1 ATOM 4835 O O . ARG C 3 52 ? -24.698 13.979 -41.713 1.00 47.21 ? 54 ARG L O 1 ATOM 4836 C CB . ARG C 3 52 ? -24.181 13.172 -44.643 1.00 36.89 ? 54 ARG L CB 1 ATOM 4837 C CG . ARG C 3 52 ? -23.667 12.493 -45.899 1.00 39.60 ? 54 ARG L CG 1 ATOM 4838 C CD . ARG C 3 52 ? -24.204 13.156 -47.162 1.00 48.45 ? 54 ARG L CD 1 ATOM 4839 N NE . ARG C 3 52 ? -25.517 12.647 -47.549 1.00 61.39 ? 54 ARG L NE 1 ATOM 4840 C CZ . ARG C 3 52 ? -26.663 13.290 -47.348 1.00 70.66 ? 54 ARG L CZ 1 ATOM 4841 N NH1 . ARG C 3 52 ? -26.666 14.481 -46.764 1.00 72.76 ? 54 ARG L NH1 1 ATOM 4842 N NH2 . ARG C 3 52 ? -27.808 12.745 -47.737 1.00 73.41 ? 54 ARG L NH2 1 ATOM 4843 N N . ALA C 3 53 ? -22.504 14.396 -42.000 1.00 39.52 ? 55 ALA L N 1 ATOM 4844 C CA . ALA C 3 53 ? -22.482 15.536 -41.094 1.00 41.15 ? 55 ALA L CA 1 ATOM 4845 C C . ALA C 3 53 ? -23.180 16.722 -41.747 1.00 40.71 ? 55 ALA L C 1 ATOM 4846 O O . ALA C 3 53 ? -23.423 16.715 -42.953 1.00 43.10 ? 55 ALA L O 1 ATOM 4847 C CB . ALA C 3 53 ? -21.054 15.895 -40.717 1.00 39.96 ? 55 ALA L CB 1 ATOM 4848 N N . ALA C 3 54 ? -23.500 17.739 -40.950 1.00 42.56 ? 56 ALA L N 1 ATOM 4849 C CA . ALA C 3 54 ? -24.190 18.922 -41.455 1.00 41.27 ? 56 ALA L CA 1 ATOM 4850 C C . ALA C 3 54 ? -23.359 19.642 -42.510 1.00 46.45 ? 56 ALA L C 1 ATOM 4851 O O . ALA C 3 54 ? -22.143 19.775 -42.373 1.00 51.37 ? 56 ALA L O 1 ATOM 4852 C CB . ALA C 3 54 ? -24.526 19.868 -40.311 1.00 55.55 ? 56 ALA L CB 1 ATOM 4853 N N . GLY C 3 55 ? -24.020 20.096 -43.569 1.00 45.06 ? 57 GLY L N 1 ATOM 4854 C CA . GLY C 3 55 ? -23.349 20.827 -44.627 1.00 45.80 ? 57 GLY L CA 1 ATOM 4855 C C . GLY C 3 55 ? -22.707 19.955 -45.689 1.00 45.95 ? 57 GLY L C 1 ATOM 4856 O O . GLY C 3 55 ? -22.238 20.461 -46.707 1.00 49.61 ? 57 GLY L O 1 ATOM 4857 N N . ILE C 3 56 ? -22.679 18.645 -45.457 1.00 48.29 ? 58 ILE L N 1 ATOM 4858 C CA . ILE C 3 56 ? -22.108 17.704 -46.421 1.00 35.32 ? 58 ILE L CA 1 ATOM 4859 C C . ILE C 3 56 ? -23.156 17.264 -47.445 1.00 40.08 ? 58 ILE L C 1 ATOM 4860 O O . ILE C 3 56 ? -24.197 16.723 -47.075 1.00 50.81 ? 58 ILE L O 1 ATOM 4861 C CB . ILE C 3 56 ? -21.533 16.453 -45.718 1.00 44.78 ? 58 ILE L CB 1 ATOM 4862 C CG1 . ILE C 3 56 ? -20.575 16.856 -44.594 1.00 44.51 ? 58 ILE L CG1 1 ATOM 4863 C CG2 . ILE C 3 56 ? -20.837 15.540 -46.724 1.00 38.72 ? 58 ILE L CG2 1 ATOM 4864 C CD1 . ILE C 3 56 ? -19.371 17.638 -45.069 1.00 40.54 ? 58 ILE L CD1 1 ATOM 4865 N N . PRO C 3 57 ? -22.882 17.493 -48.740 1.00 45.35 ? 59 PRO L N 1 ATOM 4866 C CA . PRO C 3 57 ? -23.809 17.126 -49.821 1.00 44.25 ? 59 PRO L CA 1 ATOM 4867 C C . PRO C 3 57 ? -23.868 15.614 -50.045 1.00 47.88 ? 59 PRO L C 1 ATOM 4868 O O . PRO C 3 57 ? -22.965 14.901 -49.606 1.00 50.57 ? 59 PRO L O 1 ATOM 4869 C CB . PRO C 3 57 ? -23.218 17.837 -51.040 1.00 47.70 ? 59 PRO L CB 1 ATOM 4870 C CG . PRO C 3 57 ? -21.758 17.886 -50.756 1.00 49.61 ? 59 PRO L CG 1 ATOM 4871 C CD . PRO C 3 57 ? -21.640 18.090 -49.261 1.00 47.04 ? 59 PRO L CD 1 ATOM 4872 N N . ASP C 3 58 ? -24.904 15.136 -50.731 1.00 49.41 ? 60 ASP L N 1 ATOM 4873 C CA . ASP C 3 58 ? -25.111 13.697 -50.890 1.00 56.23 ? 60 ASP L CA 1 ATOM 4874 C C . ASP C 3 58 ? -24.143 13.058 -51.886 1.00 55.54 ? 60 ASP L C 1 ATOM 4875 O O . ASP C 3 58 ? -24.224 11.859 -52.152 1.00 55.18 ? 60 ASP L O 1 ATOM 4876 C CB . ASP C 3 58 ? -26.557 13.402 -51.308 1.00 59.58 ? 60 ASP L CB 1 ATOM 4877 C CG . ASP C 3 58 ? -27.005 14.217 -52.506 1.00 73.44 ? 60 ASP L CG 1 ATOM 4878 O OD1 . ASP C 3 58 ? -26.145 14.811 -53.192 1.00 81.81 ? 60 ASP L OD1 1 ATOM 4879 O OD2 . ASP C 3 58 ? -28.226 14.257 -52.768 1.00 76.68 ? 60 ASP L OD2 1 ATOM 4880 N N . ARG C 3 59 ? -23.231 13.859 -52.432 1.00 49.16 ? 61 ARG L N 1 ATOM 4881 C CA . ARG C 3 59 ? -22.169 13.338 -53.288 1.00 44.28 ? 61 ARG L CA 1 ATOM 4882 C C . ARG C 3 59 ? -21.205 12.498 -52.457 1.00 45.02 ? 61 ARG L C 1 ATOM 4883 O O . ARG C 3 59 ? -20.516 11.622 -52.979 1.00 40.91 ? 61 ARG L O 1 ATOM 4884 C CB . ARG C 3 59 ? -21.421 14.478 -53.984 1.00 51.76 ? 61 ARG L CB 1 ATOM 4885 C CG . ARG C 3 59 ? -22.309 15.359 -54.849 1.00 61.70 ? 61 ARG L CG 1 ATOM 4886 C CD . ARG C 3 59 ? -21.505 16.409 -55.606 1.00 65.88 ? 61 ARG L CD 1 ATOM 4887 N NE . ARG C 3 59 ? -20.959 17.445 -54.732 1.00 60.71 ? 61 ARG L NE 1 ATOM 4888 C CZ . ARG C 3 59 ? -19.692 17.498 -54.332 1.00 50.20 ? 61 ARG L CZ 1 ATOM 4889 N NH1 . ARG C 3 59 ? -18.829 16.570 -54.725 1.00 46.26 ? 61 ARG L NH1 1 ATOM 4890 N NH2 . ARG C 3 59 ? -19.285 18.482 -53.541 1.00 48.29 ? 61 ARG L NH2 1 ATOM 4891 N N . PHE C 3 60 ? -21.158 12.790 -51.160 1.00 42.36 ? 62 PHE L N 1 ATOM 4892 C CA . PHE C 3 60 ? -20.392 12.002 -50.205 1.00 41.34 ? 62 PHE L CA 1 ATOM 4893 C C . PHE C 3 60 ? -21.265 10.889 -49.641 1.00 44.10 ? 62 PHE L C 1 ATOM 4894 O O . PHE C 3 60 ? -22.341 11.152 -49.101 1.00 52.09 ? 62 PHE L O 1 ATOM 4895 C CB . PHE C 3 60 ? -19.873 12.875 -49.058 1.00 33.64 ? 62 PHE L CB 1 ATOM 4896 C CG . PHE C 3 60 ? -18.877 13.919 -49.479 1.00 36.90 ? 62 PHE L CG 1 ATOM 4897 C CD1 . PHE C 3 60 ? -19.295 15.104 -50.065 1.00 44.06 ? 62 PHE L CD1 1 ATOM 4898 C CD2 . PHE C 3 60 ? -17.523 13.726 -49.263 1.00 32.84 ? 62 PHE L CD2 1 ATOM 4899 C CE1 . PHE C 3 60 ? -18.379 16.070 -50.445 1.00 46.10 ? 62 PHE L CE1 1 ATOM 4900 C CE2 . PHE C 3 60 ? -16.602 14.688 -49.641 1.00 30.38 ? 62 PHE L CE2 1 ATOM 4901 C CZ . PHE C 3 60 ? -17.031 15.862 -50.231 1.00 32.75 ? 62 PHE L CZ 1 ATOM 4902 N N . SER C 3 61 ? -20.812 9.647 -49.761 1.00 38.04 ? 63 SER L N 1 ATOM 4903 C CA . SER C 3 61 ? -21.548 8.536 -49.172 1.00 40.55 ? 63 SER L CA 1 ATOM 4904 C C . SER C 3 61 ? -20.607 7.494 -48.583 1.00 38.17 ? 63 SER L C 1 ATOM 4905 O O . SER C 3 61 ? -19.575 7.165 -49.171 1.00 40.43 ? 63 SER L O 1 ATOM 4906 C CB . SER C 3 61 ? -22.468 7.887 -50.205 1.00 43.11 ? 63 SER L CB 1 ATOM 4907 O OG . SER C 3 61 ? -21.716 7.241 -51.214 1.00 57.48 ? 63 SER L OG 1 ATOM 4908 N N . GLY C 3 62 ? -20.971 6.982 -47.413 1.00 38.19 ? 64 GLY L N 1 ATOM 4909 C CA . GLY C 3 62 ? -20.199 5.943 -46.759 1.00 36.04 ? 64 GLY L CA 1 ATOM 4910 C C . GLY C 3 62 ? -20.872 4.590 -46.883 1.00 35.99 ? 64 GLY L C 1 ATOM 4911 O O . GLY C 3 62 ? -22.098 4.488 -46.853 1.00 43.91 ? 64 GLY L O 1 ATOM 4912 N N . SER C 3 63 ? -20.065 3.548 -47.036 1.00 37.09 ? 65 SER L N 1 ATOM 4913 C CA . SER C 3 63 ? -20.578 2.187 -47.120 1.00 34.72 ? 65 SER L CA 1 ATOM 4914 C C . SER C 3 63 ? -19.651 1.234 -46.379 1.00 40.13 ? 65 SER L C 1 ATOM 4915 O O . SER C 3 63 ? -18.522 1.591 -46.040 1.00 42.20 ? 65 SER L O 1 ATOM 4916 C CB . SER C 3 63 ? -20.735 1.753 -48.580 1.00 38.96 ? 65 SER L CB 1 ATOM 4917 O OG . SER C 3 63 ? -19.517 1.907 -49.290 1.00 42.44 ? 65 SER L OG 1 ATOM 4918 N N . ARG C 3 64 ? -20.135 0.025 -46.122 1.00 41.25 ? 66 ARG L N 1 ATOM 4919 C CA . ARG C 3 64 ? -19.349 -0.971 -45.406 1.00 47.19 ? 66 ARG L CA 1 ATOM 4920 C C . ARG C 3 64 ? -19.598 -2.374 -45.942 1.00 41.78 ? 66 ARG L C 1 ATOM 4921 O O . ARG C 3 64 ? -20.743 -2.804 -46.083 1.00 41.72 ? 66 ARG L O 1 ATOM 4922 C CB . ARG C 3 64 ? -19.659 -0.934 -43.907 1.00 42.99 ? 66 ARG L CB 1 ATOM 4923 C CG . ARG C 3 64 ? -18.875 -1.964 -43.106 1.00 50.99 ? 66 ARG L CG 1 ATOM 4924 C CD . ARG C 3 64 ? -19.586 -2.352 -41.816 1.00 48.79 ? 66 ARG L CD 1 ATOM 4925 N NE . ARG C 3 64 ? -20.945 -2.825 -42.067 1.00 52.88 ? 66 ARG L NE 1 ATOM 4926 C CZ . ARG C 3 64 ? -21.249 -4.051 -42.481 1.00 60.45 ? 66 ARG L CZ 1 ATOM 4927 N NH1 . ARG C 3 64 ? -22.516 -4.389 -42.680 1.00 65.94 ? 66 ARG L NH1 1 ATOM 4928 N NH2 . ARG C 3 64 ? -20.288 -4.939 -42.699 1.00 58.48 ? 66 ARG L NH2 1 ATOM 4929 N N . TRP C 3 65 ? -18.516 -3.082 -46.244 1.00 46.98 ? 67 TRP L N 1 ATOM 4930 C CA . TRP C 3 65 ? -18.597 -4.486 -46.613 1.00 52.04 ? 67 TRP L CA 1 ATOM 4931 C C . TRP C 3 65 ? -17.584 -5.274 -45.799 1.00 46.01 ? 67 TRP L C 1 ATOM 4932 O O . TRP C 3 65 ? -16.375 -5.115 -45.971 1.00 52.56 ? 67 TRP L O 1 ATOM 4933 C CB . TRP C 3 65 ? -18.364 -4.669 -48.112 1.00 51.56 ? 67 TRP L CB 1 ATOM 4934 C CG . TRP C 3 65 ? -19.490 -4.126 -48.925 1.00 53.49 ? 67 TRP L CG 1 ATOM 4935 C CD1 . TRP C 3 65 ? -19.596 -2.868 -49.439 1.00 44.17 ? 67 TRP L CD1 1 ATOM 4936 C CD2 . TRP C 3 65 ? -20.690 -4.816 -49.298 1.00 44.35 ? 67 TRP L CD2 1 ATOM 4937 N NE1 . TRP C 3 65 ? -20.781 -2.735 -50.121 1.00 50.15 ? 67 TRP L NE1 1 ATOM 4938 C CE2 . TRP C 3 65 ? -21.471 -3.917 -50.050 1.00 44.01 ? 67 TRP L CE2 1 ATOM 4939 C CE3 . TRP C 3 65 ? -21.173 -6.109 -49.078 1.00 47.65 ? 67 TRP L CE3 1 ATOM 4940 C CZ2 . TRP C 3 65 ? -22.712 -4.267 -50.578 1.00 47.46 ? 67 TRP L CZ2 1 ATOM 4941 C CZ3 . TRP C 3 65 ? -22.406 -6.458 -49.607 1.00 50.48 ? 67 TRP L CZ3 1 ATOM 4942 C CH2 . TRP C 3 65 ? -23.160 -5.541 -50.347 1.00 60.27 ? 67 TRP L CH2 1 ATOM 4943 N N . GLY C 3 66 ? -18.088 -6.119 -44.908 1.00 52.47 ? 68 GLY L N 1 ATOM 4944 C CA . GLY C 3 66 ? -17.240 -6.793 -43.945 1.00 56.75 ? 68 GLY L CA 1 ATOM 4945 C C . GLY C 3 66 ? -16.519 -5.748 -43.120 1.00 41.64 ? 68 GLY L C 1 ATOM 4946 O O . GLY C 3 66 ? -17.135 -4.793 -42.652 1.00 44.83 ? 68 GLY L O 1 ATOM 4947 N N . PRO C 3 67 ? -15.201 -5.910 -42.953 1.00 45.45 ? 69 PRO L N 1 ATOM 4948 C CA . PRO C 3 67 ? -14.415 -4.932 -42.197 1.00 49.83 ? 69 PRO L CA 1 ATOM 4949 C C . PRO C 3 67 ? -13.960 -3.740 -43.041 1.00 46.35 ? 69 PRO L C 1 ATOM 4950 O O . PRO C 3 67 ? -13.222 -2.895 -42.537 1.00 45.74 ? 69 PRO L O 1 ATOM 4951 C CB . PRO C 3 67 ? -13.215 -5.754 -41.722 1.00 50.25 ? 69 PRO L CB 1 ATOM 4952 C CG . PRO C 3 67 ? -13.032 -6.775 -42.795 1.00 51.27 ? 69 PRO L CG 1 ATOM 4953 C CD . PRO C 3 67 ? -14.410 -7.102 -43.310 1.00 46.65 ? 69 PRO L CD 1 ATOM 4954 N N . ASP C 3 68 ? -14.397 -3.668 -44.296 1.00 42.64 ? 70 ASP L N 1 ATOM 4955 C CA . ASP C 3 68 ? -13.959 -2.597 -45.191 1.00 41.59 ? 70 ASP L CA 1 ATOM 4956 C C . ASP C 3 68 ? -14.986 -1.478 -45.303 1.00 39.99 ? 70 ASP L C 1 ATOM 4957 O O . ASP C 3 68 ? -16.066 -1.659 -45.868 1.00 40.35 ? 70 ASP L O 1 ATOM 4958 C CB . ASP C 3 68 ? -13.654 -3.147 -46.588 1.00 39.98 ? 70 ASP L CB 1 ATOM 4959 C CG . ASP C 3 68 ? -12.516 -4.149 -46.589 1.00 53.36 ? 70 ASP L CG 1 ATOM 4960 O OD1 . ASP C 3 68 ? -11.493 -3.895 -45.920 1.00 52.98 ? 70 ASP L OD1 1 ATOM 4961 O OD2 . ASP C 3 68 ? -12.645 -5.193 -47.261 1.00 63.50 ? 70 ASP L OD2 1 ATOM 4962 N N . TYR C 3 69 ? -14.634 -0.317 -44.767 1.00 40.10 ? 71 TYR L N 1 ATOM 4963 C CA . TYR C 3 69 ? -15.475 0.865 -44.885 1.00 42.76 ? 71 TYR L CA 1 ATOM 4964 C C . TYR C 3 69 ? -14.996 1.701 -46.063 1.00 45.85 ? 71 TYR L C 1 ATOM 4965 O O . TYR C 3 69 ? -13.793 1.867 -46.259 1.00 41.86 ? 71 TYR L O 1 ATOM 4966 C CB . TYR C 3 69 ? -15.437 1.693 -43.603 1.00 36.08 ? 71 TYR L CB 1 ATOM 4967 C CG . TYR C 3 69 ? -16.038 1.024 -42.386 1.00 37.38 ? 71 TYR L CG 1 ATOM 4968 C CD1 . TYR C 3 69 ? -15.379 -0.016 -41.741 1.00 37.76 ? 71 TYR L CD1 1 ATOM 4969 C CD2 . TYR C 3 69 ? -17.250 1.458 -41.861 1.00 40.17 ? 71 TYR L CD2 1 ATOM 4970 C CE1 . TYR C 3 69 ? -15.921 -0.619 -40.617 1.00 44.86 ? 71 TYR L CE1 1 ATOM 4971 C CE2 . TYR C 3 69 ? -17.798 0.862 -40.735 1.00 42.38 ? 71 TYR L CE2 1 ATOM 4972 C CZ . TYR C 3 69 ? -17.130 -0.174 -40.119 1.00 47.85 ? 71 TYR L CZ 1 ATOM 4973 O OH . TYR C 3 69 ? -17.673 -0.770 -39.001 1.00 56.97 ? 71 TYR L OH 1 ATOM 4974 N N . ASN C 3 70 ? -15.928 2.236 -46.842 1.00 37.18 ? 72 ASN L N 1 ATOM 4975 C CA . ASN C 3 70 ? -15.551 3.008 -48.014 1.00 36.73 ? 72 ASN L CA 1 ATOM 4976 C C . ASN C 3 70 ? -16.221 4.375 -48.032 1.00 35.90 ? 72 ASN L C 1 ATOM 4977 O O . ASN C 3 70 ? -17.424 4.505 -47.777 1.00 40.51 ? 72 ASN L O 1 ATOM 4978 C CB . ASN C 3 70 ? -15.901 2.251 -49.319 1.00 34.39 ? 72 ASN L CB 1 ATOM 4979 N N . LEU C 3 71 ? -15.426 5.401 -48.308 1.00 35.39 ? 73 LEU L N 1 ATOM 4980 C CA . LEU C 3 71 ? -15.963 6.729 -48.592 1.00 38.45 ? 73 LEU L CA 1 ATOM 4981 C C . LEU C 3 71 ? -15.895 6.970 -50.103 1.00 38.67 ? 73 LEU L C 1 ATOM 4982 O O . LEU C 3 71 ? -14.808 6.893 -50.704 1.00 34.26 ? 73 LEU L O 1 ATOM 4983 C CB . LEU C 3 71 ? -15.196 7.811 -47.816 1.00 37.01 ? 73 LEU L CB 1 ATOM 4984 C CG . LEU C 3 71 ? -15.536 9.236 -48.260 1.00 39.43 ? 73 LEU L CG 1 ATOM 4985 C CD1 . LEU C 3 71 ? -16.955 9.584 -47.848 1.00 31.70 ? 73 LEU L CD1 1 ATOM 4986 C CD2 . LEU C 3 71 ? -14.529 10.258 -47.717 1.00 32.78 ? 73 LEU L CD2 1 ATOM 4987 N N . THR C 3 72 ? -17.055 7.207 -50.711 1.00 31.32 ? 74 THR L N 1 ATOM 4988 C CA . THR C 3 72 ? -17.110 7.521 -52.122 1.00 36.70 ? 74 THR L CA 1 ATOM 4989 C C . THR C 3 72 ? -17.579 8.930 -52.388 1.00 38.40 ? 74 THR L C 1 ATOM 4990 O O . THR C 3 72 ? -18.635 9.328 -51.916 1.00 39.70 ? 74 THR L O 1 ATOM 4991 C CB . THR C 3 72 ? -18.040 6.543 -52.864 1.00 47.79 ? 74 THR L CB 1 ATOM 4992 O OG1 . THR C 3 72 ? -19.364 6.602 -52.308 1.00 70.56 ? 74 THR L OG1 1 ATOM 4993 C CG2 . THR C 3 72 ? -17.487 5.105 -52.713 1.00 28.74 ? 74 THR L CG2 1 ATOM 4994 N N . ILE C 3 73 ? -16.791 9.680 -53.150 1.00 36.80 ? 75 ILE L N 1 ATOM 4995 C CA . ILE C 3 73 ? -17.090 11.081 -53.435 1.00 36.87 ? 75 ILE L CA 1 ATOM 4996 C C . ILE C 3 73 ? -17.339 11.253 -54.923 1.00 37.32 ? 75 ILE L C 1 ATOM 4997 O O . ILE C 3 73 ? -16.403 11.211 -55.712 1.00 38.99 ? 75 ILE L O 1 ATOM 4998 C CB . ILE C 3 73 ? -15.942 12.001 -52.996 1.00 32.57 ? 75 ILE L CB 1 ATOM 4999 C CG1 . ILE C 3 73 ? -15.501 11.655 -51.572 1.00 28.20 ? 75 ILE L CG1 1 ATOM 5000 C CG2 . ILE C 3 73 ? -16.360 13.459 -53.078 1.00 32.90 ? 75 ILE L CG2 1 ATOM 5001 C CD1 . ILE C 3 73 ? -14.241 12.347 -51.141 1.00 41.81 ? 75 ILE L CD1 1 ATOM 5002 N N . SER C 3 74 ? -18.605 11.412 -55.298 1.00 40.43 ? 76 SER L N 1 ATOM 5003 C CA . SER C 3 74 ? -18.990 11.524 -56.702 1.00 50.41 ? 76 SER L CA 1 ATOM 5004 C C . SER C 3 74 ? -18.948 12.965 -57.209 1.00 45.91 ? 76 SER L C 1 ATOM 5005 O O . SER C 3 74 ? -19.130 13.906 -56.433 1.00 44.54 ? 76 SER L O 1 ATOM 5006 C CB . SER C 3 74 ? -20.395 10.953 -56.913 1.00 59.17 ? 76 SER L CB 1 ATOM 5007 O OG . SER C 3 74 ? -20.476 9.615 -56.457 1.00 67.03 ? 76 SER L OG 1 ATOM 5008 N N . ASN C 3 75 ? -18.726 13.118 -58.514 1.00 49.46 ? 77 ASN L N 1 ATOM 5009 C CA . ASN C 3 75 ? -18.714 14.426 -59.173 1.00 47.92 ? 77 ASN L CA 1 ATOM 5010 C C . ASN C 3 75 ? -17.799 15.430 -58.478 1.00 48.26 ? 77 ASN L C 1 ATOM 5011 O O . ASN C 3 75 ? -18.248 16.503 -58.070 1.00 54.58 ? 77 ASN L O 1 ATOM 5012 C CB . ASN C 3 75 ? -20.133 14.995 -59.250 1.00 61.76 ? 77 ASN L CB 1 ATOM 5013 C CG . ASN C 3 75 ? -21.127 14.007 -59.825 1.00 77.27 ? 77 ASN L CG 1 ATOM 5014 O OD1 . ASN C 3 75 ? -20.806 13.240 -60.733 1.00 78.21 ? 77 ASN L OD1 1 ATOM 5015 N ND2 . ASN C 3 75 ? -22.345 14.019 -59.294 1.00 86.52 ? 77 ASN L ND2 1 ATOM 5016 N N . LEU C 3 76 ? -16.525 15.071 -58.347 1.00 40.01 ? 78 LEU L N 1 ATOM 5017 C CA . LEU C 3 76 ? -15.542 15.872 -57.617 1.00 42.53 ? 78 LEU L CA 1 ATOM 5018 C C . LEU C 3 76 ? -15.521 17.346 -58.014 1.00 47.17 ? 78 LEU L C 1 ATOM 5019 O O . LEU C 3 76 ? -15.462 17.681 -59.198 1.00 45.84 ? 78 LEU L O 1 ATOM 5020 C CB . LEU C 3 76 ? -14.143 15.285 -57.808 1.00 39.10 ? 78 LEU L CB 1 ATOM 5021 C CG . LEU C 3 76 ? -13.779 14.053 -56.981 1.00 44.41 ? 78 LEU L CG 1 ATOM 5022 C CD1 . LEU C 3 76 ? -12.479 13.451 -57.489 1.00 40.95 ? 78 LEU L CD1 1 ATOM 5023 C CD2 . LEU C 3 76 ? -13.665 14.420 -55.505 1.00 34.70 ? 78 LEU L CD2 1 ATOM 5024 N N . GLU C 3 77 ? -15.578 18.215 -57.009 1.00 44.20 ? 79 GLU L N 1 ATOM 5025 C CA . GLU C 3 77 ? -15.427 19.653 -57.204 1.00 54.26 ? 79 GLU L CA 1 ATOM 5026 C C . GLU C 3 77 ? -14.107 20.112 -56.601 1.00 54.44 ? 79 GLU L C 1 ATOM 5027 O O . GLU C 3 77 ? -13.427 19.337 -55.928 1.00 47.82 ? 79 GLU L O 1 ATOM 5028 C CB . GLU C 3 77 ? -16.583 20.423 -56.563 1.00 64.65 ? 79 GLU L CB 1 ATOM 5029 C CG . GLU C 3 77 ? -17.959 20.052 -57.073 1.00 67.78 ? 79 GLU L CG 1 ATOM 5030 C CD . GLU C 3 77 ? -19.056 20.794 -56.337 1.00 71.12 ? 79 GLU L CD 1 ATOM 5031 O OE1 . GLU C 3 77 ? -18.733 21.529 -55.380 1.00 73.79 ? 79 GLU L OE1 1 ATOM 5032 O OE2 . GLU C 3 77 ? -20.237 20.644 -56.712 1.00 73.89 ? 79 GLU L OE2 1 ATOM 5033 N N . SER C 3 78 ? -13.761 21.377 -56.824 1.00 43.73 ? 80 SER L N 1 ATOM 5034 C CA . SER C 3 78 ? -12.519 21.943 -56.304 1.00 45.75 ? 80 SER L CA 1 ATOM 5035 C C . SER C 3 78 ? -12.417 21.832 -54.783 1.00 41.94 ? 80 SER L C 1 ATOM 5036 O O . SER C 3 78 ? -11.360 21.499 -54.245 1.00 53.42 ? 80 SER L O 1 ATOM 5037 C CB . SER C 3 78 ? -12.392 23.410 -56.723 1.00 43.73 ? 80 SER L CB 1 ATOM 5038 O OG . SER C 3 78 ? -12.350 23.527 -58.134 1.00 64.65 ? 80 SER L OG 1 ATOM 5039 N N . GLY C 3 79 ? -13.521 22.102 -54.094 1.00 36.23 ? 81 GLY L N 1 ATOM 5040 C CA . GLY C 3 79 ? -13.539 22.060 -52.642 1.00 34.76 ? 81 GLY L CA 1 ATOM 5041 C C . GLY C 3 79 ? -13.471 20.665 -52.050 1.00 38.96 ? 81 GLY L C 1 ATOM 5042 O O . GLY C 3 79 ? -13.429 20.509 -50.830 1.00 47.49 ? 81 GLY L O 1 ATOM 5043 N N . ASP C 3 80 ? -13.459 19.646 -52.903 1.00 39.47 ? 82 ASP L N 1 ATOM 5044 C CA . ASP C 3 80 ? -13.428 18.264 -52.425 1.00 39.59 ? 82 ASP L CA 1 ATOM 5045 C C . ASP C 3 80 ? -12.004 17.750 -52.248 1.00 42.08 ? 82 ASP L C 1 ATOM 5046 O O . ASP C 3 80 ? -11.766 16.808 -51.492 1.00 37.53 ? 82 ASP L O 1 ATOM 5047 C CB . ASP C 3 80 ? -14.183 17.340 -53.385 1.00 40.83 ? 82 ASP L CB 1 ATOM 5048 C CG . ASP C 3 80 ? -15.653 17.690 -53.503 1.00 46.12 ? 82 ASP L CG 1 ATOM 5049 O OD1 . ASP C 3 80 ? -16.192 18.332 -52.579 1.00 45.84 ? 82 ASP L OD1 1 ATOM 5050 O OD2 . ASP C 3 80 ? -16.271 17.310 -54.522 1.00 45.55 ? 82 ASP L OD2 1 ATOM 5051 N N . PHE C 3 81 ? -11.058 18.365 -52.949 1.00 38.17 ? 83 PHE L N 1 ATOM 5052 C CA . PHE C 3 81 ? -9.682 17.882 -52.946 1.00 42.01 ? 83 PHE L CA 1 ATOM 5053 C C . PHE C 3 81 ? -8.963 18.212 -51.642 1.00 45.70 ? 83 PHE L C 1 ATOM 5054 O O . PHE C 3 81 ? -9.210 19.250 -51.026 1.00 45.20 ? 83 PHE L O 1 ATOM 5055 C CB . PHE C 3 81 ? -8.920 18.455 -54.141 1.00 42.49 ? 83 PHE L CB 1 ATOM 5056 C CG . PHE C 3 81 ? -9.418 17.949 -55.467 1.00 42.81 ? 83 PHE L CG 1 ATOM 5057 C CD1 . PHE C 3 81 ? -10.435 18.606 -56.138 1.00 38.76 ? 83 PHE L CD1 1 ATOM 5058 C CD2 . PHE C 3 81 ? -8.879 16.806 -56.033 1.00 37.46 ? 83 PHE L CD2 1 ATOM 5059 C CE1 . PHE C 3 81 ? -10.900 18.136 -57.352 1.00 41.43 ? 83 PHE L CE1 1 ATOM 5060 C CE2 . PHE C 3 81 ? -9.338 16.332 -57.248 1.00 42.12 ? 83 PHE L CE2 1 ATOM 5061 C CZ . PHE C 3 81 ? -10.349 16.998 -57.909 1.00 40.98 ? 83 PHE L CZ 1 ATOM 5062 N N . GLY C 3 82 ? -8.076 17.311 -51.230 1.00 39.48 ? 84 GLY L N 1 ATOM 5063 C CA . GLY C 3 82 ? -7.373 17.427 -49.965 1.00 38.82 ? 84 GLY L CA 1 ATOM 5064 C C . GLY C 3 82 ? -7.048 16.048 -49.420 1.00 42.70 ? 84 GLY L C 1 ATOM 5065 O O . GLY C 3 82 ? -7.018 15.073 -50.170 1.00 37.31 ? 84 GLY L O 1 ATOM 5066 N N . VAL C 3 83 ? -6.809 15.952 -48.117 1.00 38.65 ? 85 VAL L N 1 ATOM 5067 C CA . VAL C 3 83 ? -6.492 14.658 -47.521 1.00 34.56 ? 85 VAL L CA 1 ATOM 5068 C C . VAL C 3 83 ? -7.655 14.153 -46.666 1.00 37.39 ? 85 VAL L C 1 ATOM 5069 O O . VAL C 3 83 ? -8.245 14.908 -45.889 1.00 38.06 ? 85 VAL L O 1 ATOM 5070 C CB . VAL C 3 83 ? -5.194 14.730 -46.681 1.00 38.89 ? 85 VAL L CB 1 ATOM 5071 C CG1 . VAL C 3 83 ? -5.249 15.883 -45.696 1.00 67.69 ? 85 VAL L CG1 1 ATOM 5072 C CG2 . VAL C 3 83 ? -4.936 13.413 -45.962 1.00 33.80 ? 85 VAL L CG2 1 ATOM 5073 N N . TYR C 3 84 ? -7.986 12.873 -46.829 1.00 32.71 ? 86 TYR L N 1 ATOM 5074 C CA . TYR C 3 84 ? -9.091 12.251 -46.105 1.00 32.85 ? 86 TYR L CA 1 ATOM 5075 C C . TYR C 3 84 ? -8.606 11.212 -45.092 1.00 34.40 ? 86 TYR L C 1 ATOM 5076 O O . TYR C 3 84 ? -7.697 10.438 -45.374 1.00 35.01 ? 86 TYR L O 1 ATOM 5077 C CB . TYR C 3 84 ? -10.072 11.607 -47.090 1.00 28.84 ? 86 TYR L CB 1 ATOM 5078 C CG . TYR C 3 84 ? -10.905 12.619 -47.838 1.00 31.48 ? 86 TYR L CG 1 ATOM 5079 C CD1 . TYR C 3 84 ? -10.424 13.231 -48.989 1.00 34.76 ? 86 TYR L CD1 1 ATOM 5080 C CD2 . TYR C 3 84 ? -12.168 12.975 -47.384 1.00 31.94 ? 86 TYR L CD2 1 ATOM 5081 C CE1 . TYR C 3 84 ? -11.182 14.168 -49.669 1.00 34.41 ? 86 TYR L CE1 1 ATOM 5082 C CE2 . TYR C 3 84 ? -12.935 13.906 -48.055 1.00 37.35 ? 86 TYR L CE2 1 ATOM 5083 C CZ . TYR C 3 84 ? -12.436 14.503 -49.194 1.00 38.84 ? 86 TYR L CZ 1 ATOM 5084 O OH . TYR C 3 84 ? -13.201 15.430 -49.860 1.00 37.01 ? 86 TYR L OH 1 ATOM 5085 N N . TYR C 3 85 ? -9.222 11.201 -43.913 1.00 31.49 ? 87 TYR L N 1 ATOM 5086 C CA . TYR C 3 85 ? -8.861 10.248 -42.864 1.00 30.63 ? 87 TYR L CA 1 ATOM 5087 C C . TYR C 3 85 ? -10.071 9.486 -42.351 1.00 29.20 ? 87 TYR L C 1 ATOM 5088 O O . TYR C 3 85 ? -11.140 10.065 -42.159 1.00 30.95 ? 87 TYR L O 1 ATOM 5089 C CB . TYR C 3 85 ? -8.200 10.954 -41.680 1.00 28.18 ? 87 TYR L CB 1 ATOM 5090 C CG . TYR C 3 85 ? -6.980 11.781 -42.008 1.00 28.21 ? 87 TYR L CG 1 ATOM 5091 C CD1 . TYR C 3 85 ? -5.731 11.189 -42.137 1.00 27.92 ? 87 TYR L CD1 1 ATOM 5092 C CD2 . TYR C 3 85 ? -7.071 13.160 -42.154 1.00 30.72 ? 87 TYR L CD2 1 ATOM 5093 C CE1 . TYR C 3 85 ? -4.607 11.946 -42.426 1.00 37.59 ? 87 TYR L CE1 1 ATOM 5094 C CE2 . TYR C 3 85 ? -5.953 13.926 -42.437 1.00 34.73 ? 87 TYR L CE2 1 ATOM 5095 C CZ . TYR C 3 85 ? -4.724 13.313 -42.571 1.00 37.94 ? 87 TYR L CZ 1 ATOM 5096 O OH . TYR C 3 85 ? -3.610 14.070 -42.854 1.00 49.75 ? 87 TYR L OH 1 ATOM 5097 N N . CYS C 3 86 ? -9.897 8.190 -42.117 1.00 24.99 ? 88 CYS L N 1 ATOM 5098 C CA . CYS C 3 86 ? -10.906 7.409 -41.415 1.00 24.70 ? 88 CYS L CA 1 ATOM 5099 C C . CYS C 3 86 ? -10.542 7.377 -39.936 1.00 31.51 ? 88 CYS L C 1 ATOM 5100 O O . CYS C 3 86 ? -9.381 7.583 -39.580 1.00 34.74 ? 88 CYS L O 1 ATOM 5101 C CB . CYS C 3 86 ? -11.003 5.991 -41.981 1.00 26.29 ? 88 CYS L CB 1 ATOM 5102 S SG . CYS C 3 86 ? -9.491 5.034 -41.825 1.00 39.27 ? 88 CYS L SG 1 ATOM 5103 N N . GLN C 3 87 ? -11.523 7.118 -39.076 1.00 34.37 ? 89 GLN L N 1 ATOM 5104 C CA . GLN C 3 87 ? -11.282 7.135 -37.634 1.00 31.80 ? 89 GLN L CA 1 ATOM 5105 C C . GLN C 3 87 ? -12.204 6.206 -36.853 1.00 29.99 ? 89 GLN L C 1 ATOM 5106 O O . GLN C 3 87 ? -13.403 6.135 -37.126 1.00 28.98 ? 89 GLN L O 1 ATOM 5107 C CB . GLN C 3 87 ? -11.434 8.557 -37.085 1.00 32.10 ? 89 GLN L CB 1 ATOM 5108 C CG . GLN C 3 87 ? -11.246 8.655 -35.569 1.00 33.31 ? 89 GLN L CG 1 ATOM 5109 C CD . GLN C 3 87 ? -12.275 9.547 -34.900 1.00 41.00 ? 89 GLN L CD 1 ATOM 5110 O OE1 . GLN C 3 87 ? -13.300 9.885 -35.491 1.00 40.26 ? 89 GLN L OE1 1 ATOM 5111 N NE2 . GLN C 3 87 ? -12.002 9.937 -33.660 1.00 38.77 ? 89 GLN L NE2 1 ATOM 5112 N N . GLN C 3 88 ? -11.628 5.505 -35.879 1.00 27.27 ? 90 GLN L N 1 ATOM 5113 C CA . GLN C 3 88 ? -12.384 4.748 -34.884 1.00 30.55 ? 90 GLN L CA 1 ATOM 5114 C C . GLN C 3 88 ? -11.836 5.038 -33.492 1.00 30.07 ? 90 GLN L C 1 ATOM 5115 O O . GLN C 3 88 ? -10.672 4.750 -33.214 1.00 36.58 ? 90 GLN L O 1 ATOM 5116 C CB . GLN C 3 88 ? -12.316 3.247 -35.157 1.00 34.71 ? 90 GLN L CB 1 ATOM 5117 C CG . GLN C 3 88 ? -13.311 2.735 -36.173 1.00 48.00 ? 90 GLN L CG 1 ATOM 5118 C CD . GLN C 3 88 ? -13.359 1.221 -36.193 1.00 53.35 ? 90 GLN L CD 1 ATOM 5119 O OE1 . GLN C 3 88 ? -12.330 0.560 -36.325 1.00 50.15 ? 90 GLN L OE1 1 ATOM 5120 N NE2 . GLN C 3 88 ? -14.554 0.662 -36.038 1.00 52.56 ? 90 GLN L NE2 1 ATOM 5121 N N . TYR C 3 89 ? -12.678 5.590 -32.623 1.00 34.35 ? 91 TYR L N 1 ATOM 5122 C CA . TYR C 3 89 ? -12.237 6.036 -31.306 1.00 34.38 ? 91 TYR L CA 1 ATOM 5123 C C . TYR C 3 89 ? -11.013 6.939 -31.455 1.00 27.93 ? 91 TYR L C 1 ATOM 5124 O O . TYR C 3 89 ? -11.043 7.898 -32.225 1.00 29.38 ? 91 TYR L O 1 ATOM 5125 C CB . TYR C 3 89 ? -11.938 4.837 -30.398 1.00 32.87 ? 91 TYR L CB 1 ATOM 5126 C CG . TYR C 3 89 ? -13.167 4.025 -30.038 1.00 33.81 ? 91 TYR L CG 1 ATOM 5127 C CD1 . TYR C 3 89 ? -14.384 4.648 -29.778 1.00 39.27 ? 91 TYR L CD1 1 ATOM 5128 C CD2 . TYR C 3 89 ? -13.112 2.635 -29.960 1.00 45.84 ? 91 TYR L CD2 1 ATOM 5129 C CE1 . TYR C 3 89 ? -15.513 3.910 -29.445 1.00 37.38 ? 91 TYR L CE1 1 ATOM 5130 C CE2 . TYR C 3 89 ? -14.237 1.889 -29.631 1.00 40.66 ? 91 TYR L CE2 1 ATOM 5131 C CZ . TYR C 3 89 ? -15.434 2.532 -29.376 1.00 38.26 ? 91 TYR L CZ 1 ATOM 5132 O OH . TYR C 3 89 ? -16.554 1.799 -29.050 1.00 47.62 ? 91 TYR L OH 1 ATOM 5133 N N . GLU C 3 90 ? -9.933 6.624 -30.746 1.00 34.55 ? 96 GLU L N 1 ATOM 5134 C CA . GLU C 3 90 ? -8.739 7.467 -30.771 1.00 34.75 ? 96 GLU L CA 1 ATOM 5135 C C . GLU C 3 90 ? -7.805 7.151 -31.937 1.00 40.04 ? 96 GLU L C 1 ATOM 5136 O O . GLU C 3 90 ? -6.748 7.769 -32.078 1.00 38.87 ? 96 GLU L O 1 ATOM 5137 C CB . GLU C 3 90 ? -7.966 7.336 -29.457 1.00 35.59 ? 96 GLU L CB 1 ATOM 5138 C CG . GLU C 3 90 ? -7.240 6.009 -29.270 1.00 34.68 ? 96 GLU L CG 1 ATOM 5139 C CD . GLU C 3 90 ? -7.938 5.093 -28.280 1.00 33.51 ? 96 GLU L CD 1 ATOM 5140 O OE1 . GLU C 3 90 ? -9.179 4.967 -28.358 1.00 36.03 ? 96 GLU L OE1 1 ATOM 5141 O OE2 . GLU C 3 90 ? -7.249 4.508 -27.418 1.00 37.70 ? 96 GLU L OE2 1 ATOM 5142 N N . PHE C 3 91 ? -8.193 6.195 -32.774 1.00 31.40 ? 97 PHE L N 1 ATOM 5143 C CA . PHE C 3 91 ? -7.316 5.729 -33.846 1.00 31.42 ? 97 PHE L CA 1 ATOM 5144 C C . PHE C 3 91 ? -7.698 6.317 -35.201 1.00 28.69 ? 97 PHE L C 1 ATOM 5145 O O . PHE C 3 91 ? -8.880 6.448 -35.521 1.00 30.76 ? 97 PHE L O 1 ATOM 5146 C CB . PHE C 3 91 ? -7.329 4.200 -33.899 1.00 29.96 ? 97 PHE L CB 1 ATOM 5147 C CG . PHE C 3 91 ? -7.000 3.554 -32.581 1.00 41.05 ? 97 PHE L CG 1 ATOM 5148 C CD1 . PHE C 3 91 ? -5.683 3.355 -32.201 1.00 42.41 ? 97 PHE L CD1 1 ATOM 5149 C CD2 . PHE C 3 91 ? -8.009 3.165 -31.712 1.00 39.17 ? 97 PHE L CD2 1 ATOM 5150 C CE1 . PHE C 3 91 ? -5.377 2.769 -30.983 1.00 48.48 ? 97 PHE L CE1 1 ATOM 5151 C CE2 . PHE C 3 91 ? -7.711 2.578 -30.493 1.00 46.44 ? 97 PHE L CE2 1 ATOM 5152 C CZ . PHE C 3 91 ? -6.393 2.382 -30.127 1.00 43.36 ? 97 PHE L CZ 1 ATOM 5153 N N . PHE C 3 92 ? -6.687 6.679 -35.988 1.00 37.61 ? 98 PHE L N 1 ATOM 5154 C CA . PHE C 3 92 ? -6.893 7.244 -37.322 1.00 32.77 ? 98 PHE L CA 1 ATOM 5155 C C . PHE C 3 92 ? -6.129 6.456 -38.380 1.00 36.90 ? 98 PHE L C 1 ATOM 5156 O O . PHE C 3 92 ? -5.071 5.895 -38.097 1.00 33.27 ? 98 PHE L O 1 ATOM 5157 C CB . PHE C 3 92 ? -6.444 8.708 -37.375 1.00 35.12 ? 98 PHE L CB 1 ATOM 5158 C CG . PHE C 3 92 ? -7.294 9.646 -36.562 1.00 39.29 ? 98 PHE L CG 1 ATOM 5159 C CD1 . PHE C 3 92 ? -7.129 9.743 -35.188 1.00 47.12 ? 98 PHE L CD1 1 ATOM 5160 C CD2 . PHE C 3 92 ? -8.239 10.451 -37.177 1.00 27.03 ? 98 PHE L CD2 1 ATOM 5161 C CE1 . PHE C 3 92 ? -7.904 10.614 -34.439 1.00 38.87 ? 98 PHE L CE1 1 ATOM 5162 C CE2 . PHE C 3 92 ? -9.015 11.326 -36.436 1.00 40.00 ? 98 PHE L CE2 1 ATOM 5163 C CZ . PHE C 3 92 ? -8.847 11.408 -35.065 1.00 38.93 ? 98 PHE L CZ 1 ATOM 5164 N N . GLY C 3 93 ? -6.660 6.432 -39.600 1.00 30.81 ? 99 GLY L N 1 ATOM 5165 C CA . GLY C 3 93 ? -5.947 5.862 -40.730 1.00 35.84 ? 99 GLY L CA 1 ATOM 5166 C C . GLY C 3 93 ? -4.804 6.762 -41.178 1.00 39.93 ? 99 GLY L C 1 ATOM 5167 O O . GLY C 3 93 ? -4.666 7.885 -40.691 1.00 36.59 ? 99 GLY L O 1 ATOM 5168 N N . GLN C 3 94 ? -3.987 6.267 -42.106 1.00 33.77 ? 100 GLN L N 1 ATOM 5169 C CA . GLN C 3 94 ? -2.814 6.997 -42.590 1.00 42.31 ? 100 GLN L CA 1 ATOM 5170 C C . GLN C 3 94 ? -3.192 8.191 -43.465 1.00 46.87 ? 100 GLN L C 1 ATOM 5171 O O . GLN C 3 94 ? -2.384 9.100 -43.675 1.00 42.50 ? 100 GLN L O 1 ATOM 5172 C CB . GLN C 3 94 ? -1.888 6.070 -43.387 1.00 49.39 ? 100 GLN L CB 1 ATOM 5173 C CG . GLN C 3 94 ? -1.345 4.880 -42.615 1.00 64.69 ? 100 GLN L CG 1 ATOM 5174 C CD . GLN C 3 94 ? -2.217 3.643 -42.744 1.00 71.27 ? 100 GLN L CD 1 ATOM 5175 O OE1 . GLN C 3 94 ? -3.446 3.732 -42.799 1.00 54.19 ? 100 GLN L OE1 1 ATOM 5176 N NE2 . GLN C 3 94 ? -1.580 2.477 -42.799 1.00 78.35 ? 100 GLN L NE2 1 ATOM 5177 N N . GLY C 3 95 ? -4.410 8.174 -43.993 1.00 36.18 ? 101 GLY L N 1 ATOM 5178 C CA . GLY C 3 95 ? -4.871 9.248 -44.849 1.00 34.58 ? 101 GLY L CA 1 ATOM 5179 C C . GLY C 3 95 ? -4.776 8.944 -46.332 1.00 38.15 ? 101 GLY L C 1 ATOM 5180 O O . GLY C 3 95 ? -3.903 8.194 -46.774 1.00 39.02 ? 101 GLY L O 1 ATOM 5181 N N . THR C 3 96 ? -5.689 9.534 -47.097 1.00 32.38 ? 102 THR L N 1 ATOM 5182 C CA . THR C 3 96 ? -5.686 9.427 -48.551 1.00 30.06 ? 102 THR L CA 1 ATOM 5183 C C . THR C 3 96 ? -5.661 10.815 -49.173 1.00 33.57 ? 102 THR L C 1 ATOM 5184 O O . THR C 3 96 ? -6.597 11.592 -48.997 1.00 35.92 ? 102 THR L O 1 ATOM 5185 C CB . THR C 3 96 ? -6.920 8.678 -49.076 1.00 27.72 ? 102 THR L CB 1 ATOM 5186 O OG1 . THR C 3 96 ? -6.863 7.309 -48.661 1.00 32.62 ? 102 THR L OG1 1 ATOM 5187 C CG2 . THR C 3 96 ? -6.982 8.748 -50.613 1.00 28.62 ? 102 THR L CG2 1 ATOM 5188 N N . LYS C 3 97 ? -4.594 11.130 -49.895 1.00 34.76 ? 103 LYS L N 1 ATOM 5189 C CA . LYS C 3 97 ? -4.502 12.431 -50.541 1.00 31.93 ? 103 LYS L CA 1 ATOM 5190 C C . LYS C 3 97 ? -5.206 12.407 -51.889 1.00 36.56 ? 103 LYS L C 1 ATOM 5191 O O . LYS C 3 97 ? -4.832 11.650 -52.786 1.00 40.02 ? 103 LYS L O 1 ATOM 5192 C CB . LYS C 3 97 ? -3.045 12.860 -50.714 1.00 36.13 ? 103 LYS L CB 1 ATOM 5193 C CG . LYS C 3 97 ? -2.898 14.267 -51.277 1.00 43.78 ? 103 LYS L CG 1 ATOM 5194 C CD . LYS C 3 97 ? -1.443 14.665 -51.455 1.00 51.63 ? 103 LYS L CD 1 ATOM 5195 C CE . LYS C 3 97 ? -1.334 16.071 -52.021 1.00 63.79 ? 103 LYS L CE 1 ATOM 5196 N NZ . LYS C 3 97 ? 0.077 16.453 -52.303 1.00 69.25 ? 103 LYS L NZ 1 ATOM 5197 N N . VAL C 3 98 ? -6.243 13.226 -52.015 1.00 33.79 ? 104 VAL L N 1 ATOM 5198 C CA . VAL C 3 98 ? -6.949 13.380 -53.278 1.00 37.57 ? 104 VAL L CA 1 ATOM 5199 C C . VAL C 3 98 ? -6.522 14.690 -53.925 1.00 44.54 ? 104 VAL L C 1 ATOM 5200 O O . VAL C 3 98 ? -6.804 15.772 -53.404 1.00 44.28 ? 104 VAL L O 1 ATOM 5201 C CB . VAL C 3 98 ? -8.475 13.366 -53.085 1.00 38.99 ? 104 VAL L CB 1 ATOM 5202 C CG1 . VAL C 3 98 ? -9.179 13.431 -54.436 1.00 30.26 ? 104 VAL L CG1 1 ATOM 5203 C CG2 . VAL C 3 98 ? -8.901 12.124 -52.307 1.00 34.25 ? 104 VAL L CG2 1 ATOM 5204 N N . GLN C 3 99 ? -5.827 14.590 -55.052 1.00 38.91 ? 105 GLN L N 1 ATOM 5205 C CA . GLN C 3 99 ? -5.268 15.770 -55.702 1.00 40.59 ? 105 GLN L CA 1 ATOM 5206 C C . GLN C 3 99 ? -5.758 15.905 -57.140 1.00 39.30 ? 105 GLN L C 1 ATOM 5207 O O . GLN C 3 99 ? -6.113 14.915 -57.779 1.00 36.56 ? 105 GLN L O 1 ATOM 5208 C CB . GLN C 3 99 ? -3.739 15.717 -55.666 1.00 40.62 ? 105 GLN L CB 1 ATOM 5209 C CG . GLN C 3 99 ? -3.156 14.453 -56.268 1.00 43.86 ? 105 GLN L CG 1 ATOM 5210 C CD . GLN C 3 99 ? -1.644 14.420 -56.204 1.00 49.65 ? 105 GLN L CD 1 ATOM 5211 O OE1 . GLN C 3 99 ? -1.026 15.194 -55.473 1.00 59.74 ? 105 GLN L OE1 1 ATOM 5212 N NE2 . GLN C 3 99 ? -1.037 13.524 -56.976 1.00 48.47 ? 105 GLN L NE2 1 ATOM 5213 N N . VAL C 3 100 ? -5.772 17.135 -57.643 1.00 33.15 ? 106 VAL L N 1 ATOM 5214 C CA . VAL C 3 100 ? -6.285 17.403 -58.979 1.00 36.81 ? 106 VAL L CA 1 ATOM 5215 C C . VAL C 3 100 ? -5.313 16.908 -60.053 1.00 39.52 ? 106 VAL L C 1 ATOM 5216 O O . VAL C 3 100 ? -4.104 17.141 -59.982 1.00 43.35 ? 106 VAL L O 1 ATOM 5217 C CB . VAL C 3 100 ? -6.580 18.915 -59.181 1.00 47.50 ? 106 VAL L CB 1 ATOM 5218 C CG1 . VAL C 3 100 ? -5.346 19.760 -58.899 1.00 60.30 ? 106 VAL L CG1 1 ATOM 5219 C CG2 . VAL C 3 100 ? -7.107 19.179 -60.586 1.00 49.39 ? 106 VAL L CG2 1 ATOM 5220 N N . ASP C 3 101 ? -5.856 16.198 -61.034 1.00 36.94 ? 107 ASP L N 1 ATOM 5221 C CA . ASP C 3 101 ? -5.075 15.704 -62.160 1.00 38.30 ? 107 ASP L CA 1 ATOM 5222 C C . ASP C 3 101 ? -5.702 16.181 -63.461 1.00 40.72 ? 107 ASP L C 1 ATOM 5223 O O . ASP C 3 101 ? -6.911 16.056 -63.660 1.00 42.97 ? 107 ASP L O 1 ATOM 5224 C CB . ASP C 3 101 ? -4.987 14.173 -62.135 1.00 41.13 ? 107 ASP L CB 1 ATOM 5225 C CG . ASP C 3 101 ? -4.249 13.603 -63.340 1.00 44.93 ? 107 ASP L CG 1 ATOM 5226 O OD1 . ASP C 3 101 ? -3.008 13.460 -63.273 1.00 43.56 ? 107 ASP L OD1 1 ATOM 5227 O OD2 . ASP C 3 101 ? -4.911 13.286 -64.352 1.00 39.12 ? 107 ASP L OD2 1 ATOM 5228 N N . ILE C 3 102 ? -4.879 16.739 -64.339 1.00 37.46 ? 108 ILE L N 1 ATOM 5229 C CA . ILE C 3 102 ? -5.339 17.153 -65.657 1.00 35.02 ? 108 ILE L CA 1 ATOM 5230 C C . ILE C 3 102 ? -5.090 16.021 -66.647 1.00 42.31 ? 108 ILE L C 1 ATOM 5231 O O . ILE C 3 102 ? -3.986 15.480 -66.727 1.00 42.65 ? 108 ILE L O 1 ATOM 5232 C CB . ILE C 3 102 ? -4.645 18.445 -66.108 1.00 40.85 ? 108 ILE L CB 1 ATOM 5233 C CG1 . ILE C 3 102 ? -5.074 19.598 -65.194 1.00 47.84 ? 108 ILE L CG1 1 ATOM 5234 C CG2 . ILE C 3 102 ? -4.970 18.756 -67.570 1.00 43.72 ? 108 ILE L CG2 1 ATOM 5235 C CD1 . ILE C 3 102 ? -4.066 20.719 -65.092 1.00 62.33 ? 108 ILE L CD1 1 ATOM 5236 N N . LYS C 3 103 ? -6.134 15.654 -67.383 1.00 35.22 ? 109 LYS L N 1 ATOM 5237 C CA . LYS C 3 103 ? -6.092 14.487 -68.252 1.00 48.34 ? 109 LYS L CA 1 ATOM 5238 C C . LYS C 3 103 ? -5.302 14.754 -69.534 1.00 43.48 ? 109 LYS L C 1 ATOM 5239 O O . LYS C 3 103 ? -5.347 15.855 -70.084 1.00 45.69 ? 109 LYS L O 1 ATOM 5240 C CB . LYS C 3 103 ? -7.516 14.043 -68.597 1.00 61.43 ? 109 LYS L CB 1 ATOM 5241 C CG . LYS C 3 103 ? -7.632 12.595 -69.034 1.00 74.60 ? 109 LYS L CG 1 ATOM 5242 C CD . LYS C 3 103 ? -7.677 11.665 -67.835 1.00 75.09 ? 109 LYS L CD 1 ATOM 5243 C CE . LYS C 3 103 ? -8.941 11.882 -67.020 1.00 67.76 ? 109 LYS L CE 1 ATOM 5244 N NZ . LYS C 3 103 ? -9.013 10.955 -65.855 1.00 56.26 ? 109 LYS L NZ 1 ATOM 5245 N N . ARG C 3 104 ? -4.577 13.738 -69.995 1.00 44.23 ? 110 ARG L N 1 ATOM 5246 C CA . ARG C 3 104 ? -3.854 13.790 -71.265 1.00 44.56 ? 110 ARG L CA 1 ATOM 5247 C C . ARG C 3 104 ? -3.606 12.370 -71.758 1.00 48.02 ? 110 ARG L C 1 ATOM 5248 O O . ARG C 3 104 ? -3.941 11.407 -71.068 1.00 48.24 ? 110 ARG L O 1 ATOM 5249 C CB . ARG C 3 104 ? -2.527 14.540 -71.120 1.00 42.41 ? 110 ARG L CB 1 ATOM 5250 C CG . ARG C 3 104 ? -1.570 13.922 -70.099 1.00 42.30 ? 110 ARG L CG 1 ATOM 5251 C CD . ARG C 3 104 ? -0.118 14.104 -70.526 1.00 44.65 ? 110 ARG L CD 1 ATOM 5252 N NE . ARG C 3 104 ? 0.157 13.430 -71.794 1.00 46.18 ? 110 ARG L NE 1 ATOM 5253 C CZ . ARG C 3 104 ? 1.094 13.805 -72.661 1.00 43.35 ? 110 ARG L CZ 1 ATOM 5254 N NH1 . ARG C 3 104 ? 1.854 14.863 -72.411 1.00 41.60 ? 110 ARG L NH1 1 ATOM 5255 N NH2 . ARG C 3 104 ? 1.266 13.126 -73.786 1.00 43.33 ? 110 ARG L NH2 1 ATOM 5256 N N . THR C 3 105 ? -3.017 12.234 -72.943 1.00 47.74 ? 111 THR L N 1 ATOM 5257 C CA . THR C 3 105 ? -2.708 10.909 -73.480 1.00 48.97 ? 111 THR L CA 1 ATOM 5258 C C . THR C 3 105 ? -1.649 10.207 -72.631 1.00 46.53 ? 111 THR L C 1 ATOM 5259 O O . THR C 3 105 ? -0.843 10.855 -71.958 1.00 40.18 ? 111 THR L O 1 ATOM 5260 C CB . THR C 3 105 ? -2.210 10.975 -74.936 1.00 42.71 ? 111 THR L CB 1 ATOM 5261 O OG1 . THR C 3 105 ? -1.020 11.769 -74.999 1.00 54.56 ? 111 THR L OG1 1 ATOM 5262 C CG2 . THR C 3 105 ? -3.276 11.573 -75.849 1.00 43.43 ? 111 THR L CG2 1 ATOM 5263 N N . VAL C 3 106 ? -1.655 8.880 -72.663 1.00 47.68 ? 112 VAL L N 1 ATOM 5264 C CA . VAL C 3 106 ? -0.673 8.104 -71.916 1.00 45.71 ? 112 VAL L CA 1 ATOM 5265 C C . VAL C 3 106 ? 0.717 8.355 -72.492 1.00 42.83 ? 112 VAL L C 1 ATOM 5266 O O . VAL C 3 106 ? 0.895 8.412 -73.708 1.00 40.05 ? 112 VAL L O 1 ATOM 5267 C CB . VAL C 3 106 ? -1.001 6.596 -71.943 1.00 48.12 ? 112 VAL L CB 1 ATOM 5268 C CG1 . VAL C 3 106 ? 0.109 5.788 -71.289 1.00 45.06 ? 112 VAL L CG1 1 ATOM 5269 C CG2 . VAL C 3 106 ? -2.330 6.330 -71.242 1.00 41.83 ? 112 VAL L CG2 1 ATOM 5270 N N . ALA C 3 107 ? 1.694 8.536 -71.610 1.00 37.33 ? 113 ALA L N 1 ATOM 5271 C CA . ALA C 3 107 ? 3.073 8.741 -72.028 1.00 38.80 ? 113 ALA L CA 1 ATOM 5272 C C . ALA C 3 107 ? 4.009 7.923 -71.149 1.00 40.64 ? 113 ALA L C 1 ATOM 5273 O O . ALA C 3 107 ? 4.030 8.089 -69.931 1.00 43.13 ? 113 ALA L O 1 ATOM 5274 C CB . ALA C 3 107 ? 3.438 10.221 -71.969 1.00 41.66 ? 113 ALA L CB 1 ATOM 5275 N N . ALA C 3 108 ? 4.773 7.033 -71.770 1.00 34.20 ? 114 ALA L N 1 ATOM 5276 C CA . ALA C 3 108 ? 5.719 6.199 -71.040 1.00 35.91 ? 114 ALA L CA 1 ATOM 5277 C C . ALA C 3 108 ? 6.880 7.043 -70.531 1.00 36.20 ? 114 ALA L C 1 ATOM 5278 O O . ALA C 3 108 ? 7.262 8.022 -71.164 1.00 34.41 ? 114 ALA L O 1 ATOM 5279 C CB . ALA C 3 108 ? 6.227 5.068 -71.927 1.00 40.25 ? 114 ALA L CB 1 ATOM 5280 N N . PRO C 3 109 ? 7.446 6.671 -69.376 1.00 36.56 ? 115 PRO L N 1 ATOM 5281 C CA . PRO C 3 109 ? 8.576 7.453 -68.870 1.00 39.17 ? 115 PRO L CA 1 ATOM 5282 C C . PRO C 3 109 ? 9.862 7.155 -69.626 1.00 43.02 ? 115 PRO L C 1 ATOM 5283 O O . PRO C 3 109 ? 10.059 6.026 -70.067 1.00 35.92 ? 115 PRO L O 1 ATOM 5284 C CB . PRO C 3 109 ? 8.688 6.999 -67.411 1.00 37.25 ? 115 PRO L CB 1 ATOM 5285 C CG . PRO C 3 109 ? 8.156 5.601 -67.422 1.00 38.82 ? 115 PRO L CG 1 ATOM 5286 C CD . PRO C 3 109 ? 7.056 5.589 -68.452 1.00 34.68 ? 115 PRO L CD 1 ATOM 5287 N N . SER C 3 110 ? 10.715 8.160 -69.789 1.00 44.81 ? 116 SER L N 1 ATOM 5288 C CA . SER C 3 110 ? 12.089 7.912 -70.202 1.00 43.92 ? 116 SER L CA 1 ATOM 5289 C C . SER C 3 110 ? 12.904 7.628 -68.945 1.00 41.27 ? 116 SER L C 1 ATOM 5290 O O . SER C 3 110 ? 12.894 8.417 -68.000 1.00 43.58 ? 116 SER L O 1 ATOM 5291 C CB . SER C 3 110 ? 12.664 9.097 -70.973 1.00 35.68 ? 116 SER L CB 1 ATOM 5292 O OG . SER C 3 110 ? 11.977 9.284 -72.197 1.00 55.74 ? 116 SER L OG 1 ATOM 5293 N N . VAL C 3 111 ? 13.597 6.496 -68.927 1.00 41.20 ? 117 VAL L N 1 ATOM 5294 C CA . VAL C 3 111 ? 14.257 6.040 -67.712 1.00 39.75 ? 117 VAL L CA 1 ATOM 5295 C C . VAL C 3 111 ? 15.773 6.176 -67.790 1.00 41.96 ? 117 VAL L C 1 ATOM 5296 O O . VAL C 3 111 ? 16.403 5.728 -68.745 1.00 41.14 ? 117 VAL L O 1 ATOM 5297 C CB . VAL C 3 111 ? 13.895 4.576 -67.406 1.00 39.35 ? 117 VAL L CB 1 ATOM 5298 C CG1 . VAL C 3 111 ? 14.391 4.186 -66.020 1.00 34.47 ? 117 VAL L CG1 1 ATOM 5299 C CG2 . VAL C 3 111 ? 12.390 4.381 -67.513 1.00 32.71 ? 117 VAL L CG2 1 ATOM 5300 N N . PHE C 3 112 ? 16.350 6.800 -66.770 1.00 39.45 ? 118 PHE L N 1 ATOM 5301 C CA . PHE C 3 112 ? 17.792 6.985 -66.693 1.00 37.91 ? 118 PHE L CA 1 ATOM 5302 C C . PHE C 3 112 ? 18.297 6.532 -65.331 1.00 44.33 ? 118 PHE L C 1 ATOM 5303 O O . PHE C 3 112 ? 17.636 6.747 -64.316 1.00 41.13 ? 118 PHE L O 1 ATOM 5304 C CB . PHE C 3 112 ? 18.168 8.449 -66.924 1.00 38.61 ? 118 PHE L CB 1 ATOM 5305 C CG . PHE C 3 112 ? 17.613 9.031 -68.195 1.00 46.39 ? 118 PHE L CG 1 ATOM 5306 C CD1 . PHE C 3 112 ? 16.355 9.613 -68.216 1.00 41.27 ? 118 PHE L CD1 1 ATOM 5307 C CD2 . PHE C 3 112 ? 18.356 9.011 -69.364 1.00 46.93 ? 118 PHE L CD2 1 ATOM 5308 C CE1 . PHE C 3 112 ? 15.844 10.156 -69.382 1.00 47.59 ? 118 PHE L CE1 1 ATOM 5309 C CE2 . PHE C 3 112 ? 17.853 9.553 -70.532 1.00 53.11 ? 118 PHE L CE2 1 ATOM 5310 C CZ . PHE C 3 112 ? 16.594 10.127 -70.541 1.00 46.48 ? 118 PHE L CZ 1 ATOM 5311 N N . ILE C 3 113 ? 19.468 5.908 -65.305 1.00 44.22 ? 119 ILE L N 1 ATOM 5312 C CA . ILE C 3 113 ? 20.066 5.512 -64.038 1.00 43.78 ? 119 ILE L CA 1 ATOM 5313 C C . ILE C 3 113 ? 21.431 6.177 -63.879 1.00 38.09 ? 119 ILE L C 1 ATOM 5314 O O . ILE C 3 113 ? 22.203 6.278 -64.832 1.00 40.74 ? 119 ILE L O 1 ATOM 5315 C CB . ILE C 3 113 ? 20.181 3.968 -63.917 1.00 38.81 ? 119 ILE L CB 1 ATOM 5316 C CG1 . ILE C 3 113 ? 20.614 3.566 -62.503 1.00 43.82 ? 119 ILE L CG1 1 ATOM 5317 C CG2 . ILE C 3 113 ? 21.117 3.390 -64.976 1.00 40.91 ? 119 ILE L CG2 1 ATOM 5318 C CD1 . ILE C 3 113 ? 20.547 2.069 -62.247 1.00 41.95 ? 119 ILE L CD1 1 ATOM 5319 N N . PHE C 3 114 ? 21.709 6.661 -62.673 1.00 39.46 ? 120 PHE L N 1 ATOM 5320 C CA . PHE C 3 114 ? 22.967 7.343 -62.395 1.00 42.78 ? 120 PHE L CA 1 ATOM 5321 C C . PHE C 3 114 ? 23.744 6.642 -61.288 1.00 47.30 ? 120 PHE L C 1 ATOM 5322 O O . PHE C 3 114 ? 23.285 6.579 -60.148 1.00 53.63 ? 120 PHE L O 1 ATOM 5323 C CB . PHE C 3 114 ? 22.719 8.801 -62.001 1.00 36.74 ? 120 PHE L CB 1 ATOM 5324 C CG . PHE C 3 114 ? 22.095 9.630 -63.084 1.00 38.40 ? 120 PHE L CG 1 ATOM 5325 C CD1 . PHE C 3 114 ? 22.882 10.245 -64.044 1.00 41.65 ? 120 PHE L CD1 1 ATOM 5326 C CD2 . PHE C 3 114 ? 20.724 9.809 -63.135 1.00 41.74 ? 120 PHE L CD2 1 ATOM 5327 C CE1 . PHE C 3 114 ? 22.311 11.015 -65.043 1.00 40.40 ? 120 PHE L CE1 1 ATOM 5328 C CE2 . PHE C 3 114 ? 20.146 10.579 -64.128 1.00 41.10 ? 120 PHE L CE2 1 ATOM 5329 C CZ . PHE C 3 114 ? 20.942 11.183 -65.084 1.00 39.59 ? 120 PHE L CZ 1 ATOM 5330 N N . PRO C 3 115 ? 24.929 6.115 -61.623 1.00 46.87 ? 121 PRO L N 1 ATOM 5331 C CA . PRO C 3 115 ? 25.830 5.525 -60.629 1.00 45.88 ? 121 PRO L CA 1 ATOM 5332 C C . PRO C 3 115 ? 26.350 6.585 -59.663 1.00 52.68 ? 121 PRO L C 1 ATOM 5333 O O . PRO C 3 115 ? 26.275 7.771 -59.982 1.00 48.42 ? 121 PRO L O 1 ATOM 5334 C CB . PRO C 3 115 ? 26.965 4.947 -61.483 1.00 52.59 ? 121 PRO L CB 1 ATOM 5335 C CG . PRO C 3 115 ? 26.932 5.740 -62.743 1.00 57.47 ? 121 PRO L CG 1 ATOM 5336 C CD . PRO C 3 115 ? 25.486 6.046 -62.985 1.00 53.04 ? 121 PRO L CD 1 ATOM 5337 N N . PRO C 3 116 ? 26.853 6.168 -58.490 1.00 47.27 ? 122 PRO L N 1 ATOM 5338 C CA . PRO C 3 116 ? 27.448 7.122 -57.550 1.00 46.83 ? 122 PRO L CA 1 ATOM 5339 C C . PRO C 3 116 ? 28.621 7.860 -58.182 1.00 50.74 ? 122 PRO L C 1 ATOM 5340 O O . PRO C 3 116 ? 29.364 7.264 -58.962 1.00 50.60 ? 122 PRO L O 1 ATOM 5341 C CB . PRO C 3 116 ? 27.927 6.236 -56.395 1.00 49.36 ? 122 PRO L CB 1 ATOM 5342 C CG . PRO C 3 116 ? 27.134 4.980 -56.510 1.00 43.68 ? 122 PRO L CG 1 ATOM 5343 C CD . PRO C 3 116 ? 26.880 4.789 -57.972 1.00 47.61 ? 122 PRO L CD 1 ATOM 5344 N N . SER C 3 117 ? 28.780 9.139 -57.861 1.00 49.22 ? 123 SER L N 1 ATOM 5345 C CA . SER C 3 117 ? 29.934 9.887 -58.336 1.00 52.26 ? 123 SER L CA 1 ATOM 5346 C C . SER C 3 117 ? 31.168 9.467 -57.549 1.00 58.92 ? 123 SER L C 1 ATOM 5347 O O . SER C 3 117 ? 31.063 9.048 -56.396 1.00 53.56 ? 123 SER L O 1 ATOM 5348 C CB . SER C 3 117 ? 29.704 11.393 -58.206 1.00 48.42 ? 123 SER L CB 1 ATOM 5349 O OG . SER C 3 117 ? 29.682 11.786 -56.846 1.00 49.63 ? 123 SER L OG 1 ATOM 5350 N N . ASP C 3 118 ? 32.335 9.575 -58.175 1.00 68.13 ? 124 ASP L N 1 ATOM 5351 C CA . ASP C 3 118 ? 33.586 9.233 -57.512 1.00 69.26 ? 124 ASP L CA 1 ATOM 5352 C C . ASP C 3 118 ? 33.833 10.161 -56.332 1.00 64.81 ? 124 ASP L C 1 ATOM 5353 O O . ASP C 3 118 ? 34.461 9.775 -55.348 1.00 68.70 ? 124 ASP L O 1 ATOM 5354 C CB . ASP C 3 118 ? 34.756 9.302 -58.495 1.00 80.30 ? 124 ASP L CB 1 ATOM 5355 C CG . ASP C 3 118 ? 34.604 8.332 -59.650 1.00 89.39 ? 124 ASP L CG 1 ATOM 5356 O OD1 . ASP C 3 118 ? 34.050 7.233 -59.435 1.00 80.56 ? 124 ASP L OD1 1 ATOM 5357 O OD2 . ASP C 3 118 ? 35.035 8.669 -60.773 1.00 101.17 ? 124 ASP L OD2 1 ATOM 5358 N N . GLU C 3 119 ? 33.327 11.386 -56.436 1.00 59.49 ? 125 GLU L N 1 ATOM 5359 C CA . GLU C 3 119 ? 33.474 12.366 -55.369 1.00 57.27 ? 125 GLU L CA 1 ATOM 5360 C C . GLU C 3 119 ? 32.719 11.928 -54.116 1.00 54.98 ? 125 GLU L C 1 ATOM 5361 O O . GLU C 3 119 ? 33.232 12.049 -53.006 1.00 62.70 ? 125 GLU L O 1 ATOM 5362 C CB . GLU C 3 119 ? 32.984 13.742 -55.828 1.00 62.34 ? 125 GLU L CB 1 ATOM 5363 C CG . GLU C 3 119 ? 33.260 14.855 -54.827 1.00 76.30 ? 125 GLU L CG 1 ATOM 5364 C CD . GLU C 3 119 ? 32.719 16.200 -55.276 1.00 77.03 ? 125 GLU L CD 1 ATOM 5365 O OE1 . GLU C 3 119 ? 32.882 17.186 -54.526 1.00 76.57 ? 125 GLU L OE1 1 ATOM 5366 O OE2 . GLU C 3 119 ? 32.132 16.272 -56.377 1.00 78.82 ? 125 GLU L OE2 1 ATOM 5367 N N . GLN C 3 120 ? 31.505 11.412 -54.296 1.00 51.80 ? 126 GLN L N 1 ATOM 5368 C CA . GLN C 3 120 ? 30.710 10.951 -53.160 1.00 52.15 ? 126 GLN L CA 1 ATOM 5369 C C . GLN C 3 120 ? 31.298 9.692 -52.534 1.00 58.93 ? 126 GLN L C 1 ATOM 5370 O O . GLN C 3 120 ? 31.275 9.531 -51.313 1.00 61.73 ? 126 GLN L O 1 ATOM 5371 C CB . GLN C 3 120 ? 29.260 10.681 -53.570 1.00 47.18 ? 126 GLN L CB 1 ATOM 5372 C CG . GLN C 3 120 ? 28.390 10.258 -52.391 1.00 48.12 ? 126 GLN L CG 1 ATOM 5373 C CD . GLN C 3 120 ? 27.006 9.792 -52.793 1.00 49.39 ? 126 GLN L CD 1 ATOM 5374 O OE1 . GLN C 3 120 ? 26.811 9.221 -53.868 1.00 44.59 ? 126 GLN L OE1 1 ATOM 5375 N NE2 . GLN C 3 120 ? 26.032 10.030 -51.922 1.00 43.17 ? 126 GLN L NE2 1 ATOM 5376 N N . LEU C 3 121 ? 31.824 8.803 -53.371 1.00 53.16 ? 127 LEU L N 1 ATOM 5377 C CA . LEU C 3 121 ? 32.390 7.543 -52.895 1.00 59.63 ? 127 LEU L CA 1 ATOM 5378 C C . LEU C 3 121 ? 33.595 7.773 -51.985 1.00 64.82 ? 127 LEU L C 1 ATOM 5379 O O . LEU C 3 121 ? 33.967 6.901 -51.202 1.00 70.67 ? 127 LEU L O 1 ATOM 5380 C CB . LEU C 3 121 ? 32.781 6.651 -54.075 1.00 61.08 ? 127 LEU L CB 1 ATOM 5381 C CG . LEU C 3 121 ? 31.624 5.994 -54.831 1.00 58.48 ? 127 LEU L CG 1 ATOM 5382 C CD1 . LEU C 3 121 ? 32.136 5.235 -56.044 1.00 52.71 ? 127 LEU L CD1 1 ATOM 5383 C CD2 . LEU C 3 121 ? 30.843 5.066 -53.912 1.00 59.49 ? 127 LEU L CD2 1 ATOM 5384 N N . LYS C 3 122 ? 34.198 8.952 -52.087 1.00 71.65 ? 128 LYS L N 1 ATOM 5385 C CA . LYS C 3 122 ? 35.285 9.326 -51.193 1.00 80.45 ? 128 LYS L CA 1 ATOM 5386 C C . LYS C 3 122 ? 34.764 9.598 -49.783 1.00 81.44 ? 128 LYS L C 1 ATOM 5387 O O . LYS C 3 122 ? 35.534 9.625 -48.824 1.00 88.99 ? 128 LYS L O 1 ATOM 5388 C CB . LYS C 3 122 ? 36.022 10.559 -51.723 1.00 82.66 ? 128 LYS L CB 1 ATOM 5389 C CG . LYS C 3 122 ? 36.724 10.354 -53.056 1.00 83.76 ? 128 LYS L CG 1 ATOM 5390 C CD . LYS C 3 122 ? 37.388 11.641 -53.526 1.00 91.10 ? 128 LYS L CD 1 ATOM 5391 C CE . LYS C 3 122 ? 38.135 11.439 -54.836 1.00 99.32 ? 128 LYS L CE 1 ATOM 5392 N NZ . LYS C 3 122 ? 39.270 10.485 -54.692 1.00 105.56 ? 128 LYS L NZ 1 ATOM 5393 N N . SER C 3 123 ? 33.453 9.794 -49.663 1.00 77.19 ? 129 SER L N 1 ATOM 5394 C CA . SER C 3 123 ? 32.844 10.181 -48.393 1.00 76.83 ? 129 SER L CA 1 ATOM 5395 C C . SER C 3 123 ? 32.356 8.986 -47.579 1.00 70.31 ? 129 SER L C 1 ATOM 5396 O O . SER C 3 123 ? 32.041 9.123 -46.398 1.00 76.80 ? 129 SER L O 1 ATOM 5397 C CB . SER C 3 123 ? 31.680 11.145 -48.635 1.00 84.19 ? 129 SER L CB 1 ATOM 5398 O OG . SER C 3 123 ? 32.096 12.264 -49.397 1.00 94.12 ? 129 SER L OG 1 ATOM 5399 N N . GLY C 3 124 ? 32.281 7.819 -48.210 1.00 63.54 ? 130 GLY L N 1 ATOM 5400 C CA . GLY C 3 124 ? 31.909 6.606 -47.504 1.00 68.33 ? 130 GLY L CA 1 ATOM 5401 C C . GLY C 3 124 ? 30.500 6.112 -47.773 1.00 67.77 ? 130 GLY L C 1 ATOM 5402 O O . GLY C 3 124 ? 30.106 5.047 -47.296 1.00 58.71 ? 130 GLY L O 1 ATOM 5403 N N . THR C 3 125 ? 29.732 6.881 -48.536 1.00 68.08 ? 131 THR L N 1 ATOM 5404 C CA . THR C 3 125 ? 28.377 6.476 -48.888 1.00 69.97 ? 131 THR L CA 1 ATOM 5405 C C . THR C 3 125 ? 28.181 6.476 -50.400 1.00 62.18 ? 131 THR L C 1 ATOM 5406 O O . THR C 3 125 ? 28.897 7.161 -51.129 1.00 56.09 ? 131 THR L O 1 ATOM 5407 C CB . THR C 3 125 ? 27.325 7.389 -48.233 1.00 72.02 ? 131 THR L CB 1 ATOM 5408 O OG1 . THR C 3 125 ? 27.646 8.759 -48.503 1.00 84.15 ? 131 THR L OG1 1 ATOM 5409 C CG2 . THR C 3 125 ? 27.299 7.171 -46.726 1.00 74.37 ? 131 THR L CG2 1 ATOM 5410 N N . ALA C 3 126 ? 27.212 5.695 -50.866 1.00 59.03 ? 132 ALA L N 1 ATOM 5411 C CA . ALA C 3 126 ? 26.933 5.590 -52.290 1.00 54.31 ? 132 ALA L CA 1 ATOM 5412 C C . ALA C 3 126 ? 25.454 5.808 -52.576 1.00 54.56 ? 132 ALA L C 1 ATOM 5413 O O . ALA C 3 126 ? 24.600 5.080 -52.069 1.00 49.63 ? 132 ALA L O 1 ATOM 5414 C CB . ALA C 3 126 ? 27.380 4.237 -52.820 1.00 52.96 ? 132 ALA L CB 1 ATOM 5415 N N . SER C 3 127 ? 25.161 6.818 -53.387 1.00 47.37 ? 133 SER L N 1 ATOM 5416 C CA . SER C 3 127 ? 23.792 7.111 -53.791 1.00 41.10 ? 133 SER L CA 1 ATOM 5417 C C . SER C 3 127 ? 23.597 6.790 -55.266 1.00 40.41 ? 133 SER L C 1 ATOM 5418 O O . SER C 3 127 ? 24.299 7.328 -56.123 1.00 47.00 ? 133 SER L O 1 ATOM 5419 C CB . SER C 3 127 ? 23.445 8.578 -53.525 1.00 40.81 ? 133 SER L CB 1 ATOM 5420 O OG . SER C 3 127 ? 23.604 8.910 -52.156 1.00 50.62 ? 133 SER L OG 1 ATOM 5421 N N . VAL C 3 128 ? 22.649 5.907 -55.557 1.00 38.38 ? 134 VAL L N 1 ATOM 5422 C CA . VAL C 3 128 ? 22.316 5.576 -56.935 1.00 36.71 ? 134 VAL L CA 1 ATOM 5423 C C . VAL C 3 128 ? 20.962 6.179 -57.275 1.00 41.64 ? 134 VAL L C 1 ATOM 5424 O O . VAL C 3 128 ? 19.990 5.988 -56.546 1.00 44.83 ? 134 VAL L O 1 ATOM 5425 C CB . VAL C 3 128 ? 22.285 4.056 -57.169 1.00 40.27 ? 134 VAL L CB 1 ATOM 5426 C CG1 . VAL C 3 128 ? 22.234 3.757 -58.657 1.00 39.14 ? 134 VAL L CG1 1 ATOM 5427 C CG2 . VAL C 3 128 ? 23.500 3.402 -56.538 1.00 38.46 ? 134 VAL L CG2 1 ATOM 5428 N N . VAL C 3 129 ? 20.902 6.919 -58.376 1.00 43.73 ? 135 VAL L N 1 ATOM 5429 C CA . VAL C 3 129 ? 19.692 7.650 -58.717 1.00 42.91 ? 135 VAL L CA 1 ATOM 5430 C C . VAL C 3 129 ? 19.039 7.110 -59.980 1.00 46.25 ? 135 VAL L C 1 ATOM 5431 O O . VAL C 3 129 ? 19.703 6.878 -60.995 1.00 41.05 ? 135 VAL L O 1 ATOM 5432 C CB . VAL C 3 129 ? 19.982 9.155 -58.898 1.00 41.06 ? 135 VAL L CB 1 ATOM 5433 C CG1 . VAL C 3 129 ? 18.737 9.893 -59.360 1.00 32.42 ? 135 VAL L CG1 1 ATOM 5434 C CG2 . VAL C 3 129 ? 20.503 9.753 -57.602 1.00 46.86 ? 135 VAL L CG2 1 ATOM 5435 N N . CYS C 3 130 ? 17.731 6.902 -59.907 1.00 41.68 ? 136 CYS L N 1 ATOM 5436 C CA . CYS C 3 130 ? 16.959 6.500 -61.072 1.00 33.34 ? 136 CYS L CA 1 ATOM 5437 C C . CYS C 3 130 ? 15.914 7.564 -61.386 1.00 41.07 ? 136 CYS L C 1 ATOM 5438 O O . CYS C 3 130 ? 15.138 7.957 -60.513 1.00 43.15 ? 136 CYS L O 1 ATOM 5439 C CB . CYS C 3 130 ? 16.294 5.143 -60.838 1.00 34.28 ? 136 CYS L CB 1 ATOM 5440 S SG . CYS C 3 130 ? 15.591 4.374 -62.320 1.00 48.06 ? 136 CYS L SG 1 ATOM 5441 N N . LEU C 3 131 ? 15.904 8.034 -62.630 1.00 39.00 ? 137 LEU L N 1 ATOM 5442 C CA . LEU C 3 131 ? 14.985 9.088 -63.051 1.00 30.80 ? 137 LEU L CA 1 ATOM 5443 C C . LEU C 3 131 ? 13.900 8.557 -63.987 1.00 39.23 ? 137 LEU L C 1 ATOM 5444 O O . LEU C 3 131 ? 14.186 7.852 -64.956 1.00 40.87 ? 137 LEU L O 1 ATOM 5445 C CB . LEU C 3 131 ? 15.754 10.220 -63.736 1.00 32.44 ? 137 LEU L CB 1 ATOM 5446 C CG . LEU C 3 131 ? 14.936 11.280 -64.482 1.00 40.33 ? 137 LEU L CG 1 ATOM 5447 C CD1 . LEU C 3 131 ? 14.158 12.162 -63.516 1.00 31.52 ? 137 LEU L CD1 1 ATOM 5448 C CD2 . LEU C 3 131 ? 15.834 12.120 -65.381 1.00 36.70 ? 137 LEU L CD2 1 ATOM 5449 N N . LEU C 3 132 ? 12.653 8.891 -63.676 1.00 40.01 ? 138 LEU L N 1 ATOM 5450 C CA . LEU C 3 132 ? 11.523 8.593 -64.549 1.00 37.42 ? 138 LEU L CA 1 ATOM 5451 C C . LEU C 3 132 ? 10.989 9.915 -65.064 1.00 39.87 ? 138 LEU L C 1 ATOM 5452 O O . LEU C 3 132 ? 10.408 10.685 -64.302 1.00 32.44 ? 138 LEU L O 1 ATOM 5453 C CB . LEU C 3 132 ? 10.424 7.829 -63.808 1.00 38.83 ? 138 LEU L CB 1 ATOM 5454 C CG . LEU C 3 132 ? 10.596 6.347 -63.472 1.00 40.14 ? 138 LEU L CG 1 ATOM 5455 C CD1 . LEU C 3 132 ? 11.750 6.107 -62.508 1.00 33.05 ? 138 LEU L CD1 1 ATOM 5456 C CD2 . LEU C 3 132 ? 9.297 5.824 -62.889 1.00 40.39 ? 138 LEU L CD2 1 ATOM 5457 N N . ASN C 3 133 ? 11.185 10.185 -66.349 1.00 37.46 ? 139 ASN L N 1 ATOM 5458 C CA . ASN C 3 133 ? 10.934 11.522 -66.871 1.00 35.09 ? 139 ASN L CA 1 ATOM 5459 C C . ASN C 3 133 ? 9.689 11.635 -67.745 1.00 41.15 ? 139 ASN L C 1 ATOM 5460 O O . ASN C 3 133 ? 9.500 10.856 -68.682 1.00 36.50 ? 139 ASN L O 1 ATOM 5461 C CB . ASN C 3 133 ? 12.148 12.004 -67.666 1.00 37.31 ? 139 ASN L CB 1 ATOM 5462 C CG . ASN C 3 133 ? 12.275 13.514 -67.673 1.00 49.69 ? 139 ASN L CG 1 ATOM 5463 O OD1 . ASN C 3 133 ? 11.980 14.173 -66.677 1.00 49.62 ? 139 ASN L OD1 1 ATOM 5464 N ND2 . ASN C 3 133 ? 12.711 14.070 -68.798 1.00 41.93 ? 139 ASN L ND2 1 ATOM 5465 N N . ASN C 3 134 ? 8.847 12.613 -67.417 1.00 35.81 ? 140 ASN L N 1 ATOM 5466 C CA . ASN C 3 134 ? 7.750 13.043 -68.281 1.00 40.65 ? 140 ASN L CA 1 ATOM 5467 C C . ASN C 3 134 ? 6.756 11.947 -68.640 1.00 45.31 ? 140 ASN L C 1 ATOM 5468 O O . ASN C 3 134 ? 6.535 11.663 -69.818 1.00 43.27 ? 140 ASN L O 1 ATOM 5469 C CB . ASN C 3 134 ? 8.322 13.660 -69.561 1.00 38.07 ? 140 ASN L CB 1 ATOM 5470 C CG . ASN C 3 134 ? 9.120 14.919 -69.284 1.00 47.41 ? 140 ASN L CG 1 ATOM 5471 O OD1 . ASN C 3 134 ? 9.241 15.343 -68.134 1.00 41.49 ? 140 ASN L OD1 1 ATOM 5472 N ND2 . ASN C 3 134 ? 9.671 15.520 -70.332 1.00 45.31 ? 140 ASN L ND2 1 ATOM 5473 N N . PHE C 3 135 ? 6.143 11.344 -67.626 1.00 37.95 ? 141 PHE L N 1 ATOM 5474 C CA . PHE C 3 135 ? 5.174 10.284 -67.865 1.00 31.18 ? 141 PHE L CA 1 ATOM 5475 C C . PHE C 3 135 ? 3.760 10.654 -67.417 1.00 39.31 ? 141 PHE L C 1 ATOM 5476 O O . PHE C 3 135 ? 3.557 11.580 -66.631 1.00 39.33 ? 141 PHE L O 1 ATOM 5477 C CB . PHE C 3 135 ? 5.619 8.986 -67.177 1.00 29.92 ? 141 PHE L CB 1 ATOM 5478 C CG . PHE C 3 135 ? 5.760 9.097 -65.681 1.00 31.20 ? 141 PHE L CG 1 ATOM 5479 C CD1 . PHE C 3 135 ? 6.965 9.480 -65.109 1.00 33.49 ? 141 PHE L CD1 1 ATOM 5480 C CD2 . PHE C 3 135 ? 4.695 8.798 -64.848 1.00 26.56 ? 141 PHE L CD2 1 ATOM 5481 C CE1 . PHE C 3 135 ? 7.100 9.577 -63.732 1.00 35.25 ? 141 PHE L CE1 1 ATOM 5482 C CE2 . PHE C 3 135 ? 4.823 8.891 -63.469 1.00 35.96 ? 141 PHE L CE2 1 ATOM 5483 C CZ . PHE C 3 135 ? 6.027 9.281 -62.912 1.00 31.82 ? 141 PHE L CZ 1 ATOM 5484 N N . TYR C 3 136 ? 2.789 9.919 -67.946 1.00 39.90 ? 142 TYR L N 1 ATOM 5485 C CA . TYR C 3 136 ? 1.390 10.054 -67.566 1.00 37.67 ? 142 TYR L CA 1 ATOM 5486 C C . TYR C 3 136 ? 0.705 8.718 -67.831 1.00 42.88 ? 142 TYR L C 1 ATOM 5487 O O . TYR C 3 136 ? 0.954 8.098 -68.865 1.00 44.74 ? 142 TYR L O 1 ATOM 5488 C CB . TYR C 3 136 ? 0.698 11.183 -68.349 1.00 31.39 ? 142 TYR L CB 1 ATOM 5489 C CG . TYR C 3 136 ? -0.721 11.423 -67.883 1.00 38.42 ? 142 TYR L CG 1 ATOM 5490 C CD1 . TYR C 3 136 ? -1.787 10.725 -68.443 1.00 28.47 ? 142 TYR L CD1 1 ATOM 5491 C CD2 . TYR C 3 136 ? -0.990 12.315 -66.853 1.00 39.78 ? 142 TYR L CD2 1 ATOM 5492 C CE1 . TYR C 3 136 ? -3.082 10.925 -68.000 1.00 38.33 ? 142 TYR L CE1 1 ATOM 5493 C CE2 . TYR C 3 136 ? -2.281 12.520 -66.404 1.00 36.36 ? 142 TYR L CE2 1 ATOM 5494 C CZ . TYR C 3 136 ? -3.322 11.824 -66.980 1.00 37.47 ? 142 TYR L CZ 1 ATOM 5495 O OH . TYR C 3 136 ? -4.607 12.031 -66.536 1.00 41.27 ? 142 TYR L OH 1 ATOM 5496 N N . PRO C 3 137 ? -0.167 8.267 -66.913 1.00 40.59 ? 143 PRO L N 1 ATOM 5497 C CA . PRO C 3 137 ? -0.592 8.904 -65.660 1.00 43.24 ? 143 PRO L CA 1 ATOM 5498 C C . PRO C 3 137 ? 0.446 8.812 -64.544 1.00 41.45 ? 143 PRO L C 1 ATOM 5499 O O . PRO C 3 137 ? 1.510 8.220 -64.738 1.00 36.90 ? 143 PRO L O 1 ATOM 5500 C CB . PRO C 3 137 ? -1.855 8.125 -65.288 1.00 43.00 ? 143 PRO L CB 1 ATOM 5501 C CG . PRO C 3 137 ? -1.636 6.773 -65.873 1.00 39.16 ? 143 PRO L CG 1 ATOM 5502 C CD . PRO C 3 137 ? -0.896 7.011 -67.164 1.00 40.36 ? 143 PRO L CD 1 ATOM 5503 N N . ARG C 3 138 ? 0.128 9.396 -63.391 1.00 35.81 ? 144 ARG L N 1 ATOM 5504 C CA . ARG C 3 138 ? 1.069 9.490 -62.277 1.00 37.80 ? 144 ARG L CA 1 ATOM 5505 C C . ARG C 3 138 ? 1.467 8.128 -61.710 1.00 36.43 ? 144 ARG L C 1 ATOM 5506 O O . ARG C 3 138 ? 2.601 7.944 -61.263 1.00 39.06 ? 144 ARG L O 1 ATOM 5507 C CB . ARG C 3 138 ? 0.483 10.356 -61.157 1.00 42.57 ? 144 ARG L CB 1 ATOM 5508 C CG . ARG C 3 138 ? 1.407 10.501 -59.952 1.00 40.07 ? 144 ARG L CG 1 ATOM 5509 C CD . ARG C 3 138 ? 0.675 11.005 -58.725 1.00 65.71 ? 144 ARG L CD 1 ATOM 5510 N NE . ARG C 3 138 ? 1.417 10.705 -57.503 1.00 81.05 ? 144 ARG L NE 1 ATOM 5511 C CZ . ARG C 3 138 ? 2.302 11.524 -56.944 1.00 77.28 ? 144 ARG L CZ 1 ATOM 5512 N NH1 . ARG C 3 138 ? 2.553 12.704 -57.493 1.00 73.54 ? 144 ARG L NH1 1 ATOM 5513 N NH2 . ARG C 3 138 ? 2.931 11.165 -55.834 1.00 80.06 ? 144 ARG L NH2 1 ATOM 5514 N N . GLU C 3 139 ? 0.538 7.177 -61.728 1.00 40.35 ? 145 GLU L N 1 ATOM 5515 C CA . GLU C 3 139 ? 0.777 5.869 -61.116 1.00 48.04 ? 145 GLU L CA 1 ATOM 5516 C C . GLU C 3 139 ? 1.956 5.145 -61.759 1.00 48.20 ? 145 GLU L C 1 ATOM 5517 O O . GLU C 3 139 ? 1.923 4.805 -62.940 1.00 51.75 ? 145 GLU L O 1 ATOM 5518 C CB . GLU C 3 139 ? -0.479 4.995 -61.198 1.00 52.69 ? 145 GLU L CB 1 ATOM 5519 C CG . GLU C 3 139 ? -1.576 5.370 -60.205 1.00 69.44 ? 145 GLU L CG 1 ATOM 5520 C CD . GLU C 3 139 ? -2.275 6.675 -60.550 1.00 72.44 ? 145 GLU L CD 1 ATOM 5521 O OE1 . GLU C 3 139 ? -2.289 7.052 -61.743 1.00 56.10 ? 145 GLU L OE1 1 ATOM 5522 O OE2 . GLU C 3 139 ? -2.811 7.324 -59.625 1.00 75.78 ? 145 GLU L OE2 1 ATOM 5523 N N . ALA C 3 140 ? 3.002 4.922 -60.971 1.00 42.67 ? 146 ALA L N 1 ATOM 5524 C CA . ALA C 3 140 ? 4.185 4.215 -61.446 1.00 41.50 ? 146 ALA L CA 1 ATOM 5525 C C . ALA C 3 140 ? 4.854 3.464 -60.305 1.00 50.51 ? 146 ALA L C 1 ATOM 5526 O O . ALA C 3 140 ? 4.796 3.890 -59.152 1.00 53.07 ? 146 ALA L O 1 ATOM 5527 C CB . ALA C 3 140 ? 5.162 5.182 -62.089 1.00 33.21 ? 146 ALA L CB 1 ATOM 5528 N N . LYS C 3 141 ? 5.487 2.342 -60.628 1.00 42.64 ? 147 LYS L N 1 ATOM 5529 C CA . LYS C 3 141 ? 6.202 1.565 -59.625 1.00 43.16 ? 147 LYS L CA 1 ATOM 5530 C C . LYS C 3 141 ? 7.679 1.437 -59.980 1.00 47.07 ? 147 LYS L C 1 ATOM 5531 O O . LYS C 3 141 ? 8.040 1.113 -61.116 1.00 47.69 ? 147 LYS L O 1 ATOM 5532 C CB . LYS C 3 141 ? 5.585 0.174 -59.464 1.00 37.89 ? 147 LYS L CB 1 ATOM 5533 C CG . LYS C 3 141 ? 6.247 -0.658 -58.369 1.00 50.39 ? 147 LYS L CG 1 ATOM 5534 C CD . LYS C 3 141 ? 6.060 -2.152 -58.590 1.00 62.14 ? 147 LYS L CD 1 ATOM 5535 C CE . LYS C 3 141 ? 4.600 -2.561 -58.506 1.00 72.19 ? 147 LYS L CE 1 ATOM 5536 N NZ . LYS C 3 141 ? 4.434 -4.032 -58.682 1.00 73.50 ? 147 LYS L NZ 1 ATOM 5537 N N . VAL C 3 142 ? 8.524 1.696 -58.992 1.00 35.02 ? 148 VAL L N 1 ATOM 5538 C CA . VAL C 3 142 ? 9.964 1.559 -59.139 1.00 43.67 ? 148 VAL L CA 1 ATOM 5539 C C . VAL C 3 142 ? 10.494 0.516 -58.162 1.00 48.82 ? 148 VAL L C 1 ATOM 5540 O O . VAL C 3 142 ? 10.225 0.594 -56.966 1.00 49.58 ? 148 VAL L O 1 ATOM 5541 C CB . VAL C 3 142 ? 10.684 2.894 -58.889 1.00 53.11 ? 148 VAL L CB 1 ATOM 5542 C CG1 . VAL C 3 142 ? 12.185 2.682 -58.825 1.00 57.47 ? 148 VAL L CG1 1 ATOM 5543 C CG2 . VAL C 3 142 ? 10.310 3.916 -59.956 1.00 53.72 ? 148 VAL L CG2 1 ATOM 5544 N N . GLN C 3 143 ? 11.236 -0.461 -58.671 1.00 37.73 ? 149 GLN L N 1 ATOM 5545 C CA . GLN C 3 143 ? 11.886 -1.446 -57.813 1.00 44.61 ? 149 GLN L CA 1 ATOM 5546 C C . GLN C 3 143 ? 13.387 -1.472 -58.063 1.00 54.40 ? 149 GLN L C 1 ATOM 5547 O O . GLN C 3 143 ? 13.838 -1.433 -59.209 1.00 52.95 ? 149 GLN L O 1 ATOM 5548 C CB . GLN C 3 143 ? 11.296 -2.840 -58.030 1.00 49.64 ? 149 GLN L CB 1 ATOM 5549 C CG . GLN C 3 143 ? 9.940 -3.046 -57.379 1.00 71.45 ? 149 GLN L CG 1 ATOM 5550 C CD . GLN C 3 143 ? 9.578 -4.513 -57.235 1.00 83.81 ? 149 GLN L CD 1 ATOM 5551 O OE1 . GLN C 3 143 ? 9.881 -5.330 -58.106 1.00 91.34 ? 149 GLN L OE1 1 ATOM 5552 N NE2 . GLN C 3 143 ? 8.934 -4.855 -56.125 1.00 83.86 ? 149 GLN L NE2 1 ATOM 5553 N N . TRP C 3 144 ? 14.157 -1.531 -56.982 1.00 45.43 ? 150 TRP L N 1 ATOM 5554 C CA . TRP C 3 144 ? 15.606 -1.622 -57.081 1.00 45.60 ? 150 TRP L CA 1 ATOM 5555 C C . TRP C 3 144 ? 16.068 -3.065 -56.948 1.00 46.94 ? 150 TRP L C 1 ATOM 5556 O O . TRP C 3 144 ? 15.604 -3.805 -56.075 1.00 44.18 ? 150 TRP L O 1 ATOM 5557 C CB . TRP C 3 144 ? 16.287 -0.766 -56.010 1.00 48.49 ? 150 TRP L CB 1 ATOM 5558 C CG . TRP C 3 144 ? 16.258 0.712 -56.277 1.00 47.09 ? 150 TRP L CG 1 ATOM 5559 C CD1 . TRP C 3 144 ? 15.380 1.620 -55.761 1.00 44.85 ? 150 TRP L CD1 1 ATOM 5560 C CD2 . TRP C 3 144 ? 17.160 1.454 -57.111 1.00 46.93 ? 150 TRP L CD2 1 ATOM 5561 N NE1 . TRP C 3 144 ? 15.676 2.881 -56.225 1.00 43.35 ? 150 TRP L NE1 1 ATOM 5562 C CE2 . TRP C 3 144 ? 16.764 2.806 -57.055 1.00 45.13 ? 150 TRP L CE2 1 ATOM 5563 C CE3 . TRP C 3 144 ? 18.261 1.106 -57.901 1.00 43.58 ? 150 TRP L CE3 1 ATOM 5564 C CZ2 . TRP C 3 144 ? 17.430 3.811 -57.759 1.00 46.42 ? 150 TRP L CZ2 1 ATOM 5565 C CZ3 . TRP C 3 144 ? 18.922 2.106 -58.600 1.00 45.14 ? 150 TRP L CZ3 1 ATOM 5566 C CH2 . TRP C 3 144 ? 18.502 3.441 -58.525 1.00 45.61 ? 150 TRP L CH2 1 ATOM 5567 N N . LYS C 3 145 ? 16.989 -3.459 -57.818 1.00 39.82 ? 151 LYS L N 1 ATOM 5568 C CA . LYS C 3 145 ? 17.606 -4.772 -57.719 1.00 46.39 ? 151 LYS L CA 1 ATOM 5569 C C . LYS C 3 145 ? 19.119 -4.625 -57.685 1.00 50.07 ? 151 LYS L C 1 ATOM 5570 O O . LYS C 3 145 ? 19.701 -3.877 -58.469 1.00 56.89 ? 151 LYS L O 1 ATOM 5571 C CB . LYS C 3 145 ? 17.181 -5.669 -58.882 1.00 53.28 ? 151 LYS L CB 1 ATOM 5572 C CG . LYS C 3 145 ? 15.689 -5.954 -58.935 1.00 64.86 ? 151 LYS L CG 1 ATOM 5573 C CD . LYS C 3 145 ? 15.367 -7.011 -59.980 1.00 67.62 ? 151 LYS L CD 1 ATOM 5574 C CE . LYS C 3 145 ? 13.884 -7.347 -59.990 1.00 76.30 ? 151 LYS L CE 1 ATOM 5575 N NZ . LYS C 3 145 ? 13.605 -8.613 -60.725 1.00 81.55 ? 151 LYS L NZ 1 ATOM 5576 N N . VAL C 3 146 ? 19.749 -5.325 -56.752 1.00 48.37 ? 152 VAL L N 1 ATOM 5577 C CA . VAL C 3 146 ? 21.198 -5.332 -56.654 1.00 48.80 ? 152 VAL L CA 1 ATOM 5578 C C . VAL C 3 146 ? 21.669 -6.775 -56.762 1.00 52.04 ? 152 VAL L C 1 ATOM 5579 O O . VAL C 3 146 ? 21.405 -7.587 -55.873 1.00 51.13 ? 152 VAL L O 1 ATOM 5580 C CB . VAL C 3 146 ? 21.681 -4.692 -55.341 1.00 52.23 ? 152 VAL L CB 1 ATOM 5581 C CG1 . VAL C 3 146 ? 23.188 -4.760 -55.242 1.00 51.66 ? 152 VAL L CG1 1 ATOM 5582 C CG2 . VAL C 3 146 ? 21.206 -3.249 -55.256 1.00 36.98 ? 152 VAL L CG2 1 ATOM 5583 N N . ASP C 3 147 ? 22.353 -7.085 -57.861 1.00 54.65 ? 153 ASP L N 1 ATOM 5584 C CA . ASP C 3 147 ? 22.669 -8.465 -58.231 1.00 58.29 ? 153 ASP L CA 1 ATOM 5585 C C . ASP C 3 147 ? 21.401 -9.316 -58.226 1.00 46.30 ? 153 ASP L C 1 ATOM 5586 O O . ASP C 3 147 ? 21.363 -10.390 -57.629 1.00 49.56 ? 153 ASP L O 1 ATOM 5587 C CB . ASP C 3 147 ? 23.724 -9.064 -57.296 1.00 64.16 ? 153 ASP L CB 1 ATOM 5588 C CG . ASP C 3 147 ? 25.117 -8.530 -57.572 1.00 71.26 ? 153 ASP L CG 1 ATOM 5589 O OD1 . ASP C 3 147 ? 25.369 -8.081 -58.711 1.00 75.24 ? 153 ASP L OD1 1 ATOM 5590 O OD2 . ASP C 3 147 ? 25.962 -8.563 -56.652 1.00 67.99 ? 153 ASP L OD2 1 ATOM 5591 N N . ASN C 3 148 ? 20.366 -8.802 -58.886 1.00 45.61 ? 154 ASN L N 1 ATOM 5592 C CA . ASN C 3 148 ? 19.083 -9.486 -59.048 1.00 60.50 ? 154 ASN L CA 1 ATOM 5593 C C . ASN C 3 148 ? 18.365 -9.802 -57.732 1.00 66.48 ? 154 ASN L C 1 ATOM 5594 O O . ASN C 3 148 ? 17.496 -10.672 -57.689 1.00 76.34 ? 154 ASN L O 1 ATOM 5595 C CB . ASN C 3 148 ? 19.274 -10.777 -59.851 1.00 62.03 ? 154 ASN L CB 1 ATOM 5596 C CG . ASN C 3 148 ? 18.073 -11.107 -60.719 1.00 67.06 ? 154 ASN L CG 1 ATOM 5597 O OD1 . ASN C 3 148 ? 17.271 -10.231 -61.049 1.00 68.20 ? 154 ASN L OD1 1 ATOM 5598 N ND2 . ASN C 3 148 ? 17.946 -12.374 -61.097 1.00 73.43 ? 154 ASN L ND2 1 ATOM 5599 N N . ALA C 3 149 ? 18.724 -9.093 -56.665 1.00 60.30 ? 155 ALA L N 1 ATOM 5600 C CA . ALA C 3 149 ? 18.026 -9.228 -55.389 1.00 56.30 ? 155 ALA L CA 1 ATOM 5601 C C . ALA C 3 149 ? 17.206 -7.973 -55.092 1.00 55.91 ? 155 ALA L C 1 ATOM 5602 O O . ALA C 3 149 ? 17.730 -6.859 -55.122 1.00 51.74 ? 155 ALA L O 1 ATOM 5603 C CB . ALA C 3 149 ? 19.015 -9.500 -54.263 1.00 57.62 ? 155 ALA L CB 1 ATOM 5604 N N . LEU C 3 150 ? 15.920 -8.162 -54.810 1.00 61.09 ? 156 LEU L N 1 ATOM 5605 C CA . LEU C 3 150 ? 15.013 -7.053 -54.523 1.00 62.69 ? 156 LEU L CA 1 ATOM 5606 C C . LEU C 3 150 ? 15.423 -6.274 -53.276 1.00 62.81 ? 156 LEU L C 1 ATOM 5607 O O . LEU C 3 150 ? 15.793 -6.859 -52.259 1.00 60.12 ? 156 LEU L O 1 ATOM 5608 C CB . LEU C 3 150 ? 13.582 -7.570 -54.363 1.00 67.59 ? 156 LEU L CB 1 ATOM 5609 C CG . LEU C 3 150 ? 12.724 -7.575 -55.627 1.00 76.63 ? 156 LEU L CG 1 ATOM 5610 C CD1 . LEU C 3 150 ? 11.439 -8.354 -55.403 1.00 77.48 ? 156 LEU L CD1 1 ATOM 5611 C CD2 . LEU C 3 150 ? 12.419 -6.148 -56.050 1.00 79.70 ? 156 LEU L CD2 1 ATOM 5612 N N . GLN C 3 151 ? 15.347 -4.950 -53.365 1.00 56.37 ? 157 GLN L N 1 ATOM 5613 C CA . GLN C 3 151 ? 15.740 -4.072 -52.268 1.00 56.11 ? 157 GLN L CA 1 ATOM 5614 C C . GLN C 3 151 ? 14.530 -3.507 -51.532 1.00 57.30 ? 157 GLN L C 1 ATOM 5615 O O . GLN C 3 151 ? 13.527 -3.147 -52.150 1.00 60.74 ? 157 GLN L O 1 ATOM 5616 C CB . GLN C 3 151 ? 16.607 -2.924 -52.792 1.00 53.35 ? 157 GLN L CB 1 ATOM 5617 C CG . GLN C 3 151 ? 17.859 -3.380 -53.519 1.00 54.76 ? 157 GLN L CG 1 ATOM 5618 C CD . GLN C 3 151 ? 18.816 -4.121 -52.609 1.00 56.14 ? 157 GLN L CD 1 ATOM 5619 O OE1 . GLN C 3 151 ? 19.454 -3.520 -51.747 1.00 57.96 ? 157 GLN L OE1 1 ATOM 5620 N NE2 . GLN C 3 151 ? 18.915 -5.435 -52.792 1.00 46.54 ? 157 GLN L NE2 1 ATOM 5621 N N . SER C 3 152 ? 14.634 -3.427 -50.210 1.00 57.20 ? 158 SER L N 1 ATOM 5622 C CA . SER C 3 152 ? 13.565 -2.876 -49.386 1.00 56.07 ? 158 SER L CA 1 ATOM 5623 C C . SER C 3 152 ? 14.124 -2.079 -48.215 1.00 50.14 ? 158 SER L C 1 ATOM 5624 O O . SER C 3 152 ? 14.958 -2.576 -47.461 1.00 53.12 ? 158 SER L O 1 ATOM 5625 C CB . SER C 3 152 ? 12.657 -3.992 -48.864 1.00 66.50 ? 158 SER L CB 1 ATOM 5626 O OG . SER C 3 152 ? 11.976 -4.636 -49.924 1.00 77.78 ? 158 SER L OG 1 ATOM 5627 N N . GLY C 3 153 ? 13.663 -0.840 -48.070 1.00 48.54 ? 159 GLY L N 1 ATOM 5628 C CA . GLY C 3 153 ? 14.004 -0.032 -46.911 1.00 54.59 ? 159 GLY L CA 1 ATOM 5629 C C . GLY C 3 153 ? 15.223 0.856 -47.074 1.00 54.37 ? 159 GLY L C 1 ATOM 5630 O O . GLY C 3 153 ? 15.600 1.575 -46.147 1.00 56.47 ? 159 GLY L O 1 ATOM 5631 N N . ASN C 3 154 ? 15.841 0.814 -48.249 1.00 50.41 ? 160 ASN L N 1 ATOM 5632 C CA . ASN C 3 154 ? 17.039 1.606 -48.503 1.00 45.58 ? 160 ASN L CA 1 ATOM 5633 C C . ASN C 3 154 ? 16.885 2.545 -49.700 1.00 48.10 ? 160 ASN L C 1 ATOM 5634 O O . ASN C 3 154 ? 17.874 2.961 -50.302 1.00 44.61 ? 160 ASN L O 1 ATOM 5635 C CB . ASN C 3 154 ? 18.248 0.685 -48.711 1.00 41.55 ? 160 ASN L CB 1 ATOM 5636 C CG . ASN C 3 154 ? 18.011 -0.359 -49.789 1.00 47.60 ? 160 ASN L CG 1 ATOM 5637 O OD1 . ASN C 3 154 ? 16.953 -0.393 -50.417 1.00 45.97 ? 160 ASN L OD1 1 ATOM 5638 N ND2 . ASN C 3 154 ? 19.002 -1.215 -50.013 1.00 44.24 ? 160 ASN L ND2 1 ATOM 5639 N N . SER C 3 155 ? 15.647 2.885 -50.041 1.00 41.57 ? 161 SER L N 1 ATOM 5640 C CA . SER C 3 155 ? 15.409 3.836 -51.121 1.00 44.27 ? 161 SER L CA 1 ATOM 5641 C C . SER C 3 155 ? 14.334 4.858 -50.754 1.00 47.92 ? 161 SER L C 1 ATOM 5642 O O . SER C 3 155 ? 13.454 4.585 -49.937 1.00 42.48 ? 161 SER L O 1 ATOM 5643 C CB . SER C 3 155 ? 15.021 3.106 -52.412 1.00 41.50 ? 161 SER L CB 1 ATOM 5644 O OG . SER C 3 155 ? 13.710 2.572 -52.336 1.00 42.82 ? 161 SER L OG 1 ATOM 5645 N N . GLN C 3 156 ? 14.424 6.039 -51.358 1.00 48.25 ? 162 GLN L N 1 ATOM 5646 C CA . GLN C 3 156 ? 13.435 7.097 -51.162 1.00 47.64 ? 162 GLN L CA 1 ATOM 5647 C C . GLN C 3 156 ? 13.038 7.708 -52.499 1.00 42.82 ? 162 GLN L C 1 ATOM 5648 O O . GLN C 3 156 ? 13.883 7.906 -53.372 1.00 37.08 ? 162 GLN L O 1 ATOM 5649 C CB . GLN C 3 156 ? 13.973 8.184 -50.230 1.00 41.47 ? 162 GLN L CB 1 ATOM 5650 C CG . GLN C 3 156 ? 14.103 7.753 -48.780 1.00 40.90 ? 162 GLN L CG 1 ATOM 5651 C CD . GLN C 3 156 ? 14.523 8.891 -47.878 1.00 50.63 ? 162 GLN L CD 1 ATOM 5652 O OE1 . GLN C 3 156 ? 15.677 9.321 -47.898 1.00 59.36 ? 162 GLN L OE1 1 ATOM 5653 N NE2 . GLN C 3 156 ? 13.586 9.393 -47.082 1.00 51.22 ? 162 GLN L NE2 1 ATOM 5654 N N . GLU C 3 157 ? 11.752 8.007 -52.653 1.00 42.52 ? 163 GLU L N 1 ATOM 5655 C CA . GLU C 3 157 ? 11.235 8.523 -53.917 1.00 43.51 ? 163 GLU L CA 1 ATOM 5656 C C . GLU C 3 157 ? 10.678 9.928 -53.771 1.00 39.86 ? 163 GLU L C 1 ATOM 5657 O O . GLU C 3 157 ? 10.262 10.337 -52.693 1.00 35.45 ? 163 GLU L O 1 ATOM 5658 C CB . GLU C 3 157 ? 10.143 7.608 -54.475 1.00 45.60 ? 163 GLU L CB 1 ATOM 5659 C CG . GLU C 3 157 ? 10.621 6.242 -54.916 1.00 66.78 ? 163 GLU L CG 1 ATOM 5660 C CD . GLU C 3 157 ? 9.504 5.416 -55.521 1.00 74.12 ? 163 GLU L CD 1 ATOM 5661 O OE1 . GLU C 3 157 ? 9.746 4.235 -55.847 1.00 80.27 ? 163 GLU L OE1 1 ATOM 5662 O OE2 . GLU C 3 157 ? 8.382 5.952 -55.667 1.00 64.68 ? 163 GLU L OE2 1 ATOM 5663 N N . SER C 3 158 ? 10.659 10.658 -54.878 1.00 34.28 ? 164 SER L N 1 ATOM 5664 C CA . SER C 3 158 ? 10.121 12.006 -54.893 1.00 38.96 ? 164 SER L CA 1 ATOM 5665 C C . SER C 3 158 ? 9.511 12.287 -56.264 1.00 32.61 ? 164 SER L C 1 ATOM 5666 O O . SER C 3 158 ? 10.079 11.913 -57.286 1.00 36.78 ? 164 SER L O 1 ATOM 5667 C CB . SER C 3 158 ? 11.216 13.018 -54.555 1.00 38.89 ? 164 SER L CB 1 ATOM 5668 O OG . SER C 3 158 ? 10.733 14.339 -54.652 1.00 48.71 ? 164 SER L OG 1 ATOM 5669 N N . VAL C 3 159 ? 8.347 12.933 -56.273 1.00 36.06 ? 165 VAL L N 1 ATOM 5670 C CA . VAL C 3 159 ? 7.600 13.182 -57.506 1.00 34.67 ? 165 VAL L CA 1 ATOM 5671 C C . VAL C 3 159 ? 7.307 14.668 -57.683 1.00 44.62 ? 165 VAL L C 1 ATOM 5672 O O . VAL C 3 159 ? 6.960 15.354 -56.722 1.00 42.29 ? 165 VAL L O 1 ATOM 5673 C CB . VAL C 3 159 ? 6.263 12.409 -57.517 1.00 40.91 ? 165 VAL L CB 1 ATOM 5674 C CG1 . VAL C 3 159 ? 5.618 12.462 -58.891 1.00 35.11 ? 165 VAL L CG1 1 ATOM 5675 C CG2 . VAL C 3 159 ? 6.474 10.971 -57.084 1.00 48.39 ? 165 VAL L CG2 1 ATOM 5676 N N . THR C 3 160 ? 7.442 15.165 -58.910 1.00 36.20 ? 166 THR L N 1 ATOM 5677 C CA . THR C 3 160 ? 7.117 16.557 -59.200 1.00 43.68 ? 166 THR L CA 1 ATOM 5678 C C . THR C 3 160 ? 5.610 16.751 -59.303 1.00 35.33 ? 166 THR L C 1 ATOM 5679 O O . THR C 3 160 ? 4.868 15.792 -59.511 1.00 38.44 ? 166 THR L O 1 ATOM 5680 C CB . THR C 3 160 ? 7.770 17.036 -60.515 1.00 46.41 ? 166 THR L CB 1 ATOM 5681 O OG1 . THR C 3 160 ? 7.405 16.150 -61.584 1.00 37.55 ? 166 THR L OG1 1 ATOM 5682 C CG2 . THR C 3 160 ? 9.287 17.071 -60.382 1.00 40.85 ? 166 THR L CG2 1 ATOM 5683 N N . GLU C 3 161 ? 5.163 17.993 -59.147 1.00 36.16 ? 167 GLU L N 1 ATOM 5684 C CA . GLU C 3 161 ? 3.783 18.348 -59.449 1.00 37.51 ? 167 GLU L CA 1 ATOM 5685 C C . GLU C 3 161 ? 3.534 18.170 -60.939 1.00 43.51 ? 167 GLU L C 1 ATOM 5686 O O . GLU C 3 161 ? 4.472 18.218 -61.737 1.00 38.89 ? 167 GLU L O 1 ATOM 5687 C CB . GLU C 3 161 ? 3.486 19.790 -59.031 1.00 40.40 ? 167 GLU L CB 1 ATOM 5688 C CG . GLU C 3 161 ? 3.490 20.009 -57.525 1.00 63.53 ? 167 GLU L CG 1 ATOM 5689 C CD . GLU C 3 161 ? 2.426 19.190 -56.818 1.00 84.14 ? 167 GLU L CD 1 ATOM 5690 O OE1 . GLU C 3 161 ? 1.227 19.505 -56.979 1.00 90.93 ? 167 GLU L OE1 1 ATOM 5691 O OE2 . GLU C 3 161 ? 2.789 18.227 -56.107 1.00 93.16 ? 167 GLU L OE2 1 ATOM 5692 N N . GLN C 3 162 ? 2.276 17.957 -61.313 1.00 40.70 ? 168 GLN L N 1 ATOM 5693 C CA . GLN C 3 162 ? 1.925 17.812 -62.717 1.00 41.17 ? 168 GLN L CA 1 ATOM 5694 C C . GLN C 3 162 ? 2.344 19.065 -63.482 1.00 45.68 ? 168 GLN L C 1 ATOM 5695 O O . GLN C 3 162 ? 2.035 20.185 -63.070 1.00 45.49 ? 168 GLN L O 1 ATOM 5696 C CB . GLN C 3 162 ? 0.427 17.555 -62.884 1.00 43.61 ? 168 GLN L CB 1 ATOM 5697 C CG . GLN C 3 162 ? 0.029 17.188 -64.308 1.00 42.91 ? 168 GLN L CG 1 ATOM 5698 C CD . GLN C 3 162 ? -1.434 16.812 -64.432 1.00 38.33 ? 168 GLN L CD 1 ATOM 5699 O OE1 . GLN C 3 162 ? -2.280 17.306 -63.688 1.00 41.28 ? 168 GLN L OE1 1 ATOM 5700 N NE2 . GLN C 3 162 ? -1.738 15.928 -65.376 1.00 35.16 ? 168 GLN L NE2 1 ATOM 5701 N N . ASP C 3 163 ? 3.069 18.872 -64.579 1.00 38.06 ? 169 ASP L N 1 ATOM 5702 C CA . ASP C 3 163 ? 3.611 19.994 -65.339 1.00 35.97 ? 169 ASP L CA 1 ATOM 5703 C C . ASP C 3 163 ? 2.502 20.861 -65.924 1.00 43.77 ? 169 ASP L C 1 ATOM 5704 O O . ASP C 3 163 ? 1.513 20.348 -66.446 1.00 42.82 ? 169 ASP L O 1 ATOM 5705 C CB . ASP C 3 163 ? 4.530 19.491 -66.454 1.00 38.38 ? 169 ASP L CB 1 ATOM 5706 C CG . ASP C 3 163 ? 5.232 20.621 -67.182 1.00 45.11 ? 169 ASP L CG 1 ATOM 5707 O OD1 . ASP C 3 163 ? 4.662 21.140 -68.163 1.00 51.63 ? 169 ASP L OD1 1 ATOM 5708 O OD2 . ASP C 3 163 ? 6.353 20.993 -66.774 1.00 44.98 ? 169 ASP L OD2 1 ATOM 5709 N N . SER C 3 164 ? 2.672 22.177 -65.831 1.00 41.40 ? 170 SER L N 1 ATOM 5710 C CA . SER C 3 164 ? 1.665 23.113 -66.320 1.00 52.32 ? 170 SER L CA 1 ATOM 5711 C C . SER C 3 164 ? 1.543 23.094 -67.844 1.00 53.57 ? 170 SER L C 1 ATOM 5712 O O . SER C 3 164 ? 0.481 23.394 -68.386 1.00 55.54 ? 170 SER L O 1 ATOM 5713 C CB . SER C 3 164 ? 1.982 24.532 -65.840 1.00 57.66 ? 170 SER L CB 1 ATOM 5714 O OG . SER C 3 164 ? 3.297 24.916 -66.204 1.00 66.34 ? 170 SER L OG 1 ATOM 5715 N N . LYS C 3 165 ? 2.623 22.734 -68.531 1.00 55.01 ? 171 LYS L N 1 ATOM 5716 C CA . LYS C 3 165 ? 2.631 22.743 -69.993 1.00 60.18 ? 171 LYS L CA 1 ATOM 5717 C C . LYS C 3 165 ? 2.196 21.408 -70.604 1.00 54.58 ? 171 LYS L C 1 ATOM 5718 O O . LYS C 3 165 ? 1.205 21.351 -71.333 1.00 48.49 ? 171 LYS L O 1 ATOM 5719 C CB . LYS C 3 165 ? 4.021 23.119 -70.519 1.00 66.34 ? 171 LYS L CB 1 ATOM 5720 C CG . LYS C 3 165 ? 4.241 24.614 -70.741 1.00 82.03 ? 171 LYS L CG 1 ATOM 5721 C CD . LYS C 3 165 ? 4.225 25.402 -69.440 1.00 86.33 ? 171 LYS L CD 1 ATOM 5722 C CE . LYS C 3 165 ? 4.477 26.881 -69.690 1.00 95.23 ? 171 LYS L CE 1 ATOM 5723 N NZ . LYS C 3 165 ? 4.438 27.678 -68.431 1.00 98.34 ? 171 LYS L NZ 1 ATOM 5724 N N . ASP C 3 166 ? 2.931 20.338 -70.312 1.00 42.18 ? 172 ASP L N 1 ATOM 5725 C CA . ASP C 3 166 ? 2.680 19.056 -70.976 1.00 43.69 ? 172 ASP L CA 1 ATOM 5726 C C . ASP C 3 166 ? 1.860 18.075 -70.131 1.00 43.66 ? 172 ASP L C 1 ATOM 5727 O O . ASP C 3 166 ? 1.596 16.952 -70.564 1.00 41.74 ? 172 ASP L O 1 ATOM 5728 C CB . ASP C 3 166 ? 4.007 18.405 -71.390 1.00 51.16 ? 172 ASP L CB 1 ATOM 5729 C CG . ASP C 3 166 ? 4.950 18.170 -70.216 1.00 59.11 ? 172 ASP L CG 1 ATOM 5730 O OD1 . ASP C 3 166 ? 4.488 17.767 -69.129 1.00 58.01 ? 172 ASP L OD1 1 ATOM 5731 O OD2 . ASP C 3 166 ? 6.169 18.379 -70.387 1.00 66.15 ? 172 ASP L OD2 1 ATOM 5732 N N . SER C 3 167 ? 1.478 18.503 -68.930 1.00 44.42 ? 173 SER L N 1 ATOM 5733 C CA . SER C 3 167 ? 0.642 17.706 -68.027 1.00 41.50 ? 173 SER L CA 1 ATOM 5734 C C . SER C 3 167 ? 1.249 16.357 -67.639 1.00 35.31 ? 173 SER L C 1 ATOM 5735 O O . SER C 3 167 ? 0.518 15.404 -67.369 1.00 40.27 ? 173 SER L O 1 ATOM 5736 C CB . SER C 3 167 ? -0.740 17.476 -68.648 1.00 34.72 ? 173 SER L CB 1 ATOM 5737 O OG . SER C 3 167 ? -1.465 18.688 -68.741 1.00 42.17 ? 173 SER L OG 1 ATOM 5738 N N . THR C 3 168 ? 2.575 16.275 -67.593 1.00 30.81 ? 174 THR L N 1 ATOM 5739 C CA . THR C 3 168 ? 3.236 15.025 -67.222 1.00 35.65 ? 174 THR L CA 1 ATOM 5740 C C . THR C 3 168 ? 3.833 15.077 -65.819 1.00 42.95 ? 174 THR L C 1 ATOM 5741 O O . THR C 3 168 ? 3.892 16.135 -65.193 1.00 37.86 ? 174 THR L O 1 ATOM 5742 C CB . THR C 3 168 ? 4.358 14.661 -68.208 1.00 44.85 ? 174 THR L CB 1 ATOM 5743 O OG1 . THR C 3 168 ? 5.373 15.672 -68.171 1.00 44.92 ? 174 THR L OG1 1 ATOM 5744 C CG2 . THR C 3 168 ? 3.811 14.540 -69.626 1.00 42.46 ? 174 THR L CG2 1 ATOM 5745 N N . TYR C 3 169 ? 4.271 13.918 -65.337 1.00 33.63 ? 175 TYR L N 1 ATOM 5746 C CA . TYR C 3 169 ? 4.961 13.821 -64.060 1.00 37.79 ? 175 TYR L CA 1 ATOM 5747 C C . TYR C 3 169 ? 6.387 13.329 -64.263 1.00 37.68 ? 175 TYR L C 1 ATOM 5748 O O . TYR C 3 169 ? 6.707 12.722 -65.282 1.00 37.71 ? 175 TYR L O 1 ATOM 5749 C CB . TYR C 3 169 ? 4.221 12.876 -63.106 1.00 39.44 ? 175 TYR L CB 1 ATOM 5750 C CG . TYR C 3 169 ? 2.806 13.295 -62.783 1.00 37.93 ? 175 TYR L CG 1 ATOM 5751 C CD1 . TYR C 3 169 ? 1.742 12.890 -63.581 1.00 39.12 ? 175 TYR L CD1 1 ATOM 5752 C CD2 . TYR C 3 169 ? 2.531 14.093 -61.680 1.00 34.55 ? 175 TYR L CD2 1 ATOM 5753 C CE1 . TYR C 3 169 ? 0.445 13.269 -63.290 1.00 38.10 ? 175 TYR L CE1 1 ATOM 5754 C CE2 . TYR C 3 169 ? 1.238 14.476 -61.380 1.00 36.44 ? 175 TYR L CE2 1 ATOM 5755 C CZ . TYR C 3 169 ? 0.199 14.061 -62.188 1.00 38.52 ? 175 TYR L CZ 1 ATOM 5756 O OH . TYR C 3 169 ? -1.092 14.443 -61.897 1.00 36.33 ? 175 TYR L OH 1 ATOM 5757 N N . SER C 3 170 ? 7.241 13.594 -63.284 1.00 37.92 ? 176 SER L N 1 ATOM 5758 C CA . SER C 3 170 ? 8.571 13.007 -63.256 1.00 35.51 ? 176 SER L CA 1 ATOM 5759 C C . SER C 3 170 ? 8.850 12.471 -61.860 1.00 36.38 ? 176 SER L C 1 ATOM 5760 O O . SER C 3 170 ? 8.330 12.989 -60.871 1.00 39.16 ? 176 SER L O 1 ATOM 5761 C CB . SER C 3 170 ? 9.632 14.024 -63.672 1.00 34.30 ? 176 SER L CB 1 ATOM 5762 O OG . SER C 3 170 ? 9.495 14.363 -65.044 1.00 41.49 ? 176 SER L OG 1 ATOM 5763 N N . LEU C 3 171 ? 9.659 11.423 -61.777 1.00 42.60 ? 177 LEU L N 1 ATOM 5764 C CA . LEU C 3 171 ? 9.931 10.798 -60.491 1.00 46.02 ? 177 LEU L CA 1 ATOM 5765 C C . LEU C 3 171 ? 11.411 10.494 -60.319 1.00 43.28 ? 177 LEU L C 1 ATOM 5766 O O . LEU C 3 171 ? 12.081 10.030 -61.243 1.00 34.95 ? 177 LEU L O 1 ATOM 5767 C CB . LEU C 3 171 ? 9.102 9.517 -60.335 1.00 39.14 ? 177 LEU L CB 1 ATOM 5768 C CG . LEU C 3 171 ? 9.237 8.719 -59.033 1.00 43.98 ? 177 LEU L CG 1 ATOM 5769 C CD1 . LEU C 3 171 ? 7.907 8.086 -58.666 1.00 48.60 ? 177 LEU L CD1 1 ATOM 5770 C CD2 . LEU C 3 171 ? 10.304 7.641 -59.157 1.00 41.98 ? 177 LEU L CD2 1 ATOM 5771 N N . SER C 3 172 ? 11.909 10.761 -59.118 1.00 34.54 ? 178 SER L N 1 ATOM 5772 C CA . SER C 3 172 ? 13.275 10.424 -58.756 1.00 35.45 ? 178 SER L CA 1 ATOM 5773 C C . SER C 3 172 ? 13.283 9.372 -57.655 1.00 45.40 ? 178 SER L C 1 ATOM 5774 O O . SER C 3 172 ? 12.574 9.505 -56.660 1.00 55.09 ? 178 SER L O 1 ATOM 5775 C CB . SER C 3 172 ? 14.030 11.671 -58.296 1.00 50.10 ? 178 SER L CB 1 ATOM 5776 O OG . SER C 3 172 ? 15.362 11.354 -57.937 1.00 63.14 ? 178 SER L OG 1 ATOM 5777 N N . SER C 3 173 ? 14.082 8.327 -57.838 1.00 43.78 ? 179 SER L N 1 ATOM 5778 C CA . SER C 3 173 ? 14.264 7.320 -56.799 1.00 49.34 ? 179 SER L CA 1 ATOM 5779 C C . SER C 3 173 ? 15.741 7.196 -56.452 1.00 48.36 ? 179 SER L C 1 ATOM 5780 O O . SER C 3 173 ? 16.581 7.019 -57.336 1.00 40.81 ? 179 SER L O 1 ATOM 5781 C CB . SER C 3 173 ? 13.706 5.967 -57.244 1.00 49.13 ? 179 SER L CB 1 ATOM 5782 O OG . SER C 3 173 ? 13.835 5.002 -56.212 1.00 54.24 ? 179 SER L OG 1 ATOM 5783 N N . THR C 3 174 ? 16.059 7.291 -55.165 1.00 42.12 ? 180 THR L N 1 ATOM 5784 C CA . THR C 3 174 ? 17.449 7.227 -54.732 1.00 43.79 ? 180 THR L CA 1 ATOM 5785 C C . THR C 3 174 ? 17.726 6.012 -53.856 1.00 44.79 ? 180 THR L C 1 ATOM 5786 O O . THR C 3 174 ? 17.108 5.832 -52.808 1.00 40.80 ? 180 THR L O 1 ATOM 5787 C CB . THR C 3 174 ? 17.853 8.498 -53.967 1.00 43.29 ? 180 THR L CB 1 ATOM 5788 O OG1 . THR C 3 174 ? 17.635 9.640 -54.801 1.00 41.83 ? 180 THR L OG1 1 ATOM 5789 C CG2 . THR C 3 174 ? 19.321 8.444 -53.572 1.00 46.17 ? 180 THR L CG2 1 ATOM 5790 N N . LEU C 3 175 ? 18.662 5.182 -54.298 1.00 44.32 ? 181 LEU L N 1 ATOM 5791 C CA . LEU C 3 175 ? 19.111 4.036 -53.522 1.00 42.79 ? 181 LEU L CA 1 ATOM 5792 C C . LEU C 3 175 ? 20.384 4.417 -52.780 1.00 46.11 ? 181 LEU L C 1 ATOM 5793 O O . LEU C 3 175 ? 21.355 4.851 -53.398 1.00 43.46 ? 181 LEU L O 1 ATOM 5794 C CB . LEU C 3 175 ? 19.356 2.828 -54.429 1.00 43.08 ? 181 LEU L CB 1 ATOM 5795 C CG . LEU C 3 175 ? 19.809 1.532 -53.752 1.00 48.53 ? 181 LEU L CG 1 ATOM 5796 C CD1 . LEU C 3 175 ? 18.675 0.924 -52.940 1.00 41.90 ? 181 LEU L CD1 1 ATOM 5797 C CD2 . LEU C 3 175 ? 20.330 0.537 -54.780 1.00 37.25 ? 181 LEU L CD2 1 ATOM 5798 N N . THR C 3 176 ? 20.381 4.265 -51.459 1.00 41.98 ? 182 THR L N 1 ATOM 5799 C CA . THR C 3 176 ? 21.525 4.683 -50.658 1.00 47.46 ? 182 THR L CA 1 ATOM 5800 C C . THR C 3 176 ? 22.170 3.508 -49.923 1.00 53.03 ? 182 THR L C 1 ATOM 5801 O O . THR C 3 176 ? 21.530 2.841 -49.111 1.00 55.86 ? 182 THR L O 1 ATOM 5802 C CB . THR C 3 176 ? 21.126 5.766 -49.628 1.00 57.36 ? 182 THR L CB 1 ATOM 5803 O OG1 . THR C 3 176 ? 20.274 5.193 -48.629 1.00 77.41 ? 182 THR L OG1 1 ATOM 5804 C CG2 . THR C 3 176 ? 20.394 6.913 -50.308 1.00 34.20 ? 182 THR L CG2 1 ATOM 5805 N N . LEU C 3 177 ? 23.445 3.267 -50.215 1.00 49.42 ? 183 LEU L N 1 ATOM 5806 C CA . LEU C 3 177 ? 24.206 2.214 -49.555 1.00 55.46 ? 183 LEU L CA 1 ATOM 5807 C C . LEU C 3 177 ? 25.503 2.766 -48.979 1.00 56.12 ? 183 LEU L C 1 ATOM 5808 O O . LEU C 3 177 ? 25.962 3.835 -49.379 1.00 53.75 ? 183 LEU L O 1 ATOM 5809 C CB . LEU C 3 177 ? 24.522 1.080 -50.532 1.00 64.76 ? 183 LEU L CB 1 ATOM 5810 C CG . LEU C 3 177 ? 23.379 0.527 -51.383 1.00 66.78 ? 183 LEU L CG 1 ATOM 5811 C CD1 . LEU C 3 177 ? 23.909 -0.506 -52.362 1.00 63.93 ? 183 LEU L CD1 1 ATOM 5812 C CD2 . LEU C 3 177 ? 22.294 -0.071 -50.504 1.00 75.15 ? 183 LEU L CD2 1 ATOM 5813 N N . SER C 3 178 ? 26.094 2.037 -48.038 1.00 47.95 ? 184 SER L N 1 ATOM 5814 C CA . SER C 3 178 ? 27.436 2.361 -47.574 1.00 50.26 ? 184 SER L CA 1 ATOM 5815 C C . SER C 3 178 ? 28.422 2.086 -48.705 1.00 54.53 ? 184 SER L C 1 ATOM 5816 O O . SER C 3 178 ? 28.119 1.315 -49.615 1.00 54.46 ? 184 SER L O 1 ATOM 5817 C CB . SER C 3 178 ? 27.799 1.543 -46.337 1.00 57.21 ? 184 SER L CB 1 ATOM 5818 O OG . SER C 3 178 ? 27.809 0.160 -46.643 1.00 58.90 ? 184 SER L OG 1 ATOM 5819 N N . LYS C 3 179 ? 29.593 2.713 -48.654 1.00 56.97 ? 185 LYS L N 1 ATOM 5820 C CA . LYS C 3 179 ? 30.614 2.477 -49.670 1.00 57.44 ? 185 LYS L CA 1 ATOM 5821 C C . LYS C 3 179 ? 31.030 1.012 -49.679 1.00 65.35 ? 185 LYS L C 1 ATOM 5822 O O . LYS C 3 179 ? 31.286 0.437 -50.737 1.00 73.89 ? 185 LYS L O 1 ATOM 5823 C CB . LYS C 3 179 ? 31.836 3.364 -49.436 1.00 64.96 ? 185 LYS L CB 1 ATOM 5824 C CG . LYS C 3 179 ? 32.911 3.214 -50.502 1.00 70.17 ? 185 LYS L CG 1 ATOM 5825 C CD . LYS C 3 179 ? 34.199 3.915 -50.106 1.00 80.25 ? 185 LYS L CD 1 ATOM 5826 C CE . LYS C 3 179 ? 35.257 3.765 -51.187 1.00 82.73 ? 185 LYS L CE 1 ATOM 5827 N NZ . LYS C 3 179 ? 36.561 4.361 -50.790 1.00 88.98 ? 185 LYS L NZ 1 ATOM 5828 N N . ALA C 3 180 ? 31.086 0.415 -48.493 1.00 63.46 ? 186 ALA L N 1 ATOM 5829 C CA . ALA C 3 180 ? 31.473 -0.982 -48.345 1.00 66.01 ? 186 ALA L CA 1 ATOM 5830 C C . ALA C 3 180 ? 30.471 -1.915 -49.020 1.00 73.80 ? 186 ALA L C 1 ATOM 5831 O O . ALA C 3 180 ? 30.858 -2.830 -49.749 1.00 81.17 ? 186 ALA L O 1 ATOM 5832 C CB . ALA C 3 180 ? 31.618 -1.336 -46.874 1.00 64.68 ? 186 ALA L CB 1 ATOM 5833 N N . ASP C 3 181 ? 29.185 -1.681 -48.776 1.00 72.50 ? 187 ASP L N 1 ATOM 5834 C CA . ASP C 3 181 ? 28.133 -2.492 -49.383 1.00 70.85 ? 187 ASP L CA 1 ATOM 5835 C C . ASP C 3 181 ? 28.080 -2.306 -50.895 1.00 69.99 ? 187 ASP L C 1 ATOM 5836 O O . ASP C 3 181 ? 27.792 -3.249 -51.634 1.00 69.40 ? 187 ASP L O 1 ATOM 5837 C CB . ASP C 3 181 ? 26.770 -2.158 -48.771 1.00 69.98 ? 187 ASP L CB 1 ATOM 5838 C CG . ASP C 3 181 ? 26.500 -2.927 -47.494 1.00 83.96 ? 187 ASP L CG 1 ATOM 5839 O OD1 . ASP C 3 181 ? 27.048 -4.039 -47.340 1.00 95.29 ? 187 ASP L OD1 1 ATOM 5840 O OD2 . ASP C 3 181 ? 25.735 -2.424 -46.646 1.00 90.46 ? 187 ASP L OD2 1 ATOM 5841 N N . TYR C 3 182 ? 28.359 -1.090 -51.352 1.00 64.70 ? 188 TYR L N 1 ATOM 5842 C CA . TYR C 3 182 ? 28.316 -0.790 -52.777 1.00 62.43 ? 188 TYR L CA 1 ATOM 5843 C C . TYR C 3 182 ? 29.382 -1.574 -53.540 1.00 66.93 ? 188 TYR L C 1 ATOM 5844 O O . TYR C 3 182 ? 29.111 -2.137 -54.602 1.00 63.46 ? 188 TYR L O 1 ATOM 5845 C CB . TYR C 3 182 ? 28.488 0.712 -53.021 1.00 47.18 ? 188 TYR L CB 1 ATOM 5846 C CG . TYR C 3 182 ? 28.551 1.084 -54.487 1.00 52.59 ? 188 TYR L CG 1 ATOM 5847 C CD1 . TYR C 3 182 ? 27.423 0.998 -55.295 1.00 50.93 ? 188 TYR L CD1 1 ATOM 5848 C CD2 . TYR C 3 182 ? 29.737 1.522 -55.064 1.00 53.03 ? 188 TYR L CD2 1 ATOM 5849 C CE1 . TYR C 3 182 ? 27.476 1.333 -56.637 1.00 49.35 ? 188 TYR L CE1 1 ATOM 5850 C CE2 . TYR C 3 182 ? 29.798 1.864 -56.405 1.00 52.80 ? 188 TYR L CE2 1 ATOM 5851 C CZ . TYR C 3 182 ? 28.666 1.766 -57.186 1.00 53.51 ? 188 TYR L CZ 1 ATOM 5852 O OH . TYR C 3 182 ? 28.723 2.103 -58.521 1.00 51.65 ? 188 TYR L OH 1 ATOM 5853 N N . GLU C 3 183 ? 30.587 -1.623 -52.985 1.00 67.04 ? 189 GLU L N 1 ATOM 5854 C CA . GLU C 3 183 ? 31.704 -2.296 -53.638 1.00 70.57 ? 189 GLU L CA 1 ATOM 5855 C C . GLU C 3 183 ? 31.619 -3.814 -53.498 1.00 76.47 ? 189 GLU L C 1 ATOM 5856 O O . GLU C 3 183 ? 32.478 -4.542 -53.997 1.00 80.37 ? 189 GLU L O 1 ATOM 5857 C CB . GLU C 3 183 ? 33.028 -1.784 -53.068 1.00 72.65 ? 189 GLU L CB 1 ATOM 5858 C CG . GLU C 3 183 ? 33.262 -0.304 -53.319 1.00 72.33 ? 189 GLU L CG 1 ATOM 5859 C CD . GLU C 3 183 ? 34.463 0.238 -52.569 1.00 80.49 ? 189 GLU L CD 1 ATOM 5860 O OE1 . GLU C 3 183 ? 35.112 1.171 -53.086 1.00 85.90 ? 189 GLU L OE1 1 ATOM 5861 O OE2 . GLU C 3 183 ? 34.753 -0.263 -51.461 1.00 83.14 ? 189 GLU L OE2 1 ATOM 5862 N N . LYS C 3 184 ? 30.577 -4.284 -52.821 1.00 73.46 ? 190 LYS L N 1 ATOM 5863 C CA . LYS C 3 184 ? 30.351 -5.712 -52.632 1.00 76.26 ? 190 LYS L CA 1 ATOM 5864 C C . LYS C 3 184 ? 29.619 -6.320 -53.837 1.00 73.93 ? 190 LYS L C 1 ATOM 5865 O O . LYS C 3 184 ? 29.730 -7.518 -54.107 1.00 66.60 ? 190 LYS L O 1 ATOM 5866 C CB . LYS C 3 184 ? 29.567 -5.943 -51.330 1.00 78.07 ? 190 LYS L CB 1 ATOM 5867 C CG . LYS C 3 184 ? 29.048 -7.358 -51.111 1.00 84.34 ? 190 LYS L CG 1 ATOM 5868 C CD . LYS C 3 184 ? 30.165 -8.389 -51.139 1.00 91.42 ? 190 LYS L CD 1 ATOM 5869 C CE . LYS C 3 184 ? 29.609 -9.773 -51.438 1.00 94.75 ? 190 LYS L CE 1 ATOM 5870 N NZ . LYS C 3 184 ? 30.662 -10.704 -51.930 1.00 100.15 ? 190 LYS L NZ 1 ATOM 5871 N N . HIS C 3 185 ? 28.898 -5.486 -54.580 1.00 59.98 ? 191 HIS L N 1 ATOM 5872 C CA . HIS C 3 185 ? 28.048 -5.982 -55.660 1.00 67.45 ? 191 HIS L CA 1 ATOM 5873 C C . HIS C 3 185 ? 28.376 -5.364 -57.022 1.00 64.92 ? 191 HIS L C 1 ATOM 5874 O O . HIS C 3 185 ? 29.027 -4.323 -57.102 1.00 67.05 ? 191 HIS L O 1 ATOM 5875 C CB . HIS C 3 185 ? 26.582 -5.733 -55.312 1.00 69.28 ? 191 HIS L CB 1 ATOM 5876 C CG . HIS C 3 185 ? 26.164 -6.336 -54.006 1.00 71.58 ? 191 HIS L CG 1 ATOM 5877 N ND1 . HIS C 3 185 ? 25.760 -7.648 -53.888 1.00 73.14 ? 191 HIS L ND1 1 ATOM 5878 C CD2 . HIS C 3 185 ? 26.097 -5.808 -52.761 1.00 75.58 ? 191 HIS L CD2 1 ATOM 5879 C CE1 . HIS C 3 185 ? 25.458 -7.902 -52.627 1.00 71.03 ? 191 HIS L CE1 1 ATOM 5880 N NE2 . HIS C 3 185 ? 25.654 -6.802 -51.923 1.00 74.59 ? 191 HIS L NE2 1 ATOM 5881 N N . LYS C 3 186 ? 27.908 -6.013 -58.087 1.00 57.63 ? 192 LYS L N 1 ATOM 5882 C CA . LYS C 3 186 ? 28.234 -5.609 -59.455 1.00 62.48 ? 192 LYS L CA 1 ATOM 5883 C C . LYS C 3 186 ? 27.066 -4.945 -60.176 1.00 56.45 ? 192 LYS L C 1 ATOM 5884 O O . LYS C 3 186 ? 27.169 -3.809 -60.630 1.00 55.30 ? 192 LYS L O 1 ATOM 5885 C CB . LYS C 3 186 ? 28.696 -6.820 -60.275 1.00 51.74 ? 192 LYS L CB 1 ATOM 5886 C CG . LYS C 3 186 ? 29.757 -7.670 -59.600 1.00 78.23 ? 192 LYS L CG 1 ATOM 5887 C CD . LYS C 3 186 ? 31.030 -6.881 -59.346 1.00 91.83 ? 192 LYS L CD 1 ATOM 5888 C CE . LYS C 3 186 ? 32.059 -7.736 -58.626 1.00 98.68 ? 192 LYS L CE 1 ATOM 5889 N NZ . LYS C 3 186 ? 31.520 -8.274 -57.346 1.00 101.34 ? 192 LYS L NZ 1 ATOM 5890 N N . VAL C 3 187 ? 25.960 -5.672 -60.294 1.00 61.84 ? 193 VAL L N 1 ATOM 5891 C CA . VAL C 3 187 ? 24.829 -5.213 -61.089 1.00 54.65 ? 193 VAL L CA 1 ATOM 5892 C C . VAL C 3 187 ? 23.868 -4.370 -60.263 1.00 54.51 ? 193 VAL L C 1 ATOM 5893 O O . VAL C 3 187 ? 23.251 -4.858 -59.316 1.00 50.88 ? 193 VAL L O 1 ATOM 5894 C CB . VAL C 3 187 ? 24.062 -6.400 -61.707 1.00 49.45 ? 193 VAL L CB 1 ATOM 5895 C CG1 . VAL C 3 187 ? 22.912 -5.903 -62.571 1.00 42.27 ? 193 VAL L CG1 1 ATOM 5896 C CG2 . VAL C 3 187 ? 25.006 -7.267 -62.520 1.00 48.43 ? 193 VAL L CG2 1 ATOM 5897 N N . TYR C 3 188 ? 23.756 -3.097 -60.626 1.00 47.19 ? 194 TYR L N 1 ATOM 5898 C CA . TYR C 3 188 ? 22.810 -2.195 -59.988 1.00 45.59 ? 194 TYR L CA 1 ATOM 5899 C C . TYR C 3 188 ? 21.726 -1.828 -60.983 1.00 51.28 ? 194 TYR L C 1 ATOM 5900 O O . TYR C 3 188 ? 21.979 -1.146 -61.972 1.00 49.78 ? 194 TYR L O 1 ATOM 5901 C CB . TYR C 3 188 ? 23.522 -0.952 -59.455 1.00 46.29 ? 194 TYR L CB 1 ATOM 5902 C CG . TYR C 3 188 ? 24.405 -1.284 -58.276 1.00 50.85 ? 194 TYR L CG 1 ATOM 5903 C CD1 . TYR C 3 188 ? 25.679 -1.803 -58.464 1.00 52.40 ? 194 TYR L CD1 1 ATOM 5904 C CD2 . TYR C 3 188 ? 23.949 -1.116 -56.976 1.00 52.61 ? 194 TYR L CD2 1 ATOM 5905 C CE1 . TYR C 3 188 ? 26.477 -2.128 -57.395 1.00 57.85 ? 194 TYR L CE1 1 ATOM 5906 C CE2 . TYR C 3 188 ? 24.743 -1.437 -55.897 1.00 47.01 ? 194 TYR L CE2 1 ATOM 5907 C CZ . TYR C 3 188 ? 26.007 -1.945 -56.114 1.00 55.62 ? 194 TYR L CZ 1 ATOM 5908 O OH . TYR C 3 188 ? 26.807 -2.273 -55.048 1.00 60.18 ? 194 TYR L OH 1 ATOM 5909 N N . ALA C 3 189 ? 20.517 -2.306 -60.726 1.00 60.24 ? 195 ALA L N 1 ATOM 5910 C CA . ALA C 3 189 ? 19.438 -2.192 -61.691 1.00 55.37 ? 195 ALA L CA 1 ATOM 5911 C C . ALA C 3 189 ? 18.237 -1.517 -61.041 1.00 46.68 ? 195 ALA L C 1 ATOM 5912 O O . ALA C 3 189 ? 17.972 -1.707 -59.852 1.00 45.32 ? 195 ALA L O 1 ATOM 5913 C CB . ALA C 3 189 ? 19.065 -3.583 -62.241 1.00 55.43 ? 195 ALA L CB 1 ATOM 5914 N N . CYS C 3 190 ? 17.520 -0.710 -61.815 1.00 44.74 ? 196 CYS L N 1 ATOM 5915 C CA . CYS C 3 190 ? 16.255 -0.162 -61.342 1.00 35.43 ? 196 CYS L CA 1 ATOM 5916 C C . CYS C 3 190 ? 15.169 -0.446 -62.386 1.00 40.81 ? 196 CYS L C 1 ATOM 5917 O O . CYS C 3 190 ? 15.334 -0.166 -63.577 1.00 45.01 ? 196 CYS L O 1 ATOM 5918 C CB . CYS C 3 190 ? 16.356 1.350 -61.024 1.00 50.27 ? 196 CYS L CB 1 ATOM 5919 S SG . CYS C 3 190 ? 16.316 2.482 -62.447 1.00 63.88 ? 196 CYS L SG 1 ATOM 5920 N N . GLU C 3 191 ? 14.050 -0.993 -61.919 1.00 40.88 ? 197 GLU L N 1 ATOM 5921 C CA . GLU C 3 191 ? 13.008 -1.529 -62.787 1.00 42.22 ? 197 GLU L CA 1 ATOM 5922 C C . GLU C 3 191 ? 11.742 -0.697 -62.699 1.00 48.94 ? 197 GLU L C 1 ATOM 5923 O O . GLU C 3 191 ? 11.237 -0.431 -61.605 1.00 45.60 ? 197 GLU L O 1 ATOM 5924 C CB . GLU C 3 191 ? 12.703 -2.976 -62.410 1.00 46.42 ? 197 GLU L CB 1 ATOM 5925 C CG . GLU C 3 191 ? 11.541 -3.578 -63.169 1.00 51.39 ? 197 GLU L CG 1 ATOM 5926 C CD . GLU C 3 191 ? 10.965 -4.803 -62.484 1.00 61.97 ? 197 GLU L CD 1 ATOM 5927 O OE1 . GLU C 3 191 ? 11.070 -5.910 -63.051 1.00 65.11 ? 197 GLU L OE1 1 ATOM 5928 O OE2 . GLU C 3 191 ? 10.393 -4.657 -61.383 1.00 71.16 ? 197 GLU L OE2 1 ATOM 5929 N N . VAL C 3 192 ? 11.234 -0.290 -63.858 1.00 39.23 ? 198 VAL L N 1 ATOM 5930 C CA . VAL C 3 192 ? 10.076 0.586 -63.920 1.00 36.73 ? 198 VAL L CA 1 ATOM 5931 C C . VAL C 3 192 ? 8.865 -0.071 -64.580 1.00 38.68 ? 198 VAL L C 1 ATOM 5932 O O . VAL C 3 192 ? 8.953 -0.564 -65.705 1.00 42.95 ? 198 VAL L O 1 ATOM 5933 C CB . VAL C 3 192 ? 10.412 1.876 -64.686 1.00 33.52 ? 198 VAL L CB 1 ATOM 5934 C CG1 . VAL C 3 192 ? 9.178 2.746 -64.820 1.00 37.12 ? 198 VAL L CG1 1 ATOM 5935 C CG2 . VAL C 3 192 ? 11.537 2.631 -63.984 1.00 35.30 ? 198 VAL L CG2 1 ATOM 5936 N N . THR C 3 193 ? 7.736 -0.067 -63.877 1.00 35.44 ? 199 THR L N 1 ATOM 5937 C CA . THR C 3 193 ? 6.468 -0.496 -64.458 1.00 43.08 ? 199 THR L CA 1 ATOM 5938 C C . THR C 3 193 ? 5.541 0.701 -64.594 1.00 41.89 ? 199 THR L C 1 ATOM 5939 O O . THR C 3 193 ? 5.396 1.493 -63.660 1.00 43.85 ? 199 THR L O 1 ATOM 5940 C CB . THR C 3 193 ? 5.767 -1.579 -63.616 1.00 40.85 ? 199 THR L CB 1 ATOM 5941 O OG1 . THR C 3 193 ? 5.254 -0.992 -62.415 1.00 75.70 ? 199 THR L OG1 1 ATOM 5942 C CG2 . THR C 3 193 ? 6.733 -2.681 -63.257 1.00 31.49 ? 199 THR L CG2 1 ATOM 5943 N N . HIS C 3 194 ? 4.921 0.826 -65.763 1.00 36.85 ? 200 HIS L N 1 ATOM 5944 C CA . HIS C 3 194 ? 4.033 1.942 -66.061 1.00 38.37 ? 200 HIS L CA 1 ATOM 5945 C C . HIS C 3 194 ? 3.110 1.564 -67.215 1.00 43.39 ? 200 HIS L C 1 ATOM 5946 O O . HIS C 3 194 ? 3.489 0.788 -68.090 1.00 40.40 ? 200 HIS L O 1 ATOM 5947 C CB . HIS C 3 194 ? 4.842 3.197 -66.401 1.00 36.58 ? 200 HIS L CB 1 ATOM 5948 C CG . HIS C 3 194 ? 4.011 4.438 -66.535 1.00 41.49 ? 200 HIS L CG 1 ATOM 5949 N ND1 . HIS C 3 194 ? 3.581 4.918 -67.754 1.00 34.60 ? 200 HIS L ND1 1 ATOM 5950 C CD2 . HIS C 3 194 ? 3.534 5.297 -65.603 1.00 34.32 ? 200 HIS L CD2 1 ATOM 5951 C CE1 . HIS C 3 194 ? 2.872 6.017 -67.567 1.00 35.95 ? 200 HIS L CE1 1 ATOM 5952 N NE2 . HIS C 3 194 ? 2.829 6.271 -66.272 1.00 39.73 ? 200 HIS L NE2 1 ATOM 5953 N N . GLN C 3 195 ? 1.898 2.111 -67.206 1.00 43.63 ? 201 GLN L N 1 ATOM 5954 C CA . GLN C 3 195 ? 0.887 1.795 -68.210 1.00 49.59 ? 201 GLN L CA 1 ATOM 5955 C C . GLN C 3 195 ? 1.377 2.057 -69.635 1.00 41.33 ? 201 GLN L C 1 ATOM 5956 O O . GLN C 3 195 ? 0.979 1.368 -70.573 1.00 47.22 ? 201 GLN L O 1 ATOM 5957 C CB . GLN C 3 195 ? -0.388 2.598 -67.940 1.00 58.79 ? 201 GLN L CB 1 ATOM 5958 C CG . GLN C 3 195 ? -1.498 2.374 -68.953 1.00 64.16 ? 201 GLN L CG 1 ATOM 5959 C CD . GLN C 3 195 ? -2.725 3.212 -68.663 1.00 62.71 ? 201 GLN L CD 1 ATOM 5960 O OE1 . GLN C 3 195 ? -2.871 3.762 -67.571 1.00 62.52 ? 201 GLN L OE1 1 ATOM 5961 N NE2 . GLN C 3 195 ? -3.617 3.316 -69.642 1.00 58.83 ? 201 GLN L NE2 1 ATOM 5962 N N . GLY C 3 196 ? 2.255 3.042 -69.787 1.00 39.12 ? 202 GLY L N 1 ATOM 5963 C CA . GLY C 3 196 ? 2.799 3.392 -71.087 1.00 40.54 ? 202 GLY L CA 1 ATOM 5964 C C . GLY C 3 196 ? 3.829 2.411 -71.618 1.00 45.91 ? 202 GLY L C 1 ATOM 5965 O O . GLY C 3 196 ? 4.259 2.519 -72.765 1.00 41.39 ? 202 GLY L O 1 ATOM 5966 N N . LEU C 3 197 ? 4.230 1.455 -70.787 1.00 39.99 ? 203 LEU L N 1 ATOM 5967 C CA . LEU C 3 197 ? 5.203 0.447 -71.199 1.00 38.71 ? 203 LEU L CA 1 ATOM 5968 C C . LEU C 3 197 ? 4.530 -0.903 -71.423 1.00 39.77 ? 203 LEU L C 1 ATOM 5969 O O . LEU C 3 197 ? 3.749 -1.355 -70.586 1.00 48.90 ? 203 LEU L O 1 ATOM 5970 C CB . LEU C 3 197 ? 6.308 0.311 -70.150 1.00 41.21 ? 203 LEU L CB 1 ATOM 5971 C CG . LEU C 3 197 ? 7.118 1.567 -69.828 1.00 41.86 ? 203 LEU L CG 1 ATOM 5972 C CD1 . LEU C 3 197 ? 7.966 1.347 -68.585 1.00 41.26 ? 203 LEU L CD1 1 ATOM 5973 C CD2 . LEU C 3 197 ? 7.988 1.957 -71.011 1.00 42.15 ? 203 LEU L CD2 1 ATOM 5974 N N . SER C 3 198 ? 4.833 -1.539 -72.555 1.00 39.26 ? 204 SER L N 1 ATOM 5975 C CA . SER C 3 198 ? 4.313 -2.868 -72.863 1.00 39.68 ? 204 SER L CA 1 ATOM 5976 C C . SER C 3 198 ? 4.748 -3.872 -71.805 1.00 39.02 ? 204 SER L C 1 ATOM 5977 O O . SER C 3 198 ? 4.025 -4.814 -71.480 1.00 45.46 ? 204 SER L O 1 ATOM 5978 C CB . SER C 3 198 ? 4.779 -3.325 -74.247 1.00 20.00 ? 204 SER L CB 1 ATOM 5979 O OG . SER C 3 198 ? 6.188 -3.470 -74.288 1.00 20.00 ? 204 SER L OG 1 ATOM 5980 N N . SER C 3 199 ? 5.954 -3.663 -71.291 1.00 44.87 ? 205 SER L N 1 ATOM 5981 C CA . SER C 3 199 ? 6.564 -4.550 -70.314 1.00 44.57 ? 205 SER L CA 1 ATOM 5982 C C . SER C 3 199 ? 7.397 -3.695 -69.382 1.00 41.68 ? 205 SER L C 1 ATOM 5983 O O . SER C 3 199 ? 7.827 -2.612 -69.772 1.00 43.53 ? 205 SER L O 1 ATOM 5984 C CB . SER C 3 199 ? 7.432 -5.608 -71.004 1.00 38.88 ? 205 SER L CB 1 ATOM 5985 O OG . SER C 3 199 ? 8.522 -5.009 -71.677 1.00 88.83 ? 205 SER L OG 1 ATOM 5986 N N . PRO C 3 200 ? 7.612 -4.159 -68.140 1.00 40.92 ? 206 PRO L N 1 ATOM 5987 C CA . PRO C 3 200 ? 8.491 -3.412 -67.236 1.00 37.08 ? 206 PRO L CA 1 ATOM 5988 C C . PRO C 3 200 ? 9.869 -3.185 -67.848 1.00 35.18 ? 206 PRO L C 1 ATOM 5989 O O . PRO C 3 200 ? 10.447 -4.097 -68.444 1.00 36.12 ? 206 PRO L O 1 ATOM 5990 C CB . PRO C 3 200 ? 8.576 -4.315 -66.005 1.00 37.04 ? 206 PRO L CB 1 ATOM 5991 C CG . PRO C 3 200 ? 7.289 -5.061 -66.013 1.00 46.47 ? 206 PRO L CG 1 ATOM 5992 C CD . PRO C 3 200 ? 6.967 -5.298 -67.464 1.00 40.80 ? 206 PRO L CD 1 ATOM 5993 N N . VAL C 3 201 ? 10.375 -1.967 -67.709 1.00 34.03 ? 207 VAL L N 1 ATOM 5994 C CA . VAL C 3 201 ? 11.661 -1.593 -68.274 1.00 39.62 ? 207 VAL L CA 1 ATOM 5995 C C . VAL C 3 201 ? 12.723 -1.494 -67.182 1.00 42.53 ? 207 VAL L C 1 ATOM 5996 O O . VAL C 3 201 ? 12.479 -0.947 -66.104 1.00 41.10 ? 207 VAL L O 1 ATOM 5997 C CB . VAL C 3 201 ? 11.560 -0.252 -69.041 1.00 49.34 ? 207 VAL L CB 1 ATOM 5998 C CG1 . VAL C 3 201 ? 12.939 0.326 -69.322 1.00 46.44 ? 207 VAL L CG1 1 ATOM 5999 C CG2 . VAL C 3 201 ? 10.781 -0.446 -70.338 1.00 45.36 ? 207 VAL L CG2 1 ATOM 6000 N N . THR C 3 202 ? 13.901 -2.038 -67.468 1.00 44.35 ? 208 THR L N 1 ATOM 6001 C CA . THR C 3 202 ? 15.001 -2.030 -66.516 1.00 41.35 ? 208 THR L CA 1 ATOM 6002 C C . THR C 3 202 ? 16.215 -1.291 -67.073 1.00 45.64 ? 208 THR L C 1 ATOM 6003 O O . THR C 3 202 ? 16.681 -1.579 -68.177 1.00 50.22 ? 208 THR L O 1 ATOM 6004 C CB . THR C 3 202 ? 15.413 -3.464 -66.134 1.00 44.73 ? 208 THR L CB 1 ATOM 6005 O OG1 . THR C 3 202 ? 14.290 -4.148 -65.566 1.00 49.05 ? 208 THR L OG1 1 ATOM 6006 C CG2 . THR C 3 202 ? 16.553 -3.449 -65.130 1.00 47.18 ? 208 THR L CG2 1 ATOM 6007 N N . LYS C 3 203 ? 16.708 -0.324 -66.310 1.00 41.24 ? 209 LYS L N 1 ATOM 6008 C CA . LYS C 3 203 ? 17.974 0.329 -66.614 1.00 39.59 ? 209 LYS L CA 1 ATOM 6009 C C . LYS C 3 203 ? 19.005 -0.083 -65.567 1.00 46.19 ? 209 LYS L C 1 ATOM 6010 O O . LYS C 3 203 ? 18.724 -0.053 -64.366 1.00 40.98 ? 209 LYS L O 1 ATOM 6011 C CB . LYS C 3 203 ? 17.812 1.851 -66.653 1.00 38.09 ? 209 LYS L CB 1 ATOM 6012 C CG . LYS C 3 203 ? 17.152 2.373 -67.922 1.00 50.90 ? 209 LYS L CG 1 ATOM 6013 C CD . LYS C 3 203 ? 18.010 2.079 -69.146 1.00 40.38 ? 209 LYS L CD 1 ATOM 6014 C CE . LYS C 3 203 ? 17.483 2.787 -70.389 1.00 63.04 ? 209 LYS L CE 1 ATOM 6015 N NZ . LYS C 3 203 ? 16.128 2.316 -70.784 1.00 60.32 ? 209 LYS L NZ 1 ATOM 6016 N N . SER C 3 204 ? 20.190 -0.483 -66.017 1.00 40.99 ? 210 SER L N 1 ATOM 6017 C CA . SER C 3 204 ? 21.207 -0.977 -65.097 1.00 46.43 ? 210 SER L CA 1 ATOM 6018 C C . SER C 3 204 ? 22.620 -0.603 -65.522 1.00 45.49 ? 210 SER L C 1 ATOM 6019 O O . SER C 3 204 ? 22.853 -0.184 -66.655 1.00 42.39 ? 210 SER L O 1 ATOM 6020 C CB . SER C 3 204 ? 21.103 -2.500 -64.960 1.00 43.98 ? 210 SER L CB 1 ATOM 6021 O OG . SER C 3 204 ? 21.411 -3.152 -66.179 1.00 52.15 ? 210 SER L OG 1 ATOM 6022 N N . PHE C 3 205 ? 23.559 -0.763 -64.595 1.00 45.74 ? 211 PHE L N 1 ATOM 6023 C CA . PHE C 3 205 ? 24.976 -0.602 -64.891 1.00 48.77 ? 211 PHE L CA 1 ATOM 6024 C C . PHE C 3 205 ? 25.793 -1.571 -64.049 1.00 53.35 ? 211 PHE L C 1 ATOM 6025 O O . PHE C 3 205 ? 25.382 -1.946 -62.952 1.00 51.29 ? 211 PHE L O 1 ATOM 6026 C CB . PHE C 3 205 ? 25.435 0.838 -64.633 1.00 43.38 ? 211 PHE L CB 1 ATOM 6027 C CG . PHE C 3 205 ? 25.430 1.234 -63.178 1.00 48.50 ? 211 PHE L CG 1 ATOM 6028 C CD1 . PHE C 3 205 ? 26.540 1.009 -62.374 1.00 50.32 ? 211 PHE L CD1 1 ATOM 6029 C CD2 . PHE C 3 205 ? 24.321 1.849 -62.619 1.00 48.10 ? 211 PHE L CD2 1 ATOM 6030 C CE1 . PHE C 3 205 ? 26.536 1.376 -61.040 1.00 53.16 ? 211 PHE L CE1 1 ATOM 6031 C CE2 . PHE C 3 205 ? 24.313 2.223 -61.286 1.00 47.44 ? 211 PHE L CE2 1 ATOM 6032 C CZ . PHE C 3 205 ? 25.422 1.982 -60.496 1.00 51.72 ? 211 PHE L CZ 1 ATOM 6033 N N . ASN C 3 206 ? 26.951 -1.969 -64.561 1.00 55.11 ? 212 ASN L N 1 ATOM 6034 C CA . ASN C 3 206 ? 27.888 -2.763 -63.779 1.00 61.95 ? 212 ASN L CA 1 ATOM 6035 C C . ASN C 3 206 ? 28.950 -1.872 -63.143 1.00 58.82 ? 212 ASN L C 1 ATOM 6036 O O . ASN C 3 206 ? 29.519 -1.004 -63.806 1.00 63.12 ? 212 ASN L O 1 ATOM 6037 C CB . ASN C 3 206 ? 28.541 -3.838 -64.649 1.00 60.36 ? 212 ASN L CB 1 ATOM 6038 C CG . ASN C 3 206 ? 27.546 -4.871 -65.139 1.00 70.60 ? 212 ASN L CG 1 ATOM 6039 O OD1 . ASN C 3 206 ? 26.515 -5.104 -64.508 1.00 71.17 ? 212 ASN L OD1 1 ATOM 6040 N ND2 . ASN C 3 206 ? 27.851 -5.498 -66.268 1.00 84.86 ? 212 ASN L ND2 1 ATOM 6041 N N . ARG C 3 207 ? 29.207 -2.086 -61.855 1.00 56.36 ? 213 ARG L N 1 ATOM 6042 C CA . ARG C 3 207 ? 30.147 -1.257 -61.106 1.00 62.32 ? 213 ARG L CA 1 ATOM 6043 C C . ARG C 3 207 ? 31.567 -1.374 -61.648 1.00 67.39 ? 213 ARG L C 1 ATOM 6044 O O . ARG C 3 207 ? 32.046 -2.472 -61.927 1.00 71.74 ? 213 ARG L O 1 ATOM 6045 C CB . ARG C 3 207 ? 30.132 -1.636 -59.622 1.00 69.34 ? 213 ARG L CB 1 ATOM 6046 C CG . ARG C 3 207 ? 30.870 -0.652 -58.726 1.00 67.76 ? 213 ARG L CG 1 ATOM 6047 C CD . ARG C 3 207 ? 31.126 -1.225 -57.335 1.00 68.22 ? 213 ARG L CD 1 ATOM 6048 N NE . ARG C 3 207 ? 32.355 -2.012 -57.278 1.00 71.79 ? 213 ARG L NE 1 ATOM 6049 C CZ . ARG C 3 207 ? 32.396 -3.338 -57.204 1.00 77.01 ? 213 ARG L CZ 1 ATOM 6050 N NH1 . ARG C 3 207 ? 31.271 -4.038 -57.168 1.00 76.75 ? 213 ARG L NH1 1 ATOM 6051 N NH2 . ARG C 3 207 ? 33.562 -3.966 -57.159 1.00 86.31 ? 213 ARG L NH2 1 ATOM 6052 N N . GLY C 3 208 ? 32.235 -0.235 -61.792 1.00 74.42 ? 214 GLY L N 1 ATOM 6053 C CA . GLY C 3 208 ? 33.620 -0.216 -62.225 1.00 88.19 ? 214 GLY L CA 1 ATOM 6054 C C . GLY C 3 208 ? 33.795 0.035 -63.709 1.00 100.12 ? 214 GLY L C 1 ATOM 6055 O O . GLY C 3 208 ? 34.569 0.903 -64.112 1.00 108.65 ? 214 GLY L O 1 ATOM 6056 N N . GLU C 3 209 ? 33.077 -0.727 -64.527 1.00 99.05 ? 215 GLU L N 1 ATOM 6057 C CA . GLU C 3 209 ? 33.204 -0.609 -65.974 1.00 104.34 ? 215 GLU L CA 1 ATOM 6058 C C . GLU C 3 209 ? 32.346 0.528 -66.519 1.00 105.16 ? 215 GLU L C 1 ATOM 6059 O O . GLU C 3 209 ? 31.240 0.774 -66.039 1.00 102.11 ? 215 GLU L O 1 ATOM 6060 C CB . GLU C 3 209 ? 32.831 -1.930 -66.651 1.00 108.61 ? 215 GLU L CB 1 ATOM 6061 C CG . GLU C 3 209 ? 31.434 -2.428 -66.330 1.00 107.14 ? 215 GLU L CG 1 ATOM 6062 C CD . GLU C 3 209 ? 31.172 -3.815 -66.883 1.00 107.14 ? 215 GLU L CD 1 ATOM 6063 O OE1 . GLU C 3 209 ? 31.915 -4.751 -66.519 1.00 100.57 ? 215 GLU L OE1 1 ATOM 6064 O OE2 . GLU C 3 209 ? 30.224 -3.968 -67.682 1.00 112.61 ? 215 GLU L OE2 1 ATOM 6065 N N . CYS C 3 210 ? 32.872 1.222 -67.523 1.00 111.28 ? 216 CYS L N 1 ATOM 6066 C CA . CYS C 3 210 ? 32.168 2.341 -68.135 1.00 118.35 ? 216 CYS L CA 1 ATOM 6067 C C . CYS C 3 210 ? 31.601 1.944 -69.494 1.00 125.98 ? 216 CYS L C 1 ATOM 6068 O O . CYS C 3 210 ? 30.701 2.595 -70.025 1.00 129.74 ? 216 CYS L O 1 ATOM 6069 C CB . CYS C 3 210 ? 33.103 3.545 -68.278 1.00 121.27 ? 216 CYS L CB 1 ATOM 6070 S SG . CYS C 3 210 ? 32.299 5.069 -68.831 1.00 165.01 ? 216 CYS L SG 1 ATOM 6071 O OXT . CYS C 3 210 ? 32.028 0.958 -70.094 1.00 127.60 ? 216 CYS L OXT 1 HETATM 6072 C C1 . NAG D 4 . ? -22.454 -7.674 -21.398 1.00 50.18 ? 501 NAG G C1 1 HETATM 6073 C C2 . NAG D 4 . ? -21.224 -7.326 -22.229 1.00 55.72 ? 501 NAG G C2 1 HETATM 6074 C C3 . NAG D 4 . ? -21.633 -6.947 -23.649 1.00 64.88 ? 501 NAG G C3 1 HETATM 6075 C C4 . NAG D 4 . ? -22.517 -8.032 -24.253 1.00 71.38 ? 501 NAG G C4 1 HETATM 6076 C C5 . NAG D 4 . ? -23.683 -8.336 -23.316 1.00 67.67 ? 501 NAG G C5 1 HETATM 6077 C C6 . NAG D 4 . ? -24.559 -9.467 -23.801 1.00 65.08 ? 501 NAG G C6 1 HETATM 6078 C C7 . NAG D 4 . ? -19.396 -6.453 -20.841 1.00 52.75 ? 501 NAG G C7 1 HETATM 6079 C C8 . NAG D 4 . ? -18.752 -5.226 -20.262 1.00 44.34 ? 501 NAG G C8 1 HETATM 6080 N N2 . NAG D 4 . ? -20.475 -6.246 -21.603 1.00 47.37 ? 501 NAG G N2 1 HETATM 6081 O O3 . NAG D 4 . ? -20.466 -6.770 -24.443 1.00 64.36 ? 501 NAG G O3 1 HETATM 6082 O O4 . NAG D 4 . ? -23.022 -7.612 -25.514 1.00 77.06 ? 501 NAG G O4 1 HETATM 6083 O O5 . NAG D 4 . ? -23.177 -8.721 -22.030 1.00 59.21 ? 501 NAG G O5 1 HETATM 6084 O O6 . NAG D 4 . ? -23.789 -10.622 -24.106 1.00 66.42 ? 501 NAG G O6 1 HETATM 6085 O O7 . NAG D 4 . ? -18.954 -7.578 -20.632 1.00 50.89 ? 501 NAG G O7 1 HETATM 6086 C C1 . NAG E 4 . ? -34.651 -16.085 -10.417 1.00 99.88 ? 502 NAG G C1 1 HETATM 6087 C C2 . NAG E 4 . ? -33.823 -17.288 -9.931 1.00 115.25 ? 502 NAG G C2 1 HETATM 6088 C C3 . NAG E 4 . ? -34.055 -17.550 -8.441 1.00 119.55 ? 502 NAG G C3 1 HETATM 6089 C C4 . NAG E 4 . ? -33.850 -16.280 -7.631 1.00 119.53 ? 502 NAG G C4 1 HETATM 6090 C C5 . NAG E 4 . ? -34.772 -15.199 -8.171 1.00 119.00 ? 502 NAG G C5 1 HETATM 6091 C C6 . NAG E 4 . ? -34.627 -13.878 -7.451 1.00 124.31 ? 502 NAG G C6 1 HETATM 6092 C C7 . NAG E 4 . ? -33.539 -18.781 -11.868 1.00 122.74 ? 502 NAG G C7 1 HETATM 6093 C C8 . NAG E 4 . ? -33.990 -20.051 -12.523 1.00 115.03 ? 502 NAG G C8 1 HETATM 6094 N N2 . NAG E 4 . ? -34.133 -18.477 -10.707 1.00 121.86 ? 502 NAG G N2 1 HETATM 6095 O O3 . NAG E 4 . ? -33.146 -18.553 -7.999 1.00 119.69 ? 502 NAG G O3 1 HETATM 6096 O O4 . NAG E 4 . ? -34.134 -16.514 -6.256 1.00 116.43 ? 502 NAG G O4 1 HETATM 6097 O O5 . NAG E 4 . ? -34.445 -14.963 -9.546 1.00 111.01 ? 502 NAG G O5 1 HETATM 6098 O O6 . NAG E 4 . ? -33.329 -13.327 -7.630 1.00 128.03 ? 502 NAG G O6 1 HETATM 6099 O O7 . NAG E 4 . ? -32.679 -18.061 -12.366 1.00 127.35 ? 502 NAG G O7 1 HETATM 6100 C C1 . NAG F 4 . ? -21.151 2.793 6.038 1.00 48.14 ? 503 NAG G C1 1 HETATM 6101 C C2 . NAG F 4 . ? -20.819 4.241 6.397 1.00 49.84 ? 503 NAG G C2 1 HETATM 6102 C C3 . NAG F 4 . ? -20.341 4.329 7.843 1.00 52.69 ? 503 NAG G C3 1 HETATM 6103 C C4 . NAG F 4 . ? -21.374 3.715 8.778 1.00 56.41 ? 503 NAG G C4 1 HETATM 6104 C C5 . NAG F 4 . ? -21.679 2.286 8.347 1.00 56.47 ? 503 NAG G C5 1 HETATM 6105 C C6 . NAG F 4 . ? -22.790 1.662 9.158 1.00 48.04 ? 503 NAG G C6 1 HETATM 6106 C C7 . NAG F 4 . ? -20.028 5.877 4.745 1.00 47.31 ? 503 NAG G C7 1 HETATM 6107 C C8 . NAG F 4 . ? -18.876 6.316 3.891 1.00 44.07 ? 503 NAG G C8 1 HETATM 6108 N N2 . NAG F 4 . ? -19.817 4.795 5.501 1.00 41.52 ? 503 NAG G N2 1 HETATM 6109 O O3 . NAG F 4 . ? -20.112 5.690 8.189 1.00 52.12 ? 503 NAG G O3 1 HETATM 6110 O O4 . NAG F 4 . ? -20.881 3.703 10.113 1.00 55.67 ? 503 NAG G O4 1 HETATM 6111 O O5 . NAG F 4 . ? -22.107 2.269 6.976 1.00 58.45 ? 503 NAG G O5 1 HETATM 6112 O O6 . NAG F 4 . ? -23.481 0.664 8.418 1.00 59.84 ? 503 NAG G O6 1 HETATM 6113 O O7 . NAG F 4 . ? -21.103 6.469 4.741 1.00 43.82 ? 503 NAG G O7 1 HETATM 6114 C C1 . NAG G 4 . ? -20.525 0.168 -28.183 1.00 79.31 ? 504 NAG G C1 1 HETATM 6115 C C2 . NAG G 4 . ? -22.042 -0.026 -28.076 1.00 90.45 ? 504 NAG G C2 1 HETATM 6116 C C3 . NAG G 4 . ? -22.623 -0.463 -29.420 1.00 95.67 ? 504 NAG G C3 1 HETATM 6117 C C4 . NAG G 4 . ? -22.188 0.484 -30.530 1.00 99.90 ? 504 NAG G C4 1 HETATM 6118 C C5 . NAG G 4 . ? -20.670 0.603 -30.539 1.00 95.98 ? 504 NAG G C5 1 HETATM 6119 C C6 . NAG G 4 . ? -20.157 1.599 -31.553 1.00 100.79 ? 504 NAG G C6 1 HETATM 6120 C C7 . NAG G 4 . ? -23.181 -0.738 -26.015 1.00 95.09 ? 504 NAG G C7 1 HETATM 6121 C C8 . NAG G 4 . ? -23.405 -1.867 -25.054 1.00 94.96 ? 504 NAG G C8 1 HETATM 6122 N N2 . NAG G 4 . ? -22.367 -0.999 -27.045 1.00 96.12 ? 504 NAG G N2 1 HETATM 6123 O O3 . NAG G 4 . ? -24.043 -0.486 -29.331 1.00 95.22 ? 504 NAG G O3 1 HETATM 6124 O O4 . NAG G 4 . ? -22.630 -0.005 -31.790 1.00 105.32 ? 504 NAG G O4 1 HETATM 6125 O O5 . NAG G 4 . ? -20.228 1.060 -29.255 1.00 83.55 ? 504 NAG G O5 1 HETATM 6126 O O6 . NAG G 4 . ? -18.884 2.109 -31.181 1.00 104.92 ? 504 NAG G O6 1 HETATM 6127 O O7 . NAG G 4 . ? -23.709 0.360 -25.866 1.00 91.48 ? 504 NAG G O7 1 HETATM 6128 C C1 . NAG H 4 . ? -15.748 -13.966 -6.579 1.00 47.91 ? 505 NAG G C1 1 HETATM 6129 C C2 . NAG H 4 . ? -15.759 -15.341 -5.903 1.00 61.02 ? 505 NAG G C2 1 HETATM 6130 C C3 . NAG H 4 . ? -14.505 -16.129 -6.273 1.00 67.23 ? 505 NAG G C3 1 HETATM 6131 C C4 . NAG H 4 . ? -14.341 -16.196 -7.785 1.00 66.29 ? 505 NAG G C4 1 HETATM 6132 C C5 . NAG H 4 . ? -14.365 -14.792 -8.377 1.00 64.79 ? 505 NAG G C5 1 HETATM 6133 C C6 . NAG H 4 . ? -14.331 -14.793 -9.888 1.00 62.47 ? 505 NAG G C6 1 HETATM 6134 C C7 . NAG H 4 . ? -16.977 -15.520 -3.775 1.00 69.74 ? 505 NAG G C7 1 HETATM 6135 C C8 . NAG H 4 . ? -18.140 -16.008 -4.588 1.00 61.74 ? 505 NAG G C8 1 HETATM 6136 N N2 . NAG H 4 . ? -15.869 -15.213 -4.458 1.00 63.28 ? 505 NAG G N2 1 HETATM 6137 O O3 . NAG H 4 . ? -14.600 -17.447 -5.743 1.00 75.96 ? 505 NAG G O3 1 HETATM 6138 O O4 . NAG H 4 . ? -13.104 -16.819 -8.109 1.00 66.43 ? 505 NAG G O4 1 HETATM 6139 O O5 . NAG H 4 . ? -15.576 -14.126 -7.993 1.00 57.75 ? 505 NAG G O5 1 HETATM 6140 O O6 . NAG H 4 . ? -14.491 -13.484 -10.417 1.00 60.64 ? 505 NAG G O6 1 HETATM 6141 O O7 . NAG H 4 . ? -17.039 -15.404 -2.555 1.00 78.12 ? 505 NAG G O7 1 HETATM 6142 C C1 . NAG I 4 . ? -10.611 1.182 13.376 1.00 47.25 ? 506 NAG G C1 1 HETATM 6143 C C2 . NAG I 4 . ? -10.924 0.022 14.327 1.00 55.91 ? 506 NAG G C2 1 HETATM 6144 C C3 . NAG I 4 . ? -10.794 0.467 15.785 1.00 66.17 ? 506 NAG G C3 1 HETATM 6145 C C4 . NAG I 4 . ? -9.454 1.147 16.029 1.00 75.11 ? 506 NAG G C4 1 HETATM 6146 C C5 . NAG I 4 . ? -9.267 2.280 15.029 1.00 71.29 ? 506 NAG G C5 1 HETATM 6147 C C6 . NAG I 4 . ? -7.927 2.967 15.152 1.00 68.18 ? 506 NAG G C6 1 HETATM 6148 C C7 . NAG I 4 . ? -12.484 -1.737 13.617 1.00 54.77 ? 506 NAG G C7 1 HETATM 6149 C C8 . NAG I 4 . ? -13.923 -2.111 13.424 1.00 53.88 ? 506 NAG G C8 1 HETATM 6150 N N2 . NAG I 4 . ? -12.257 -0.505 14.078 1.00 53.65 ? 506 NAG G N2 1 HETATM 6151 O O3 . NAG I 4 . ? -10.919 -0.669 16.631 1.00 66.25 ? 506 NAG G O3 1 HETATM 6152 O O4 . NAG I 4 . ? -9.405 1.672 17.351 1.00 83.66 ? 506 NAG G O4 1 HETATM 6153 O O5 . NAG I 4 . ? -9.340 1.745 13.701 1.00 63.70 ? 506 NAG G O5 1 HETATM 6154 O O6 . NAG I 4 . ? -6.950 2.355 14.322 1.00 67.08 ? 506 NAG G O6 1 HETATM 6155 O O7 . NAG I 4 . ? -11.571 -2.517 13.363 1.00 61.09 ? 506 NAG G O7 1 HETATM 6156 C C1 . NAG J 4 . ? -6.497 -10.077 7.545 1.00 78.46 ? 507 NAG G C1 1 HETATM 6157 C C2 . NAG J 4 . ? -6.042 -10.300 8.994 1.00 90.94 ? 507 NAG G C2 1 HETATM 6158 C C3 . NAG J 4 . ? -5.716 -11.776 9.239 1.00 97.56 ? 507 NAG G C3 1 HETATM 6159 C C4 . NAG J 4 . ? -6.864 -12.670 8.786 1.00 98.72 ? 507 NAG G C4 1 HETATM 6160 C C5 . NAG J 4 . ? -7.197 -12.366 7.334 1.00 94.87 ? 507 NAG G C5 1 HETATM 6161 C C6 . NAG J 4 . ? -8.373 -13.160 6.815 1.00 94.96 ? 507 NAG G C6 1 HETATM 6162 C C7 . NAG J 4 . ? -4.832 -8.642 10.347 1.00 95.31 ? 507 NAG G C7 1 HETATM 6163 C C8 . NAG J 4 . ? -3.556 -7.867 10.505 1.00 95.85 ? 507 NAG G C8 1 HETATM 6164 N N2 . NAG J 4 . ? -4.887 -9.470 9.302 1.00 95.23 ? 507 NAG G N2 1 HETATM 6165 O O3 . NAG J 4 . ? -5.467 -11.980 10.625 1.00 99.94 ? 507 NAG G O3 1 HETATM 6166 O O4 . NAG J 4 . ? -6.502 -14.040 8.909 1.00 100.42 ? 507 NAG G O4 1 HETATM 6167 O O5 . NAG J 4 . ? -7.553 -10.982 7.221 1.00 91.43 ? 507 NAG G O5 1 HETATM 6168 O O6 . NAG J 4 . ? -8.689 -12.800 5.477 1.00 98.40 ? 507 NAG G O6 1 HETATM 6169 O O7 . NAG J 4 . ? -5.768 -8.517 11.132 1.00 90.87 ? 507 NAG G O7 1 HETATM 6170 C C1 . NAG K 4 . ? 0.102 9.677 -2.650 1.00 55.58 ? 508 NAG G C1 1 HETATM 6171 C C2 . NAG K 4 . ? 0.498 10.963 -3.376 1.00 73.36 ? 508 NAG G C2 1 HETATM 6172 C C3 . NAG K 4 . ? 1.769 10.743 -4.196 1.00 78.79 ? 508 NAG G C3 1 HETATM 6173 C C4 . NAG K 4 . ? 2.871 10.140 -3.334 1.00 77.33 ? 508 NAG G C4 1 HETATM 6174 C C5 . NAG K 4 . ? 2.362 8.881 -2.644 1.00 77.53 ? 508 NAG G C5 1 HETATM 6175 C C6 . NAG K 4 . ? 3.358 8.296 -1.670 1.00 85.14 ? 508 NAG G C6 1 HETATM 6176 C C7 . NAG K 4 . ? -1.204 12.598 -4.059 1.00 82.62 ? 508 NAG G C7 1 HETATM 6177 C C8 . NAG K 4 . ? -2.292 12.914 -5.042 1.00 81.80 ? 508 NAG G C8 1 HETATM 6178 N N2 . NAG K 4 . ? -0.581 11.428 -4.233 1.00 79.37 ? 508 NAG G N2 1 HETATM 6179 O O3 . NAG K 4 . ? 2.201 11.988 -4.733 1.00 88.11 ? 508 NAG G O3 1 HETATM 6180 O O4 . NAG K 4 . ? 3.994 9.807 -4.142 1.00 77.30 ? 508 NAG G O4 1 HETATM 6181 O O5 . NAG K 4 . ? 1.193 9.203 -1.882 1.00 69.55 ? 508 NAG G O5 1 HETATM 6182 O O6 . NAG K 4 . ? 4.352 7.529 -2.335 1.00 91.91 ? 508 NAG G O6 1 HETATM 6183 O O7 . NAG K 4 . ? -0.905 13.367 -3.150 1.00 81.63 ? 508 NAG G O7 1 HETATM 6184 C C1 . NAG L 4 . ? 3.985 -2.567 -2.532 1.00 85.56 ? 509 NAG G C1 1 HETATM 6185 C C2 . NAG L 4 . ? 4.426 -1.207 -1.982 1.00 99.81 ? 509 NAG G C2 1 HETATM 6186 C C3 . NAG L 4 . ? 5.941 -1.186 -1.765 1.00 104.55 ? 509 NAG G C3 1 HETATM 6187 C C4 . NAG L 4 . ? 6.378 -2.376 -0.923 1.00 100.46 ? 509 NAG G C4 1 HETATM 6188 C C5 . NAG L 4 . ? 5.872 -3.666 -1.558 1.00 101.22 ? 509 NAG G C5 1 HETATM 6189 C C6 . NAG L 4 . ? 6.212 -4.901 -0.755 1.00 100.41 ? 509 NAG G C6 1 HETATM 6190 C C7 . NAG L 4 . ? 3.518 1.030 -2.478 1.00 111.32 ? 509 NAG G C7 1 HETATM 6191 C C8 . NAG L 4 . ? 3.380 1.213 -0.995 1.00 110.18 ? 509 NAG G C8 1 HETATM 6192 N N2 . NAG L 4 . ? 4.023 -0.139 -2.885 1.00 106.44 ? 509 NAG G N2 1 HETATM 6193 O O3 . NAG L 4 . ? 6.316 0.026 -1.119 1.00 107.85 ? 509 NAG G O3 1 HETATM 6194 O O4 . NAG L 4 . ? 7.798 -2.416 -0.831 1.00 96.57 ? 509 NAG G O4 1 HETATM 6195 O O5 . NAG L 4 . ? 4.443 -3.611 -1.663 1.00 98.90 ? 509 NAG G O5 1 HETATM 6196 O O6 . NAG L 4 . ? 5.300 -5.095 0.317 1.00 101.22 ? 509 NAG G O6 1 HETATM 6197 O O7 . NAG L 4 . ? 3.186 1.905 -3.272 1.00 114.75 ? 509 NAG G O7 1 HETATM 6198 C C1 . NAG M 4 . ? -20.817 -4.831 5.146 1.00 78.18 ? 510 NAG G C1 1 HETATM 6199 C C2 . NAG M 4 . ? -22.301 -4.581 5.405 1.00 87.93 ? 510 NAG G C2 1 HETATM 6200 C C3 . NAG M 4 . ? -22.841 -5.593 6.414 1.00 96.69 ? 510 NAG G C3 1 HETATM 6201 C C4 . NAG M 4 . ? -22.519 -7.014 5.969 1.00 99.35 ? 510 NAG G C4 1 HETATM 6202 C C5 . NAG M 4 . ? -21.025 -7.151 5.697 1.00 97.11 ? 510 NAG G C5 1 HETATM 6203 C C6 . NAG M 4 . ? -20.648 -8.499 5.128 1.00 99.36 ? 510 NAG G C6 1 HETATM 6204 C C7 . NAG M 4 . ? -23.486 -2.422 5.396 1.00 94.56 ? 510 NAG G C7 1 HETATM 6205 C C8 . NAG M 4 . ? -24.367 -3.007 4.331 1.00 95.08 ? 510 NAG G C8 1 HETATM 6206 N N2 . NAG M 4 . ? -22.524 -3.221 5.871 1.00 90.08 ? 510 NAG G N2 1 HETATM 6207 O O3 . NAG M 4 . ? -24.250 -5.432 6.536 1.00 100.96 ? 510 NAG G O3 1 HETATM 6208 O O4 . NAG M 4 . ? -22.899 -7.942 6.977 1.00 104.40 ? 510 NAG G O4 1 HETATM 6209 O O5 . NAG M 4 . ? -20.623 -6.174 4.728 1.00 90.14 ? 510 NAG G O5 1 HETATM 6210 O O6 . NAG M 4 . ? -20.256 -8.391 3.766 1.00 97.45 ? 510 NAG G O6 1 HETATM 6211 O O7 . NAG M 4 . ? -23.642 -1.277 5.809 1.00 99.41 ? 510 NAG G O7 1 HETATM 6212 O O . HOH N 5 . ? -19.428 3.042 -18.927 1.00 33.37 ? 601 HOH G O 1 HETATM 6213 O O . HOH N 5 . ? -7.823 11.424 -14.136 1.00 32.73 ? 602 HOH G O 1 HETATM 6214 O O . HOH N 5 . ? -3.869 8.645 -18.354 1.00 39.17 ? 603 HOH G O 1 HETATM 6215 O O . HOH N 5 . ? -23.364 4.920 4.211 1.00 41.86 ? 604 HOH G O 1 HETATM 6216 O O . HOH N 5 . ? -17.562 8.977 -8.213 1.00 40.94 ? 605 HOH G O 1 HETATM 6217 O O . HOH N 5 . ? -19.851 4.879 -2.618 1.00 41.96 ? 606 HOH G O 1 HETATM 6218 O O . HOH N 5 . ? -6.808 5.775 -17.389 1.00 35.71 ? 607 HOH G O 1 HETATM 6219 O O . HOH N 5 . ? -1.661 15.247 -15.302 1.00 36.13 ? 608 HOH G O 1 HETATM 6220 O O . HOH N 5 . ? -11.942 3.833 -19.549 1.00 35.23 ? 609 HOH G O 1 HETATM 6221 O O . HOH N 5 . ? -17.683 19.774 6.652 1.00 48.10 ? 610 HOH G O 1 HETATM 6222 O O . HOH N 5 . ? -22.377 4.926 -3.973 1.00 40.86 ? 611 HOH G O 1 HETATM 6223 O O . HOH N 5 . ? -14.840 18.888 6.200 1.00 47.11 ? 612 HOH G O 1 HETATM 6224 O O . HOH N 5 . ? -14.950 1.413 -21.001 1.00 43.09 ? 613 HOH G O 1 HETATM 6225 O O . HOH N 5 . ? -22.457 10.396 1.248 1.00 39.13 ? 614 HOH G O 1 HETATM 6226 O O . HOH N 5 . ? -13.873 20.174 8.613 1.00 49.13 ? 615 HOH G O 1 HETATM 6227 O O . HOH N 5 . ? -1.380 1.771 -8.622 1.00 57.45 ? 616 HOH G O 1 HETATM 6228 O O . HOH N 5 . ? -24.801 4.755 6.492 1.00 40.05 ? 617 HOH G O 1 HETATM 6229 O O . HOH N 5 . ? -24.823 11.242 0.966 1.00 43.87 ? 618 HOH G O 1 HETATM 6230 O O . HOH N 5 . ? -22.302 -2.947 -18.434 1.00 41.64 ? 619 HOH G O 1 HETATM 6231 O O . HOH N 5 . ? -31.820 17.468 5.566 1.00 47.89 ? 620 HOH G O 1 HETATM 6232 O O . HOH N 5 . ? -13.530 5.206 3.092 1.00 41.04 ? 621 HOH G O 1 HETATM 6233 O O . HOH N 5 . ? -33.505 -3.274 0.815 1.00 43.68 ? 622 HOH G O 1 HETATM 6234 O O . HOH N 5 . ? -21.000 -1.712 -4.981 1.00 43.33 ? 623 HOH G O 1 HETATM 6235 O O . HOH N 5 . ? -11.584 -13.582 -11.015 1.00 50.23 ? 624 HOH G O 1 HETATM 6236 O O . HOH N 5 . ? -34.730 4.959 -19.043 1.00 50.57 ? 625 HOH G O 1 HETATM 6237 O O . HOH N 5 . ? -25.416 2.334 -1.896 1.00 49.75 ? 626 HOH G O 1 HETATM 6238 O O . HOH N 5 . ? -22.399 0.381 -5.162 1.00 43.93 ? 627 HOH G O 1 HETATM 6239 O O . HOH N 5 . ? -17.548 17.463 -3.194 1.00 45.93 ? 628 HOH G O 1 HETATM 6240 O O . HOH N 5 . ? -31.235 6.267 10.946 1.00 53.32 ? 629 HOH G O 1 HETATM 6241 O O . HOH N 5 . ? -12.074 1.344 -21.242 1.00 42.27 ? 630 HOH G O 1 HETATM 6242 O O . HOH N 5 . ? -6.503 20.100 -11.055 1.00 47.43 ? 631 HOH G O 1 HETATM 6243 O O . HOH N 5 . ? -22.021 -2.884 2.130 1.00 44.34 ? 632 HOH G O 1 HETATM 6244 O O . HOH N 5 . ? -20.856 9.121 3.506 1.00 46.83 ? 633 HOH G O 1 HETATM 6245 O O . HOH N 5 . ? -3.872 5.983 -6.534 1.00 47.14 ? 634 HOH G O 1 HETATM 6246 O O . HOH N 5 . ? -22.441 -2.517 -9.806 1.00 43.73 ? 635 HOH G O 1 HETATM 6247 O O . HOH N 5 . ? -27.680 -11.932 -18.217 1.00 52.65 ? 636 HOH G O 1 HETATM 6248 O O . HOH N 5 . ? -34.825 3.492 5.210 1.00 48.89 ? 637 HOH G O 1 HETATM 6249 O O . HOH N 5 . ? -18.739 3.070 11.238 1.00 49.37 ? 638 HOH G O 1 HETATM 6250 O O . HOH N 5 . ? -28.186 5.875 -16.529 1.00 52.24 ? 639 HOH G O 1 HETATM 6251 O O . HOH N 5 . ? -4.537 8.861 -4.294 1.00 46.94 ? 640 HOH G O 1 HETATM 6252 O O . HOH N 5 . ? -28.386 11.969 15.157 1.00 61.37 ? 641 HOH G O 1 HETATM 6253 O O . HOH N 5 . ? -13.808 -11.941 -3.914 1.00 52.79 ? 642 HOH G O 1 HETATM 6254 O O . HOH N 5 . ? -6.408 9.224 -14.203 1.00 34.99 ? 643 HOH G O 1 HETATM 6255 O O . HOH N 5 . ? -21.292 18.752 9.901 1.00 48.25 ? 644 HOH G O 1 HETATM 6256 O O . HOH N 5 . ? -10.039 20.399 -3.358 1.00 51.54 ? 645 HOH G O 1 HETATM 6257 O O . HOH N 5 . ? -12.815 -6.933 5.598 1.00 59.02 ? 646 HOH G O 1 HETATM 6258 O O . HOH N 5 . ? -9.215 3.702 11.582 1.00 65.05 ? 647 HOH G O 1 HETATM 6259 O O . HOH N 5 . ? -22.125 -4.037 -21.284 1.00 52.64 ? 648 HOH G O 1 HETATM 6260 O O . HOH N 5 . ? -19.268 9.562 1.660 1.00 46.69 ? 649 HOH G O 1 HETATM 6261 O O . HOH N 5 . ? -22.713 13.150 11.907 1.00 56.81 ? 650 HOH G O 1 HETATM 6262 O O . HOH N 5 . ? -35.450 13.845 -13.131 1.00 55.07 ? 651 HOH G O 1 HETATM 6263 O O . HOH N 5 . ? -25.270 -12.569 -19.192 1.00 54.71 ? 652 HOH G O 1 HETATM 6264 O O . HOH N 5 . ? -25.310 -10.399 -8.920 1.00 52.43 ? 653 HOH G O 1 HETATM 6265 O O . HOH N 5 . ? -25.538 2.390 -24.585 1.00 59.65 ? 654 HOH G O 1 HETATM 6266 O O . HOH N 5 . ? -24.778 -7.382 -0.560 1.00 55.44 ? 655 HOH G O 1 HETATM 6267 O O . HOH N 5 . ? -8.716 -14.965 -16.080 1.00 58.08 ? 656 HOH G O 1 HETATM 6268 O O . HOH N 5 . ? -24.938 -10.050 -19.019 1.00 44.80 ? 657 HOH G O 1 HETATM 6269 O O . HOH N 5 . ? -21.866 -11.841 -9.533 1.00 43.07 ? 658 HOH G O 1 HETATM 6270 O O . HOH N 5 . ? -32.557 18.635 -7.409 1.00 51.99 ? 659 HOH G O 1 HETATM 6271 O O . HOH N 5 . ? 7.494 -7.934 -2.036 1.00 61.68 ? 660 HOH G O 1 HETATM 6272 O O . HOH N 5 . ? -30.880 -0.824 -15.602 1.00 47.67 ? 661 HOH G O 1 HETATM 6273 O O . HOH N 5 . ? -26.232 -9.549 -20.591 1.00 50.58 ? 662 HOH G O 1 HETATM 6274 O O . HOH N 5 . ? -35.643 -5.786 -5.210 1.00 51.33 ? 663 HOH G O 1 HETATM 6275 O O . HOH N 5 . ? -39.924 7.735 4.736 1.00 57.05 ? 664 HOH G O 1 HETATM 6276 O O . HOH N 5 . ? -35.962 2.793 -16.507 1.00 50.32 ? 665 HOH G O 1 HETATM 6277 O O . HOH N 5 . ? 1.488 -0.996 -0.346 1.00 58.92 ? 666 HOH G O 1 HETATM 6278 O O . HOH N 5 . ? 0.137 -2.806 -0.528 1.00 68.47 ? 667 HOH G O 1 HETATM 6279 O O . HOH N 5 . ? -36.661 4.655 -16.155 1.00 68.51 ? 668 HOH G O 1 HETATM 6280 O O . HOH N 5 . ? -36.840 2.114 -18.904 1.00 62.49 ? 669 HOH G O 1 HETATM 6281 O O . HOH N 5 . ? -15.123 4.672 5.469 1.00 55.79 ? 670 HOH G O 1 HETATM 6282 O O . HOH N 5 . ? -2.785 2.161 11.397 1.00 57.72 ? 671 HOH G O 1 HETATM 6283 O O . HOH N 5 . ? -28.943 19.694 10.505 1.00 45.29 ? 672 HOH G O 1 HETATM 6284 O O . HOH N 5 . ? -32.498 -0.431 -18.244 1.00 53.69 ? 673 HOH G O 1 HETATM 6285 O O . HOH N 5 . ? -19.221 16.951 11.148 1.00 61.76 ? 674 HOH G O 1 HETATM 6286 O O . HOH N 5 . ? -26.974 0.510 -0.550 1.00 56.52 ? 675 HOH G O 1 HETATM 6287 O O . HOH N 5 . ? -33.174 0.905 -19.346 1.00 58.33 ? 676 HOH G O 1 HETATM 6288 O O . HOH N 5 . ? -4.852 18.390 -12.793 1.00 55.26 ? 677 HOH G O 1 HETATM 6289 O O . HOH N 5 . ? -10.391 10.077 -13.157 1.00 47.95 ? 678 HOH G O 1 HETATM 6290 O O . HOH O 5 . ? -15.668 20.811 -23.011 1.00 35.33 ? 301 HOH H O 1 HETATM 6291 O O . HOH O 5 . ? -14.339 25.475 -33.684 1.00 32.59 ? 302 HOH H O 1 HETATM 6292 O O . HOH O 5 . ? -0.009 28.629 -28.493 1.00 40.96 ? 303 HOH H O 1 HETATM 6293 O O . HOH O 5 . ? -20.203 13.035 -31.017 1.00 33.70 ? 304 HOH H O 1 HETATM 6294 O O . HOH O 5 . ? -15.900 15.420 -26.742 1.00 29.58 ? 305 HOH H O 1 HETATM 6295 O O . HOH O 5 . ? -15.671 8.581 -34.551 1.00 37.56 ? 306 HOH H O 1 HETATM 6296 O O . HOH O 5 . ? -3.140 7.774 -29.700 1.00 32.99 ? 307 HOH H O 1 HETATM 6297 O O . HOH O 5 . ? -16.388 17.252 -17.712 1.00 41.13 ? 308 HOH H O 1 HETATM 6298 O O . HOH O 5 . ? -13.644 15.952 -14.928 1.00 40.84 ? 309 HOH H O 1 HETATM 6299 O O . HOH O 5 . ? -7.202 21.137 -14.500 1.00 37.94 ? 310 HOH H O 1 HETATM 6300 O O . HOH O 5 . ? -22.048 11.254 -32.352 1.00 37.60 ? 311 HOH H O 1 HETATM 6301 O O . HOH O 5 . ? 13.233 16.973 -68.782 1.00 36.88 ? 312 HOH H O 1 HETATM 6302 O O . HOH O 5 . ? 1.390 9.371 -35.985 1.00 38.72 ? 313 HOH H O 1 HETATM 6303 O O . HOH O 5 . ? -16.344 19.431 -38.739 1.00 32.54 ? 314 HOH H O 1 HETATM 6304 O O . HOH O 5 . ? -19.829 24.540 -17.857 1.00 51.98 ? 315 HOH H O 1 HETATM 6305 O O . HOH O 5 . ? 11.187 20.058 -21.412 1.00 48.98 ? 316 HOH H O 1 HETATM 6306 O O . HOH O 5 . ? 14.890 25.016 -57.055 1.00 36.86 ? 317 HOH H O 1 HETATM 6307 O O . HOH O 5 . ? -6.459 20.506 -21.741 1.00 38.34 ? 318 HOH H O 1 HETATM 6308 O O . HOH O 5 . ? 17.710 29.593 -52.038 1.00 37.31 ? 319 HOH H O 1 HETATM 6309 O O . HOH O 5 . ? -21.180 7.699 -34.018 1.00 33.55 ? 320 HOH H O 1 HETATM 6310 O O . HOH O 5 . ? 19.669 28.180 -56.581 1.00 45.37 ? 321 HOH H O 1 HETATM 6311 O O . HOH O 5 . ? -2.563 29.059 -34.160 1.00 42.26 ? 322 HOH H O 1 HETATM 6312 O O . HOH O 5 . ? 29.090 20.568 -68.616 1.00 46.80 ? 323 HOH H O 1 HETATM 6313 O O . HOH O 5 . ? -6.424 8.262 -17.085 1.00 36.82 ? 324 HOH H O 1 HETATM 6314 O O . HOH O 5 . ? 17.589 27.383 -64.307 1.00 39.14 ? 325 HOH H O 1 HETATM 6315 O O . HOH O 5 . ? 29.537 18.932 -78.278 1.00 54.38 ? 326 HOH H O 1 HETATM 6316 O O . HOH O 5 . ? 32.558 22.322 -60.676 1.00 51.48 ? 327 HOH H O 1 HETATM 6317 O O . HOH O 5 . ? 13.306 22.279 -42.608 1.00 44.29 ? 328 HOH H O 1 HETATM 6318 O O . HOH O 5 . ? -6.504 18.389 -15.397 1.00 40.50 ? 329 HOH H O 1 HETATM 6319 O O . HOH O 5 . ? 17.710 28.507 -49.424 1.00 40.69 ? 330 HOH H O 1 HETATM 6320 O O . HOH O 5 . ? 22.492 11.669 -44.198 1.00 47.09 ? 331 HOH H O 1 HETATM 6321 O O . HOH O 5 . ? 26.176 29.145 -64.048 1.00 40.07 ? 332 HOH H O 1 HETATM 6322 O O . HOH O 5 . ? 5.129 27.459 -24.831 1.00 47.88 ? 333 HOH H O 1 HETATM 6323 O O . HOH O 5 . ? -1.068 12.066 -43.198 1.00 56.22 ? 334 HOH H O 1 HETATM 6324 O O . HOH O 5 . ? -4.153 31.220 -35.393 1.00 47.82 ? 335 HOH H O 1 HETATM 6325 O O . HOH O 5 . ? -0.925 19.145 -40.587 1.00 46.90 ? 336 HOH H O 1 HETATM 6326 O O . HOH O 5 . ? 31.533 25.418 -73.017 1.00 54.17 ? 337 HOH H O 1 HETATM 6327 O O . HOH O 5 . ? 14.406 28.198 -43.725 1.00 47.76 ? 338 HOH H O 1 HETATM 6328 O O . HOH O 5 . ? -19.444 26.827 -19.641 1.00 51.55 ? 339 HOH H O 1 HETATM 6329 O O . HOH O 5 . ? 12.652 21.166 -54.439 1.00 46.53 ? 340 HOH H O 1 HETATM 6330 O O . HOH O 5 . ? -15.714 6.428 -33.037 1.00 26.54 ? 341 HOH H O 1 HETATM 6331 O O . HOH O 5 . ? -18.986 30.844 -29.626 1.00 42.49 ? 342 HOH H O 1 HETATM 6332 O O . HOH O 5 . ? 21.590 15.342 -79.851 1.00 50.96 ? 343 HOH H O 1 HETATM 6333 O O . HOH O 5 . ? 11.132 12.873 -25.741 1.00 53.57 ? 344 HOH H O 1 HETATM 6334 O O . HOH O 5 . ? -22.387 24.793 -33.209 1.00 44.18 ? 345 HOH H O 1 HETATM 6335 O O . HOH O 5 . ? -17.645 8.520 -25.530 1.00 15.05 ? 346 HOH H O 1 HETATM 6336 O O . HOH O 5 . ? 0.589 13.165 -36.632 1.00 42.40 ? 347 HOH H O 1 HETATM 6337 O O . HOH O 5 . ? -0.746 30.739 -35.998 1.00 56.30 ? 348 HOH H O 1 HETATM 6338 O O . HOH O 5 . ? 11.464 20.531 -50.958 1.00 49.29 ? 349 HOH H O 1 HETATM 6339 O O . HOH O 5 . ? 1.147 15.609 -15.660 1.00 57.90 ? 350 HOH H O 1 HETATM 6340 O O . HOH O 5 . ? 25.304 25.610 -37.196 1.00 49.75 ? 351 HOH H O 1 HETATM 6341 O O . HOH O 5 . ? 4.330 9.395 -30.273 1.00 49.27 ? 352 HOH H O 1 HETATM 6342 O O . HOH O 5 . ? -1.548 7.312 -19.827 1.00 46.83 ? 353 HOH H O 1 HETATM 6343 O O . HOH O 5 . ? -24.054 22.405 -23.877 1.00 49.94 ? 354 HOH H O 1 HETATM 6344 O O . HOH O 5 . ? -24.278 20.433 -22.754 1.00 62.96 ? 355 HOH H O 1 HETATM 6345 O O . HOH O 5 . ? 14.676 14.600 -54.270 1.00 45.24 ? 356 HOH H O 1 HETATM 6346 O O . HOH O 5 . ? 11.222 25.384 -22.593 1.00 51.79 ? 357 HOH H O 1 HETATM 6347 O O . HOH O 5 . ? -0.988 17.204 -42.051 1.00 51.88 ? 358 HOH H O 1 HETATM 6348 O O . HOH O 5 . ? 28.958 30.162 -50.275 1.00 53.76 ? 359 HOH H O 1 HETATM 6349 O O . HOH O 5 . ? 29.084 19.269 -71.277 1.00 58.95 ? 360 HOH H O 1 HETATM 6350 O O . HOH O 5 . ? 0.119 13.782 -44.393 1.00 55.73 ? 361 HOH H O 1 HETATM 6351 O O . HOH O 5 . ? -24.172 28.099 -28.999 1.00 51.78 ? 362 HOH H O 1 HETATM 6352 O O . HOH O 5 . ? -23.522 7.567 -25.071 1.00 66.91 ? 363 HOH H O 1 HETATM 6353 O O . HOH O 5 . ? 15.325 31.634 -65.437 1.00 57.54 ? 364 HOH H O 1 HETATM 6354 O O . HOH O 5 . ? 2.017 13.905 -16.225 1.00 63.24 ? 365 HOH H O 1 HETATM 6355 O O . HOH O 5 . ? -14.897 22.748 -36.560 1.00 40.82 ? 366 HOH H O 1 HETATM 6356 O O . HOH O 5 . ? -11.542 33.524 -27.887 1.00 47.42 ? 367 HOH H O 1 HETATM 6357 O O . HOH O 5 . ? 15.306 13.777 -55.963 1.00 64.70 ? 368 HOH H O 1 HETATM 6358 O O . HOH O 5 . ? -1.492 21.699 -19.138 1.00 45.71 ? 369 HOH H O 1 HETATM 6359 O O . HOH O 5 . ? 10.631 18.473 -43.086 1.00 61.93 ? 370 HOH H O 1 HETATM 6360 O O . HOH O 5 . ? 27.224 28.132 -68.569 1.00 75.72 ? 371 HOH H O 1 HETATM 6361 O O . HOH O 5 . ? 27.190 29.246 -67.015 1.00 73.42 ? 372 HOH H O 1 HETATM 6362 O O . HOH O 5 . ? 12.665 22.358 -39.905 1.00 66.07 ? 373 HOH H O 1 HETATM 6363 O O . HOH O 5 . ? -1.388 14.137 -40.307 1.00 59.15 ? 374 HOH H O 1 HETATM 6364 O O . HOH O 5 . ? -7.294 31.675 -19.131 1.00 61.48 ? 375 HOH H O 1 HETATM 6365 O O . HOH O 5 . ? 5.814 14.984 -41.251 1.00 69.06 ? 376 HOH H O 1 HETATM 6366 O O . HOH O 5 . ? 18.209 25.519 -38.279 1.00 48.62 ? 377 HOH H O 1 HETATM 6367 O O . HOH O 5 . ? 23.432 37.755 -52.736 1.00 51.75 ? 378 HOH H O 1 HETATM 6368 O O . HOH O 5 . ? 23.611 5.752 -69.992 1.00 62.24 ? 379 HOH H O 1 HETATM 6369 O O . HOH O 5 . ? 25.571 5.747 -73.170 1.00 63.38 ? 380 HOH H O 1 HETATM 6370 O O . HOH O 5 . ? -8.195 32.218 -22.352 1.00 59.70 ? 381 HOH H O 1 HETATM 6371 O O . HOH O 5 . ? 23.407 5.333 -72.200 1.00 73.03 ? 382 HOH H O 1 HETATM 6372 O O . HOH O 5 . ? 13.776 22.237 -50.919 1.00 62.55 ? 383 HOH H O 1 HETATM 6373 O O . HOH O 5 . ? 14.686 24.362 -60.237 1.00 54.62 ? 384 HOH H O 1 HETATM 6374 O O . HOH O 5 . ? 7.609 30.826 -30.464 1.00 59.43 ? 385 HOH H O 1 HETATM 6375 O O . HOH O 5 . ? 22.381 27.491 -71.279 1.00 57.01 ? 386 HOH H O 1 HETATM 6376 O O . HOH O 5 . ? -13.197 33.807 -22.427 1.00 67.62 ? 387 HOH H O 1 HETATM 6377 O O . HOH O 5 . ? -28.164 19.848 -23.039 1.00 68.61 ? 388 HOH H O 1 HETATM 6378 O O . HOH O 5 . ? -24.270 27.571 -23.180 1.00 58.52 ? 389 HOH H O 1 HETATM 6379 O O . HOH O 5 . ? -14.092 30.066 -28.532 1.00 45.29 ? 390 HOH H O 1 HETATM 6380 O O . HOH O 5 . ? 20.245 30.303 -58.368 1.00 48.48 ? 391 HOH H O 1 HETATM 6381 O O . HOH O 5 . ? -22.145 5.822 -31.717 1.00 57.58 ? 392 HOH H O 1 HETATM 6382 O O . HOH O 5 . ? 10.348 12.992 -46.675 1.00 48.66 ? 393 HOH H O 1 HETATM 6383 O O . HOH O 5 . ? 15.813 27.188 -71.527 1.00 53.64 ? 394 HOH H O 1 HETATM 6384 O O . HOH O 5 . ? 25.047 31.904 -60.503 1.00 60.81 ? 395 HOH H O 1 HETATM 6385 O O . HOH O 5 . ? -20.339 30.667 -24.344 1.00 58.11 ? 396 HOH H O 1 HETATM 6386 O O . HOH O 5 . ? -28.947 19.850 -24.664 1.00 67.75 ? 397 HOH H O 1 HETATM 6387 O O . HOH O 5 . ? -10.661 26.541 -12.656 1.00 57.10 ? 398 HOH H O 1 HETATM 6388 O O . HOH O 5 . ? 0.974 8.479 -42.883 1.00 60.95 ? 399 HOH H O 1 HETATM 6389 O O . HOH O 5 . ? -22.422 29.619 -23.676 1.00 70.24 ? 400 HOH H O 1 HETATM 6390 O O . HOH O 5 . ? -21.227 29.195 -21.782 1.00 71.27 ? 401 HOH H O 1 HETATM 6391 O O . HOH P 5 . ? -18.222 7.550 -36.087 1.00 35.15 ? 301 HOH L O 1 HETATM 6392 O O . HOH P 5 . ? -10.660 21.077 -44.111 1.00 36.30 ? 302 HOH L O 1 HETATM 6393 O O . HOH P 5 . ? -17.730 4.246 -44.606 1.00 33.33 ? 303 HOH L O 1 HETATM 6394 O O . HOH P 5 . ? -10.967 3.810 -26.906 1.00 33.71 ? 304 HOH L O 1 HETATM 6395 O O . HOH P 5 . ? 6.310 17.624 -63.756 1.00 33.99 ? 305 HOH L O 1 HETATM 6396 O O . HOH P 5 . ? -23.536 7.812 -46.691 1.00 38.19 ? 306 HOH L O 1 HETATM 6397 O O . HOH P 5 . ? -7.989 2.011 -26.513 1.00 38.43 ? 307 HOH L O 1 HETATM 6398 O O . HOH P 5 . ? 8.970 -2.042 -61.358 1.00 42.05 ? 308 HOH L O 1 HETATM 6399 O O . HOH P 5 . ? -4.195 8.372 -32.293 1.00 33.50 ? 309 HOH L O 1 HETATM 6400 O O . HOH P 5 . ? -15.083 -7.129 -47.653 1.00 36.89 ? 310 HOH L O 1 HETATM 6401 O O . HOH P 5 . ? 14.976 10.475 -54.868 1.00 46.80 ? 311 HOH L O 1 HETATM 6402 O O . HOH P 5 . ? 2.693 15.000 -58.058 1.00 36.00 ? 312 HOH L O 1 HETATM 6403 O O . HOH P 5 . ? 4.498 23.126 -63.552 1.00 42.27 ? 313 HOH L O 1 HETATM 6404 O O . HOH P 5 . ? -5.061 19.219 -55.820 1.00 45.67 ? 314 HOH L O 1 HETATM 6405 O O . HOH P 5 . ? 27.058 10.711 -56.079 1.00 40.96 ? 315 HOH L O 1 HETATM 6406 O O . HOH P 5 . ? -19.409 2.575 -38.379 1.00 38.78 ? 316 HOH L O 1 HETATM 6407 O O . HOH P 5 . ? 12.569 -5.232 -67.269 1.00 39.07 ? 317 HOH L O 1 HETATM 6408 O O . HOH P 5 . ? -2.217 10.723 -63.402 1.00 39.93 ? 318 HOH L O 1 HETATM 6409 O O . HOH P 5 . ? -14.580 -5.753 -49.309 1.00 47.79 ? 319 HOH L O 1 HETATM 6410 O O . HOH P 5 . ? 20.386 -6.311 -60.051 1.00 49.20 ? 320 HOH L O 1 HETATM 6411 O O . HOH P 5 . ? -5.536 7.948 -59.199 1.00 34.09 ? 321 HOH L O 1 HETATM 6412 O O . HOH P 5 . ? 11.290 3.806 -52.442 1.00 54.42 ? 322 HOH L O 1 HETATM 6413 O O . HOH P 5 . ? 0.546 3.389 -64.758 1.00 37.32 ? 323 HOH L O 1 HETATM 6414 O O . HOH P 5 . ? -2.035 8.944 -57.949 1.00 51.19 ? 324 HOH L O 1 HETATM 6415 O O . HOH P 5 . ? 6.443 -8.124 -73.170 1.00 44.07 ? 325 HOH L O 1 HETATM 6416 O O . HOH P 5 . ? 1.006 -4.931 -71.082 1.00 41.62 ? 326 HOH L O 1 HETATM 6417 O O . HOH P 5 . ? 12.610 2.105 -48.943 1.00 44.53 ? 327 HOH L O 1 HETATM 6418 O O . HOH P 5 . ? 5.145 -1.745 -67.402 1.00 39.71 ? 328 HOH L O 1 HETATM 6419 O O . HOH P 5 . ? -20.643 18.498 -58.040 1.00 52.64 ? 329 HOH L O 1 HETATM 6420 O O . HOH P 5 . ? -4.906 17.671 -52.426 1.00 50.91 ? 330 HOH L O 1 HETATM 6421 O O . HOH P 5 . ? -13.859 21.842 -38.835 1.00 37.68 ? 331 HOH L O 1 HETATM 6422 O O . HOH P 5 . ? 14.692 -0.060 -51.745 1.00 43.60 ? 332 HOH L O 1 HETATM 6423 O O . HOH P 5 . ? -9.755 21.872 -52.242 1.00 47.56 ? 333 HOH L O 1 HETATM 6424 O O . HOH P 5 . ? -16.391 -1.195 -48.586 1.00 44.18 ? 334 HOH L O 1 HETATM 6425 O O . HOH P 5 . ? 27.188 11.289 -48.891 1.00 54.80 ? 335 HOH L O 1 HETATM 6426 O O . HOH P 5 . ? -7.992 -0.636 -47.022 1.00 43.71 ? 336 HOH L O 1 HETATM 6427 O O . HOH P 5 . ? 19.714 3.296 -46.977 1.00 48.79 ? 337 HOH L O 1 HETATM 6428 O O . HOH P 5 . ? -2.553 20.182 -40.065 1.00 46.26 ? 338 HOH L O 1 HETATM 6429 O O . HOH P 5 . ? -4.998 19.013 -47.728 1.00 53.35 ? 339 HOH L O 1 HETATM 6430 O O . HOH P 5 . ? 11.157 17.845 -69.722 1.00 52.96 ? 340 HOH L O 1 HETATM 6431 O O . HOH P 5 . ? -15.310 -2.691 -50.071 1.00 41.35 ? 341 HOH L O 1 HETATM 6432 O O . HOH P 5 . ? 7.164 13.457 -53.604 1.00 49.61 ? 342 HOH L O 1 HETATM 6433 O O . HOH P 5 . ? -7.437 12.293 -64.213 1.00 53.41 ? 343 HOH L O 1 HETATM 6434 O O . HOH P 5 . ? -4.085 5.452 -56.786 1.00 55.79 ? 344 HOH L O 1 HETATM 6435 O O . HOH P 5 . ? -15.601 -7.654 -51.354 1.00 47.72 ? 345 HOH L O 1 HETATM 6436 O O . HOH P 5 . ? -2.469 18.923 -61.462 1.00 44.72 ? 346 HOH L O 1 HETATM 6437 O O . HOH P 5 . ? 17.283 9.161 -50.097 1.00 44.40 ? 347 HOH L O 1 HETATM 6438 O O . HOH P 5 . ? -11.566 15.491 -67.233 1.00 57.77 ? 348 HOH L O 1 HETATM 6439 O O . HOH P 5 . ? -12.851 17.466 -65.791 1.00 53.02 ? 349 HOH L O 1 HETATM 6440 O O . HOH P 5 . ? -5.893 9.486 -65.815 1.00 56.68 ? 350 HOH L O 1 HETATM 6441 O O . HOH P 5 . ? -3.719 18.256 -50.094 1.00 61.96 ? 351 HOH L O 1 HETATM 6442 O O . HOH P 5 . ? -19.355 4.466 -50.293 1.00 36.70 ? 352 HOH L O 1 HETATM 6443 O O . HOH P 5 . ? -21.730 4.686 -51.360 1.00 43.12 ? 353 HOH L O 1 HETATM 6444 O O . HOH P 5 . ? -1.912 15.640 -59.601 1.00 43.79 ? 354 HOH L O 1 HETATM 6445 O O . HOH P 5 . ? -15.441 -7.567 -53.944 1.00 52.05 ? 355 HOH L O 1 HETATM 6446 O O . HOH P 5 . ? 13.900 4.999 -71.377 1.00 46.91 ? 356 HOH L O 1 HETATM 6447 O O . HOH P 5 . ? -25.480 10.472 -48.463 1.00 52.97 ? 357 HOH L O 1 HETATM 6448 O O . HOH P 5 . ? -6.372 -3.198 -40.390 1.00 61.10 ? 358 HOH L O 1 HETATM 6449 O O . HOH P 5 . ? 7.279 15.916 -65.754 1.00 39.13 ? 359 HOH L O 1 HETATM 6450 O O . HOH P 5 . ? 14.266 -3.373 -70.205 1.00 41.45 ? 360 HOH L O 1 HETATM 6451 O O . HOH P 5 . ? -8.267 25.600 -48.607 1.00 51.18 ? 361 HOH L O 1 HETATM 6452 O O . HOH P 5 . ? 7.144 20.162 -58.555 1.00 37.86 ? 362 HOH L O 1 HETATM 6453 O O . HOH P 5 . ? -18.577 19.141 -40.304 1.00 54.62 ? 363 HOH L O 1 HETATM 6454 O O . HOH P 5 . ? -11.273 6.660 -57.131 1.00 48.86 ? 364 HOH L O 1 HETATM 6455 O O . HOH P 5 . ? 13.269 12.753 -71.247 1.00 54.41 ? 365 HOH L O 1 HETATM 6456 O O . HOH P 5 . ? 13.003 -1.223 -54.288 1.00 51.67 ? 366 HOH L O 1 HETATM 6457 O O . HOH P 5 . ? 7.041 -5.734 -74.235 1.00 49.50 ? 367 HOH L O 1 HETATM 6458 O O . HOH P 5 . ? -3.811 7.570 -74.500 1.00 49.66 ? 368 HOH L O 1 HETATM 6459 O O . HOH P 5 . ? -17.179 -6.379 -55.485 1.00 59.07 ? 369 HOH L O 1 HETATM 6460 O O . HOH P 5 . ? 24.101 9.069 -58.093 1.00 46.17 ? 370 HOH L O 1 HETATM 6461 O O . HOH P 5 . ? -26.948 10.746 -44.287 1.00 60.01 ? 371 HOH L O 1 HETATM 6462 O O . HOH P 5 . ? -1.446 20.356 -66.643 1.00 54.45 ? 372 HOH L O 1 HETATM 6463 O O . HOH P 5 . ? -18.700 -0.012 -51.360 1.00 62.41 ? 373 HOH L O 1 HETATM 6464 O O . HOH P 5 . ? -0.819 18.014 -55.302 1.00 66.51 ? 374 HOH L O 1 HETATM 6465 O O . HOH P 5 . ? 30.895 3.533 -59.649 1.00 61.26 ? 375 HOH L O 1 HETATM 6466 O O . HOH P 5 . ? 2.587 8.619 -54.235 1.00 60.76 ? 376 HOH L O 1 HETATM 6467 O O . HOH P 5 . ? -9.125 17.113 -67.232 1.00 49.69 ? 377 HOH L O 1 HETATM 6468 O O . HOH P 5 . ? -0.051 10.568 -49.008 1.00 60.93 ? 378 HOH L O 1 HETATM 6469 O O . HOH P 5 . ? -0.541 9.522 -47.102 1.00 62.97 ? 379 HOH L O 1 HETATM 6470 O O . HOH P 5 . ? 17.468 5.282 -47.798 1.00 60.60 ? 380 HOH L O 1 HETATM 6471 O O . HOH P 5 . ? 14.681 4.223 -46.581 1.00 64.63 ? 381 HOH L O 1 HETATM 6472 O O . HOH P 5 . ? -10.422 -1.766 -47.224 1.00 52.58 ? 382 HOH L O 1 HETATM 6473 O O . HOH P 5 . ? 19.106 -7.091 -62.572 1.00 52.17 ? 383 HOH L O 1 HETATM 6474 O O . HOH P 5 . ? 7.784 18.224 -68.696 1.00 70.87 ? 384 HOH L O 1 HETATM 6475 O O . HOH P 5 . ? 2.826 -3.685 -67.472 1.00 56.25 ? 385 HOH L O 1 HETATM 6476 O O . HOH P 5 . ? -21.570 0.115 -52.070 1.00 63.09 ? 386 HOH L O 1 HETATM 6477 O O . HOH P 5 . ? -9.700 3.836 -55.376 1.00 48.19 ? 387 HOH L O 1 HETATM 6478 O O . HOH P 5 . ? 15.941 12.251 -53.134 1.00 53.81 ? 388 HOH L O 1 HETATM 6479 O O . HOH P 5 . ? -21.138 9.172 -53.746 1.00 52.95 ? 389 HOH L O 1 HETATM 6480 O O . HOH P 5 . ? 9.742 7.838 -50.384 1.00 56.95 ? 390 HOH L O 1 HETATM 6481 O O . HOH P 5 . ? 7.758 -0.257 -74.084 1.00 50.11 ? 391 HOH L O 1 HETATM 6482 O O . HOH P 5 . ? 9.304 -2.275 -73.302 1.00 57.89 ? 392 HOH L O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . VAL A 1 ? 1.0056 1.6728 1.2380 -0.4446 -0.0639 0.0323 44 VAL G N 2 C CA . VAL A 1 ? 1.0296 1.6724 1.2151 -0.4316 -0.0826 0.0489 44 VAL G CA 3 C C . VAL A 1 ? 1.0025 1.6336 1.2093 -0.3836 -0.0902 0.0760 44 VAL G C 4 O O . VAL A 1 ? 1.0386 1.7142 1.3074 -0.3624 -0.1032 0.0885 44 VAL G O 5 C CB . VAL A 1 ? 1.0333 1.7358 1.2122 -0.4557 -0.1238 0.0545 44 VAL G CB 6 C CG1 . VAL A 1 ? 1.0238 1.8102 1.2779 -0.4454 -0.1571 0.0689 44 VAL G CG1 7 C CG2 . VAL A 1 ? 0.9711 1.6463 1.0975 -0.4444 -0.1414 0.0729 44 VAL G CG2 8 N N . TRP A 2 ? 0.9636 1.5350 1.1215 -0.3671 -0.0802 0.0825 45 TRP G N 9 C CA . TRP A 2 ? 0.9058 1.4621 1.0765 -0.3254 -0.0867 0.1064 45 TRP G CA 10 C C . TRP A 2 ? 0.9180 1.4511 1.0372 -0.3225 -0.1020 0.1188 45 TRP G C 11 O O . TRP A 2 ? 0.9839 1.5127 1.0570 -0.3529 -0.1060 0.1077 45 TRP G O 12 C CB . TRP A 2 ? 0.8642 1.3659 1.0344 -0.3027 -0.0510 0.1006 45 TRP G CB 13 C CG . TRP A 2 ? 0.9131 1.3488 1.0240 -0.3135 -0.0240 0.0839 45 TRP G CG 14 C CD1 . TRP A 2 ? 0.9699 1.3643 1.0355 -0.3037 -0.0221 0.0872 45 TRP G CD1 15 C CD2 . TRP A 2 ? 0.9125 1.3149 1.0060 -0.3353 0.0056 0.0607 45 TRP G CD2 16 N NE1 . TRP A 2 ? 0.9895 1.3304 1.0157 -0.3155 0.0056 0.0667 45 TRP G NE1 17 C CE2 . TRP A 2 ? 0.9612 1.3021 1.0014 -0.3345 0.0225 0.0517 45 TRP G CE2 18 C CE3 . TRP A 2 ? 0.9856 1.4031 1.1041 -0.3563 0.0204 0.0462 45 TRP G CE3 19 C CZ2 . TRP A 2 ? 1.0683 1.3587 1.0801 -0.3508 0.0517 0.0307 45 TRP G CZ2 20 C CZ3 . TRP A 2 ? 1.0228 1.3873 1.1075 -0.3759 0.0509 0.0259 45 TRP G CZ3 21 C CH2 . TRP A 2 ? 1.0678 1.3675 1.0996 -0.3715 0.0653 0.0193 45 TRP G CH2 22 N N . LYS A 3 ? 0.8659 1.3833 0.9920 -0.2883 -0.1083 0.1400 46 LYS G N 23 C CA . LYS A 3 ? 0.8698 1.3606 0.9472 -0.2850 -0.1184 0.1517 46 LYS G CA 24 C C . LYS A 3 ? 0.8465 1.2980 0.9283 -0.2480 -0.1051 0.1630 46 LYS G C 25 O O . LYS A 3 ? 0.8630 1.3224 0.9928 -0.2223 -0.1006 0.1701 46 LYS G O 26 C CB . LYS A 3 ? 0.9178 1.4545 0.9966 -0.2922 -0.1605 0.1743 46 LYS G CB 27 C CG . LYS A 3 ? 0.8828 1.4528 1.0220 -0.2597 -0.1840 0.2007 46 LYS G CG 28 C CD . LYS A 3 ? 0.9663 1.5712 1.0975 -0.2648 -0.2282 0.2272 46 LYS G CD 29 C CE . LYS A 3 ? 1.0032 1.6350 1.1974 -0.2283 -0.2519 0.2545 46 LYS G CE 30 N NZ . LYS A 3 ? 1.0081 1.6932 1.2792 -0.2221 -0.2538 0.2457 46 LYS G NZ 31 N N . ASP A 4 ? 0.8361 1.2474 0.8689 -0.2474 -0.0973 0.1621 47 ASP G N 32 C CA . ASP A 4 ? 0.8962 1.2727 0.9298 -0.2158 -0.0862 0.1714 47 ASP G CA 33 C C . ASP A 4 ? 0.8657 1.2668 0.9352 -0.1925 -0.1113 0.1996 47 ASP G C 34 O O . ASP A 4 ? 0.8791 1.3083 0.9434 -0.2023 -0.1413 0.2168 47 ASP G O 35 C CB . ASP A 4 ? 1.0450 1.3837 1.0222 -0.2239 -0.0764 0.1643 47 ASP G CB 36 C CG . ASP A 4 ? 1.1765 1.4829 1.1254 -0.2387 -0.0479 0.1352 47 ASP G CG 37 O OD1 . ASP A 4 ? 1.2293 1.5435 1.1910 -0.2521 -0.0398 0.1217 47 ASP G OD1 38 O OD2 . ASP A 4 ? 1.2243 1.4970 1.1401 -0.2371 -0.0330 0.1251 47 ASP G OD2 39 N N . ALA A 5 ? 0.7894 1.1781 0.8941 -0.1618 -0.0994 0.2044 48 ALA G N 40 C CA . ALA A 5 ? 0.7935 1.2011 0.9391 -0.1368 -0.1193 0.2285 48 ALA G CA 41 C C . ALA A 5 ? 0.7247 1.0996 0.8848 -0.1066 -0.0994 0.2294 48 ALA G C 42 O O . ALA A 5 ? 0.7062 1.0511 0.8522 -0.1037 -0.0719 0.2118 48 ALA G O 43 C CB . ALA A 5 ? 0.7711 1.2310 0.9770 -0.1351 -0.1339 0.2319 48 ALA G CB 44 N N . ASP A 6 ? 0.6617 1.0414 0.8492 -0.0845 -0.1146 0.2505 49 ASP G N 45 C CA . ASP A 6 ? 0.6938 1.0460 0.8989 -0.0570 -0.0974 0.2512 49 ASP G CA 46 C C . ASP A 6 ? 0.6870 1.0682 0.9612 -0.0342 -0.1041 0.2599 49 ASP G C 47 O O . ASP A 6 ? 0.7209 1.1358 1.0254 -0.0318 -0.1321 0.2771 49 ASP G O 48 C CB . ASP A 6 ? 0.7204 1.0401 0.8899 -0.0519 -0.1032 0.2650 49 ASP G CB 49 C CG . ASP A 6 ? 0.8129 1.1071 0.9192 -0.0743 -0.0933 0.2528 49 ASP G CG 50 O OD1 . ASP A 6 ? 0.8134 1.0988 0.9060 -0.0828 -0.0727 0.2306 49 ASP G OD1 51 O OD2 . ASP A 6 ? 0.9598 1.2410 1.0300 -0.0836 -0.1053 0.2652 49 ASP G OD2 52 N N . THR A 7 ? 0.6462 1.0153 0.9460 -0.0174 -0.0787 0.2472 50 THR G N 53 C CA . THR A 7 ? 0.5828 0.9782 0.9508 0.0039 -0.0785 0.2499 50 THR G CA 54 C C . THR A 7 ? 0.5461 0.9100 0.9223 0.0246 -0.0526 0.2416 50 THR G C 55 O O . THR A 7 ? 0.6292 0.9539 0.9590 0.0227 -0.0379 0.2352 50 THR G O 56 C CB . THR A 7 ? 0.5740 1.0102 0.9795 -0.0074 -0.0717 0.2348 50 THR G CB 57 O OG1 . THR A 7 ? 0.5555 1.0249 1.0346 0.0132 -0.0735 0.2368 50 THR G OG1 58 C CG2 . THR A 7 ? 0.5135 0.9236 0.8907 -0.0177 -0.0380 0.2118 50 THR G CG2 59 N N . THR A 8 ? 0.5218 0.9055 0.9591 0.0437 -0.0469 0.2399 51 THR G N 60 C CA . THR A 8 ? 0.5230 0.8809 0.9706 0.0606 -0.0201 0.2284 51 THR G CA 61 C C . THR A 8 ? 0.5661 0.9251 1.0094 0.0503 0.0091 0.2049 51 THR G C 62 O O . THR A 8 ? 0.5471 0.9409 1.0360 0.0482 0.0159 0.1958 51 THR G O 63 C CB . THR A 8 ? 0.5446 0.9187 1.0602 0.0864 -0.0241 0.2352 51 THR G CB 64 O OG1 . THR A 8 ? 0.6039 0.9660 1.1166 0.0970 -0.0509 0.2601 51 THR G OG1 65 C CG2 . THR A 8 ? 0.4759 0.8239 0.9992 0.0997 0.0072 0.2188 51 THR G CG2 66 N N . LEU A 9 ? 0.5479 0.8685 0.9360 0.0433 0.0260 0.1955 52 LEU G N 67 C CA . LEU A 9 ? 0.4996 0.8108 0.8717 0.0334 0.0522 0.1768 52 LEU G CA 68 C C . LEU A 9 ? 0.4966 0.8049 0.8985 0.0475 0.0754 0.1656 52 LEU G C 69 O O . LEU A 9 ? 0.5173 0.8223 0.9451 0.0660 0.0732 0.1704 52 LEU G O 70 C CB . LEU A 9 ? 0.5222 0.7926 0.8275 0.0248 0.0591 0.1721 52 LEU G CB 71 C CG . LEU A 9 ? 0.5473 0.8127 0.8157 0.0106 0.0410 0.1792 52 LEU G CG 72 C CD1 . LEU A 9 ? 0.5047 0.7303 0.7181 0.0083 0.0507 0.1718 52 LEU G CD1 73 C CD2 . LEU A 9 ? 0.5665 0.8577 0.8419 -0.0099 0.0359 0.1760 52 LEU G CD2 74 N N . PHE A 10 ? 0.4225 0.7292 0.8181 0.0369 0.0990 0.1499 53 PHE G N 75 C CA . PHE A 10 ? 0.4448 0.7404 0.8500 0.0452 0.1250 0.1364 53 PHE G CA 76 C C . PHE A 10 ? 0.4785 0.7342 0.8191 0.0352 0.1416 0.1284 53 PHE G C 77 O O . PHE A 10 ? 0.5309 0.7738 0.8332 0.0206 0.1376 0.1302 53 PHE G O 78 C CB . PHE A 10 ? 0.3756 0.7096 0.8387 0.0418 0.1406 0.1242 53 PHE G CB 79 C CG . PHE A 10 ? 0.4493 0.7905 0.8959 0.0171 0.1537 0.1147 53 PHE G CG 80 C CD1 . PHE A 10 ? 0.4234 0.7949 0.8863 0.0034 0.1373 0.1194 53 PHE G CD1 81 C CD2 . PHE A 10 ? 0.5676 0.8838 0.9800 0.0055 0.1826 0.1009 53 PHE G CD2 82 C CE1 . PHE A 10 ? 0.4777 0.8528 0.9252 -0.0218 0.1515 0.1092 53 PHE G CE1 83 C CE2 . PHE A 10 ? 0.5084 0.8246 0.9018 -0.0190 0.1961 0.0934 53 PHE G CE2 84 C CZ . PHE A 10 ? 0.4965 0.8415 0.9090 -0.0329 0.1817 0.0967 53 PHE G CZ 85 N N . CYS A 11 ? 0.4883 0.7232 0.8166 0.0432 0.1593 0.1194 54 CYS G N 86 C CA . CYS A 11 ? 0.5323 0.7294 0.7984 0.0367 0.1706 0.1142 54 CYS G CA 87 C C . CYS A 11 ? 0.5369 0.7301 0.7951 0.0247 0.1981 0.1005 54 CYS G C 88 O O . CYS A 11 ? 0.5232 0.7421 0.8278 0.0249 0.2134 0.0905 54 CYS G O 89 C CB . CYS A 11 ? 0.5623 0.7361 0.8070 0.0509 0.1680 0.1140 54 CYS G CB 90 S SG . CYS A 11 ? 0.8047 0.9866 1.0898 0.0634 0.1865 0.1015 54 CYS G SG 91 N N . ALA A 12 ? 0.5530 0.7129 0.7522 0.0138 0.2047 0.1001 55 ALA G N 92 C CA . ALA A 12 ? 0.5034 0.6502 0.6794 -0.0006 0.2308 0.0896 55 ALA G CA 93 C C . ALA A 12 ? 0.5873 0.6912 0.6971 0.0014 0.2330 0.0907 55 ALA G C 94 O O . ALA A 12 ? 0.5881 0.6720 0.6679 0.0104 0.2140 0.0997 55 ALA G O 95 C CB . ALA A 12 ? 0.4490 0.5983 0.6196 -0.0221 0.2375 0.0899 55 ALA G CB 96 N N . SER A 13 ? 0.6267 0.7187 0.7144 -0.0074 0.2560 0.0806 56 SER G N 97 C CA . SER A 13 ? 0.6939 0.7487 0.7183 -0.0056 0.2561 0.0819 56 SER G CA 98 C C . SER A 13 ? 0.7155 0.7530 0.7032 -0.0247 0.2830 0.0735 56 SER G C 99 O O . SER A 13 ? 0.7149 0.7723 0.7319 -0.0396 0.3055 0.0631 56 SER G O 100 C CB . SER A 13 ? 0.6782 0.7399 0.7144 0.0121 0.2486 0.0768 56 SER G CB 101 O OG . SER A 13 ? 0.7018 0.7812 0.7678 0.0093 0.2714 0.0605 56 SER G OG 102 N N . ASP A 14 ? 0.6422 0.6441 0.5651 -0.0250 0.2801 0.0776 57 ASP G N 103 C CA . ASP A 14 ? 0.7759 0.7564 0.6510 -0.0441 0.3038 0.0710 57 ASP G CA 104 C C . ASP A 14 ? 0.7698 0.7554 0.6366 -0.0384 0.3097 0.0581 57 ASP G C 105 O O . ASP A 14 ? 0.8462 0.8044 0.6503 -0.0478 0.3150 0.0580 57 ASP G O 106 C CB . ASP A 14 ? 0.9048 0.8352 0.7029 -0.0517 0.2951 0.0878 57 ASP G CB 107 C CG . ASP A 14 ? 0.9806 0.8996 0.7809 -0.0639 0.2968 0.0969 57 ASP G CG 108 O OD1 . ASP A 14 ? 0.9898 0.9347 0.8305 -0.0798 0.3177 0.0866 57 ASP G OD1 109 O OD2 . ASP A 14 ? 1.0883 0.9735 0.8526 -0.0578 0.2779 0.1127 57 ASP G OD2 110 N N . ALA A 15 ? 0.7318 0.7505 0.6597 -0.0239 0.3081 0.0477 58 ALA G N 111 C CA . ALA A 15 ? 0.7106 0.7353 0.6389 -0.0192 0.3158 0.0323 58 ALA G CA 112 C C . ALA A 15 ? 0.6868 0.7096 0.5964 -0.0410 0.3502 0.0139 58 ALA G C 113 O O . ALA A 15 ? 0.7214 0.7560 0.6538 -0.0558 0.3726 0.0074 58 ALA G O 114 C CB . ALA A 15 ? 0.7061 0.7621 0.7083 -0.0017 0.3117 0.0250 58 ALA G CB 115 N N . LYS A 16 ? 0.7904 0.8007 0.6580 -0.0450 0.3550 0.0038 59 LYS G N 116 C CA . LYS A 16 ? 0.8894 0.8980 0.7349 -0.0668 0.3822 -0.0160 59 LYS G CA 117 C C . LYS A 16 ? 0.8868 0.9234 0.7940 -0.0603 0.3945 -0.0411 59 LYS G C 118 O O . LYS A 16 ? 0.8139 0.8551 0.7368 -0.0451 0.3863 -0.0450 59 LYS G O 119 C CB . LYS A 16 ? 0.8967 0.8726 0.6513 -0.0782 0.3753 -0.0114 59 LYS G CB 120 C CG . LYS A 16 ? 0.9409 0.8806 0.6297 -0.0817 0.3585 0.0158 59 LYS G CG 121 C CD . LYS A 16 ? 1.1240 1.0556 0.8087 -0.1017 0.3712 0.0187 59 LYS G CD 122 C CE . LYS A 16 ? 1.3506 1.2402 0.9727 -0.1043 0.3529 0.0462 59 LYS G CE 123 N NZ . LYS A 16 ? 1.4696 1.3261 1.0100 -0.1048 0.3351 0.0572 59 LYS G NZ 124 N N . ALA A 17 ? 1.0149 1.0676 0.9568 -0.0719 0.4142 -0.0584 60 ALA G N 125 C CA . ALA A 17 ? 1.1231 1.1977 1.1269 -0.0645 0.4261 -0.0818 60 ALA G CA 126 C C . ALA A 17 ? 1.1096 1.1702 1.0724 -0.0740 0.4343 -0.0997 60 ALA G C 127 O O . ALA A 17 ? 1.1696 1.2398 1.1745 -0.0662 0.4410 -0.1179 60 ALA G O 128 C CB . ALA A 17 ? 1.1935 1.2897 1.2465 -0.0734 0.4448 -0.0956 60 ALA G CB 129 N N . HIS A 18 ? 1.0147 1.0505 0.8941 -0.0914 0.4323 -0.0936 61 HIS G N 130 C CA . HIS A 18 ? 0.9600 0.9836 0.7920 -0.1041 0.4381 -0.1098 61 HIS G CA 131 C C . HIS A 18 ? 0.9514 0.9675 0.7535 -0.0919 0.4174 -0.1025 61 HIS G C 132 O O . HIS A 18 ? 0.9513 0.9618 0.7188 -0.1004 0.4184 -0.1165 61 HIS G O 133 C CB . HIS A 18 ? 1.0754 1.0763 0.8295 -0.1309 0.4449 -0.1068 61 HIS G CB 134 C CG . HIS A 18 ? 1.1534 1.1279 0.8315 -0.1316 0.4216 -0.0791 61 HIS G CG 135 N ND1 . HIS A 18 ? 1.1579 1.1203 0.8255 -0.1299 0.4128 -0.0553 61 HIS G ND1 136 C CD2 . HIS A 18 ? 1.1935 1.1503 0.8024 -0.1334 0.4038 -0.0715 61 HIS G CD2 137 C CE1 . HIS A 18 ? 1.1535 1.0877 0.7493 -0.1288 0.3902 -0.0331 61 HIS G CE1 138 N NE2 . HIS A 18 ? 1.1816 1.1139 0.7409 -0.1302 0.3832 -0.0420 61 HIS G NE2 139 N N . GLU A 19 ? 0.8672 0.8845 0.6832 -0.0732 0.3990 -0.0818 62 GLU G N 140 C CA . GLU A 19 ? 0.9131 0.9220 0.6944 -0.0624 0.3783 -0.0724 62 GLU G CA 141 C C . GLU A 19 ? 0.8463 0.8715 0.6844 -0.0466 0.3774 -0.0867 62 GLU G C 142 O O . GLU A 19 ? 0.8447 0.8845 0.7560 -0.0331 0.3817 -0.0883 62 GLU G O 143 C CB . GLU A 19 ? 0.8576 0.8563 0.6264 -0.0491 0.3539 -0.0423 62 GLU G CB 144 C CG . GLU A 19 ? 0.9781 0.9709 0.7176 -0.0346 0.3173 -0.0294 62 GLU G CG 145 C CD . GLU A 19 ? 0.9785 0.9559 0.6378 -0.0486 0.3108 -0.0327 62 GLU G CD 146 O OE1 . GLU A 19 ? 0.9932 0.9465 0.5913 -0.0592 0.3059 -0.0170 62 GLU G OE1 147 O OE2 . GLU A 19 ? 0.9567 0.9450 0.6125 -0.0501 0.3097 -0.0505 62 GLU G OE2 148 N N . THR A 20 ? 0.8051 0.8269 0.6079 -0.0494 0.3699 -0.0967 63 THR G N 149 C CA . THR A 20 ? 0.8169 0.8492 0.6663 -0.0374 0.3682 -0.1103 63 THR G CA 150 C C . THR A 20 ? 0.7916 0.8264 0.6466 -0.0181 0.3335 -0.0898 63 THR G C 151 O O . THR A 20 ? 0.9004 0.9416 0.7890 -0.0088 0.3278 -0.0972 63 THR G O 152 C CB . THR A 20 ? 0.8352 0.8662 0.6536 -0.0530 0.3740 -0.1353 63 THR G CB 153 O OG1 . THR A 20 ? 0.9200 0.9450 0.6587 -0.0624 0.3573 -0.1293 63 THR G OG1 154 C CG2 . THR A 20 ? 0.8580 0.8860 0.6791 -0.0707 0.3972 -0.1535 63 THR G CG2 155 N N . GLU A 21 ? 0.7452 0.7730 0.5679 -0.0130 0.3097 -0.0646 64 GLU G N 156 C CA . GLU A 21 ? 0.7022 0.7338 0.5339 0.0053 0.2764 -0.0460 64 GLU G CA 157 C C . GLU A 21 ? 0.6633 0.7042 0.5664 0.0202 0.2774 -0.0396 64 GLU G C 158 O O . GLU A 21 ? 0.6995 0.7423 0.6351 0.0204 0.2919 -0.0356 64 GLU G O 159 C CB . GLU A 21 ? 0.6583 0.6764 0.4430 0.0081 0.2539 -0.0218 64 GLU G CB 160 C CG . GLU A 21 ? 0.6389 0.6615 0.4255 0.0258 0.2200 -0.0071 64 GLU G CG 161 C CD . GLU A 21 ? 0.6335 0.6631 0.4761 0.0396 0.2147 0.0044 64 GLU G CD 162 O OE1 . GLU A 21 ? 0.6059 0.6325 0.4715 0.0370 0.2288 0.0105 64 GLU G OE1 163 O OE2 . GLU A 21 ? 0.6072 0.6472 0.4702 0.0510 0.1969 0.0062 64 GLU G OE2 164 N N . VAL A 22 ? 0.5679 0.6158 0.4934 0.0313 0.2609 -0.0387 65 VAL G N 165 C CA . VAL A 22 ? 0.6274 0.6810 0.6144 0.0435 0.2610 -0.0337 65 VAL G CA 166 C C . VAL A 22 ? 0.6209 0.6768 0.6319 0.0522 0.2519 -0.0115 65 VAL G C 167 O O . VAL A 22 ? 0.5260 0.5875 0.5871 0.0573 0.2623 -0.0097 65 VAL G O 168 C CB . VAL A 22 ? 0.7539 0.8115 0.7456 0.0497 0.2430 -0.0349 65 VAL G CB 169 C CG1 . VAL A 22 ? 0.8435 0.9037 0.8729 0.0623 0.2287 -0.0166 65 VAL G CG1 170 C CG2 . VAL A 22 ? 0.8556 0.9114 0.8610 0.0425 0.2609 -0.0593 65 VAL G CG2 171 N N . HIS A 23 ? 0.5411 0.5928 0.5181 0.0541 0.2323 0.0046 66 HIS G N 172 C CA . HIS A 23 ? 0.5571 0.6102 0.5527 0.0593 0.2240 0.0235 66 HIS G CA 173 C C . HIS A 23 ? 0.5644 0.6180 0.5690 0.0501 0.2450 0.0223 66 HIS G C 174 O O . HIS A 23 ? 0.5788 0.6430 0.6252 0.0534 0.2469 0.0299 66 HIS G O 175 C CB . HIS A 23 ? 0.5426 0.5867 0.4988 0.0630 0.2007 0.0381 66 HIS G CB 176 C CG . HIS A 23 ? 0.5590 0.6091 0.5172 0.0724 0.1805 0.0386 66 HIS G CG 177 N ND1 . HIS A 23 ? 0.5804 0.6334 0.5153 0.0719 0.1748 0.0264 66 HIS G ND1 178 C CD2 . HIS A 23 ? 0.5451 0.6012 0.5256 0.0801 0.1659 0.0480 66 HIS G CD2 179 C CE1 . HIS A 23 ? 0.5621 0.6242 0.5088 0.0794 0.1586 0.0274 66 HIS G CE1 180 N NE2 . HIS A 23 ? 0.4658 0.5284 0.4382 0.0839 0.1539 0.0404 66 HIS G NE2 181 N N . ASN A 24 ? 0.5833 0.6272 0.5479 0.0369 0.2606 0.0120 67 ASN G N 182 C CA . ASN A 24 ? 0.5533 0.5984 0.5234 0.0238 0.2856 0.0065 67 ASN G CA 183 C C . ASN A 24 ? 0.5380 0.6026 0.5753 0.0267 0.3073 -0.0082 67 ASN G C 184 O O . ASN A 24 ? 0.6628 0.7413 0.7400 0.0257 0.3171 -0.0060 67 ASN G O 185 C CB . ASN A 24 ? 0.7275 0.7564 0.6347 0.0060 0.2999 -0.0036 67 ASN G CB 186 C CG . ASN A 24 ? 0.7436 0.7490 0.5884 0.0005 0.2846 0.0152 67 ASN G CG 187 O OD1 . ASN A 24 ? 0.7199 0.7154 0.5486 -0.0128 0.2981 0.0201 67 ASN G OD1 188 N ND2 . ASN A 24 ? 0.7185 0.7143 0.5300 0.0108 0.2570 0.0252 67 ASN G ND2 189 N N . VAL A 25 ? 0.5993 0.6651 0.6512 0.0304 0.3145 -0.0243 68 VAL G N 190 C CA . VAL A 25 ? 0.5828 0.6615 0.6997 0.0358 0.3357 -0.0397 68 VAL G CA 191 C C . VAL A 25 ? 0.5477 0.6399 0.7257 0.0532 0.3203 -0.0231 68 VAL G C 192 O O . VAL A 25 ? 0.5855 0.6949 0.8174 0.0567 0.3329 -0.0260 68 VAL G O 193 C CB . VAL A 25 ? 0.7022 0.7728 0.8195 0.0365 0.3442 -0.0591 68 VAL G CB 194 C CG1 . VAL A 25 ? 0.7525 0.8283 0.9401 0.0475 0.3513 -0.0680 68 VAL G CG1 195 C CG2 . VAL A 25 ? 0.6724 0.7345 0.7363 0.0161 0.3619 -0.0799 68 VAL G CG2 196 N N . TRP A 26 ? 0.5299 0.6165 0.6991 0.0629 0.2926 -0.0063 69 TRP G N 197 C CA . TRP A 26 ? 0.5001 0.5971 0.7151 0.0765 0.2746 0.0119 69 TRP G CA 198 C C . TRP A 26 ? 0.5565 0.6695 0.7858 0.0733 0.2717 0.0235 69 TRP G C 199 O O . TRP A 26 ? 0.4487 0.5806 0.7350 0.0811 0.2719 0.0278 69 TRP G O 200 C CB . TRP A 26 ? 0.5067 0.5942 0.6963 0.0817 0.2476 0.0263 69 TRP G CB 201 C CG . TRP A 26 ? 0.4969 0.5927 0.7235 0.0921 0.2288 0.0455 69 TRP G CG 202 C CD1 . TRP A 26 ? 0.4777 0.5708 0.7433 0.1026 0.2245 0.0497 69 TRP G CD1 203 C CD2 . TRP A 26 ? 0.5083 0.6139 0.7324 0.0911 0.2114 0.0633 69 TRP G CD2 204 N NE1 . TRP A 26 ? 0.5900 0.6920 0.8743 0.1080 0.2037 0.0707 69 TRP G NE1 205 C CE2 . TRP A 26 ? 0.5772 0.6889 0.8375 0.1003 0.1959 0.0778 69 TRP G CE2 206 C CE3 . TRP A 26 ? 0.5134 0.6200 0.7055 0.0821 0.2078 0.0685 69 TRP G CE3 207 C CZ2 . TRP A 26 ? 0.5584 0.6816 0.8231 0.0993 0.1769 0.0953 69 TRP G CZ2 208 C CZ3 . TRP A 26 ? 0.5023 0.6182 0.7023 0.0815 0.1909 0.0845 69 TRP G CZ3 209 C CH2 . TRP A 26 ? 0.5176 0.6440 0.7532 0.0894 0.1756 0.0968 69 TRP G CH2 210 N N . ALA A 27 ? 0.5690 0.6737 0.7468 0.0616 0.2685 0.0283 70 ALA G N 211 C CA . ALA A 27 ? 0.5274 0.6424 0.7099 0.0546 0.2662 0.0386 70 ALA G CA 212 C C . ALA A 27 ? 0.4867 0.6202 0.7050 0.0459 0.2936 0.0245 70 ALA G C 213 O O . ALA A 27 ? 0.5343 0.6883 0.7856 0.0430 0.2929 0.0300 70 ALA G O 214 C CB . ALA A 27 ? 0.5579 0.6509 0.6729 0.0443 0.2582 0.0467 70 ALA G CB 215 N N . THR A 28 ? 0.5429 0.6717 0.7556 0.0400 0.3188 0.0039 71 THR G N 216 C CA . THR A 28 ? 0.6217 0.7686 0.8677 0.0298 0.3477 -0.0145 71 THR G CA 217 C C . THR A 28 ? 0.6474 0.8233 0.9764 0.0448 0.3407 -0.0153 71 THR G C 218 O O . THR A 28 ? 0.7199 0.9196 1.0832 0.0385 0.3472 -0.0205 71 THR G O 219 C CB . THR A 28 ? 0.6765 0.8091 0.8953 0.0200 0.3658 -0.0384 71 THR G CB 220 O OG1 . THR A 28 ? 0.8432 0.9496 0.9818 0.0073 0.3676 -0.0356 71 THR G OG1 221 C CG2 . THR A 28 ? 0.5656 0.7127 0.8056 0.0061 0.3867 -0.0575 71 THR G CG2 222 N N . HIS A 29 ? 0.6116 0.7846 0.9707 0.0642 0.3262 -0.0092 72 HIS G N 223 C CA . HIS A 29 ? 0.6447 0.8381 1.0772 0.0808 0.3165 -0.0074 72 HIS G CA 224 C C . HIS A 29 ? 0.5375 0.7478 0.9979 0.0923 0.2903 0.0191 72 HIS G C 225 O O . HIS A 29 ? 0.5510 0.7869 1.0691 0.1017 0.2798 0.0235 72 HIS G O 226 C CB . HIS A 29 ? 0.8157 0.9899 1.2638 0.0936 0.3171 -0.0160 72 HIS G CB 227 C CG . HIS A 29 ? 1.0532 1.2130 1.4777 0.0813 0.3422 -0.0432 72 HIS G CG 228 N ND1 . HIS A 29 ? 1.0985 1.2352 1.4596 0.0695 0.3499 -0.0506 72 HIS G ND1 229 C CD2 . HIS A 29 ? 1.0514 1.2185 1.5065 0.0781 0.3607 -0.0651 72 HIS G CD2 230 C CE1 . HIS A 29 ? 1.0487 1.1786 1.4002 0.0582 0.3714 -0.0753 72 HIS G CE1 231 N NE2 . HIS A 29 ? 1.0799 1.2267 1.4879 0.0630 0.3796 -0.0849 72 HIS G NE2 232 N N . ALA A 30 ? 0.3977 0.5913 0.8079 0.0895 0.2732 0.0359 73 ALA G N 233 C CA . ALA A 30 ? 0.5539 0.7556 0.9721 0.0958 0.2417 0.0597 73 ALA G CA 234 C C . ALA A 30 ? 0.6146 0.8306 1.0162 0.0809 0.2360 0.0666 73 ALA G C 235 O O . ALA A 30 ? 0.6913 0.9258 1.1151 0.0832 0.2146 0.0818 73 ALA G O 236 C CB . ALA A 30 ? 0.5140 0.6873 0.8854 0.0992 0.2227 0.0712 73 ALA G CB 237 N N . CYS A 31 ? 0.6839 0.8892 1.0434 0.0639 0.2551 0.0557 74 CYS G N 238 C CA . CYS A 31 ? 0.6310 0.8396 0.9650 0.0472 0.2519 0.0620 74 CYS G CA 239 C C . CYS A 31 ? 0.5108 0.7375 0.8626 0.0309 0.2801 0.0460 74 CYS G C 240 O O . CYS A 31 ? 0.5219 0.7540 0.8935 0.0305 0.3054 0.0276 74 CYS G O 241 C CB . CYS A 31 ? 0.5853 0.7560 0.8405 0.0395 0.2452 0.0685 74 CYS G CB 242 S SG . CYS A 31 ? 0.6227 0.7753 0.8555 0.0549 0.2161 0.0827 74 CYS G SG 243 N N . VAL A 32 ? 0.5480 0.7833 0.8918 0.0152 0.2776 0.0511 75 VAL G N 244 C CA . VAL A 32 ? 0.5983 0.8480 0.9504 -0.0061 0.3054 0.0362 75 VAL G CA 245 C C . VAL A 32 ? 0.5896 0.7964 0.8578 -0.0264 0.3140 0.0397 75 VAL G C 246 O O . VAL A 32 ? 0.5912 0.7668 0.8097 -0.0218 0.2933 0.0549 75 VAL G O 247 C CB . VAL A 32 ? 0.5586 0.8531 0.9698 -0.0119 0.2981 0.0375 75 VAL G CB 248 C CG1 . VAL A 32 ? 0.5062 0.8422 1.0018 0.0111 0.2865 0.0366 75 VAL G CG1 249 C CG2 . VAL A 32 ? 0.4892 0.7711 0.8659 -0.0181 0.2719 0.0560 75 VAL G CG2 250 N N . PRO A 33 ? 0.6361 0.8393 0.8876 -0.0488 0.3450 0.0255 76 PRO G N 251 C CA . PRO A 33 ? 0.6943 0.8510 0.8622 -0.0688 0.3518 0.0323 76 PRO G CA 252 C C . PRO A 33 ? 0.7956 0.9420 0.9463 -0.0770 0.3338 0.0476 76 PRO G C 253 O O . PRO A 33 ? 0.7326 0.9171 0.9389 -0.0783 0.3264 0.0467 76 PRO G O 254 C CB . PRO A 33 ? 0.6682 0.8297 0.8310 -0.0929 0.3828 0.0130 76 PRO G CB 255 C CG . PRO A 33 ? 0.6445 0.8626 0.8974 -0.0857 0.3864 -0.0036 76 PRO G CG 256 C CD . PRO A 33 ? 0.5773 0.8114 0.8752 -0.0556 0.3691 0.0022 76 PRO G CD 257 N N . THR A 34 ? 0.8544 0.9498 0.9298 -0.0819 0.3261 0.0607 77 THR G N 258 C CA . THR A 34 ? 0.7983 0.8757 0.8524 -0.0888 0.3103 0.0737 77 THR G CA 259 C C . THR A 34 ? 0.7415 0.8203 0.7941 -0.1195 0.3325 0.0672 77 THR G C 260 O O . THR A 34 ? 0.8227 0.9070 0.8753 -0.1376 0.3620 0.0541 77 THR G O 261 C CB . THR A 34 ? 0.7753 0.7950 0.7530 -0.0820 0.2959 0.0890 77 THR G CB 262 O OG1 . THR A 34 ? 0.8314 0.8122 0.7485 -0.0971 0.3163 0.0883 77 THR G OG1 263 C CG2 . THR A 34 ? 0.6853 0.7075 0.6667 -0.0541 0.2735 0.0936 77 THR G CG2 264 N N . ASP A 35 ? 0.8016 0.8748 0.8517 -0.1277 0.3200 0.0746 78 ASP G N 265 C CA . ASP A 35 ? 0.8959 0.9674 0.9423 -0.1595 0.3397 0.0682 78 ASP G CA 266 C C . ASP A 35 ? 0.9424 0.9418 0.9010 -0.1759 0.3518 0.0778 78 ASP G C 267 O O . ASP A 35 ? 1.0010 0.9555 0.9129 -0.1636 0.3324 0.0930 78 ASP G O 268 C CB . ASP A 35 ? 0.8987 0.9967 0.9812 -0.1632 0.3208 0.0701 78 ASP G CB 269 C CG . ASP A 35 ? 0.9318 1.0484 1.0331 -0.1977 0.3418 0.0578 78 ASP G CG 270 O OD1 . ASP A 35 ? 0.9074 0.9814 0.9570 -0.2187 0.3604 0.0561 78 ASP G OD1 271 O OD2 . ASP A 35 ? 0.9305 1.1049 1.0974 -0.2012 0.3328 0.0499 78 ASP G OD2 272 N N . PRO A 36 ? 0.9840 0.9745 0.9235 -0.1963 0.3700 0.0676 79 PRO G N 273 C CA . PRO A 36 ? 1.1156 1.0383 0.9743 -0.2094 0.3731 0.0768 79 PRO G CA 274 C C . PRO A 36 ? 1.1944 1.0823 1.0292 -0.2202 0.3649 0.0859 79 PRO G C 275 O O . PRO A 36 ? 1.2628 1.0880 1.0337 -0.2151 0.3552 0.1015 79 PRO G O 276 C CB . PRO A 36 ? 1.0972 1.0336 0.9612 -0.2328 0.3970 0.0597 79 PRO G CB 277 C CG . PRO A 36 ? 1.0394 1.0414 0.9744 -0.2227 0.4044 0.0430 79 PRO G CG 278 C CD . PRO A 36 ? 0.9363 0.9796 0.9313 -0.2057 0.3879 0.0465 79 PRO G CD 279 N N . ASN A 37 ? 1.1351 1.0645 1.0232 -0.2343 0.3679 0.0753 80 ASN G N 280 C CA . ASN A 37 ? 1.1466 1.0481 1.0177 -0.2478 0.3621 0.0794 80 ASN G CA 281 C C . ASN A 37 ? 1.0880 1.0295 1.0087 -0.2405 0.3471 0.0794 80 ASN G C 282 O O . ASN A 37 ? 1.0971 1.0931 1.0748 -0.2557 0.3497 0.0662 80 ASN G O 283 C CB . ASN A 37 ? 1.2108 1.1186 1.0889 -0.2799 0.3805 0.0647 80 ASN G CB 284 C CG . ASN A 37 ? 1.4084 1.2624 1.2237 -0.2917 0.3952 0.0669 80 ASN G CG 285 O OD1 . ASN A 37 ? 1.5004 1.2918 1.2510 -0.2805 0.3870 0.0837 80 ASN G OD1 286 N ND2 . ASN A 37 ? 1.4572 1.3364 1.2918 -0.3146 0.4163 0.0496 80 ASN G ND2 287 N N . PRO A 38 ? 1.0520 0.9691 0.9518 -0.2163 0.3286 0.0935 81 PRO G N 288 C CA . PRO A 38 ? 1.0406 0.9926 0.9809 -0.2022 0.3015 0.0930 81 PRO G CA 289 C C . PRO A 38 ? 1.0311 0.9695 0.9646 -0.2271 0.3032 0.0881 81 PRO G C 290 O O . PRO A 38 ? 1.0891 0.9649 0.9678 -0.2439 0.3178 0.0919 81 PRO G O 291 C CB . PRO A 38 ? 1.0058 0.9220 0.9114 -0.1697 0.2794 0.1068 81 PRO G CB 292 C CG . PRO A 38 ? 1.0396 0.9256 0.9066 -0.1617 0.2908 0.1130 81 PRO G CG 293 C CD . PRO A 38 ? 1.0728 0.9345 0.9127 -0.1946 0.3213 0.1086 81 PRO G CD 294 N N . GLN A 39 ? 0.9871 0.9806 0.9730 -0.2303 0.2880 0.0803 82 GLN G N 295 C CA . GLN A 39 ? 1.0069 0.9948 0.9896 -0.2573 0.2896 0.0721 82 GLN G CA 296 C C . GLN A 39 ? 1.0089 0.9924 0.9870 -0.2428 0.2633 0.0758 82 GLN G C 297 O O . GLN A 39 ? 1.0044 1.0400 1.0239 -0.2272 0.2412 0.0765 82 GLN G O 298 C CB . GLN A 39 ? 1.0214 1.0820 1.0676 -0.2826 0.2961 0.0562 82 GLN G CB 299 C CG . GLN A 39 ? 1.1693 1.2230 1.2086 -0.3195 0.3051 0.0440 82 GLN G CG 300 C CD . GLN A 39 ? 1.2596 1.3900 1.3646 -0.3442 0.3108 0.0266 82 GLN G CD 301 O OE1 . GLN A 39 ? 1.2815 1.4760 1.4453 -0.3319 0.3058 0.0243 82 GLN G OE1 302 N NE2 . GLN A 39 ? 1.2832 1.4065 1.3806 -0.3729 0.3165 0.0134 82 GLN G NE2 303 N N . GLU A 40 ? 1.0015 0.9199 0.9279 -0.2485 0.2671 0.0778 83 GLU G N 304 C CA . GLU A 40 ? 0.9489 0.8579 0.8675 -0.2386 0.2476 0.0771 83 GLU G CA 305 C C . GLU A 40 ? 1.0120 0.9103 0.9235 -0.2725 0.2558 0.0631 83 GLU G C 306 O O . GLU A 40 ? 1.1037 0.9466 0.9782 -0.2929 0.2773 0.0605 83 GLU G O 307 C CB . GLU A 40 ? 0.9742 0.8174 0.8442 -0.2111 0.2429 0.0885 83 GLU G CB 308 C CG . GLU A 40 ? 1.0130 0.8472 0.8775 -0.1996 0.2259 0.0848 83 GLU G CG 309 C CD . GLU A 40 ? 1.0288 0.8181 0.8627 -0.1658 0.2171 0.0950 83 GLU G CD 310 O OE1 . GLU A 40 ? 1.0090 0.7699 0.8202 -0.1526 0.2227 0.1066 83 GLU G OE1 311 O OE2 . GLU A 40 ? 0.8468 0.6318 0.6798 -0.1537 0.2046 0.0903 83 GLU G OE2 312 N N . ILE A 41 ? 0.9045 0.8538 0.8484 -0.2800 0.2385 0.0544 84 ILE G N 313 C CA . ILE A 41 ? 0.9682 0.9190 0.9100 -0.3155 0.2445 0.0380 84 ILE G CA 314 C C . ILE A 41 ? 0.9654 0.8910 0.8835 -0.3102 0.2322 0.0330 84 ILE G C 315 O O . ILE A 41 ? 0.7977 0.7672 0.7370 -0.2982 0.2095 0.0341 84 ILE G O 316 C CB . ILE A 41 ? 1.0188 1.0570 1.0183 -0.3368 0.2347 0.0283 84 ILE G CB 317 C CG1 . ILE A 41 ? 1.0289 1.1036 1.0643 -0.3355 0.2453 0.0314 84 ILE G CG1 318 C CG2 . ILE A 41 ? 1.0694 1.1090 1.0645 -0.3795 0.2447 0.0089 84 ILE G CG2 319 C CD1 . ILE A 41 ? 0.9995 1.1674 1.1034 -0.3467 0.2311 0.0239 84 ILE G CD1 320 N N . HIS A 42 ? 0.9931 0.8459 0.8668 -0.3200 0.2487 0.0270 85 HIS G N 321 C CA . HIS A 42 ? 1.1064 0.9292 0.9582 -0.3149 0.2421 0.0186 85 HIS G CA 322 C C . HIS A 42 ? 1.0807 0.9443 0.9474 -0.3497 0.2378 -0.0013 85 HIS G C 323 O O . HIS A 42 ? 1.2029 1.0612 1.0669 -0.3857 0.2539 -0.0146 85 HIS G O 324 C CB . HIS A 42 ? 1.3059 1.0334 1.1089 -0.3108 0.2612 0.0187 85 HIS G CB 325 C CG . HIS A 42 ? 1.4778 1.1637 1.2603 -0.2753 0.2607 0.0392 85 HIS G CG 326 N ND1 . HIS A 42 ? 1.5553 1.2224 1.3256 -0.2789 0.2742 0.0513 85 HIS G ND1 327 C CD2 . HIS A 42 ? 1.5086 1.1717 1.2805 -0.2374 0.2481 0.0485 85 HIS G CD2 328 C CE1 . HIS A 42 ? 1.5489 1.1815 1.2979 -0.2449 0.2683 0.0684 85 HIS G CE1 329 N NE2 . HIS A 42 ? 1.5426 1.1740 1.2948 -0.2186 0.2517 0.0668 85 HIS G NE2 330 N N . LEU A 43 ? 1.0219 0.9264 0.9016 -0.3412 0.2163 -0.0037 86 LEU G N 331 C CA . LEU A 43 ? 1.0937 1.0450 0.9849 -0.3737 0.2071 -0.0206 86 LEU G CA 332 C C . LEU A 43 ? 1.2052 1.1040 1.0597 -0.3910 0.2200 -0.0412 86 LEU G C 333 O O . LEU A 43 ? 1.3219 1.1951 1.1591 -0.3704 0.2160 -0.0427 86 LEU G O 334 C CB . LEU A 43 ? 1.0415 1.0601 0.9586 -0.3593 0.1772 -0.0116 86 LEU G CB 335 C CG . LEU A 43 ? 0.9368 1.0048 0.8940 -0.3374 0.1636 0.0083 86 LEU G CG 336 C CD1 . LEU A 43 ? 0.8343 0.9604 0.8128 -0.3251 0.1339 0.0180 86 LEU G CD1 337 C CD2 . LEU A 43 ? 0.9365 1.0409 0.9251 -0.3622 0.1713 0.0040 86 LEU G CD2 338 N N . GLU A 44 ? 1.1757 1.0602 1.0212 -0.4302 0.2373 -0.0593 87 GLU G N 339 C CA . GLU A 44 ? 1.2229 1.0518 1.0342 -0.4506 0.2544 -0.0822 87 GLU G CA 340 C C . GLU A 44 ? 1.2171 1.0972 1.0312 -0.4750 0.2395 -0.1004 87 GLU G C 341 O O . GLU A 44 ? 1.2235 1.1809 1.0650 -0.4929 0.2202 -0.0989 87 GLU G O 342 C CB . GLU A 44 ? 1.3429 1.1280 1.1394 -0.4852 0.2820 -0.0949 87 GLU G CB 343 C CG . GLU A 44 ? 1.5326 1.2319 1.2895 -0.4970 0.3061 -0.1145 87 GLU G CG 344 C CD . GLU A 44 ? 1.6667 1.3076 1.4039 -0.5166 0.3322 -0.1191 87 GLU G CD 345 O OE1 . GLU A 44 ? 1.6163 1.2750 1.3665 -0.5124 0.3321 -0.1040 87 GLU G OE1 346 O OE2 . GLU A 44 ? 1.7859 1.3666 1.4948 -0.5294 0.3501 -0.1385 87 GLU G OE2 347 N N . ASN A 45 ? 1.2601 1.0972 1.0459 -0.4752 0.2482 -0.1174 88 ASN G N 348 C CA . ASN A 45 ? 1.3244 1.2005 1.1023 -0.5002 0.2377 -0.1371 88 ASN G CA 349 C C . ASN A 45 ? 1.2086 1.1602 1.0065 -0.4852 0.2050 -0.1199 88 ASN G C 350 O O . ASN A 45 ? 1.1577 1.1650 0.9554 -0.5133 0.1886 -0.1287 88 ASN G O 351 C CB . ASN A 45 ? 1.3233 1.2243 1.0992 -0.5541 0.2444 -0.1600 88 ASN G CB 352 C CG . ASN A 45 ? 1.4140 1.2335 1.1636 -0.5751 0.2792 -0.1817 88 ASN G CG 353 O OD1 . ASN A 45 ? 1.4419 1.1859 1.1777 -0.5469 0.2967 -0.1743 88 ASN G OD1 354 N ND2 . ASN A 45 ? 1.4587 1.2947 1.1992 -0.6124 0.2842 -0.2062 88 ASN G ND2 355 N N . VAL A 46 ? 1.1224 1.0729 0.9344 -0.4420 0.1953 -0.0950 89 VAL G N 356 C CA . VAL A 46 ? 1.0031 1.0155 0.8337 -0.4247 0.1663 -0.0763 89 VAL G CA 357 C C . VAL A 46 ? 1.0891 1.0749 0.9063 -0.3913 0.1653 -0.0720 89 VAL G C 358 O O . VAL A 46 ? 1.2130 1.1505 1.0289 -0.3595 0.1769 -0.0648 89 VAL G O 359 C CB . VAL A 46 ? 0.9449 0.9945 0.8132 -0.4053 0.1534 -0.0506 89 VAL G CB 360 C CG1 . VAL A 46 ? 0.8500 0.9524 0.7365 -0.3835 0.1249 -0.0303 89 VAL G CG1 361 C CG2 . VAL A 46 ? 0.9648 1.0537 0.8549 -0.4392 0.1531 -0.0568 89 VAL G CG2 362 N N . THR A 47 ? 1.0244 1.0434 0.8305 -0.4002 0.1510 -0.0767 90 THR G N 363 C CA . THR A 47 ? 0.9978 1.0012 0.7938 -0.3730 0.1503 -0.0749 90 THR G CA 364 C C . THR A 47 ? 0.9298 0.9896 0.7385 -0.3617 0.1223 -0.0521 90 THR G C 365 O O . THR A 47 ? 0.9776 1.0846 0.7800 -0.3879 0.1042 -0.0513 90 THR G O 366 C CB . THR A 47 ? 1.0326 1.0121 0.7969 -0.3947 0.1656 -0.1054 90 THR G CB 367 O OG1 . THR A 47 ? 1.1186 1.0389 0.8727 -0.4035 0.1927 -0.1267 90 THR G OG1 368 C CG2 . THR A 47 ? 0.9759 0.9423 0.7351 -0.3669 0.1677 -0.1063 90 THR G CG2 369 N N . GLU A 48 ? 0.8481 0.9007 0.6730 -0.3232 0.1181 -0.0332 91 GLU G N 370 C CA . GLU A 48 ? 0.7826 0.8795 0.6212 -0.3090 0.0939 -0.0102 91 GLU G CA 371 C C . GLU A 48 ? 0.8239 0.9055 0.6500 -0.2881 0.0966 -0.0114 91 GLU G C 372 O O . GLU A 48 ? 0.9496 0.9881 0.7727 -0.2682 0.1146 -0.0219 91 GLU G O 373 C CB . GLU A 48 ? 0.7746 0.8856 0.6487 -0.2844 0.0859 0.0134 91 GLU G CB 374 C CG . GLU A 48 ? 0.9238 1.0770 0.8213 -0.3051 0.0743 0.0195 91 GLU G CG 375 C CD . GLU A 48 ? 1.0304 1.2426 0.9369 -0.3159 0.0446 0.0335 91 GLU G CD 376 O OE1 . GLU A 48 ? 1.0117 1.2287 0.9088 -0.3017 0.0332 0.0446 91 GLU G OE1 377 O OE2 . GLU A 48 ? 1.1509 1.4045 1.0738 -0.3390 0.0319 0.0338 91 GLU G OE2 378 N N . ASN A 49 ? 0.7812 0.8984 0.6008 -0.2932 0.0780 -0.0002 92 ASN G N 379 C CA . ASN A 49 ? 0.8227 0.9315 0.6335 -0.2751 0.0800 0.0008 92 ASN G CA 380 C C . ASN A 49 ? 0.7248 0.8402 0.5636 -0.2401 0.0700 0.0255 92 ASN G C 381 O O . ASN A 49 ? 0.7899 0.9326 0.6511 -0.2358 0.0535 0.0464 92 ASN G O 382 C CB . ASN A 49 ? 0.9202 1.0568 0.7014 -0.3019 0.0678 -0.0001 92 ASN G CB 383 C CG . ASN A 49 ? 1.0381 1.1630 0.7858 -0.3362 0.0833 -0.0308 92 ASN G CG 384 O OD1 . ASN A 49 ? 1.0637 1.1567 0.8020 -0.3316 0.1063 -0.0546 92 ASN G OD1 385 N ND2 . ASN A 49 ? 1.1288 1.2814 0.8604 -0.3709 0.0706 -0.0320 92 ASN G ND2 386 N N . PHE A 50 ? 0.6093 0.7015 0.4497 -0.2155 0.0807 0.0210 93 PHE G N 387 C CA . PHE A 50 ? 0.6131 0.7092 0.4764 -0.1842 0.0737 0.0404 93 PHE G CA 388 C C . PHE A 50 ? 0.6676 0.7675 0.5207 -0.1781 0.0736 0.0386 93 PHE G C 389 O O . PHE A 50 ? 0.7241 0.8174 0.5546 -0.1936 0.0840 0.0186 93 PHE G O 390 C CB . PHE A 50 ? 0.7097 0.7731 0.5885 -0.1572 0.0868 0.0378 93 PHE G CB 391 C CG . PHE A 50 ? 0.7537 0.8140 0.6452 -0.1604 0.0873 0.0450 93 PHE G CG 392 C CD1 . PHE A 50 ? 0.8560 0.9033 0.7353 -0.1842 0.0964 0.0308 93 PHE G CD1 393 C CD2 . PHE A 50 ? 0.7729 0.8422 0.6885 -0.1415 0.0814 0.0635 93 PHE G CD2 394 C CE1 . PHE A 50 ? 0.8653 0.9100 0.7561 -0.1903 0.0994 0.0358 93 PHE G CE1 395 C CE2 . PHE A 50 ? 0.7593 0.8274 0.6869 -0.1470 0.0852 0.0677 93 PHE G CE2 396 C CZ . PHE A 50 ? 0.8149 0.8711 0.7302 -0.1719 0.0941 0.0542 93 PHE G CZ 397 N N . ASN A 51 ? 0.6112 0.7212 0.4812 -0.1574 0.0641 0.0574 94 ASN G N 398 C CA . ASN A 51 ? 0.5803 0.6917 0.4433 -0.1508 0.0661 0.0557 94 ASN G CA 399 C C . ASN A 51 ? 0.6023 0.7131 0.4908 -0.1211 0.0622 0.0708 94 ASN G C 400 O O . ASN A 51 ? 0.6421 0.7690 0.5403 -0.1183 0.0479 0.0923 94 ASN G O 401 C CB . ASN A 51 ? 0.5414 0.6742 0.3795 -0.1769 0.0534 0.0649 94 ASN G CB 402 C CG . ASN A 51 ? 0.6755 0.8054 0.4978 -0.1790 0.0614 0.0570 94 ASN G CG 403 O OD1 . ASN A 51 ? 0.6782 0.7970 0.5165 -0.1573 0.0731 0.0475 94 ASN G OD1 404 N ND2 . ASN A 51 ? 0.8156 0.9567 0.6050 -0.2071 0.0550 0.0606 94 ASN G ND2 405 N N . MET A 52 ? 0.5486 0.6401 0.4479 -0.0989 0.0745 0.0589 95 MET G N 406 C CA . MET A 52 ? 0.5366 0.6262 0.4572 -0.0719 0.0726 0.0692 95 MET G CA 407 C C . MET A 52 ? 0.5210 0.6242 0.4420 -0.0711 0.0676 0.0769 95 MET G C 408 O O . MET A 52 ? 0.4554 0.5607 0.3936 -0.0540 0.0637 0.0887 95 MET G O 409 C CB . MET A 52 ? 0.5482 0.6161 0.4747 -0.0508 0.0844 0.0532 95 MET G CB 410 C CG . MET A 52 ? 0.6022 0.6684 0.5208 -0.0548 0.0948 0.0300 95 MET G CG 411 S SD . MET A 52 ? 0.5425 0.5898 0.4771 -0.0240 0.1032 0.0132 95 MET G SD 412 C CE . MET A 52 ? 0.4265 0.4860 0.3775 -0.0027 0.0943 0.0290 95 MET G CE 413 N N . TRP A 53 ? 0.6154 0.7253 0.5149 -0.0919 0.0694 0.0693 96 TRP G N 414 C CA . TRP A 53 ? 0.6343 0.7515 0.5279 -0.0954 0.0678 0.0748 96 TRP G CA 415 C C . TRP A 53 ? 0.5766 0.7037 0.4620 -0.1081 0.0504 0.1013 96 TRP G C 416 O O . TRP A 53 ? 0.6436 0.7709 0.5238 -0.1100 0.0468 0.1121 96 TRP G O 417 C CB . TRP A 53 ? 0.6597 0.7777 0.5323 -0.1130 0.0816 0.0514 96 TRP G CB 418 C CG . TRP A 53 ? 0.6734 0.7834 0.5615 -0.0968 0.0966 0.0255 96 TRP G CG 419 C CD1 . TRP A 53 ? 0.5916 0.6922 0.4758 -0.1011 0.1061 0.0060 96 TRP G CD1 420 C CD2 . TRP A 53 ? 0.6951 0.8051 0.6070 -0.0720 0.1020 0.0169 96 TRP G CD2 421 N NE1 . TRP A 53 ? 0.6274 0.7203 0.5331 -0.0779 0.1159 -0.0125 96 TRP G NE1 422 C CE2 . TRP A 53 ? 0.6023 0.7037 0.5250 -0.0600 0.1123 -0.0061 96 TRP G CE2 423 C CE3 . TRP A 53 ? 0.6373 0.7534 0.5625 -0.0593 0.0987 0.0255 96 TRP G CE3 424 C CZ2 . TRP A 53 ? 0.5763 0.6789 0.5234 -0.0345 0.1160 -0.0187 96 TRP G CZ2 425 C CZ3 . TRP A 53 ? 0.6845 0.8032 0.6318 -0.0372 0.1043 0.0107 96 TRP G CZ3 426 C CH2 . TRP A 53 ? 0.5722 0.6861 0.5306 -0.0244 0.1112 -0.0103 96 TRP G CH2 427 N N . LYS A 54 ? 0.5362 0.6713 0.4219 -0.1165 0.0390 0.1116 97 LYS G N 428 C CA . LYS A 54 ? 0.5874 0.7361 0.4724 -0.1248 0.0181 0.1380 97 LYS G CA 429 C C . LYS A 54 ? 0.6183 0.7772 0.5363 -0.1109 0.0093 0.1494 97 LYS G C 430 O O . LYS A 54 ? 0.7127 0.8895 0.6325 -0.1232 -0.0061 0.1609 97 LYS G O 431 C CB . LYS A 54 ? 0.6198 0.7778 0.4678 -0.1577 0.0098 0.1383 97 LYS G CB 432 C CG . LYS A 54 ? 0.7834 0.9329 0.5950 -0.1763 0.0189 0.1294 97 LYS G CG 433 C CD . LYS A 54 ? 0.8560 0.9999 0.6645 -0.1717 0.0090 0.1527 97 LYS G CD 434 C CE . LYS A 54 ? 0.9164 1.0500 0.6881 -0.1924 0.0224 0.1415 97 LYS G CE 435 N NZ . LYS A 54 ? 0.8857 1.0134 0.6735 -0.1796 0.0472 0.1129 97 LYS G NZ 436 N N . ASN A 55 ? 0.6544 0.8039 0.5982 -0.0865 0.0196 0.1448 98 ASN G N 437 C CA . ASN A 55 ? 0.6265 0.7835 0.6012 -0.0739 0.0171 0.1518 98 ASN G CA 438 C C . ASN A 55 ? 0.6041 0.7649 0.6079 -0.0538 0.0117 0.1680 98 ASN G C 439 O O . ASN A 55 ? 0.6288 0.7756 0.6382 -0.0375 0.0224 0.1626 98 ASN G O 440 C CB . ASN A 55 ? 0.5230 0.6623 0.4990 -0.0641 0.0342 0.1340 98 ASN G CB 441 C CG . ASN A 55 ? 0.5344 0.6781 0.5368 -0.0545 0.0357 0.1395 98 ASN G CG 442 O OD1 . ASN A 55 ? 0.6025 0.7688 0.6262 -0.0584 0.0244 0.1526 98 ASN G OD1 443 N ND2 . ASN A 55 ? 0.5387 0.6616 0.5399 -0.0423 0.0498 0.1292 98 ASN G ND2 444 N N . ASN A 56 ? 0.5950 0.7756 0.6195 -0.0550 -0.0051 0.1868 99 ASN G N 445 C CA . ASN A 56 ? 0.6311 0.8134 0.6853 -0.0364 -0.0109 0.2025 99 ASN G CA 446 C C . ASN A 56 ? 0.5465 0.7282 0.6347 -0.0162 0.0021 0.1966 99 ASN G C 447 O O . ASN A 56 ? 0.4165 0.5976 0.5320 0.0001 0.0017 0.2052 99 ASN G O 448 C CB . ASN A 56 ? 0.6821 0.8870 0.7525 -0.0412 -0.0354 0.2251 99 ASN G CB 449 C CG . ASN A 56 ? 0.8994 1.0969 0.9337 -0.0568 -0.0494 0.2379 99 ASN G CG 450 O OD1 . ASN A 56 ? 0.9055 1.0847 0.9024 -0.0682 -0.0383 0.2263 99 ASN G OD1 451 N ND2 . ASN A 56 ? 1.0023 1.2142 1.0476 -0.0578 -0.0741 0.2620 99 ASN G ND2 452 N N . MET A 57 ? 0.4794 0.6578 0.5633 -0.0184 0.0148 0.1818 100 MET G N 453 C CA . MET A 57 ? 0.5293 0.7009 0.6326 -0.0027 0.0300 0.1746 100 MET G CA 454 C C . MET A 57 ? 0.5920 0.7426 0.6851 0.0110 0.0397 0.1687 100 MET G C 455 O O . MET A 57 ? 0.5675 0.7148 0.6798 0.0254 0.0481 0.1676 100 MET G O 456 C CB . MET A 57 ? 0.5716 0.7347 0.6612 -0.0102 0.0417 0.1614 100 MET G CB 457 C CG . MET A 57 ? 0.5448 0.7292 0.6441 -0.0276 0.0350 0.1633 100 MET G CG 458 S SD . MET A 57 ? 0.5722 0.7352 0.6479 -0.0394 0.0514 0.1473 100 MET G SD 459 C CE . MET A 57 ? 0.3743 0.5289 0.4686 -0.0244 0.0686 0.1456 100 MET G CE 460 N N . VAL A 58 ? 0.5405 0.6796 0.6040 0.0044 0.0393 0.1626 101 VAL G N 461 C CA . VAL A 58 ? 0.5605 0.6849 0.6146 0.0141 0.0475 0.1544 101 VAL G CA 462 C C . VAL A 58 ? 0.5812 0.7059 0.6537 0.0218 0.0441 0.1656 101 VAL G C 463 O O . VAL A 58 ? 0.4847 0.6008 0.5648 0.0339 0.0536 0.1592 101 VAL G O 464 C CB . VAL A 58 ? 0.5758 0.6941 0.6002 0.0024 0.0483 0.1440 101 VAL G CB 465 C CG1 . VAL A 58 ? 0.6477 0.7579 0.6679 0.0101 0.0559 0.1345 101 VAL G CG1 466 C CG2 . VAL A 58 ? 0.5044 0.6164 0.5138 -0.0016 0.0542 0.1303 101 VAL G CG2 467 N N . GLU A 59 ? 0.5095 0.6424 0.5878 0.0143 0.0299 0.1825 102 GLU G N 468 C CA . GLU A 59 ? 0.5010 0.6279 0.5964 0.0222 0.0251 0.1961 102 GLU G CA 469 C C . GLU A 59 ? 0.5471 0.6776 0.6821 0.0405 0.0319 0.1966 102 GLU G C 470 O O . GLU A 59 ? 0.5682 0.6853 0.7142 0.0509 0.0400 0.1947 102 GLU G O 471 C CB . GLU A 59 ? 0.5639 0.6980 0.6568 0.0119 0.0045 0.2178 102 GLU G CB 472 C CG . GLU A 59 ? 0.6127 0.7433 0.6618 -0.0105 -0.0007 0.2167 102 GLU G CG 473 C CD . GLU A 59 ? 0.7069 0.8170 0.7308 -0.0155 0.0110 0.2076 102 GLU G CD 474 O OE1 . GLU A 59 ? 0.6780 0.7735 0.7145 -0.0054 0.0147 0.2132 102 GLU G OE1 475 O OE2 . GLU A 59 ? 0.8001 0.9097 0.7943 -0.0302 0.0179 0.1928 102 GLU G OE2 476 N N . GLN A 60 ? 0.5214 0.6700 0.6777 0.0424 0.0309 0.1966 103 GLN G N 477 C CA . GLN A 60 ? 0.5625 0.7182 0.7586 0.0572 0.0400 0.1946 103 GLN G CA 478 C C . GLN A 60 ? 0.4623 0.6030 0.6483 0.0641 0.0606 0.1763 103 GLN G C 479 O O . GLN A 60 ? 0.5480 0.6832 0.7556 0.0756 0.0708 0.1724 103 GLN G O 480 C CB . GLN A 60 ? 0.4372 0.6193 0.6586 0.0537 0.0362 0.1963 103 GLN G CB 481 C CG . GLN A 60 ? 0.4808 0.6734 0.7453 0.0667 0.0497 0.1902 103 GLN G CG 482 C CD . GLN A 60 ? 0.5651 0.7916 0.8685 0.0637 0.0430 0.1942 103 GLN G CD 483 O OE1 . GLN A 60 ? 0.5830 0.8267 0.8836 0.0528 0.0244 0.2043 103 GLN G OE1 484 N NE2 . GLN A 60 ? 0.5633 0.8022 0.9037 0.0714 0.0590 0.1843 103 GLN G NE2 485 N N . MET A 61 ? 0.4807 0.6143 0.6337 0.0572 0.0660 0.1650 104 MET G N 486 C CA . MET A 61 ? 0.4685 0.5884 0.6069 0.0638 0.0811 0.1499 104 MET G CA 487 C C . MET A 61 ? 0.4742 0.5821 0.6067 0.0688 0.0842 0.1451 104 MET G C 488 O O . MET A 61 ? 0.4281 0.5296 0.5652 0.0763 0.0960 0.1354 104 MET G O 489 C CB . MET A 61 ? 0.4474 0.5589 0.5522 0.0580 0.0827 0.1412 104 MET G CB 490 C CG . MET A 61 ? 0.5117 0.6099 0.5999 0.0659 0.0942 0.1287 104 MET G CG 491 S SD . MET A 61 ? 0.5654 0.6475 0.6160 0.0648 0.0936 0.1208 104 MET G SD 492 C CE . MET A 61 ? 0.6455 0.7284 0.6984 0.0538 0.0954 0.1276 104 MET G CE 493 N N . GLN A 62 ? 0.4406 0.5455 0.5607 0.0617 0.0748 0.1506 105 GLN G N 494 C CA . GLN A 62 ? 0.4378 0.5310 0.5520 0.0622 0.0786 0.1460 105 GLN G CA 495 C C . GLN A 62 ? 0.4482 0.5346 0.5921 0.0715 0.0841 0.1508 105 GLN G C 496 O O . GLN A 62 ? 0.3797 0.4568 0.5244 0.0757 0.0959 0.1385 105 GLN G O 497 C CB . GLN A 62 ? 0.3669 0.4573 0.4626 0.0491 0.0688 0.1535 105 GLN G CB 498 C CG . GLN A 62 ? 0.3973 0.4735 0.4867 0.0456 0.0742 0.1501 105 GLN G CG 499 C CD . GLN A 62 ? 0.5441 0.6221 0.6171 0.0440 0.0841 0.1277 105 GLN G CD 500 O OE1 . GLN A 62 ? 0.5444 0.6312 0.6119 0.0495 0.0861 0.1163 105 GLN G OE1 501 N NE2 . GLN A 62 ? 0.3938 0.4635 0.4594 0.0360 0.0898 0.1216 105 GLN G NE2 502 N N . GLU A 63 ? 0.4958 0.5880 0.6662 0.0748 0.0752 0.1675 106 GLU G N 503 C CA . GLU A 63 ? 0.4912 0.5764 0.6978 0.0867 0.0798 0.1727 106 GLU G CA 504 C C . GLU A 63 ? 0.5544 0.6428 0.7785 0.0955 0.0984 0.1557 106 GLU G C 505 O O . GLU A 63 ? 0.4890 0.5644 0.7291 0.1024 0.1108 0.1481 106 GLU G O 506 C CB . GLU A 63 ? 0.4519 0.5496 0.6897 0.0913 0.0636 0.1936 106 GLU G CB 507 C CG . GLU A 63 ? 0.6348 0.7256 0.8538 0.0820 0.0438 0.2138 106 GLU G CG 508 C CD . GLU A 63 ? 0.9365 1.0442 1.1866 0.0875 0.0236 0.2354 106 GLU G CD 509 O OE1 . GLU A 63 ? 1.1398 1.2407 1.3742 0.0803 0.0046 0.2556 106 GLU G OE1 510 O OE2 . GLU A 63 ? 0.9394 1.0690 1.2295 0.0978 0.0264 0.2319 106 GLU G OE2 511 N N . ASP A 64 ? 0.5511 0.6541 0.7691 0.0932 0.1018 0.1492 107 ASP G N 512 C CA . ASP A 64 ? 0.5282 0.6336 0.7548 0.0975 0.1202 0.1339 107 ASP G CA 513 C C . ASP A 64 ? 0.5300 0.6206 0.7278 0.0962 0.1316 0.1169 107 ASP G C 514 O O . ASP A 64 ? 0.6054 0.6901 0.8153 0.1003 0.1471 0.1047 107 ASP G O 515 C CB . ASP A 64 ? 0.5373 0.6560 0.7549 0.0916 0.1212 0.1324 107 ASP G CB 516 C CG . ASP A 64 ? 0.5154 0.6561 0.7731 0.0928 0.1158 0.1426 107 ASP G CG 517 O OD1 . ASP A 64 ? 0.4629 0.6093 0.7605 0.1022 0.1123 0.1499 107 ASP G OD1 518 O OD2 . ASP A 64 ? 0.5048 0.6572 0.7559 0.0845 0.1149 0.1429 107 ASP G OD2 519 N N . VAL A 65 ? 0.4641 0.5511 0.6261 0.0900 0.1239 0.1145 108 VAL G N 520 C CA . VAL A 65 ? 0.4513 0.5311 0.5876 0.0890 0.1309 0.0980 108 VAL G CA 521 C C . VAL A 65 ? 0.5100 0.5794 0.6571 0.0890 0.1370 0.0919 108 VAL G C 522 O O . VAL A 65 ? 0.5206 0.5855 0.6631 0.0890 0.1493 0.0759 108 VAL G O 523 C CB . VAL A 65 ? 0.4461 0.5282 0.5504 0.0847 0.1200 0.0958 108 VAL G CB 524 C CG1 . VAL A 65 ? 0.4608 0.5418 0.5443 0.0853 0.1240 0.0785 108 VAL G CG1 525 C CG2 . VAL A 65 ? 0.3643 0.4496 0.4563 0.0841 0.1156 0.1014 108 VAL G CG2 526 N N . ILE A 66 ? 0.4938 0.5570 0.6518 0.0870 0.1289 0.1049 109 ILE G N 527 C CA . ILE A 66 ? 0.4440 0.4900 0.6125 0.0858 0.1356 0.1022 109 ILE G CA 528 C C . ILE A 66 ? 0.5008 0.5391 0.7011 0.0948 0.1505 0.0967 109 ILE G C 529 O O . ILE A 66 ? 0.5449 0.5713 0.7461 0.0930 0.1648 0.0806 109 ILE G O 530 C CB . ILE A 66 ? 0.4273 0.4626 0.5996 0.0818 0.1232 0.1225 109 ILE G CB 531 C CG1 . ILE A 66 ? 0.4643 0.5054 0.6034 0.0691 0.1141 0.1220 109 ILE G CG1 532 C CG2 . ILE A 66 ? 0.4477 0.4569 0.6344 0.0822 0.1317 0.1233 109 ILE G CG2 533 C CD1 . ILE A 66 ? 0.4987 0.5283 0.6313 0.0605 0.1026 0.1417 109 ILE G CD1 534 N N . SER A 67 ? 0.4604 0.5078 0.6892 0.1032 0.1482 0.1075 110 SER G N 535 C CA . SER A 67 ? 0.5257 0.5707 0.7924 0.1128 0.1639 0.1003 110 SER G CA 536 C C . SER A 67 ? 0.5634 0.6118 0.8141 0.1087 0.1830 0.0760 110 SER G C 537 O O . SER A 67 ? 0.5672 0.6047 0.8332 0.1105 0.2014 0.0604 110 SER G O 538 C CB . SER A 67 ? 0.5949 0.6587 0.8974 0.1212 0.1568 0.1141 110 SER G CB 539 O OG . SER A 67 ? 0.8062 0.8727 1.1502 0.1305 0.1747 0.1031 110 SER G OG 540 N N . LEU A 68 ? 0.5260 0.5870 0.7433 0.1025 0.1784 0.0731 111 LEU G N 541 C CA . LEU A 68 ? 0.6008 0.6635 0.7920 0.0971 0.1921 0.0539 111 LEU G CA 542 C C . LEU A 68 ? 0.5971 0.6493 0.7688 0.0915 0.1979 0.0373 111 LEU G C 543 O O . LEU A 68 ? 0.6200 0.6671 0.7925 0.0884 0.2160 0.0188 111 LEU G O 544 C CB . LEU A 68 ? 0.6203 0.6919 0.7754 0.0929 0.1814 0.0587 111 LEU G CB 545 C CG . LEU A 68 ? 0.6559 0.7275 0.7789 0.0873 0.1917 0.0464 111 LEU G CG 546 C CD1 . LEU A 68 ? 0.6060 0.6805 0.7070 0.0854 0.1818 0.0582 111 LEU G CD1 547 C CD2 . LEU A 68 ? 0.5465 0.6140 0.6348 0.0832 0.1905 0.0319 111 LEU G CD2 548 N N . TRP A 69 ? 0.5041 0.5551 0.6591 0.0881 0.1841 0.0417 112 TRP G N 549 C CA . TRP A 69 ? 0.4925 0.5394 0.6299 0.0804 0.1880 0.0245 112 TRP G CA 550 C C . TRP A 69 ? 0.6559 0.6833 0.8185 0.0788 0.2035 0.0163 112 TRP G C 551 O O . TRP A 69 ? 0.7475 0.7709 0.9018 0.0715 0.2171 -0.0053 112 TRP G O 552 C CB . TRP A 69 ? 0.4728 0.5263 0.5923 0.0760 0.1715 0.0297 112 TRP G CB 553 C CG . TRP A 69 ? 0.5125 0.5827 0.6021 0.0766 0.1599 0.0264 112 TRP G CG 554 C CD1 . TRP A 69 ? 0.4808 0.5556 0.5604 0.0821 0.1532 0.0367 112 TRP G CD1 555 C CD2 . TRP A 69 ? 0.4790 0.5625 0.5474 0.0722 0.1529 0.0120 112 TRP G CD2 556 N NE1 . TRP A 69 ? 0.4647 0.5493 0.5161 0.0831 0.1421 0.0314 112 TRP G NE1 557 C CE2 . TRP A 69 ? 0.4771 0.5702 0.5238 0.0785 0.1406 0.0160 112 TRP G CE2 558 C CE3 . TRP A 69 ? 0.4892 0.5779 0.5568 0.0633 0.1560 -0.0049 112 TRP G CE3 559 C CZ2 . TRP A 69 ? 0.4952 0.6045 0.5234 0.0796 0.1289 0.0051 112 TRP G CZ2 560 C CZ3 . TRP A 69 ? 0.5865 0.6968 0.6371 0.0621 0.1453 -0.0179 112 TRP G CZ3 561 C CH2 . TRP A 69 ? 0.5443 0.6654 0.5771 0.0719 0.1307 -0.0123 112 TRP G CH2 562 N N . ASP A 70 ? 0.7440 0.7578 0.9361 0.0851 0.2005 0.0338 113 ASP G N 563 C CA . ASP A 70 ? 0.8105 0.7983 1.0294 0.0863 0.2142 0.0298 113 ASP G CA 564 C C . ASP A 70 ? 0.9187 0.9022 1.1585 0.0901 0.2369 0.0110 113 ASP G C 565 O O . ASP A 70 ? 1.0320 0.9973 1.2762 0.0844 0.2544 -0.0076 113 ASP G O 566 C CB . ASP A 70 ? 0.7986 0.7723 1.0459 0.0960 0.2029 0.0567 113 ASP G CB 567 C CG . ASP A 70 ? 0.8919 0.8540 1.1180 0.0865 0.1896 0.0697 113 ASP G CG 568 O OD1 . ASP A 70 ? 0.9339 0.8976 1.1322 0.0728 0.1933 0.0542 113 ASP G OD1 569 O OD2 . ASP A 70 ? 0.9182 0.8712 1.1556 0.0915 0.1756 0.0948 113 ASP G OD2 570 N N . GLN A 71 ? 0.8495 0.8497 1.1017 0.0974 0.2388 0.0139 114 GLN G N 571 C CA . GLN A 71 ? 0.9878 0.9865 1.2643 0.1003 0.2629 -0.0044 114 GLN G CA 572 C C . GLN A 71 ? 0.9355 0.9443 1.1733 0.0869 0.2758 -0.0288 114 GLN G C 573 O O . GLN A 71 ? 1.0305 1.0395 1.2794 0.0848 0.2983 -0.0472 114 GLN G O 574 C CB . GLN A 71 ? 1.1013 1.1157 1.4143 0.1124 0.2613 0.0085 114 GLN G CB 575 C CG . GLN A 71 ? 1.2342 1.2405 1.5926 0.1276 0.2485 0.0318 114 GLN G CG 576 C CD . GLN A 71 ? 1.2702 1.2997 1.6711 0.1390 0.2467 0.0410 114 GLN G CD 577 O OE1 . GLN A 71 ? 1.2349 1.2878 1.6193 0.1330 0.2450 0.0403 114 GLN G OE1 578 N NE2 . GLN A 71 ? 1.2720 1.2948 1.7295 0.1556 0.2469 0.0493 114 GLN G NE2 579 N N . SER A 72 ? 0.8946 0.9123 1.0871 0.0777 0.2616 -0.0297 115 SER G N 580 C CA . SER A 72 ? 0.8526 0.8815 1.0033 0.0665 0.2672 -0.0477 115 SER G CA 581 C C . SER A 72 ? 0.7711 0.8025 0.8885 0.0549 0.2614 -0.0626 115 SER G C 582 O O . SER A 72 ? 0.7730 0.8069 0.8667 0.0434 0.2733 -0.0853 115 SER G O 583 C CB . SER A 72 ? 0.9273 0.9715 1.0530 0.0688 0.2523 -0.0325 115 SER G CB 584 O OG . SER A 72 ? 1.0168 1.0638 1.1739 0.0764 0.2584 -0.0214 115 SER G OG 585 N N . LEU A 73 ? 0.6805 0.7143 0.7957 0.0562 0.2433 -0.0516 116 LEU G N 586 C CA . LEU A 73 ? 0.6558 0.6980 0.7470 0.0447 0.2377 -0.0675 116 LEU G CA 587 C C . LEU A 73 ? 0.7541 0.7767 0.8679 0.0380 0.2491 -0.0758 116 LEU G C 588 O O . LEU A 73 ? 0.7454 0.7683 0.8596 0.0348 0.2386 -0.0693 116 LEU G O 589 C CB . LEU A 73 ? 0.6474 0.7089 0.7194 0.0479 0.2124 -0.0551 116 LEU G CB 590 C CG . LEU A 73 ? 0.7569 0.8356 0.7953 0.0514 0.1991 -0.0526 116 LEU G CG 591 C CD1 . LEU A 73 ? 0.8452 0.9173 0.8887 0.0611 0.1986 -0.0328 116 LEU G CD1 592 C CD2 . LEU A 73 ? 0.7147 0.8134 0.7374 0.0532 0.1766 -0.0508 116 LEU G CD2 593 N N . GLN A 74 ? 0.7736 0.7767 0.9050 0.0346 0.2728 -0.0912 117 GLN G N 594 C CA . GLN A 74 ? 0.8837 0.8590 1.0368 0.0283 0.2868 -0.0991 117 GLN G CA 595 C C . GLN A 74 ? 0.8379 0.8211 0.9670 0.0081 0.2904 -0.1252 117 GLN G C 596 O O . GLN A 74 ? 0.7841 0.7836 0.8899 -0.0021 0.2965 -0.1483 117 GLN G O 597 C CB . GLN A 74 ? 0.9870 0.9367 1.1722 0.0334 0.3125 -0.1088 117 GLN G CB 598 C CG . GLN A 74 ? 1.0099 0.9606 1.2245 0.0526 0.3102 -0.0879 117 GLN G CG 599 C CD . GLN A 74 ? 1.0782 1.0066 1.3342 0.0597 0.3365 -0.0999 117 GLN G CD 600 O OE1 . GLN A 74 ? 1.1023 1.0044 1.3689 0.0524 0.3558 -0.1189 117 GLN G OE1 601 N NE2 . GLN A 74 ? 1.1109 1.0500 1.3933 0.0734 0.3390 -0.0909 117 GLN G NE2 602 N N . PRO A 75 ? 0.7515 0.7245 0.8845 0.0003 0.2867 -0.1220 118 PRO G N 603 C CA . PRO A 75 ? 0.7789 0.7618 0.8952 -0.0214 0.2910 -0.1480 118 PRO G CA 604 C C . PRO A 75 ? 0.8711 0.8266 0.9958 -0.0354 0.3193 -0.1751 118 PRO G C 605 O O . PRO A 75 ? 0.8874 0.8076 1.0380 -0.0263 0.3361 -0.1698 118 PRO G O 606 C CB . PRO A 75 ? 0.7754 0.7487 0.8972 -0.0259 0.2825 -0.1327 118 PRO G CB 607 C CG . PRO A 75 ? 0.7917 0.7581 0.9249 -0.0059 0.2680 -0.0978 118 PRO G CG 608 C CD . PRO A 75 ? 0.7409 0.6943 0.8918 0.0093 0.2773 -0.0929 118 PRO G CD 609 N N . CYS A 76 ? 0.9192 0.8923 1.0249 -0.0572 0.3245 -0.2054 119 CYS G N 610 C CA . CYS A 76 ? 0.9402 0.8856 1.0518 -0.0754 0.3529 -0.2347 119 CYS G CA 611 C C . CYS A 76 ? 0.8860 0.7867 1.0188 -0.0802 0.3641 -0.2250 119 CYS G C 612 O O . CYS A 76 ? 0.9603 0.8148 1.1135 -0.0808 0.3880 -0.2308 119 CYS G O 613 C CB . CYS A 76 ? 0.9777 0.9583 1.0622 -0.1005 0.3526 -0.2698 119 CYS G CB 614 S SG . CYS A 76 ? 1.2750 1.3137 1.3241 -0.0951 0.3267 -0.2729 119 CYS G SG 615 N N . VAL A 77 ? 0.7142 0.6274 0.8409 -0.0839 0.3472 -0.2103 120 VAL G N 616 C CA . VAL A 77 ? 0.8269 0.6981 0.9643 -0.0909 0.3546 -0.1964 120 VAL G CA 617 C C . VAL A 77 ? 0.8641 0.7429 1.0008 -0.0765 0.3310 -0.1602 120 VAL G C 618 O O . VAL A 77 ? 0.8417 0.7668 0.9646 -0.0751 0.3110 -0.1586 120 VAL G O 619 C CB . VAL A 77 ? 0.8307 0.7071 0.9553 -0.1233 0.3654 -0.2246 120 VAL G CB 620 C CG1 . VAL A 77 ? 0.9473 0.7733 1.0766 -0.1333 0.3750 -0.2081 120 VAL G CG1 621 C CG2 . VAL A 77 ? 0.7775 0.6489 0.8998 -0.1413 0.3887 -0.2638 120 VAL G CG2 622 N N . LYS A 78 ? 0.9139 0.7467 1.0654 -0.0655 0.3328 -0.1315 121 LYS G N 623 C CA . LYS A 78 ? 0.9563 0.7927 1.1036 -0.0555 0.3114 -0.0975 121 LYS G CA 624 C C . LYS A 78 ? 0.9067 0.7041 1.0446 -0.0734 0.3174 -0.0864 121 LYS G C 625 O O . LYS A 78 ? 0.8958 0.6371 1.0450 -0.0706 0.3285 -0.0724 121 LYS G O 626 C CB . LYS A 78 ? 1.0601 0.8825 1.2288 -0.0267 0.3018 -0.0678 121 LYS G CB 627 C CG . LYS A 78 ? 1.0501 0.8908 1.2110 -0.0163 0.2764 -0.0367 121 LYS G CG 628 C CD . LYS A 78 ? 1.0771 0.8929 1.2624 0.0073 0.2681 -0.0048 121 LYS G CD 629 C CE . LYS A 78 ? 1.1478 0.9699 1.3607 0.0254 0.2768 -0.0143 121 LYS G CE 630 N NZ . LYS A 78 ? 1.1842 1.0561 1.3852 0.0294 0.2679 -0.0247 121 LYS G NZ 631 N N . LEU A 79 ? 0.8385 0.6645 0.9561 -0.0921 0.3108 -0.0930 122 LEU G N 632 C CA . LEU A 79 ? 0.8878 0.6808 0.9899 -0.1139 0.3175 -0.0834 122 LEU G CA 633 C C . LEU A 79 ? 0.9871 0.7743 1.0792 -0.1036 0.2977 -0.0455 122 LEU G C 634 O O . LEU A 79 ? 0.9349 0.7663 1.0163 -0.1050 0.2832 -0.0453 122 LEU G O 635 C CB . LEU A 79 ? 0.8464 0.6766 0.9346 -0.1437 0.3247 -0.1154 122 LEU G CB 636 C CG . LEU A 79 ? 0.8958 0.7442 0.9904 -0.1586 0.3410 -0.1569 122 LEU G CG 637 C CD1 . LEU A 79 ? 0.9794 0.8661 1.0648 -0.1895 0.3464 -0.1859 122 LEU G CD1 638 C CD2 . LEU A 79 ? 0.9814 0.7660 1.0834 -0.1647 0.3653 -0.1611 122 LEU G CD2 639 N N . THR A 80 ? 1.0910 0.8236 1.1871 -0.0932 0.2965 -0.0142 123 THR G N 640 C CA . THR A 80 ? 1.1850 0.9104 1.2691 -0.0846 0.2758 0.0233 123 THR G CA 641 C C . THR A 80 ? 1.2975 0.9521 1.3725 -0.0885 0.2788 0.0536 123 THR G C 642 O O . THR A 80 ? 1.4126 1.0226 1.5088 -0.0768 0.2887 0.0580 123 THR G O 643 C CB . THR A 80 ? 1.2554 1.0082 1.3608 -0.0524 0.2559 0.0396 123 THR G CB 644 O OG1 . THR A 80 ? 1.4347 1.1783 1.5284 -0.0462 0.2355 0.0758 123 THR G OG1 645 C CG2 . THR A 80 ? 1.1664 0.8933 1.3060 -0.0307 0.2642 0.0398 123 THR G CG2 646 N N . GLY A 81 ? 1.2573 0.9003 1.2993 -0.1056 0.2708 0.0742 124 GLY G N 647 C CA . GLY A 81 ? 1.3100 0.8849 1.3335 -0.1105 0.2686 0.1092 124 GLY G CA 648 C C . GLY A 81 ? 1.3323 0.8454 1.3516 -0.1284 0.2944 0.0994 124 GLY G C 649 O O . GLY A 81 ? 1.4269 0.8774 1.4542 -0.1156 0.2939 0.1249 124 GLY G O 650 N N . GLY A 82 ? 1.3130 0.8437 1.3221 -0.1576 0.3168 0.0618 198 GLY G N 651 C CA . GLY A 82 ? 1.3502 0.8242 1.3518 -0.1812 0.3445 0.0474 198 GLY G CA 652 C C . GLY A 82 ? 1.3781 0.8331 1.4176 -0.1641 0.3594 0.0278 198 GLY G C 653 O O . GLY A 82 ? 1.4234 0.8426 1.4609 -0.1857 0.3860 0.0044 198 GLY G O 654 N N . SER A 83 ? 1.3596 0.8386 1.4331 -0.1278 0.3445 0.0351 199 SER G N 655 C CA . SER A 83 ? 1.3408 0.8046 1.4519 -0.1104 0.3597 0.0157 199 SER G CA 656 C C . SER A 83 ? 1.2550 0.7886 1.3786 -0.1119 0.3652 -0.0258 199 SER G C 657 O O . SER A 83 ? 1.2219 0.8170 1.3318 -0.1177 0.3518 -0.0336 199 SER G O 658 C CB . SER A 83 ? 1.3559 0.7994 1.5004 -0.0702 0.3430 0.0480 199 SER G CB 659 O OG . SER A 83 ? 1.2947 0.8003 1.4463 -0.0510 0.3178 0.0587 199 SER G OG 660 N N . VAL A 84 ? 1.2499 0.7713 1.3983 -0.1068 0.3850 -0.0523 200 VAL G N 661 C CA . VAL A 84 ? 1.1490 0.7302 1.3047 -0.1096 0.3907 -0.0911 200 VAL G CA 662 C C . VAL A 84 ? 1.1462 0.7265 1.3368 -0.0806 0.3945 -0.0948 200 VAL G C 663 O O . VAL A 84 ? 1.2731 0.7984 1.4866 -0.0730 0.4127 -0.0958 200 VAL G O 664 C CB . VAL A 84 ? 1.2368 0.8139 1.3800 -0.1448 0.4173 -0.1335 200 VAL G CB 665 C CG1 . VAL A 84 ? 1.1449 0.7844 1.2921 -0.1472 0.4194 -0.1715 200 VAL G CG1 666 C CG2 . VAL A 84 ? 1.3133 0.8968 1.4257 -0.1765 0.4168 -0.1343 200 VAL G CG2 667 N N . ILE A 85 ? 1.0755 0.7151 1.2707 -0.0652 0.3789 -0.0978 201 ILE G N 668 C CA . ILE A 85 ? 1.0755 0.7208 1.3019 -0.0402 0.3834 -0.1022 201 ILE G CA 669 C C . ILE A 85 ? 1.0787 0.7718 1.2963 -0.0500 0.3926 -0.1410 201 ILE G C 670 O O . ILE A 85 ? 1.0200 0.7681 1.2166 -0.0532 0.3752 -0.1445 201 ILE G O 671 C CB . ILE A 85 ? 1.0345 0.7016 1.2753 -0.0111 0.3571 -0.0671 201 ILE G CB 672 C CG1 . ILE A 85 ? 0.9998 0.6199 1.2476 -0.0008 0.3448 -0.0266 201 ILE G CG1 673 C CG2 . ILE A 85 ? 1.0229 0.7007 1.2978 0.0115 0.3648 -0.0754 201 ILE G CG2 674 C CD1 . ILE A 85 ? 1.0148 0.6562 1.2790 0.0262 0.3183 0.0073 201 ILE G CD1 675 N N . LYS A 86 ? 1.1363 0.8058 1.3688 -0.0547 0.4198 -0.1698 202 LYS G N 676 C CA . LYS A 86 ? 1.0419 0.7514 1.2613 -0.0671 0.4304 -0.2079 202 LYS G CA 677 C C . LYS A 86 ? 1.0531 0.7744 1.2952 -0.0444 0.4348 -0.2088 202 LYS G C 678 O O . LYS A 86 ? 1.1304 0.8113 1.4077 -0.0308 0.4539 -0.2097 202 LYS G O 679 C CB . LYS A 86 ? 0.9964 0.6766 1.2106 -0.0949 0.4609 -0.2465 202 LYS G CB 680 C CG . LYS A 86 ? 1.0726 0.7438 1.2646 -0.1227 0.4607 -0.2511 202 LYS G CG 681 C CD . LYS A 86 ? 1.1403 0.7749 1.3306 -0.1513 0.4937 -0.2890 202 LYS G CD 682 C CE . LYS A 86 ? 1.1903 0.8167 1.3596 -0.1821 0.4957 -0.2946 202 LYS G CE 683 N NZ . LYS A 86 ? 1.2845 0.8699 1.4522 -0.2126 0.5298 -0.3319 202 LYS G NZ 684 N N . GLN A 87 ? 1.0532 0.8289 1.2760 -0.0404 0.4179 -0.2090 203 GLN G N 685 C CA . GLN A 87 ? 1.0952 0.8869 1.3331 -0.0232 0.4224 -0.2103 203 GLN G CA 686 C C . GLN A 87 ? 1.1127 0.9441 1.3162 -0.0405 0.4278 -0.2422 203 GLN G C 687 O O . GLN A 87 ? 1.1142 0.9660 1.2851 -0.0628 0.4232 -0.2609 203 GLN G O 688 C CB . GLN A 87 ? 1.1218 0.9362 1.3675 0.0004 0.3949 -0.1727 203 GLN G CB 689 C CG . GLN A 87 ? 1.1875 0.9709 1.4568 0.0154 0.3815 -0.1369 203 GLN G CG 690 C CD . GLN A 87 ? 1.2811 1.0935 1.5512 0.0333 0.3530 -0.1036 203 GLN G CD 691 O OE1 . GLN A 87 ? 1.3290 1.1784 1.5896 0.0378 0.3468 -0.1066 203 GLN G OE1 692 N NE2 . GLN A 87 ? 1.3294 1.1229 1.6069 0.0412 0.3362 -0.0719 203 GLN G NE2 693 N N . ALA A 88 ? 1.1595 1.0044 1.3674 -0.0324 0.4296 -0.2435 204 ALA G N 694 C CA . ALA A 88 ? 1.0971 0.9801 1.2631 -0.0477 0.4220 -0.2609 204 ALA G CA 695 C C . ALA A 88 ? 1.0239 0.9465 1.1638 -0.0387 0.3965 -0.2417 204 ALA G C 696 O O . ALA A 88 ? 0.9101 0.8334 1.0707 -0.0171 0.3873 -0.2138 204 ALA G O 697 C CB . ALA A 88 ? 1.0224 0.9019 1.1990 -0.0456 0.4343 -0.2685 204 ALA G CB 698 N N . CYS A 89 ? 1.0584 1.0142 1.1544 -0.0551 0.3840 -0.2561 205 CYS G N 699 C CA . CYS A 89 ? 1.0025 0.9944 1.0732 -0.0469 0.3564 -0.2377 205 CYS G CA 700 C C . CYS A 89 ? 1.0133 1.0364 1.0372 -0.0567 0.3492 -0.2508 205 CYS G C 701 O O . CYS A 89 ? 0.9847 1.0366 0.9773 -0.0683 0.3312 -0.2605 205 CYS G O 702 C CB . CYS A 89 ? 0.9344 0.9388 1.0007 -0.0536 0.3377 -0.2342 205 CYS G CB 703 S SG . CYS A 89 ? 1.3693 1.3772 1.4214 -0.0854 0.3528 -0.2762 205 CYS G SG 704 N N . PRO A 90 ? 0.9937 1.0113 1.0127 -0.0522 0.3571 -0.2472 206 PRO G N 705 C CA . PRO A 90 ? 0.9925 1.0330 0.9600 -0.0632 0.3499 -0.2558 206 PRO G CA 706 C C . PRO A 90 ? 0.9082 0.9743 0.8480 -0.0515 0.3208 -0.2321 206 PRO G C 707 O O . PRO A 90 ? 0.8115 0.8738 0.7773 -0.0324 0.3075 -0.2043 206 PRO G O 708 C CB . PRO A 90 ? 1.0289 1.0516 1.0072 -0.0612 0.3678 -0.2547 206 PRO G CB 709 C CG . PRO A 90 ? 0.9931 0.9977 1.0260 -0.0389 0.3722 -0.2328 206 PRO G CG 710 C CD . PRO A 90 ? 0.9370 0.9293 0.9972 -0.0368 0.3711 -0.2333 206 PRO G CD 711 N N . LYS A 91 ? 0.9567 1.0463 0.8445 -0.0623 0.3049 -0.2392 207 LYS G N 712 C CA . LYS A 91 ? 0.9682 1.0757 0.8281 -0.0493 0.2720 -0.2128 207 LYS G CA 713 C C . LYS A 91 ? 0.8637 0.9554 0.7208 -0.0385 0.2786 -0.1914 207 LYS G C 714 O O . LYS A 91 ? 0.8400 0.9179 0.6920 -0.0482 0.3057 -0.2038 207 LYS G O 715 C CB . LYS A 91 ? 0.9945 1.1279 0.7981 -0.0627 0.2522 -0.2246 207 LYS G CB 716 C CG . LYS A 91 ? 0.8915 1.0525 0.7014 -0.0696 0.2353 -0.2405 207 LYS G CG 717 C CD . LYS A 91 ? 0.7624 0.9337 0.6052 -0.0494 0.2125 -0.2184 207 LYS G CD 718 C CE . LYS A 91 ? 0.7339 0.9375 0.5864 -0.0580 0.1975 -0.2368 207 LYS G CE 719 N NZ . LYS A 91 ? 0.6659 0.8809 0.5503 -0.0409 0.1788 -0.2187 207 LYS G NZ 720 N N . ILE A 92 ? 0.7473 0.8419 0.6090 -0.0201 0.2557 -0.1617 208 ILE G N 721 C CA . ILE A 92 ? 0.7702 0.8506 0.6361 -0.0106 0.2619 -0.1411 208 ILE G CA 722 C C . ILE A 92 ? 0.7583 0.8431 0.5767 -0.0057 0.2375 -0.1205 208 ILE G C 723 O O . ILE A 92 ? 0.6984 0.7988 0.4891 -0.0035 0.2106 -0.1179 208 ILE G O 724 C CB . ILE A 92 ? 0.8013 0.8737 0.7227 0.0069 0.2612 -0.1220 208 ILE G CB 725 C CG1 . ILE A 92 ? 0.7957 0.8811 0.7184 0.0189 0.2302 -0.1049 208 ILE G CG1 726 C CG2 . ILE A 92 ? 0.8659 0.9264 0.8340 0.0046 0.2841 -0.1378 208 ILE G CG2 727 C CD1 . ILE A 92 ? 0.7986 0.8767 0.7656 0.0330 0.2270 -0.0851 208 ILE G CD1 728 N N . SER A 93 ? 0.7551 0.8255 0.5665 -0.0040 0.2474 -0.1065 209 SER G N 729 C CA . SER A 93 ? 0.7882 0.8532 0.5599 0.0022 0.2265 -0.0825 209 SER G CA 730 C C . SER A 93 ? 0.7044 0.7678 0.5143 0.0215 0.2129 -0.0591 209 SER G C 731 O O . SER A 93 ? 0.6891 0.7466 0.5405 0.0252 0.2291 -0.0546 209 SER G O 732 C CB . SER A 93 ? 0.7332 0.7816 0.4704 -0.0116 0.2473 -0.0819 209 SER G CB 733 O OG . SER A 93 ? 0.8280 0.8636 0.5296 -0.0057 0.2294 -0.0561 209 SER G OG 734 N N . PHE A 94 ? 0.6800 0.7506 0.4773 0.0334 0.1828 -0.0455 210 PHE G N 735 C CA . PHE A 94 ? 0.6433 0.7153 0.4762 0.0494 0.1697 -0.0282 210 PHE G CA 736 C C . PHE A 94 ? 0.6683 0.7321 0.4704 0.0601 0.1460 -0.0070 210 PHE G C 737 O O . PHE A 94 ? 0.7341 0.8062 0.5088 0.0653 0.1234 -0.0069 210 PHE G O 738 C CB . PHE A 94 ? 0.5563 0.6472 0.4211 0.0538 0.1606 -0.0387 210 PHE G CB 739 C CG . PHE A 94 ? 0.6596 0.7524 0.5591 0.0663 0.1503 -0.0240 210 PHE G CG 740 C CD1 . PHE A 94 ? 0.6445 0.7433 0.5332 0.0778 0.1262 -0.0124 210 PHE G CD1 741 C CD2 . PHE A 94 ? 0.6046 0.6930 0.5471 0.0662 0.1642 -0.0225 210 PHE G CD2 742 C CE1 . PHE A 94 ? 0.6971 0.7980 0.6148 0.0861 0.1192 -0.0021 210 PHE G CE1 743 C CE2 . PHE A 94 ? 0.6364 0.7265 0.6040 0.0745 0.1541 -0.0089 210 PHE G CE2 744 C CZ . PHE A 94 ? 0.5700 0.6669 0.5240 0.0829 0.1331 -0.0001 210 PHE G CZ 745 N N . ASP A 95 ? 0.6824 0.7302 0.4919 0.0635 0.1510 0.0101 211 ASP G N 746 C CA . ASP A 95 ? 0.7290 0.7621 0.5133 0.0732 0.1320 0.0303 211 ASP G CA 747 C C . ASP A 95 ? 0.6659 0.6881 0.4768 0.0746 0.1412 0.0439 211 ASP G C 748 O O . ASP A 95 ? 0.6141 0.6253 0.4214 0.0639 0.1609 0.0457 211 ASP G O 749 C CB . ASP A 95 ? 0.7357 0.7488 0.4569 0.0661 0.1284 0.0365 211 ASP G CB 750 C CG . ASP A 95 ? 0.8429 0.8357 0.5349 0.0787 0.1052 0.0577 211 ASP G CG 751 O OD1 . ASP A 95 ? 0.8644 0.8669 0.5827 0.0947 0.0872 0.0615 211 ASP G OD1 752 O OD2 . ASP A 95 ? 0.8728 0.8375 0.5146 0.0718 0.1062 0.0700 211 ASP G OD2 753 N N . PRO A 96 ? 0.5931 0.6212 0.4315 0.0860 0.1277 0.0514 212 PRO G N 754 C CA . PRO A 96 ? 0.5325 0.5557 0.3990 0.0860 0.1339 0.0626 212 PRO G CA 755 C C . PRO A 96 ? 0.6263 0.6247 0.4639 0.0799 0.1396 0.0758 212 PRO G C 756 O O . PRO A 96 ? 0.6639 0.6422 0.4586 0.0831 0.1279 0.0841 212 PRO G O 757 C CB . PRO A 96 ? 0.5511 0.5818 0.4336 0.0978 0.1148 0.0666 212 PRO G CB 758 C CG . PRO A 96 ? 0.5892 0.6387 0.4740 0.1022 0.1056 0.0525 212 PRO G CG 759 C CD . PRO A 96 ? 0.5423 0.5859 0.3877 0.0977 0.1066 0.0471 212 PRO G CD 760 N N . ILE A 97 ? 0.5817 0.5817 0.4440 0.0709 0.1573 0.0776 213 ILE G N 761 C CA . ILE A 97 ? 0.7017 0.6810 0.5433 0.0614 0.1659 0.0883 213 ILE G CA 762 C C . ILE A 97 ? 0.6097 0.5932 0.4829 0.0631 0.1613 0.0971 213 ILE G C 763 O O . ILE A 97 ? 0.5862 0.5915 0.5008 0.0687 0.1566 0.0944 213 ILE G O 764 C CB . ILE A 97 ? 0.7112 0.6929 0.5557 0.0454 0.1930 0.0800 213 ILE G CB 765 C CG1 . ILE A 97 ? 0.6986 0.7090 0.6071 0.0462 0.2048 0.0715 213 ILE G CG1 766 C CG2 . ILE A 97 ? 0.7017 0.6774 0.5073 0.0397 0.1993 0.0696 213 ILE G CG2 767 C CD1 . ILE A 97 ? 0.7560 0.7737 0.6803 0.0325 0.2329 0.0609 213 ILE G CD1 768 N N . PRO A 98 ? 0.6903 0.6508 0.5404 0.0563 0.1626 0.1077 214 PRO G N 769 C CA . PRO A 98 ? 0.6613 0.6260 0.5377 0.0546 0.1586 0.1140 214 PRO G CA 770 C C . PRO A 98 ? 0.6410 0.6346 0.5675 0.0461 0.1717 0.1097 214 PRO G C 771 O O . PRO A 98 ? 0.6873 0.6860 0.6197 0.0353 0.1908 0.1045 214 PRO G O 772 C CB . PRO A 98 ? 0.6987 0.6271 0.5337 0.0455 0.1620 0.1240 214 PRO G CB 773 C CG . PRO A 98 ? 0.6296 0.5314 0.4122 0.0501 0.1572 0.1272 214 PRO G CG 774 C CD . PRO A 98 ? 0.5930 0.5184 0.3860 0.0493 0.1657 0.1152 214 PRO G CD 775 N N . ILE A 99 ? 0.6545 0.6680 0.6171 0.0509 0.1609 0.1117 215 ILE G N 776 C CA . ILE A 99 ? 0.5963 0.6387 0.6086 0.0456 0.1670 0.1108 215 ILE G CA 777 C C . ILE A 99 ? 0.5919 0.6380 0.6135 0.0371 0.1600 0.1179 215 ILE G C 778 O O . ILE A 99 ? 0.6535 0.6944 0.6668 0.0411 0.1450 0.1218 215 ILE G O 779 C CB . ILE A 99 ? 0.6562 0.7202 0.7038 0.0567 0.1592 0.1084 215 ILE G CB 780 C CG1 . ILE A 99 ? 0.5712 0.6307 0.6086 0.0630 0.1668 0.0985 215 ILE G CG1 781 C CG2 . ILE A 99 ? 0.6448 0.7370 0.7452 0.0544 0.1625 0.1102 215 ILE G CG2 782 C CD1 . ILE A 99 ? 0.5834 0.6454 0.6265 0.0555 0.1892 0.0896 215 ILE G CD1 783 N N . HIS A 100 ? 0.5748 0.6319 0.6145 0.0235 0.1723 0.1172 216 HIS G N 784 C CA . HIS A 100 ? 0.5363 0.6018 0.5878 0.0119 0.1666 0.1215 216 HIS G CA 785 C C . HIS A 100 ? 0.5684 0.6741 0.6737 0.0143 0.1566 0.1235 216 HIS G C 786 O O . HIS A 100 ? 0.5634 0.6921 0.7063 0.0196 0.1633 0.1201 216 HIS G O 787 C CB . HIS A 100 ? 0.5261 0.5844 0.5692 -0.0074 0.1848 0.1186 216 HIS G CB 788 C CG . HIS A 100 ? 0.6970 0.7103 0.6821 -0.0115 0.1947 0.1200 216 HIS G CG 789 N ND1 . HIS A 100 ? 0.6935 0.6713 0.6400 -0.0194 0.1923 0.1254 216 HIS G ND1 790 C CD2 . HIS A 100 ? 0.7294 0.7252 0.6864 -0.0095 0.2064 0.1174 216 HIS G CD2 791 C CE1 . HIS A 100 ? 0.7307 0.6691 0.6276 -0.0201 0.2001 0.1288 216 HIS G CE1 792 N NE2 . HIS A 100 ? 0.7549 0.7049 0.6550 -0.0153 0.2082 0.1241 216 HIS G NE2 793 N N . TYR A 101 ? 0.4983 0.6113 0.6066 0.0104 0.1406 0.1290 217 TYR G N 794 C CA . TYR A 101 ? 0.5044 0.6548 0.6586 0.0102 0.1280 0.1341 217 TYR G CA 795 C C . TYR A 101 ? 0.5393 0.7093 0.7085 -0.0087 0.1271 0.1336 217 TYR G C 796 O O . TYR A 101 ? 0.5938 0.7441 0.7309 -0.0217 0.1277 0.1319 217 TYR G O 797 C CB . TYR A 101 ? 0.5560 0.7050 0.7026 0.0179 0.1088 0.1409 217 TYR G CB 798 C CG . TYR A 101 ? 0.5277 0.6735 0.6824 0.0349 0.1088 0.1412 217 TYR G CG 799 C CD1 . TYR A 101 ? 0.4762 0.6450 0.6749 0.0432 0.1050 0.1460 217 TYR G CD1 800 C CD2 . TYR A 101 ? 0.5361 0.6556 0.6567 0.0427 0.1127 0.1359 217 TYR G CD2 801 C CE1 . TYR A 101 ? 0.4822 0.6430 0.6874 0.0568 0.1075 0.1449 217 TYR G CE1 802 C CE2 . TYR A 101 ? 0.5663 0.6838 0.6940 0.0549 0.1141 0.1337 217 TYR G CE2 803 C CZ . TYR A 101 ? 0.5527 0.6885 0.7213 0.0609 0.1128 0.1378 217 TYR G CZ 804 O OH . TYR A 101 ? 0.6811 0.8101 0.8558 0.0714 0.1164 0.1342 217 TYR G OH 805 N N . CYS A 102 ? 0.4982 0.7079 0.7195 -0.0099 0.1262 0.1338 218 CYS G N 806 C CA . CYS A 102 ? 0.4703 0.7070 0.7144 -0.0293 0.1280 0.1300 218 CYS G CA 807 C C . CYS A 102 ? 0.5451 0.8290 0.8394 -0.0278 0.1061 0.1375 218 CYS G C 808 O O . CYS A 102 ? 0.5815 0.8775 0.9022 -0.0094 0.0941 0.1458 218 CYS G O 809 C CB . CYS A 102 ? 0.4451 0.6894 0.7079 -0.0366 0.1537 0.1186 218 CYS G CB 810 S SG . CYS A 102 ? 0.6337 0.8250 0.8401 -0.0339 0.1777 0.1130 218 CYS G SG 811 N N . THR A 103 ? 0.5428 0.8521 0.8490 -0.0479 0.1003 0.1349 219 THR G N 812 C CA . THR A 103 ? 0.5074 0.8657 0.8594 -0.0489 0.0759 0.1427 219 THR G CA 813 C C . THR A 103 ? 0.4733 0.8807 0.8919 -0.0509 0.0830 0.1348 219 THR G C 814 O O . THR A 103 ? 0.5493 0.9559 0.9689 -0.0657 0.1076 0.1203 219 THR G O 815 C CB . THR A 103 ? 0.5181 0.8811 0.8432 -0.0722 0.0612 0.1433 219 THR G CB 816 O OG1 . THR A 103 ? 0.6183 0.9597 0.9146 -0.0942 0.0828 0.1293 219 THR G OG1 817 C CG2 . THR A 103 ? 0.4752 0.8062 0.7522 -0.0675 0.0473 0.1523 219 THR G CG2 818 N N . PRO A 104 ? 0.3949 0.8449 0.8704 -0.0357 0.0618 0.1443 220 PRO G N 819 C CA . PRO A 104 ? 0.3769 0.8835 0.9279 -0.0352 0.0644 0.1360 220 PRO G CA 820 C C . PRO A 104 ? 0.3765 0.9256 0.9435 -0.0615 0.0525 0.1310 220 PRO G C 821 O O . PRO A 104 ? 0.4239 0.9520 0.9380 -0.0814 0.0460 0.1325 220 PRO G O 822 C CB . PRO A 104 ? 0.3847 0.9135 0.9849 -0.0061 0.0405 0.1518 220 PRO G CB 823 C CG . PRO A 104 ? 0.4192 0.9187 0.9676 -0.0041 0.0153 0.1710 220 PRO G CG 824 C CD . PRO A 104 ? 0.4224 0.8665 0.8953 -0.0165 0.0352 0.1637 220 PRO G CD 825 N N . ALA A 105 ? 0.3850 0.9951 1.0268 -0.0619 0.0502 0.1230 221 ALA G N 826 C CA . ALA A 105 ? 0.3618 1.0213 1.0272 -0.0885 0.0389 0.1154 221 ALA G CA 827 C C . ALA A 105 ? 0.4704 1.1435 1.1183 -0.0917 -0.0019 0.1339 221 ALA G C 828 O O . ALA A 105 ? 0.3981 1.0715 1.0556 -0.0672 -0.0279 0.1543 221 ALA G O 829 C CB . ALA A 105 ? 0.3564 1.0865 1.1163 -0.0839 0.0416 0.1030 221 ALA G CB 830 N N . GLY A 106 ? 0.5320 1.2132 1.1503 -0.1242 -0.0061 0.1264 222 GLY G N 831 C CA . GLY A 106 ? 0.5606 1.2549 1.1542 -0.1342 -0.0420 0.1403 222 GLY G CA 832 C C . GLY A 106 ? 0.6253 1.2522 1.1316 -0.1399 -0.0387 0.1466 222 GLY G C 833 O O . GLY A 106 ? 0.7308 1.3590 1.2002 -0.1585 -0.0586 0.1510 222 GLY G O 834 N N . TYR A 107 ? 0.5842 1.1551 1.0589 -0.1245 -0.0134 0.1454 223 TYR G N 835 C CA . TYR A 107 ? 0.5451 1.0544 0.9451 -0.1256 -0.0087 0.1494 223 TYR G CA 836 C C . TYR A 107 ? 0.6301 1.0901 0.9882 -0.1376 0.0263 0.1328 223 TYR G C 837 O O . TYR A 107 ? 0.6315 1.0918 1.0125 -0.1360 0.0502 0.1227 223 TYR G O 838 C CB . TYR A 107 ? 0.5905 1.0741 0.9850 -0.0941 -0.0159 0.1661 223 TYR G CB 839 C CG . TYR A 107 ? 0.6599 1.1776 1.0843 -0.0808 -0.0516 0.1870 223 TYR G CG 840 C CD1 . TYR A 107 ? 0.6926 1.2560 1.1903 -0.0623 -0.0626 0.1932 223 TYR G CD1 841 C CD2 . TYR A 107 ? 0.6767 1.1791 1.0556 -0.0865 -0.0737 0.2009 223 TYR G CD2 842 C CE1 . TYR A 107 ? 0.7107 1.3002 1.2349 -0.0476 -0.0978 0.2155 223 TYR G CE1 843 C CE2 . TYR A 107 ? 0.7455 1.2730 1.1440 -0.0756 -0.1076 0.2234 223 TYR G CE2 844 C CZ . TYR A 107 ? 0.7356 1.3050 1.2066 -0.0549 -0.1210 0.2322 223 TYR G CZ 845 O OH . TYR A 107 ? 0.7736 1.3636 1.2637 -0.0417 -0.1572 0.2576 223 TYR G OH 846 N N . VAL A 108 ? 0.6209 1.0377 0.9172 -0.1501 0.0294 0.1300 224 VAL G N 847 C CA . VAL A 108 ? 0.6122 0.9739 0.8634 -0.1579 0.0586 0.1177 224 VAL G CA 848 C C . VAL A 108 ? 0.6022 0.9131 0.7985 -0.1474 0.0572 0.1223 224 VAL G C 849 O O . VAL A 108 ? 0.5751 0.8942 0.7579 -0.1490 0.0368 0.1290 224 VAL G O 850 C CB . VAL A 108 ? 0.7140 1.0769 0.9523 -0.1932 0.0698 0.1014 224 VAL G CB 851 C CG1 . VAL A 108 ? 0.8426 1.1397 1.0307 -0.1991 0.0983 0.0921 224 VAL G CG1 852 C CG2 . VAL A 108 ? 0.7598 1.1775 1.0561 -0.2062 0.0735 0.0936 224 VAL G CG2 853 N N . ILE A 109 ? 0.6001 0.8610 0.7655 -0.1370 0.0784 0.1185 225 ILE G N 854 C CA . ILE A 109 ? 0.6017 0.8168 0.7200 -0.1272 0.0792 0.1191 225 ILE G CA 855 C C . ILE A 109 ? 0.7276 0.9077 0.8054 -0.1485 0.0899 0.1062 225 ILE G C 856 O O . ILE A 109 ? 0.7700 0.9276 0.8385 -0.1603 0.1089 0.0982 225 ILE G O 857 C CB . ILE A 109 ? 0.5706 0.7506 0.6764 -0.1029 0.0931 0.1219 225 ILE G CB 858 C CG1 . ILE A 109 ? 0.6676 0.8764 0.8119 -0.0819 0.0853 0.1320 225 ILE G CG1 859 C CG2 . ILE A 109 ? 0.5815 0.7199 0.6448 -0.0928 0.0929 0.1203 225 ILE G CG2 860 C CD1 . ILE A 109 ? 0.6339 0.8136 0.7677 -0.0618 0.1001 0.1323 225 ILE G CD1 861 N N . LEU A 110 ? 0.7154 0.8883 0.7681 -0.1548 0.0797 0.1032 226 LEU G N 862 C CA . LEU A 110 ? 0.7778 0.9110 0.7922 -0.1715 0.0919 0.0886 226 LEU G CA 863 C C . LEU A 110 ? 0.7760 0.8582 0.7604 -0.1491 0.1018 0.0873 226 LEU G C 864 O O . LEU A 110 ? 0.7984 0.8846 0.7847 -0.1282 0.0931 0.0945 226 LEU G O 865 C CB . LEU A 110 ? 0.8341 0.9876 0.8366 -0.1939 0.0785 0.0815 226 LEU G CB 866 C CG . LEU A 110 ? 0.7988 1.0056 0.8278 -0.2193 0.0649 0.0814 226 LEU G CG 867 C CD1 . LEU A 110 ? 0.7977 1.0131 0.8007 -0.2471 0.0560 0.0702 226 LEU G CD1 868 C CD2 . LEU A 110 ? 0.7744 0.9812 0.8197 -0.2341 0.0815 0.0736 226 LEU G CD2 869 N N . LYS A 111 ? 0.7837 0.8179 0.7418 -0.1537 0.1195 0.0782 227 LYS G N 870 C CA . LYS A 111 ? 0.6779 0.6638 0.6112 -0.1301 0.1270 0.0779 227 LYS G CA 871 C C . LYS A 111 ? 0.7920 0.7367 0.6963 -0.1386 0.1357 0.0625 227 LYS G C 872 O O . LYS A 111 ? 0.8210 0.7390 0.7116 -0.1583 0.1487 0.0542 227 LYS G O 873 C CB . LYS A 111 ? 0.6742 0.6313 0.6016 -0.1196 0.1398 0.0857 227 LYS G CB 874 C CG . LYS A 111 ? 0.7831 0.6904 0.6834 -0.0946 0.1441 0.0878 227 LYS G CG 875 C CD . LYS A 111 ? 0.8646 0.7420 0.7507 -0.0893 0.1559 0.0971 227 LYS G CD 876 C CE . LYS A 111 ? 0.9108 0.7410 0.7687 -0.0630 0.1552 0.1018 227 LYS G CE 877 N NZ . LYS A 111 ? 0.9253 0.7231 0.7601 -0.0603 0.1655 0.1128 227 LYS G NZ 878 N N . CYS A 112 ? 0.7454 0.6846 0.6423 -0.1246 0.1304 0.0569 228 CYS G N 879 C CA . CYS A 112 ? 0.8016 0.7015 0.6765 -0.1281 0.1404 0.0396 228 CYS G CA 880 C C . CYS A 112 ? 0.8359 0.6784 0.6948 -0.1059 0.1506 0.0416 228 CYS G C 881 O O . CYS A 112 ? 0.8440 0.6829 0.7065 -0.0786 0.1449 0.0525 228 CYS G O 882 C CB . CYS A 112 ? 0.8010 0.7189 0.6768 -0.1221 0.1333 0.0303 228 CYS G CB 883 S SG . CYS A 112 ? 0.9560 0.8261 0.8136 -0.1189 0.1482 0.0056 228 CYS G SG 884 N N . ASN A 113 ? 0.8410 0.6369 0.6807 -0.1182 0.1650 0.0315 229 ASN G N 885 C CA . ASN A 113 ? 0.9159 0.6500 0.7363 -0.0979 0.1731 0.0367 229 ASN G CA 886 C C . ASN A 113 ? 0.9463 0.6373 0.7574 -0.0865 0.1798 0.0201 229 ASN G C 887 O O . ASN A 113 ? 0.8948 0.5279 0.6892 -0.0698 0.1856 0.0242 229 ASN G O 888 C CB . ASN A 113 ? 0.9826 0.6843 0.7859 -0.1183 0.1867 0.0428 229 ASN G CB 889 C CG . ASN A 113 ? 0.9552 0.6992 0.7728 -0.1277 0.1831 0.0567 229 ASN G CG 890 O OD1 . ASN A 113 ? 0.8337 0.5841 0.6541 -0.1065 0.1769 0.0715 229 ASN G OD1 891 N ND2 . ASN A 113 ? 0.9826 0.7580 0.8118 -0.1601 0.1873 0.0501 229 ASN G ND2 892 N N . ASP A 114 ? 0.8564 0.5741 0.6777 -0.0957 0.1793 0.0012 230 ASP G N 893 C CA . ASP A 114 ? 0.8594 0.5435 0.6792 -0.0837 0.1874 -0.0189 230 ASP G CA 894 C C . ASP A 114 ? 0.8665 0.5381 0.6961 -0.0419 0.1780 -0.0112 230 ASP G C 895 O O . ASP A 114 ? 0.7590 0.4737 0.6037 -0.0283 0.1649 -0.0031 230 ASP G O 896 C CB . ASP A 114 ? 0.8195 0.5428 0.6472 -0.1035 0.1892 -0.0412 230 ASP G CB 897 C CG . ASP A 114 ? 0.9253 0.6499 0.7392 -0.1451 0.2000 -0.0552 230 ASP G CG 898 O OD1 . ASP A 114 ? 0.9216 0.6286 0.7255 -0.1603 0.2043 -0.0458 230 ASP G OD1 899 O OD2 . ASP A 114 ? 1.0195 0.7642 0.8313 -0.1651 0.2047 -0.0768 230 ASP G OD2 900 N N . LYS A 115 ? 0.9263 0.5381 0.7478 -0.0217 0.1841 -0.0136 231 LYS G N 901 C CA . LYS A 115 ? 1.0503 0.6465 0.8793 0.0192 0.1719 -0.0029 231 LYS G CA 902 C C . LYS A 115 ? 0.9787 0.6150 0.8378 0.0383 0.1652 -0.0193 231 LYS G C 903 O O . LYS A 115 ? 0.9909 0.6429 0.8620 0.0666 0.1507 -0.0095 231 LYS G O 904 C CB . LYS A 115 ? 1.2347 0.7533 1.0481 0.0366 0.1782 -0.0010 231 LYS G CB 905 C CG . LYS A 115 ? 1.4010 0.8729 1.1796 0.0206 0.1849 0.0189 231 LYS G CG 906 C CD . LYS A 115 ? 1.3923 0.8932 1.1623 0.0231 0.1726 0.0444 231 LYS G CD 907 C CE . LYS A 115 ? 1.4520 0.9073 1.1866 0.0051 0.1822 0.0624 231 LYS G CE 908 N NZ . LYS A 115 ? 1.5069 0.8810 1.2133 0.0265 0.1826 0.0745 231 LYS G NZ 909 N N . ASN A 116 ? 0.9269 0.5807 0.7965 0.0203 0.1767 -0.0457 232 ASN G N 910 C CA . ASN A 116 ? 0.9717 0.6628 0.8689 0.0332 0.1752 -0.0654 232 ASN G CA 911 C C . ASN A 116 ? 0.9224 0.6756 0.8218 0.0066 0.1734 -0.0695 232 ASN G C 912 O O . ASN A 116 ? 0.8139 0.5967 0.7286 0.0037 0.1784 -0.0908 232 ASN G O 913 C CB . ASN A 116 ? 1.0962 0.7570 1.0048 0.0357 0.1922 -0.0962 232 ASN G CB 914 C CG . ASN A 116 ? 1.2947 0.9429 1.1834 -0.0047 0.2105 -0.1126 232 ASN G CG 915 O OD1 . ASN A 116 ? 1.3238 0.9631 1.1885 -0.0281 0.2103 -0.0974 232 ASN G OD1 916 N ND2 . ASN A 116 ? 1.3605 1.0108 1.2601 -0.0148 0.2272 -0.1461 232 ASN G ND2 917 N N . PHE A 117 ? 0.8770 0.6487 0.7615 -0.0129 0.1665 -0.0492 233 PHE G N 918 C CA . PHE A 117 ? 0.8300 0.6553 0.7141 -0.0376 0.1616 -0.0480 233 PHE G CA 919 C C . PHE A 117 ? 0.7093 0.5728 0.6118 -0.0201 0.1523 -0.0471 233 PHE G C 920 O O . PHE A 117 ? 0.7171 0.5812 0.6291 0.0058 0.1418 -0.0321 233 PHE G O 921 C CB . PHE A 117 ? 0.8164 0.6541 0.6900 -0.0537 0.1535 -0.0244 233 PHE G CB 922 C CG . PHE A 117 ? 0.7350 0.6238 0.6090 -0.0772 0.1454 -0.0199 233 PHE G CG 923 C CD1 . PHE A 117 ? 0.8416 0.7455 0.7047 -0.1070 0.1513 -0.0373 233 PHE G CD1 924 C CD2 . PHE A 117 ? 0.7630 0.6824 0.6466 -0.0700 0.1315 0.0019 233 PHE G CD2 925 C CE1 . PHE A 117 ? 0.8016 0.7495 0.6604 -0.1283 0.1406 -0.0297 233 PHE G CE1 926 C CE2 . PHE A 117 ? 0.7922 0.7537 0.6767 -0.0890 0.1221 0.0087 233 PHE G CE2 927 C CZ . PHE A 117 ? 0.6346 0.6099 0.5053 -0.1179 0.1251 -0.0055 233 PHE G CZ 928 N N . ASN A 118 ? 0.7688 0.6639 0.6735 -0.0372 0.1572 -0.0641 234 ASN G N 929 C CA . ASN A 118 ? 0.6007 0.5282 0.5229 -0.0235 0.1526 -0.0682 234 ASN G CA 930 C C . ASN A 118 ? 0.6080 0.5736 0.5254 -0.0353 0.1404 -0.0485 234 ASN G C 931 O O . ASN A 118 ? 0.6064 0.5975 0.5357 -0.0269 0.1370 -0.0498 234 ASN G O 932 C CB . ASN A 118 ? 0.7483 0.6854 0.6771 -0.0334 0.1684 -0.1010 234 ASN G CB 933 C CG . ASN A 118 ? 0.7283 0.6869 0.6326 -0.0746 0.1748 -0.1090 234 ASN G CG 934 O OD1 . ASN A 118 ? 0.6532 0.6296 0.5405 -0.0930 0.1632 -0.0880 234 ASN G OD1 935 N ND2 . ASN A 118 ? 0.8874 0.8450 0.7903 -0.0891 0.1929 -0.1405 234 ASN G ND2 936 N N . GLY A 119 ? 0.5605 0.5298 0.4630 -0.0546 0.1340 -0.0311 235 GLY G N 937 C CA . GLY A 119 ? 0.6739 0.6753 0.5757 -0.0628 0.1211 -0.0106 235 GLY G CA 938 C C . GLY A 119 ? 0.6631 0.6867 0.5464 -0.0970 0.1179 -0.0091 235 GLY G C 939 O O . GLY A 119 ? 0.6511 0.6941 0.5343 -0.1045 0.1046 0.0122 235 GLY G O 940 N N . THR A 120 ? 0.5674 0.5893 0.4356 -0.1178 0.1294 -0.0321 236 THR G N 941 C CA . THR A 120 ? 0.6506 0.6929 0.4939 -0.1538 0.1253 -0.0316 236 THR G CA 942 C C . THR A 120 ? 0.7514 0.7763 0.5781 -0.1769 0.1378 -0.0530 236 THR G C 943 O O . THR A 120 ? 0.8291 0.8248 0.6631 -0.1657 0.1540 -0.0740 236 THR G O 944 C CB . THR A 120 ? 0.6782 0.7419 0.5078 -0.1678 0.1278 -0.0395 236 THR G CB 945 O OG1 . THR A 120 ? 0.7401 0.7927 0.5661 -0.1736 0.1490 -0.0729 236 THR G OG1 946 C CG2 . THR A 120 ? 0.6350 0.7097 0.4827 -0.1443 0.1207 -0.0250 236 THR G CG2 947 N N . GLY A 121 ? 0.7850 0.8275 0.5900 -0.2091 0.1296 -0.0479 237 GLY G N 948 C CA . GLY A 121 ? 0.7978 0.8275 0.5834 -0.2373 0.1415 -0.0699 237 GLY G CA 949 C C . GLY A 121 ? 0.7509 0.7690 0.5431 -0.2406 0.1376 -0.0610 237 GLY G C 950 O O . GLY A 121 ? 0.7324 0.7612 0.5424 -0.2258 0.1231 -0.0357 237 GLY G O 951 N N . PRO A 122 ? 0.7316 0.7274 0.5100 -0.2621 0.1527 -0.0841 238 PRO G N 952 C CA . PRO A 122 ? 0.7407 0.7237 0.5218 -0.2726 0.1528 -0.0803 238 PRO G CA 953 C C . PRO A 122 ? 0.9038 0.8436 0.7040 -0.2410 0.1624 -0.0754 238 PRO G C 954 O O . PRO A 122 ? 0.8372 0.7457 0.6442 -0.2160 0.1744 -0.0862 238 PRO G O 955 C CB . PRO A 122 ? 0.8084 0.7784 0.5639 -0.3091 0.1692 -0.1114 238 PRO G CB 956 C CG . PRO A 122 ? 0.8643 0.8169 0.6145 -0.3010 0.1868 -0.1360 238 PRO G CG 957 C CD . PRO A 122 ? 0.7667 0.7498 0.5249 -0.2823 0.1727 -0.1181 238 PRO G CD 958 N N . CYS A 123 ? 0.9247 0.8644 0.7333 -0.2432 0.1564 -0.0592 239 CYS G N 959 C CA . CYS A 123 ? 0.8777 0.7732 0.6953 -0.2202 0.1658 -0.0527 239 CYS G CA 960 C C . CYS A 123 ? 0.8806 0.7560 0.6884 -0.2481 0.1764 -0.0606 239 CYS G C 961 O O . CYS A 123 ? 0.8787 0.7920 0.6897 -0.2735 0.1665 -0.0543 239 CYS G O 962 C CB . CYS A 123 ? 0.8295 0.7429 0.6670 -0.1940 0.1515 -0.0241 239 CYS G CB 963 S SG . CYS A 123 ? 1.1110 0.9696 0.9508 -0.1661 0.1616 -0.0132 239 CYS G SG 964 N N . LYS A 124 ? 0.9132 0.7288 0.7110 -0.2434 0.1962 -0.0747 240 LYS G N 965 C CA . LYS A 124 ? 0.9416 0.7290 0.7260 -0.2735 0.2109 -0.0869 240 LYS G CA 966 C C . LYS A 124 ? 1.0314 0.8095 0.8220 -0.2715 0.2102 -0.0663 240 LYS G C 967 O O . LYS A 124 ? 1.0604 0.8561 0.8505 -0.3036 0.2121 -0.0690 240 LYS G O 968 C CB . LYS A 124 ? 0.9762 0.6953 0.7465 -0.2690 0.2341 -0.1104 240 LYS G CB 969 C CG . LYS A 124 ? 1.1134 0.7920 0.8669 -0.3008 0.2530 -0.1248 240 LYS G CG 970 C CD . LYS A 124 ? 1.2401 0.9655 0.9854 -0.3485 0.2511 -0.1420 240 LYS G CD 971 C CE . LYS A 124 ? 1.3570 1.0435 1.0864 -0.3837 0.2715 -0.1594 240 LYS G CE 972 N NZ . LYS A 124 ? 1.3771 1.1122 1.0974 -0.4324 0.2684 -0.1790 240 LYS G NZ 973 N N . ASN A 125 ? 0.9899 0.7432 0.7863 -0.2358 0.2079 -0.0473 241 ASN G N 974 C CA . ASN A 125 ? 1.0065 0.7421 0.8028 -0.2335 0.2114 -0.0292 241 ASN G CA 975 C C . ASN A 125 ? 0.9511 0.7415 0.7704 -0.2205 0.1935 -0.0066 241 ASN G C 976 O O . ASN A 125 ? 0.7884 0.5750 0.6130 -0.1875 0.1859 0.0077 241 ASN G O 977 C CB . ASN A 125 ? 1.1746 0.8358 0.9539 -0.2053 0.2225 -0.0233 241 ASN G CB 978 C CG . ASN A 125 ? 1.4719 1.1033 1.2400 -0.2084 0.2303 -0.0061 241 ASN G CG 979 O OD1 . ASN A 125 ? 1.4326 1.0886 1.2050 -0.2386 0.2349 -0.0060 241 ASN G OD1 980 N ND2 . ASN A 125 ? 1.8649 1.4440 1.6179 -0.1779 0.2316 0.0082 241 ASN G ND2 981 N N . VAL A 126 ? 0.9088 0.7514 0.7440 -0.2468 0.1865 -0.0050 242 VAL G N 982 C CA . VAL A 126 ? 0.8195 0.7182 0.6829 -0.2359 0.1694 0.0138 242 VAL G CA 983 C C . VAL A 126 ? 0.8855 0.7873 0.7602 -0.2447 0.1774 0.0231 242 VAL G C 984 O O . VAL A 126 ? 0.9714 0.8647 0.8410 -0.2751 0.1900 0.0125 242 VAL G O 985 C CB . VAL A 126 ? 0.8860 0.8511 0.7664 -0.2547 0.1507 0.0110 242 VAL G CB 986 C CG1 . VAL A 126 ? 0.8634 0.8797 0.7751 -0.2371 0.1321 0.0316 242 VAL G CG1 987 C CG2 . VAL A 126 ? 0.9248 0.8847 0.7873 -0.2545 0.1474 -0.0019 242 VAL G CG2 988 N N . SER A 127 ? 0.8647 0.7786 0.7542 -0.2204 0.1722 0.0407 243 SER G N 989 C CA . SER A 127 ? 0.8902 0.8152 0.7941 -0.2290 0.1811 0.0480 243 SER G CA 990 C C . SER A 127 ? 0.8849 0.8802 0.8319 -0.2224 0.1645 0.0579 243 SER G C 991 O O . SER A 127 ? 0.8824 0.9067 0.8416 -0.2059 0.1461 0.0636 243 SER G O 992 C CB . SER A 127 ? 0.8961 0.7641 0.7748 -0.2088 0.1945 0.0586 243 SER G CB 993 O OG . SER A 127 ? 0.9120 0.7845 0.7941 -0.1741 0.1822 0.0705 243 SER G OG 994 N N . SER A 128 ? 0.8937 0.9147 0.8649 -0.2357 0.1725 0.0592 244 SER G N 995 C CA . SER A 128 ? 0.8458 0.9337 0.8656 -0.2292 0.1585 0.0667 244 SER G CA 996 C C . SER A 128 ? 0.8049 0.8865 0.8347 -0.2118 0.1704 0.0756 244 SER G C 997 O O . SER A 128 ? 0.8299 0.8904 0.8510 -0.2270 0.1919 0.0714 244 SER G O 998 C CB . SER A 128 ? 0.9201 1.0613 0.9732 -0.2614 0.1556 0.0564 244 SER G CB 999 O OG . SER A 128 ? 0.9762 1.1792 1.0827 -0.2532 0.1452 0.0631 244 SER G OG 1000 N N . VAL A 129 ? 0.6504 0.7484 0.6955 -0.1827 0.1581 0.0868 245 VAL G N 1001 C CA . VAL A 129 ? 0.7256 0.8195 0.7792 -0.1663 0.1692 0.0933 245 VAL G CA 1002 C C . VAL A 129 ? 0.6490 0.8031 0.7570 -0.1526 0.1563 0.0985 245 VAL G C 1003 O O . VAL A 129 ? 0.6668 0.8571 0.7980 -0.1485 0.1343 0.1023 245 VAL G O 1004 C CB . VAL A 129 ? 0.7084 0.7501 0.7214 -0.1405 0.1708 0.1009 245 VAL G CB 1005 C CG1 . VAL A 129 ? 0.7107 0.6865 0.6724 -0.1498 0.1856 0.0982 245 VAL G CG1 1006 C CG2 . VAL A 129 ? 0.6900 0.7418 0.7045 -0.1213 0.1494 0.1052 245 VAL G CG2 1007 N N . GLN A 130 ? 0.5918 0.7534 0.7181 -0.1460 0.1708 0.0986 246 GLN G N 1008 C CA . GLN A 130 ? 0.6566 0.8681 0.8367 -0.1293 0.1619 0.1022 246 GLN G CA 1009 C C . GLN A 130 ? 0.6452 0.8353 0.8104 -0.0997 0.1555 0.1114 246 GLN G C 1010 O O . GLN A 130 ? 0.6549 0.8745 0.8517 -0.0829 0.1386 0.1180 246 GLN G O 1011 C CB . GLN A 130 ? 0.7726 1.0083 0.9867 -0.1391 0.1840 0.0931 246 GLN G CB 1012 C CG . GLN A 130 ? 0.8581 1.1465 1.1365 -0.1207 0.1767 0.0942 246 GLN G CG 1013 C CD . GLN A 130 ? 0.9150 1.2181 1.2210 -0.1263 0.2043 0.0823 246 GLN G CD 1014 O OE1 . GLN A 130 ? 0.9806 1.2465 1.2466 -0.1425 0.2295 0.0760 246 GLN G OE1 1015 N NE2 . GLN A 130 ? 0.8807 1.2362 1.2546 -0.1133 0.2005 0.0791 246 GLN G NE2 1016 N N . CYS A 131 ? 0.5940 0.7316 0.7102 -0.0940 0.1682 0.1121 247 CYS G N 1017 C CA . CYS A 131 ? 0.5956 0.7139 0.6960 -0.0684 0.1635 0.1182 247 CYS G CA 1018 C C . CYS A 131 ? 0.5547 0.6258 0.6037 -0.0613 0.1574 0.1212 247 CYS G C 1019 O O . CYS A 131 ? 0.6261 0.6635 0.6421 -0.0746 0.1645 0.1188 247 CYS G O 1020 C CB . CYS A 131 ? 0.5490 0.6564 0.6449 -0.0642 0.1839 0.1151 247 CYS G CB 1021 S SG . CYS A 131 ? 0.7076 0.8721 0.8725 -0.0669 0.1947 0.1073 247 CYS G SG 1022 N N . THR A 132 ? 0.5321 0.6008 0.5773 -0.0404 0.1451 0.1254 248 THR G N 1023 C CA . THR A 132 ? 0.6227 0.6517 0.6264 -0.0296 0.1403 0.1261 248 THR G CA 1024 C C . THR A 132 ? 0.7070 0.6976 0.6757 -0.0233 0.1530 0.1274 248 THR G C 1025 O O . THR A 132 ? 0.6196 0.6154 0.5942 -0.0289 0.1670 0.1269 248 THR G O 1026 C CB . THR A 132 ? 0.5987 0.6408 0.6112 -0.0113 0.1250 0.1281 248 THR G CB 1027 O OG1 . THR A 132 ? 0.5746 0.6253 0.5992 0.0025 0.1288 0.1295 248 THR G OG1 1028 C CG2 . THR A 132 ? 0.4414 0.5202 0.4838 -0.0184 0.1112 0.1301 248 THR G CG2 1029 N N . HIS A 133 ? 0.6450 0.5980 0.5773 -0.0120 0.1479 0.1288 249 HIS G N 1030 C CA . HIS A 133 ? 0.6418 0.5598 0.5378 -0.0024 0.1538 0.1329 249 HIS G CA 1031 C C . HIS A 133 ? 0.7506 0.6910 0.6599 0.0131 0.1501 0.1322 249 HIS G C 1032 O O . HIS A 133 ? 0.6203 0.5964 0.5650 0.0182 0.1427 0.1294 249 HIS G O 1033 C CB . HIS A 133 ? 0.6367 0.5118 0.4969 0.0092 0.1454 0.1350 249 HIS G CB 1034 C CG . HIS A 133 ? 0.7134 0.6042 0.5871 0.0272 0.1292 0.1303 249 HIS G CG 1035 N ND1 . HIS A 133 ? 0.7157 0.6284 0.6125 0.0218 0.1230 0.1240 249 HIS G ND1 1036 C CD2 . HIS A 133 ? 0.6870 0.5764 0.5535 0.0479 0.1189 0.1297 249 HIS G CD2 1037 C CE1 . HIS A 133 ? 0.6479 0.5703 0.5506 0.0377 0.1118 0.1193 249 HIS G CE1 1038 N NE2 . HIS A 133 ? 0.6704 0.5808 0.5579 0.0542 0.1089 0.1220 249 HIS G NE2 1039 N N . GLY A 134 ? 0.7319 0.6485 0.6094 0.0190 0.1553 0.1350 250 GLY G N 1040 C CA . GLY A 134 ? 0.5713 0.5058 0.4561 0.0308 0.1540 0.1317 250 GLY G CA 1041 C C . GLY A 134 ? 0.5910 0.5313 0.4780 0.0500 0.1361 0.1294 250 GLY G C 1042 O O . GLY A 134 ? 0.7164 0.6304 0.5731 0.0609 0.1264 0.1320 250 GLY G O 1043 N N . ILE A 135 ? 0.5972 0.5720 0.5217 0.0541 0.1317 0.1245 251 ILE G N 1044 C CA . ILE A 135 ? 0.5880 0.5723 0.5183 0.0681 0.1177 0.1201 251 ILE G CA 1045 C C . ILE A 135 ? 0.6261 0.6227 0.5596 0.0762 0.1189 0.1143 251 ILE G C 1046 O O . ILE A 135 ? 0.6046 0.6200 0.5633 0.0721 0.1278 0.1118 251 ILE G O 1047 C CB . ILE A 135 ? 0.6109 0.6200 0.5738 0.0642 0.1114 0.1191 251 ILE G CB 1048 C CG1 . ILE A 135 ? 0.5671 0.5654 0.5243 0.0537 0.1101 0.1217 251 ILE G CG1 1049 C CG2 . ILE A 135 ? 0.4713 0.4907 0.4391 0.0748 0.1007 0.1128 251 ILE G CG2 1050 C CD1 . ILE A 135 ? 0.4894 0.5117 0.4712 0.0460 0.1031 0.1214 251 ILE G CD1 1051 N N . LYS A 136 ? 0.6528 0.6391 0.5625 0.0878 0.1097 0.1111 252 LYS G N 1052 C CA . LYS A 136 ? 0.5584 0.5584 0.4695 0.0935 0.1095 0.1028 252 LYS G CA 1053 C C . LYS A 136 ? 0.5129 0.5375 0.4548 0.0974 0.1033 0.0954 252 LYS G C 1054 O O . LYS A 136 ? 0.4946 0.5216 0.4385 0.1030 0.0924 0.0931 252 LYS G O 1055 C CB . LYS A 136 ? 0.5622 0.5459 0.4356 0.1033 0.0994 0.1021 252 LYS G CB 1056 C CG . LYS A 136 ? 0.7200 0.6751 0.5534 0.0968 0.1069 0.1106 252 LYS G CG 1057 C CD . LYS A 136 ? 0.9573 0.9012 0.7518 0.1055 0.0951 0.1105 252 LYS G CD 1058 C CE . LYS A 136 ? 1.1594 1.0889 0.9411 0.1225 0.0738 0.1157 252 LYS G CE 1059 N NZ . LYS A 136 ? 1.3140 1.2013 1.0640 0.1208 0.0743 0.1309 252 LYS G NZ 1060 N N . PRO A 137 ? 0.4330 0.5187 0.5360 0.0377 0.1519 0.0988 253 PRO G N 1061 C CA . PRO A 137 ? 0.3624 0.4617 0.4829 0.0465 0.1346 0.0954 253 PRO G CA 1062 C C . PRO A 137 ? 0.4539 0.5360 0.5396 0.0575 0.1264 0.0903 253 PRO G C 1063 O O . PRO A 137 ? 0.5247 0.6121 0.6153 0.0654 0.1277 0.0837 253 PRO G O 1064 C CB . PRO A 137 ? 0.3749 0.4990 0.5344 0.0516 0.1453 0.0929 253 PRO G CB 1065 C CG . PRO A 137 ? 0.3624 0.4788 0.5087 0.0501 0.1694 0.0909 253 PRO G CG 1066 C CD . PRO A 137 ? 0.3824 0.4823 0.5049 0.0373 0.1735 0.0967 253 PRO G CD 1067 N N . VAL A 138 ? 0.3820 0.4442 0.4341 0.0579 0.1188 0.0930 254 VAL G N 1068 C CA . VAL A 138 ? 0.4734 0.5261 0.4942 0.0681 0.1104 0.0889 254 VAL G CA 1069 C C . VAL A 138 ? 0.5384 0.6018 0.5726 0.0714 0.0933 0.0846 254 VAL G C 1070 O O . VAL A 138 ? 0.5842 0.6469 0.6250 0.0682 0.0826 0.0880 254 VAL G O 1071 C CB . VAL A 138 ? 0.5305 0.5602 0.5127 0.0712 0.1087 0.0956 254 VAL G CB 1072 C CG1 . VAL A 138 ? 0.5874 0.6171 0.5423 0.0830 0.0982 0.0919 254 VAL G CG1 1073 C CG2 . VAL A 138 ? 0.5948 0.6086 0.5583 0.0667 0.1274 0.1014 254 VAL G CG2 1074 N N . VAL A 139 ? 0.5077 0.5783 0.5432 0.0761 0.0926 0.0763 255 VAL G N 1075 C CA . VAL A 139 ? 0.4881 0.5663 0.5337 0.0776 0.0793 0.0718 255 VAL G CA 1076 C C . VAL A 139 ? 0.5264 0.6029 0.5444 0.0822 0.0691 0.0679 255 VAL G C 1077 O O . VAL A 139 ? 0.5298 0.6069 0.5268 0.0849 0.0720 0.0617 255 VAL G O 1078 C CB . VAL A 139 ? 0.4930 0.5763 0.5557 0.0788 0.0856 0.0645 255 VAL G CB 1079 C CG1 . VAL A 139 ? 0.3502 0.4362 0.4171 0.0786 0.0739 0.0600 255 VAL G CG1 1080 C CG2 . VAL A 139 ? 0.4145 0.5057 0.5115 0.0783 0.0944 0.0700 255 VAL G CG2 1081 N N . SER A 140 ? 0.5014 0.5783 0.5196 0.0828 0.0575 0.0711 256 SER G N 1082 C CA . SER A 140 ? 0.3793 0.4607 0.3781 0.0890 0.0479 0.0680 256 SER G CA 1083 C C . SER A 140 ? 0.4610 0.5470 0.4704 0.0879 0.0376 0.0676 256 SER G C 1084 O O . SER A 140 ? 0.3949 0.4763 0.4197 0.0820 0.0366 0.0715 256 SER G O 1085 C CB . SER A 140 ? 0.4139 0.4839 0.3859 0.0970 0.0494 0.0755 256 SER G CB 1086 O OG . SER A 140 ? 0.4714 0.5250 0.4451 0.0952 0.0509 0.0838 256 SER G OG 1087 N N . THR A 141 ? 0.3996 0.4974 0.4002 0.0928 0.0302 0.0626 257 THR G N 1088 C CA . THR A 141 ? 0.4146 0.5171 0.4215 0.0928 0.0229 0.0617 257 THR G CA 1089 C C . THR A 141 ? 0.4660 0.5695 0.4564 0.1054 0.0193 0.0652 257 THR G C 1090 O O . THR A 141 ? 0.5046 0.6117 0.4788 0.1144 0.0193 0.0674 257 THR G O 1091 C CB . THR A 141 ? 0.4221 0.5413 0.4396 0.0867 0.0193 0.0518 257 THR G CB 1092 O OG1 . THR A 141 ? 0.3572 0.4951 0.3648 0.0903 0.0164 0.0447 257 THR G OG1 1093 C CG2 . THR A 141 ? 0.3456 0.4584 0.3770 0.0778 0.0246 0.0498 257 THR G CG2 1094 N N . GLN A 142 ? 0.3868 0.4859 0.3800 0.1070 0.0170 0.0663 258 GLN G N 1095 C CA . GLN A 142 ? 0.4022 0.4989 0.3828 0.1216 0.0159 0.0700 258 GLN G CA 1096 C C . GLN A 142 ? 0.4734 0.5411 0.4342 0.1293 0.0223 0.0805 258 GLN G C 1097 O O . GLN A 142 ? 0.5176 0.5618 0.4710 0.1312 0.0268 0.0841 258 GLN G O 1098 C CB . GLN A 142 ? 0.4294 0.5574 0.4093 0.1322 0.0093 0.0659 258 GLN G CB 1099 C CG . GLN A 142 ? 0.4388 0.5945 0.4372 0.1225 0.0050 0.0544 258 GLN G CG 1100 C CD . GLN A 142 ? 0.5064 0.6988 0.5083 0.1325 -0.0021 0.0498 258 GLN G CD 1101 O OE1 . GLN A 142 ? 0.5045 0.7025 0.4950 0.1502 -0.0053 0.0569 258 GLN G OE1 1102 N NE2 . GLN A 142 ? 0.3720 0.5904 0.3900 0.1211 -0.0044 0.0385 258 GLN G NE2 1103 N N . LEU A 143 ? 0.5332 0.5994 0.4821 0.1325 0.0246 0.0847 259 LEU G N 1104 C CA . LEU A 143 ? 0.4764 0.5123 0.4028 0.1388 0.0327 0.0958 259 LEU G CA 1105 C C . LEU A 143 ? 0.5865 0.6079 0.5167 0.1232 0.0415 0.0971 259 LEU G C 1106 O O . LEU A 143 ? 0.5851 0.6228 0.5262 0.1158 0.0416 0.0921 259 LEU G O 1107 C CB . LEU A 143 ? 0.4791 0.5223 0.3832 0.1558 0.0299 0.1022 259 LEU G CB 1108 C CG . LEU A 143 ? 0.4913 0.5592 0.3956 0.1741 0.0197 0.1021 259 LEU G CG 1109 C CD1 . LEU A 143 ? 0.4304 0.5115 0.3121 0.1892 0.0140 0.1094 259 LEU G CD1 1110 C CD2 . LEU A 143 ? 0.4893 0.5335 0.3893 0.1861 0.0243 0.1079 259 LEU G CD2 1111 N N . LEU A 144 ? 0.5105 0.5016 0.4328 0.1177 0.0501 0.1031 260 LEU G N 1112 C CA . LEU A 144 ? 0.5016 0.4829 0.4291 0.1029 0.0598 0.1052 260 LEU G CA 1113 C C . LEU A 144 ? 0.5905 0.5542 0.4903 0.1103 0.0695 0.1142 260 LEU G C 1114 O O . LEU A 144 ? 0.6118 0.5489 0.4849 0.1216 0.0733 0.1228 260 LEU G O 1115 C CB . LEU A 144 ? 0.4979 0.4590 0.4314 0.0883 0.0645 0.1056 260 LEU G CB 1116 C CG . LEU A 144 ? 0.5380 0.5140 0.4934 0.0792 0.0548 0.0980 260 LEU G CG 1117 C CD1 . LEU A 144 ? 0.4509 0.4056 0.4051 0.0629 0.0589 0.0977 260 LEU G CD1 1118 C CD2 . LEU A 144 ? 0.4468 0.4544 0.4308 0.0725 0.0491 0.0936 260 LEU G CD2 1119 N N . LEU A 145 ? 0.5612 0.5370 0.4649 0.1050 0.0747 0.1125 261 LEU G N 1120 C CA . LEU A 145 ? 0.6045 0.5660 0.4774 0.1115 0.0838 0.1204 261 LEU G CA 1121 C C . LEU A 145 ? 0.6555 0.5994 0.5288 0.0966 0.1014 0.1243 261 LEU G C 1122 O O . LEU A 145 ? 0.5618 0.5209 0.4670 0.0822 0.1049 0.1181 261 LEU G O 1123 C CB . LEU A 145 ? 0.5648 0.5529 0.4338 0.1169 0.0783 0.1140 261 LEU G CB 1124 C CG . LEU A 145 ? 0.5790 0.5917 0.4497 0.1287 0.0612 0.1085 261 LEU G CG 1125 C CD1 . LEU A 145 ? 0.5619 0.5997 0.4285 0.1277 0.0574 0.0992 261 LEU G CD1 1126 C CD2 . LEU A 145 ? 0.5863 0.5862 0.4302 0.1474 0.0560 0.1198 261 LEU G CD2 1127 N N . ASN A 146 ? 0.6531 0.5660 0.4913 0.1008 0.1128 0.1356 262 ASN G N 1128 C CA . ASN A 146 ? 0.6935 0.5897 0.5267 0.0863 0.1327 0.1397 262 ASN G CA 1129 C C . ASN A 146 ? 0.6830 0.5751 0.5454 0.0654 0.1399 0.1367 262 ASN G C 1130 O O . ASN A 146 ? 0.6703 0.5689 0.5488 0.0497 0.1538 0.1353 262 ASN G O 1131 C CB . ASN A 146 ? 0.6398 0.5612 0.4818 0.0828 0.1384 0.1330 262 ASN G CB 1132 C CG . ASN A 146 ? 0.7480 0.6624 0.5470 0.0963 0.1393 0.1383 262 ASN G CG 1133 O OD1 . ASN A 146 ? 0.6673 0.5616 0.4320 0.1109 0.1336 0.1490 262 ASN G OD1 1134 N ND2 . ASN A 146 ? 0.8942 0.8252 0.6938 0.0923 0.1466 0.1310 262 ASN G ND2 1135 N N . GLY A 147 ? 0.7384 0.6223 0.6077 0.0645 0.1306 0.1350 263 GLY G N 1136 C CA . GLY A 147 ? 0.6436 0.5265 0.5378 0.0428 0.1341 0.1306 263 GLY G CA 1137 C C . GLY A 147 ? 0.7432 0.5787 0.6093 0.0328 0.1494 0.1376 263 GLY G C 1138 O O . GLY A 147 ? 0.7971 0.5982 0.6239 0.0440 0.1596 0.1482 263 GLY G O 1139 N N . SER A 148 ? 0.8022 0.6344 0.6860 0.0109 0.1512 0.1319 264 SER G N 1140 C CA . SER A 148 ? 0.8342 0.6171 0.6913 -0.0035 0.1669 0.1356 264 SER G CA 1141 C C . SER A 148 ? 0.8558 0.6015 0.6843 0.0104 0.1620 0.1366 264 SER G C 1142 O O . SER A 148 ? 0.7638 0.5311 0.6053 0.0216 0.1450 0.1307 264 SER G O 1143 C CB . SER A 148 ? 0.8744 0.6728 0.7627 -0.0367 0.1707 0.1267 264 SER G CB 1144 O OG . SER A 148 ? 0.9276 0.7701 0.8519 -0.0464 0.1740 0.1252 264 SER G OG 1145 N N . LEU A 149 ? 0.7979 0.4852 0.5869 0.0099 0.1790 0.1444 265 LEU G N 1146 C CA . LEU A 149 ? 0.8832 0.5278 0.6433 0.0246 0.1790 0.1460 265 LEU G CA 1147 C C . LEU A 149 ? 0.9335 0.5492 0.6925 -0.0034 0.1867 0.1352 265 LEU G C 1148 O O . LEU A 149 ? 1.0219 0.6304 0.7867 -0.0336 0.1991 0.1317 265 LEU G O 1149 C CB . LEU A 149 ? 0.8776 0.4687 0.5894 0.0470 0.1935 0.1632 265 LEU G CB 1150 C CG . LEU A 149 ? 0.8517 0.4647 0.5529 0.0776 0.1847 0.1751 265 LEU G CG 1151 C CD1 . LEU A 149 ? 0.9337 0.4894 0.5833 0.0947 0.2010 0.1945 265 LEU G CD1 1152 C CD2 . LEU A 149 ? 0.8281 0.4736 0.5432 0.1028 0.1635 0.1711 265 LEU G CD2 1153 N N . ALA A 150 ? 0.8707 0.4714 0.6220 0.0052 0.1802 0.1287 266 ALA G N 1154 C CA . ALA A 150 ? 0.9685 0.5300 0.7068 -0.0197 0.1898 0.1176 266 ALA G CA 1155 C C . ALA A 150 ? 1.0824 0.5674 0.7756 -0.0237 0.2166 0.1261 266 ALA G C 1156 O O . ALA A 150 ? 1.0789 0.5303 0.7419 0.0064 0.2246 0.1415 266 ALA G O 1157 C CB . ALA A 150 ? 0.8745 0.4323 0.6089 -0.0058 0.1800 0.1092 266 ALA G CB 1158 N N . GLU A 151 ? 1.2242 0.6821 0.9121 -0.0615 0.2303 0.1164 267 GLU G N 1159 C CA . GLU A 151 ? 1.3367 0.7201 0.9827 -0.0729 0.2590 0.1235 267 GLU G CA 1160 C C . GLU A 151 ? 1.3671 0.6868 0.9718 -0.0481 0.2688 0.1247 267 GLU G C 1161 O O . GLU A 151 ? 1.3962 0.6838 0.9746 -0.0272 0.2793 0.1352 267 GLU G O 1162 C CB . GLU A 151 ? 1.4724 0.8504 1.1278 -0.1241 0.2695 0.1084 267 GLU G CB 1163 C CG . GLU A 151 ? 1.4951 0.9535 1.2040 -0.1479 0.2557 0.1027 267 GLU G CG 1164 C CD . GLU A 151 ? 1.5247 0.9872 1.2353 -0.1506 0.2706 0.1157 267 GLU G CD 1165 O OE1 . GLU A 151 ? 1.7235 1.1347 1.3983 -0.1432 0.2874 0.1224 267 GLU G OE1 1166 O OE2 . GLU A 151 ? 1.4373 0.9685 1.1919 -0.1549 0.2592 0.1151 267 GLU G OE2 1167 N N . GLU A 152 ? 1.1986 0.5043 0.7994 -0.0501 0.2653 0.1126 268 GLU G N 1168 C CA . GLU A 152 ? 1.2047 0.4546 0.7710 -0.0287 0.2767 0.1097 268 GLU G CA 1169 C C . GLU A 152 ? 1.1497 0.4134 0.7187 0.0138 0.2647 0.1160 268 GLU G C 1170 O O . GLU A 152 ? 1.1478 0.4246 0.7150 0.0514 0.2596 0.1320 268 GLU G O 1171 C CB . GLU A 152 ? 1.3081 0.5224 0.8607 -0.0651 0.2871 0.0875 268 GLU G CB 1172 C CG . GLU A 152 ? 1.4392 0.6262 0.9796 -0.1014 0.3038 0.0801 268 GLU G CG 1173 C CD . GLU A 152 ? 1.5982 0.7436 1.1164 -0.1322 0.3157 0.0577 268 GLU G CD 1174 O OE1 . GLU A 152 ? 1.5879 0.7233 1.0981 -0.1247 0.3119 0.0478 268 GLU G OE1 1175 O OE2 . GLU A 152 ? 1.6957 0.8189 1.2031 -0.1644 0.3295 0.0491 268 GLU G OE2 1176 N N . GLU A 153 ? 1.1479 0.4131 0.7219 0.0063 0.2595 0.1021 269 GLU G N 1177 C CA . GLU A 153 ? 1.2071 0.4958 0.7900 0.0443 0.2478 0.1036 269 GLU G CA 1178 C C . GLU A 153 ? 1.0912 0.4718 0.7212 0.0503 0.2187 0.1034 269 GLU G C 1179 O O . GLU A 153 ? 1.0069 0.4316 0.6636 0.0231 0.2073 0.0990 269 GLU G O 1180 C CB . GLU A 153 ? 1.2758 0.5332 0.8441 0.0347 0.2553 0.0843 269 GLU G CB 1181 C CG . GLU A 153 ? 1.4795 0.6585 1.0061 0.0242 0.2823 0.0775 269 GLU G CG 1182 C CD . GLU A 153 ? 1.6303 0.7766 1.1379 0.0396 0.2928 0.0656 269 GLU G CD 1183 O OE1 . GLU A 153 ? 1.8288 0.9215 1.3054 0.0237 0.3130 0.0538 269 GLU G OE1 1184 O OE2 . GLU A 153 ? 1.6083 0.7841 1.1321 0.0675 0.2823 0.0675 269 GLU G OE2 1185 N N . ILE A 154 ? 1.0830 0.4918 0.7239 0.0865 0.2081 0.1084 270 ILE G N 1186 C CA . ILE A 154 ? 0.9822 0.4712 0.6645 0.0901 0.1827 0.1047 270 ILE G CA 1187 C C . ILE A 154 ? 0.9361 0.4452 0.6330 0.0590 0.1747 0.0848 270 ILE G C 1188 O O . ILE A 154 ? 1.0507 0.5200 0.7262 0.0525 0.1859 0.0733 270 ILE G O 1189 C CB . ILE A 154 ? 0.9856 0.4991 0.6757 0.1320 0.1750 0.1120 270 ILE G CB 1190 C CG1 . ILE A 154 ? 0.9928 0.4968 0.6692 0.1628 0.1780 0.1335 270 ILE G CG1 1191 C CG2 . ILE A 154 ? 0.7825 0.3721 0.5127 0.1300 0.1517 0.1047 270 ILE G CG2 1192 C CD1 . ILE A 154 ? 1.0068 0.5409 0.6928 0.2043 0.1689 0.1417 270 ILE G CD1 1193 N N . ILE A 155 ? 0.8697 0.4379 0.6003 0.0402 0.1562 0.0810 271 ILE G N 1194 C CA . ILE A 155 ? 0.8739 0.4641 0.6172 0.0097 0.1463 0.0650 271 ILE G CA 1195 C C . ILE A 155 ? 0.8249 0.4760 0.5984 0.0193 0.1256 0.0623 271 ILE G C 1196 O O . ILE A 155 ? 0.7527 0.4496 0.5531 0.0293 0.1132 0.0703 271 ILE G O 1197 C CB . ILE A 155 ? 0.9245 0.5295 0.6817 -0.0263 0.1432 0.0624 271 ILE G CB 1198 C CG1 . ILE A 155 ? 1.0141 0.5539 0.7385 -0.0433 0.1663 0.0620 271 ILE G CG1 1199 C CG2 . ILE A 155 ? 0.8439 0.4839 0.6181 -0.0547 0.1277 0.0486 271 ILE G CG2 1200 C CD1 . ILE A 155 ? 1.0405 0.5965 0.7807 -0.0805 0.1661 0.0589 271 ILE G CD1 1201 N N . ILE A 156 ? 0.7646 0.4123 0.5305 0.0152 0.1240 0.0504 272 ILE G N 1202 C CA . ILE A 156 ? 0.7165 0.4162 0.5068 0.0195 0.1067 0.0470 272 ILE G CA 1203 C C . ILE A 156 ? 0.7609 0.4923 0.5673 -0.0130 0.0916 0.0409 272 ILE G C 1204 O O . ILE A 156 ? 0.7331 0.4414 0.5218 -0.0401 0.0949 0.0306 272 ILE G O 1205 C CB . ILE A 156 ? 0.7841 0.4674 0.5577 0.0316 0.1136 0.0379 272 ILE G CB 1206 C CG1 . ILE A 156 ? 0.7767 0.4294 0.5366 0.0665 0.1292 0.0451 272 ILE G CG1 1207 C CG2 . ILE A 156 ? 0.7521 0.4882 0.5497 0.0350 0.0975 0.0356 272 ILE G CG2 1208 C CD1 . ILE A 156 ? 0.7098 0.3995 0.4930 0.0932 0.1205 0.0598 272 ILE G CD1 1209 N N . ARG A 157 ? 0.6196 0.4038 0.4587 -0.0100 0.0751 0.0471 273 ARG G N 1210 C CA . ARG A 157 ? 0.6471 0.4669 0.5062 -0.0351 0.0594 0.0449 273 ARG G CA 1211 C C . ARG A 157 ? 0.6236 0.4803 0.4969 -0.0299 0.0446 0.0441 273 ARG G C 1212 O O . ARG A 157 ? 0.5731 0.4511 0.4612 -0.0082 0.0418 0.0498 273 ARG G O 1213 C CB . ARG A 157 ? 0.6166 0.4628 0.5034 -0.0387 0.0554 0.0541 273 ARG G CB 1214 C CG . ARG A 157 ? 0.7278 0.5375 0.6002 -0.0417 0.0723 0.0573 273 ARG G CG 1215 C CD . ARG A 157 ? 0.7048 0.5438 0.6053 -0.0507 0.0699 0.0645 273 ARG G CD 1216 N NE . ARG A 157 ? 0.7752 0.5776 0.6591 -0.0517 0.0883 0.0692 273 ARG G NE 1217 C CZ . ARG A 157 ? 0.8126 0.5809 0.6791 -0.0766 0.1002 0.0638 273 ARG G CZ 1218 N NH1 . ARG A 157 ? 0.8045 0.5358 0.6533 -0.0763 0.1188 0.0699 273 ARG G NH1 1219 N NH2 . ARG A 157 ? 0.6926 0.4622 0.5562 -0.1033 0.0940 0.0520 273 ARG G NH2 1220 N N . SER A 158 ? 0.6382 0.5011 0.5039 -0.0515 0.0355 0.0370 274 SER G N 1221 C CA . SER A 158 ? 0.5995 0.4939 0.4741 -0.0502 0.0217 0.0378 274 SER G CA 1222 C C . SER A 158 ? 0.5783 0.4850 0.4468 -0.0784 0.0080 0.0336 274 SER G C 1223 O O . SER A 158 ? 0.5983 0.4790 0.4430 -0.0995 0.0126 0.0239 274 SER G O 1224 C CB . SER A 158 ? 0.4965 0.3737 0.3512 -0.0349 0.0308 0.0317 274 SER G CB 1225 O OG . SER A 158 ? 0.5498 0.4505 0.4057 -0.0395 0.0196 0.0314 274 SER G OG 1226 N N . GLU A 159 ? 0.5264 0.4720 0.4148 -0.0791 -0.0090 0.0411 275 GLU G N 1227 C CA . GLU A 159 ? 0.5549 0.5183 0.4370 -0.1029 -0.0255 0.0399 275 GLU G CA 1228 C C . GLU A 159 ? 0.5509 0.4859 0.3907 -0.1129 -0.0211 0.0280 275 GLU G C 1229 O O . GLU A 159 ? 0.6340 0.5662 0.4524 -0.1384 -0.0291 0.0208 275 GLU G O 1230 C CB . GLU A 159 ? 0.6293 0.6361 0.5396 -0.0958 -0.0432 0.0535 275 GLU G CB 1231 C CG . GLU A 159 ? 0.6183 0.6527 0.5288 -0.1175 -0.0640 0.0567 275 GLU G CG 1232 C CD . GLU A 159 ? 0.6589 0.7347 0.6025 -0.1059 -0.0799 0.0734 275 GLU G CD 1233 O OE1 . GLU A 159 ? 0.7089 0.7847 0.6654 -0.0836 -0.0739 0.0799 275 GLU G OE1 1234 O OE2 . GLU A 159 ? 0.7236 0.8323 0.6806 -0.1189 -0.0982 0.0800 275 GLU G OE2 1235 N N . ASN A 160 ? 0.5400 0.4560 0.3679 -0.0935 -0.0078 0.0250 276 ASN G N 1236 C CA . ASN A 160 ? 0.5668 0.4550 0.3558 -0.0992 0.0010 0.0131 276 ASN G CA 1237 C C . ASN A 160 ? 0.6216 0.4940 0.4086 -0.0733 0.0192 0.0104 276 ASN G C 1238 O O . ASN A 160 ? 0.5695 0.4644 0.3704 -0.0598 0.0163 0.0165 276 ASN G O 1239 C CB . ASN A 160 ? 0.6068 0.5176 0.3854 -0.1114 -0.0154 0.0166 276 ASN G CB 1240 C CG . ASN A 160 ? 0.9229 0.8158 0.6613 -0.1404 -0.0192 0.0046 276 ASN G CG 1241 O OD1 . ASN A 160 ? 1.0762 0.9285 0.7807 -0.1461 -0.0017 -0.0107 276 ASN G OD1 1242 N ND2 . ASN A 160 ? 1.2781 1.2017 1.0194 -0.1587 -0.0422 0.0114 276 ASN G ND2 1243 N N . LEU A 161 ? 0.5813 0.4151 0.3510 -0.0668 0.0382 0.0015 277 LEU G N 1244 C CA . LEU A 161 ? 0.6661 0.4886 0.4381 -0.0391 0.0554 0.0000 277 LEU G CA 1245 C C . LEU A 161 ? 0.5833 0.4113 0.3427 -0.0355 0.0605 -0.0059 277 LEU G C 1246 O O . LEU A 161 ? 0.8526 0.6958 0.6290 -0.0133 0.0677 -0.0035 277 LEU G O 1247 C CB . LEU A 161 ? 0.6755 0.4488 0.4250 -0.0332 0.0760 -0.0082 277 LEU G CB 1248 C CG . LEU A 161 ? 0.7204 0.4831 0.4831 -0.0266 0.0782 -0.0003 277 LEU G CG 1249 C CD1 . LEU A 161 ? 0.7385 0.4430 0.4714 -0.0216 0.1010 -0.0081 277 LEU G CD1 1250 C CD2 . LEU A 161 ? 0.6588 0.4543 0.4558 0.0009 0.0740 0.0128 277 LEU G CD2 1251 N N . THR A 162 ? 0.6145 0.4320 0.3432 -0.0587 0.0573 -0.0140 278 THR G N 1252 C CA . THR A 162 ? 0.6562 0.4753 0.3671 -0.0584 0.0644 -0.0200 278 THR G CA 1253 C C . THR A 162 ? 0.6237 0.4846 0.3571 -0.0566 0.0492 -0.0077 278 THR G C 1254 O O . THR A 162 ? 0.6614 0.5284 0.3864 -0.0542 0.0561 -0.0101 278 THR G O 1255 C CB . THR A 162 ? 0.8253 0.6160 0.4884 -0.0857 0.0666 -0.0332 278 THR G CB 1256 O OG1 . THR A 162 ? 1.0271 0.8357 0.6879 -0.1100 0.0425 -0.0269 278 THR G OG1 1257 C CG2 . THR A 162 ? 0.9104 0.6507 0.5461 -0.0879 0.0869 -0.0481 278 THR G CG2 1258 N N . ASN A 163 ? 0.5976 0.4846 0.3588 -0.0579 0.0308 0.0053 279 ASN G N 1259 C CA . ASN A 163 ? 0.5534 0.4739 0.3358 -0.0551 0.0175 0.0179 279 ASN G CA 1260 C C . ASN A 163 ? 0.5339 0.4744 0.3535 -0.0320 0.0217 0.0237 279 ASN G C 1261 O O . ASN A 163 ? 0.5158 0.4651 0.3590 -0.0252 0.0160 0.0298 279 ASN G O 1262 C CB . ASN A 163 ? 0.5396 0.4777 0.3297 -0.0700 -0.0049 0.0286 279 ASN G CB 1263 C CG . ASN A 163 ? 0.5340 0.4988 0.3395 -0.0669 -0.0175 0.0427 279 ASN G CG 1264 O OD1 . ASN A 163 ? 0.5147 0.4882 0.3360 -0.0527 -0.0101 0.0454 279 ASN G OD1 1265 N ND2 . ASN A 163 ? 0.4978 0.4758 0.2987 -0.0806 -0.0365 0.0521 279 ASN G ND2 1266 N N . ASN A 164 ? 0.4684 0.4181 0.2924 -0.0218 0.0319 0.0212 280 ASN G N 1267 C CA . ASN A 164 ? 0.4347 0.4055 0.2911 -0.0019 0.0365 0.0238 280 ASN G CA 1268 C C . ASN A 164 ? 0.5002 0.4949 0.3836 -0.0009 0.0226 0.0355 280 ASN G C 1269 O O . ASN A 164 ? 0.4971 0.5091 0.4053 0.0127 0.0245 0.0369 280 ASN G O 1270 C CB . ASN A 164 ? 0.4846 0.4652 0.3415 0.0051 0.0509 0.0167 280 ASN G CB 1271 C CG . ASN A 164 ? 0.5841 0.5744 0.4339 -0.0083 0.0476 0.0206 280 ASN G CG 1272 O OD1 . ASN A 164 ? 0.5184 0.5224 0.3832 -0.0111 0.0360 0.0306 280 ASN G OD1 1273 N ND2 . ASN A 164 ? 0.4683 0.4480 0.2930 -0.0159 0.0599 0.0128 280 ASN G ND2 1274 N N . ALA A 165 ? 0.4951 0.4909 0.3727 -0.0146 0.0089 0.0437 281 ALA G N 1275 C CA . ALA A 165 ? 0.5309 0.5453 0.4336 -0.0119 -0.0022 0.0552 281 ALA G CA 1276 C C . ALA A 165 ? 0.5333 0.5512 0.4526 -0.0099 -0.0100 0.0598 281 ALA G C 1277 O O . ALA A 165 ? 0.5046 0.5372 0.4481 -0.0040 -0.0155 0.0676 281 ALA G O 1278 C CB . ALA A 165 ? 0.5120 0.5279 0.4029 -0.0235 -0.0125 0.0646 281 ALA G CB 1279 N N . LYS A 166 ? 0.4809 0.4829 0.3861 -0.0159 -0.0080 0.0541 282 LYS G N 1280 C CA . LYS A 166 ? 0.5254 0.5289 0.4446 -0.0172 -0.0126 0.0575 282 LYS G CA 1281 C C . LYS A 166 ? 0.5400 0.5386 0.4702 -0.0009 -0.0014 0.0548 282 LYS G C 1282 O O . LYS A 166 ? 0.5521 0.5366 0.4698 0.0081 0.0102 0.0476 282 LYS G O 1283 C CB . LYS A 166 ? 0.5968 0.5832 0.4935 -0.0356 -0.0153 0.0522 282 LYS G CB 1284 C CG . LYS A 166 ? 0.7148 0.7106 0.5985 -0.0534 -0.0302 0.0560 282 LYS G CG 1285 C CD . LYS A 166 ? 0.6580 0.6848 0.5715 -0.0508 -0.0453 0.0706 282 LYS G CD 1286 C CE . LYS A 166 ? 0.6765 0.7151 0.5762 -0.0654 -0.0623 0.0775 282 LYS G CE 1287 N NZ . LYS A 166 ? 0.7221 0.7875 0.6497 -0.0564 -0.0747 0.0940 282 LYS G NZ 1288 N N . THR A 167 ? 0.5265 0.5377 0.4796 0.0041 -0.0048 0.0614 283 THR G N 1289 C CA . THR A 167 ? 0.5450 0.5527 0.5055 0.0191 0.0040 0.0611 283 THR G CA 1290 C C . THR A 167 ? 0.5273 0.5060 0.4687 0.0175 0.0131 0.0569 283 THR G C 1291 O O . THR A 167 ? 0.5129 0.4788 0.4438 0.0005 0.0110 0.0552 283 THR G O 1292 C CB . THR A 167 ? 0.5942 0.6196 0.5797 0.0224 0.0001 0.0686 283 THR G CB 1293 O OG1 . THR A 167 ? 0.7183 0.7638 0.7195 0.0229 -0.0068 0.0727 283 THR G OG1 1294 C CG2 . THR A 167 ? 0.6043 0.6280 0.5926 0.0384 0.0085 0.0685 283 THR G CG2 1295 N N . ILE A 168 ? 0.4582 0.4261 0.3941 0.0349 0.0233 0.0556 284 ILE G N 1296 C CA . ILE A 168 ? 0.4817 0.4159 0.3984 0.0375 0.0344 0.0542 284 ILE G CA 1297 C C . ILE A 168 ? 0.5532 0.4879 0.4785 0.0477 0.0373 0.0620 284 ILE G C 1298 O O . ILE A 168 ? 0.6042 0.5584 0.5409 0.0641 0.0359 0.0656 284 ILE G O 1299 C CB . ILE A 168 ? 0.5870 0.5022 0.4862 0.0531 0.0460 0.0486 284 ILE G CB 1300 C CG1 . ILE A 168 ? 0.5369 0.4504 0.4244 0.0423 0.0459 0.0398 284 ILE G CG1 1301 C CG2 . ILE A 168 ? 0.6617 0.5336 0.5379 0.0573 0.0596 0.0486 284 ILE G CG2 1302 C CD1 . ILE A 168 ? 0.6096 0.5137 0.4869 0.0596 0.0586 0.0337 284 ILE G CD1 1303 N N . ILE A 169 ? 0.6140 0.5276 0.5319 0.0358 0.0419 0.0640 285 ILE G N 1304 C CA . ILE A 169 ? 0.5595 0.4666 0.4788 0.0438 0.0481 0.0717 285 ILE G CA 1305 C C . ILE A 169 ? 0.6626 0.5242 0.5530 0.0516 0.0630 0.0728 285 ILE G C 1306 O O . ILE A 169 ? 0.6910 0.5207 0.5639 0.0354 0.0702 0.0679 285 ILE G O 1307 C CB . ILE A 169 ? 0.4816 0.4001 0.4171 0.0248 0.0451 0.0747 285 ILE G CB 1308 C CG1 . ILE A 169 ? 0.4962 0.4572 0.4614 0.0228 0.0322 0.0762 285 ILE G CG1 1309 C CG2 . ILE A 169 ? 0.4771 0.3814 0.4073 0.0310 0.0558 0.0821 285 ILE G CG2 1310 C CD1 . ILE A 169 ? 0.5216 0.5011 0.5091 0.0064 0.0288 0.0794 285 ILE G CD1 1311 N N . VAL A 170 ? 0.6510 0.5087 0.5348 0.0764 0.0677 0.0795 286 VAL G N 1312 C CA . VAL A 170 ? 0.6907 0.5030 0.5463 0.0891 0.0825 0.0846 286 VAL G CA 1313 C C . VAL A 170 ? 0.7478 0.5473 0.5976 0.0854 0.0885 0.0942 286 VAL G C 1314 O O . VAL A 170 ? 0.7217 0.5463 0.5810 0.0967 0.0834 0.1011 286 VAL G O 1315 C CB . VAL A 170 ? 0.5931 0.4099 0.4437 0.1212 0.0836 0.0890 286 VAL G CB 1316 C CG1 . VAL A 170 ? 0.6332 0.3989 0.4532 0.1381 0.0996 0.0973 286 VAL G CG1 1317 C CG2 . VAL A 170 ? 0.6020 0.4344 0.4606 0.1237 0.0804 0.0788 286 VAL G CG2 1318 N N . HIS A 171 ? 0.7078 0.4674 0.5402 0.0673 0.1006 0.0934 287 HIS G N 1319 C CA . HIS A 171 ? 0.7147 0.4595 0.5405 0.0597 0.1096 0.1018 287 HIS G CA 1320 C C . HIS A 171 ? 0.8224 0.5142 0.6117 0.0787 0.1260 0.1125 287 HIS G C 1321 O O . HIS A 171 ? 0.7521 0.3938 0.5162 0.0740 0.1396 0.1096 287 HIS G O 1322 C CB . HIS A 171 ? 0.6771 0.4160 0.5099 0.0244 0.1132 0.0947 287 HIS G CB 1323 C CG . HIS A 171 ? 0.7338 0.4776 0.5738 0.0126 0.1201 0.1015 287 HIS G CG 1324 N ND1 . HIS A 171 ? 0.7302 0.4696 0.5776 -0.0191 0.1264 0.0966 287 HIS G ND1 1325 C CD2 . HIS A 171 ? 0.7840 0.5388 0.6247 0.0272 0.1226 0.1119 287 HIS G CD2 1326 C CE1 . HIS A 171 ? 0.8037 0.5514 0.6584 -0.0228 0.1342 0.1041 287 HIS G CE1 1327 N NE2 . HIS A 171 ? 0.7982 0.5530 0.6466 0.0051 0.1325 0.1134 287 HIS G NE2 1328 N N . LEU A 172 ? 0.7163 0.4172 0.5002 0.1006 0.1250 0.1250 288 LEU G N 1329 C CA . LEU A 172 ? 0.8313 0.4868 0.5797 0.1248 0.1378 0.1390 288 LEU G CA 1330 C C . LEU A 172 ? 0.8753 0.4784 0.5969 0.1075 0.1576 0.1454 288 LEU G C 1331 O O . LEU A 172 ? 0.7790 0.3964 0.5149 0.0806 0.1592 0.1417 288 LEU G O 1332 C CB . LEU A 172 ? 0.6935 0.3817 0.4429 0.1520 0.1274 0.1505 288 LEU G CB 1333 C CG . LEU A 172 ? 0.7883 0.5317 0.5652 0.1668 0.1085 0.1438 288 LEU G CG 1334 C CD1 . LEU A 172 ? 0.7831 0.5599 0.5587 0.1881 0.0980 0.1534 288 LEU G CD1 1335 C CD2 . LEU A 172 ? 0.7830 0.5106 0.5552 0.1840 0.1110 0.1406 288 LEU G CD2 1336 N N . ASN A 173 ? 0.9818 0.5237 0.6654 0.1233 0.1740 0.1554 289 ASN G N 1337 C CA . ASN A 173 ? 0.9848 0.4687 0.6367 0.1083 0.1959 0.1635 289 ASN G CA 1338 C C . ASN A 173 ? 1.0547 0.5292 0.6828 0.1334 0.1990 0.1822 289 ASN G C 1339 O O . ASN A 173 ? 1.0390 0.4768 0.6444 0.1233 0.2143 0.1863 289 ASN G O 1340 C CB . ASN A 173 ? 1.0799 0.4923 0.7016 0.1019 0.2156 0.1590 289 ASN G CB 1341 C CG . ASN A 173 ? 1.1673 0.5640 0.7749 0.1403 0.2155 0.1629 289 ASN G CG 1342 O OD1 . ASN A 173 ? 1.1539 0.5896 0.7714 0.1721 0.2013 0.1718 289 ASN G OD1 1343 N ND2 . ASN A 173 ? 1.3632 0.7068 0.9493 0.1353 0.2319 0.1542 289 ASN G ND2 1344 N N . LYS A 174 ? 1.0236 0.5434 0.6627 0.1627 0.1811 0.1882 290 LYS G N 1345 C CA . LYS A 174 ? 0.9955 0.5252 0.6188 0.1844 0.1771 0.2005 290 LYS G CA 1346 C C . LYS A 174 ? 0.9750 0.5695 0.6194 0.1954 0.1564 0.2021 290 LYS G C 1347 O O . LYS A 174 ? 0.9248 0.5574 0.5910 0.2100 0.1410 0.1972 290 LYS G O 1348 C CB . LYS A 174 ? 1.1470 0.6547 0.7525 0.2150 0.1787 0.2062 290 LYS G CB 1349 C CG . LYS A 174 ? 1.2827 0.7810 0.8618 0.2326 0.1802 0.2207 290 LYS G CG 1350 C CD . LYS A 174 ? 1.5124 0.9950 1.0785 0.2649 0.1810 0.2277 290 LYS G CD 1351 C CE . LYS A 174 ? 1.6473 1.0719 1.2010 0.2587 0.2008 0.2211 290 LYS G CE 1352 N NZ . LYS A 174 ? 1.6816 1.0939 1.2261 0.2919 0.2030 0.2275 290 LYS G NZ 1353 N N . SER A 175 ? 0.9873 0.5936 0.6243 0.1866 0.1577 0.2075 291 SER G N 1354 C CA . SER A 175 ? 1.0485 0.7117 0.7004 0.1935 0.1409 0.2073 291 SER G CA 1355 C C . SER A 175 ? 0.9919 0.6842 0.6393 0.2245 0.1239 0.2119 291 SER G C 1356 O O . SER A 175 ? 1.0657 0.7319 0.6898 0.2408 0.1279 0.2208 291 SER G O 1357 C CB . SER A 175 ? 1.1381 0.8011 0.7777 0.1767 0.1503 0.2115 291 SER G CB 1358 O OG . SER A 175 ? 1.2075 0.8674 0.8681 0.1445 0.1620 0.2019 291 SER G OG 1359 N N . VAL A 176 ? 0.9045 0.6528 0.5755 0.2315 0.1052 0.2057 292 VAL G N 1360 C CA . VAL A 176 ? 0.9877 0.7754 0.6590 0.2554 0.0875 0.2080 292 VAL G CA 1361 C C . VAL A 176 ? 0.8946 0.7268 0.5685 0.2491 0.0759 0.2047 292 VAL G C 1362 O O . VAL A 176 ? 0.7935 0.6592 0.4922 0.2394 0.0686 0.1947 292 VAL G O 1363 C CB . VAL A 176 ? 1.0244 0.8420 0.7241 0.2701 0.0756 0.2004 292 VAL G CB 1364 C CG1 . VAL A 176 ? 1.0623 0.9299 0.7674 0.2904 0.0568 0.2016 292 VAL G CG1 1365 C CG2 . VAL A 176 ? 0.9343 0.7047 0.6265 0.2779 0.0894 0.2029 292 VAL G CG2 1366 N N . GLU A 177 ? 0.8215 0.6514 0.4670 0.2540 0.0752 0.2131 293 GLU G N 1367 C CA . GLU A 177 ? 0.9079 0.7728 0.5476 0.2459 0.0675 0.2090 293 GLU G CA 1368 C C . GLU A 177 ? 0.8344 0.7610 0.4985 0.2534 0.0451 0.1984 293 GLU G C 1369 O O . GLU A 177 ? 0.8258 0.7743 0.5015 0.2712 0.0323 0.1988 293 GLU G O 1370 C CB . GLU A 177 ? 0.9306 0.7809 0.5310 0.2512 0.0696 0.2201 293 GLU G CB 1371 C CG . GLU A 177 ? 1.1123 0.9121 0.6876 0.2344 0.0934 0.2268 293 GLU G CG 1372 C CD . GLU A 177 ? 1.1776 0.9670 0.7125 0.2376 0.0950 0.2368 293 GLU G CD 1373 O OE1 . GLU A 177 ? 1.3307 1.0772 0.8425 0.2253 0.1152 0.2435 293 GLU G OE1 1374 O OE2 . GLU A 177 ? 1.0456 0.8708 0.5716 0.2507 0.0760 0.2376 293 GLU G OE2 1375 N N . ILE A 178 ? 0.7633 0.7182 0.4369 0.2382 0.0425 0.1877 294 ILE G N 1376 C CA . ILE A 178 ? 0.7577 0.7707 0.4505 0.2388 0.0227 0.1743 294 ILE G CA 1377 C C . ILE A 178 ? 0.7425 0.7700 0.4105 0.2275 0.0219 0.1692 294 ILE G C 1378 O O . ILE A 178 ? 0.7853 0.7978 0.4551 0.2065 0.0366 0.1607 294 ILE G O 1379 C CB . ILE A 178 ? 0.7259 0.7623 0.4680 0.2220 0.0205 0.1543 294 ILE G CB 1380 C CG1 . ILE A 178 ? 0.6881 0.7808 0.4474 0.2185 0.0028 0.1392 294 ILE G CG1 1381 C CG2 . ILE A 178 ? 0.7074 0.7213 0.4634 0.1965 0.0371 0.1453 294 ILE G CG2 1382 C CD1 . ILE A 178 ? 0.6910 0.8047 0.4947 0.2054 0.0002 0.1225 294 ILE G CD1 1383 N N . ASN A 179 ? 0.7782 0.8355 0.4259 0.2402 0.0052 0.1726 295 ASN G N 1384 C CA . ASN A 179 ? 0.7268 0.7938 0.3406 0.2307 0.0041 0.1690 295 ASN G CA 1385 C C . ASN A 179 ? 0.7365 0.8600 0.3634 0.2212 -0.0129 0.1496 295 ASN G C 1386 O O . ASN A 179 ? 0.7925 0.9555 0.4260 0.2303 -0.0334 0.1479 295 ASN G O 1387 C CB . ASN A 179 ? 0.7631 0.8161 0.3447 0.2442 -0.0010 0.1841 295 ASN G CB 1388 C CG . ASN A 179 ? 0.9508 1.0132 0.4930 0.2336 -0.0036 0.1804 295 ASN G CG 1389 O OD1 . ASN A 179 ? 0.8811 0.9449 0.4141 0.2149 0.0068 0.1676 295 ASN G OD1 1390 N ND2 . ASN A 179 ? 1.1124 1.1804 0.6298 0.2457 -0.0162 0.1916 295 ASN G ND2 1391 N N . CYS A 180 ? 0.6677 0.7912 0.3134 0.1957 -0.0021 0.1292 296 CYS G N 1392 C CA . CYS A 180 ? 0.7292 0.8961 0.3943 0.1801 -0.0133 0.1061 296 CYS G CA 1393 C C . CYS A 180 ? 0.7241 0.8970 0.3505 0.1665 -0.0117 0.0961 296 CYS G C 1394 O O . CYS A 180 ? 0.7759 0.9135 0.3788 0.1585 0.0079 0.0978 296 CYS G O 1395 C CB . CYS A 180 ? 0.5886 0.7488 0.2993 0.1622 -0.0019 0.0900 296 CYS G CB 1396 S SG . CYS A 180 ? 0.8460 0.9934 0.5957 0.1740 -0.0012 0.1000 296 CYS G SG 1397 N N . THR A 181 ? 0.7403 0.9595 0.3605 0.1622 -0.0312 0.0841 297 THR G N 1398 C CA . THR A 181 ? 0.8184 1.0459 0.3935 0.1496 -0.0327 0.0743 297 THR G CA 1399 C C . THR A 181 ? 0.8691 1.1403 0.4556 0.1286 -0.0450 0.0473 297 THR G C 1400 O O . THR A 181 ? 0.8253 1.1419 0.4382 0.1325 -0.0653 0.0436 297 THR G O 1401 C CB . THR A 181 ? 0.8938 1.1269 0.4269 0.1679 -0.0475 0.0947 297 THR G CB 1402 O OG1 . THR A 181 ? 0.9356 1.1220 0.4613 0.1852 -0.0345 0.1190 297 THR G OG1 1403 C CG2 . THR A 181 ? 0.8711 1.1009 0.3551 0.1512 -0.0457 0.0849 297 THR G CG2 1404 N N . ARG A 182 ? 0.8742 1.1297 0.4409 0.1055 -0.0302 0.0275 298 ARG G N 1405 C CA . ARG A 182 ? 0.8849 1.1736 0.4449 0.0821 -0.0394 0.0006 298 ARG G CA 1406 C C . ARG A 182 ? 0.9048 1.1976 0.4001 0.0771 -0.0442 -0.0007 298 ARG G C 1407 O O . ARG A 182 ? 0.9771 1.2292 0.4404 0.0692 -0.0216 -0.0039 298 ARG G O 1408 C CB . ARG A 182 ? 0.8263 1.0885 0.4109 0.0587 -0.0165 -0.0232 298 ARG G CB 1409 C CG . ARG A 182 ? 0.8234 1.1175 0.4212 0.0342 -0.0251 -0.0513 298 ARG G CG 1410 C CD . ARG A 182 ? 0.9368 1.2528 0.4832 0.0166 -0.0345 -0.0681 298 ARG G CD 1411 N NE . ARG A 182 ? 1.0304 1.3036 0.5296 0.0120 -0.0130 -0.0701 298 ARG G NE 1412 C CZ . ARG A 182 ? 1.0851 1.3250 0.5733 -0.0097 0.0116 -0.0936 298 ARG G CZ 1413 N NH1 . ARG A 182 ? 1.1256 1.3658 0.6443 -0.0289 0.0173 -0.1163 298 ARG G NH1 1414 N NH2 . ARG A 182 ? 1.0909 1.2943 0.5363 -0.0117 0.0325 -0.0942 298 ARG G NH2 1415 N N . PRO A 183 ? 0.9518 1.2872 0.4378 0.0797 -0.0721 0.0018 299 PRO G N 1416 C CA . PRO A 183 ? 0.9597 1.2909 0.3951 0.0746 -0.0802 0.0043 299 PRO G CA 1417 C C . PRO A 183 ? 0.9782 1.3020 0.3803 0.0425 -0.0700 -0.0262 299 PRO G C 1418 O O . PRO A 183 ? 1.0573 1.3860 0.4811 0.0225 -0.0598 -0.0514 299 PRO G O 1419 C CB . PRO A 183 ? 0.8919 1.2758 0.3469 0.0848 -0.1132 0.0127 299 PRO G CB 1420 C CG . PRO A 183 ? 0.9295 1.3345 0.4432 0.1018 -0.1181 0.0212 299 PRO G CG 1421 C CD . PRO A 183 ? 0.8931 1.2792 0.4256 0.0876 -0.0963 0.0038 299 PRO G CD 1422 N N . SER A 184 ? 1.2362 1.5439 0.5840 0.0371 -0.0714 -0.0242 300 SER G N 1423 C CA . SER A 184 ? 1.3195 1.6174 0.6307 0.0074 -0.0629 -0.0534 300 SER G CA 1424 C C . SER A 184 ? 1.4930 1.8405 0.8015 -0.0046 -0.0940 -0.0640 300 SER G C 1425 O O . SER A 184 ? 1.5188 1.8924 0.8212 0.0124 -0.1190 -0.0429 300 SER G O 1426 C CB . SER A 184 ? 1.3389 1.5858 0.5880 0.0065 -0.0424 -0.0477 300 SER G CB 1427 O OG . SER A 184 ? 1.4208 1.6684 0.6410 0.0255 -0.0599 -0.0191 300 SER G OG 1428 N N . ASN A 185 ? 1.6035 1.9628 0.9187 -0.0341 -0.0909 -0.0965 301 ASN G N 1429 C CA . ASN A 185 ? 1.6173 2.0272 0.9363 -0.0510 -0.1177 -0.1110 301 ASN G CA 1430 C C . ASN A 185 ? 1.6044 2.0747 0.9762 -0.0338 -0.1464 -0.0947 301 ASN G C 1431 O O . ASN A 185 ? 1.5289 2.0321 0.9492 -0.0456 -0.1502 -0.1094 301 ASN G O 1432 C CB . ASN A 185 ? 1.5742 1.9780 0.8302 -0.0547 -0.1286 -0.1087 301 ASN G CB 1433 C CG . ASN A 185 ? 1.6250 1.9763 0.8306 -0.0767 -0.1005 -0.1320 301 ASN G CG 1434 O OD1 . ASN A 185 ? 1.6549 1.9843 0.8774 -0.0958 -0.0769 -0.1565 301 ASN G OD1 1435 N ND2 . ASN A 185 ? 1.6408 1.9694 0.7841 -0.0732 -0.1016 -0.1243 301 ASN G ND2 1436 N N . ASP A 193 ? 1.0745 1.6535 0.6862 -0.1161 -0.1300 -0.1825 325 ASP G N 1437 C CA . ASP A 193 ? 0.9719 1.5120 0.6028 -0.1173 -0.1065 -0.1878 325 ASP G CA 1438 C C . ASP A 193 ? 1.0130 1.5012 0.6158 -0.0930 -0.0902 -0.1703 325 ASP G C 1439 O O . ASP A 193 ? 1.0091 1.5064 0.6181 -0.0602 -0.1002 -0.1415 325 ASP G O 1440 C CB . ASP A 193 ? 1.0199 1.6002 0.7088 -0.1054 -0.1163 -0.1781 325 ASP G CB 1441 C CG . ASP A 193 ? 1.0769 1.6231 0.7866 -0.1172 -0.0938 -0.1912 325 ASP G CG 1442 O OD1 . ASP A 193 ? 1.0638 1.5444 0.7513 -0.1227 -0.0679 -0.1976 325 ASP G OD1 1443 O OD2 . ASP A 193 ? 1.1433 1.7199 0.8982 -0.1183 -0.0989 -0.1912 325 ASP G OD2 1444 N N . ILE A 194 ? 1.0277 1.4590 0.6017 -0.1090 -0.0622 -0.1875 326 ILE G N 1445 C CA . ILE A 194 ? 0.9526 1.3322 0.5041 -0.0886 -0.0416 -0.1720 326 ILE G CA 1446 C C . ILE A 194 ? 0.8863 1.2392 0.4896 -0.0655 -0.0301 -0.1512 326 ILE G C 1447 O O . ILE A 194 ? 0.9080 1.2257 0.5079 -0.0434 -0.0177 -0.1307 326 ILE G O 1448 C CB . ILE A 194 ? 0.9547 1.2760 0.4705 -0.1102 -0.0106 -0.1953 326 ILE G CB 1449 C CG1 . ILE A 194 ? 1.0076 1.2912 0.5606 -0.1251 0.0130 -0.2117 326 ILE G CG1 1450 C CG2 . ILE A 194 ? 1.0371 1.3685 0.5140 -0.1338 -0.0199 -0.2136 326 ILE G CG2 1451 C CD1 . ILE A 194 ? 1.0729 1.2948 0.5955 -0.1422 0.0466 -0.2336 326 ILE G CD1 1452 N N . ARG A 195 ? 0.8901 1.2604 0.5399 -0.0726 -0.0337 -0.1570 327 ARG G N 1453 C CA . ARG A 195 ? 0.8980 1.2432 0.5940 -0.0545 -0.0231 -0.1399 327 ARG G CA 1454 C C . ARG A 195 ? 0.8589 1.2405 0.5791 -0.0258 -0.0441 -0.1131 327 ARG G C 1455 O O . ARG A 195 ? 0.8991 1.2600 0.6509 -0.0083 -0.0370 -0.0963 327 ARG G O 1456 C CB . ARG A 195 ? 0.8717 1.2101 0.6015 -0.0761 -0.0136 -0.1581 327 ARG G CB 1457 C CG . ARG A 195 ? 0.8358 1.1252 0.5452 -0.1013 0.0124 -0.1830 327 ARG G CG 1458 C CD . ARG A 195 ? 0.9297 1.2104 0.6690 -0.1228 0.0215 -0.1992 327 ARG G CD 1459 N NE . ARG A 195 ? 1.0608 1.3976 0.8027 -0.1469 0.0021 -0.2169 327 ARG G NE 1460 C CZ . ARG A 195 ? 1.0682 1.4073 0.8327 -0.1708 0.0076 -0.2333 327 ARG G CZ 1461 N NH1 . ARG A 195 ? 1.0546 1.3393 0.8376 -0.1716 0.0312 -0.2323 327 ARG G NH1 1462 N NH2 . ARG A 195 ? 1.0384 1.4358 0.8072 -0.1942 -0.0105 -0.2498 327 ARG G NH2 1463 N N . LYS A 196 ? 0.9443 1.3794 0.6478 -0.0204 -0.0696 -0.1090 328 LYS G N 1464 C CA . LYS A 196 ? 0.9403 1.4128 0.6660 0.0086 -0.0896 -0.0844 328 LYS G CA 1465 C C . LYS A 196 ? 0.8344 1.2772 0.5349 0.0382 -0.0869 -0.0567 328 LYS G C 1466 O O . LYS A 196 ? 0.7590 1.1833 0.4128 0.0363 -0.0831 -0.0563 328 LYS G O 1467 C CB . LYS A 196 ? 1.0030 1.5515 0.7263 0.0040 -0.1192 -0.0907 328 LYS G CB 1468 C CG . LYS A 196 ? 1.0520 1.6409 0.8130 0.0329 -0.1367 -0.0682 328 LYS G CG 1469 C CD . LYS A 196 ? 1.1437 1.7923 0.9230 0.0251 -0.1570 -0.0743 328 LYS G CD 1470 C CE . LYS A 196 ? 1.1115 1.7949 0.9335 0.0540 -0.1683 -0.0540 328 LYS G CE 1471 N NZ . LYS A 196 ? 1.0758 1.8217 0.9183 0.0469 -0.1864 -0.0603 328 LYS G NZ 1472 N N . ALA A 197 ? 0.7439 1.1791 0.4728 0.0639 -0.0872 -0.0345 329 ALA G N 1473 C CA . ALA A 197 ? 0.7501 1.1522 0.4575 0.0905 -0.0824 -0.0079 329 ALA G CA 1474 C C . ALA A 197 ? 0.7733 1.1935 0.5075 0.1196 -0.0942 0.0144 329 ALA G C 1475 O O . ALA A 197 ? 0.8191 1.2824 0.5891 0.1197 -0.1065 0.0088 329 ALA G O 1476 C CB . ALA A 197 ? 0.6745 1.0130 0.3832 0.0860 -0.0543 -0.0069 329 ALA G CB 1477 N N . TYR A 198 ? 0.6751 1.0602 0.3916 0.1434 -0.0882 0.0388 330 TYR G N 1478 C CA . TYR A 198 ? 0.7033 1.0951 0.4396 0.1726 -0.0956 0.0604 330 TYR G CA 1479 C C . TYR A 198 ? 0.7933 1.1253 0.5128 0.1898 -0.0790 0.0824 330 TYR G C 1480 O O . TYR A 198 ? 0.8914 1.1888 0.5730 0.1860 -0.0679 0.0874 330 TYR G O 1481 C CB . TYR A 198 ? 0.7631 1.1952 0.4986 0.1860 -0.1162 0.0681 330 TYR G CB 1482 C CG . TYR A 198 ? 0.7995 1.2173 0.4867 0.1873 -0.1197 0.0763 330 TYR G CG 1483 C CD1 . TYR A 198 ? 0.9177 1.2917 0.5796 0.2086 -0.1125 0.1007 330 TYR G CD1 1484 C CD2 . TYR A 198 ? 0.7996 1.2447 0.4642 0.1651 -0.1293 0.0588 330 TYR G CD2 1485 C CE1 . TYR A 198 ? 0.9735 1.3328 0.5887 0.2089 -0.1154 0.1090 330 TYR G CE1 1486 C CE2 . TYR A 198 ? 0.8984 1.3289 0.5153 0.1653 -0.1327 0.0663 330 TYR G CE2 1487 C CZ . TYR A 198 ? 0.9411 1.3293 0.5332 0.1877 -0.1260 0.0922 330 TYR G CZ 1488 O OH . TYR A 198 ? 1.0346 1.4066 0.5765 0.1869 -0.1290 0.1004 330 TYR G OH 1489 N N . CYS A 199 ? 0.7040 1.0239 0.4509 0.2069 -0.0758 0.0944 331 CYS G N 1490 C CA . CYS A 199 ? 0.7046 0.9691 0.4370 0.2226 -0.0607 0.1149 331 CYS G CA 1491 C C . CYS A 199 ? 0.8350 1.0970 0.5697 0.2478 -0.0669 0.1321 331 CYS G C 1492 O O . CYS A 199 ? 0.8307 1.1297 0.5966 0.2560 -0.0781 0.1285 331 CYS G O 1493 C CB . CYS A 199 ? 0.6533 0.8871 0.4208 0.2126 -0.0443 0.1090 331 CYS G CB 1494 S SG . CYS A 199 ? 0.7780 0.9918 0.5560 0.1793 -0.0276 0.0883 331 CYS G SG 1495 N N . GLU A 200 ? 0.7979 1.0137 0.5006 0.2583 -0.0570 0.1495 332 GLU G N 1496 C CA . GLU A 200 ? 0.7154 0.9194 0.4156 0.2818 -0.0596 0.1660 332 GLU G CA 1497 C C . GLU A 200 ? 0.7979 0.9442 0.4984 0.2907 -0.0402 0.1777 332 GLU G C 1498 O O . GLU A 200 ? 0.8040 0.9053 0.4842 0.2807 -0.0238 0.1817 332 GLU G O 1499 C CB . GLU A 200 ? 0.7440 0.9424 0.4026 0.2874 -0.0657 0.1775 332 GLU G CB 1500 C CG . GLU A 200 ? 0.7738 1.0317 0.4312 0.2803 -0.0875 0.1668 332 GLU G CG 1501 C CD . GLU A 200 ? 0.8837 1.1342 0.4964 0.2858 -0.0947 0.1795 332 GLU G CD 1502 O OE1 . GLU A 200 ? 0.9854 1.1853 0.5608 0.2827 -0.0796 0.1895 332 GLU G OE1 1503 O OE2 . GLU A 200 ? 0.9065 1.2026 0.5217 0.2922 -0.1151 0.1797 332 GLU G OE2 1504 N N . ILE A 201 ? 0.7669 0.9152 0.4902 0.3078 -0.0409 0.1820 333 ILE G N 1505 C CA . ILE A 201 ? 0.7831 0.8766 0.5052 0.3154 -0.0227 0.1909 333 ILE G CA 1506 C C . ILE A 201 ? 0.9052 0.9896 0.6222 0.3414 -0.0237 0.2046 333 ILE G C 1507 O O . ILE A 201 ? 0.9983 1.1291 0.7371 0.3540 -0.0376 0.2023 333 ILE G O 1508 C CB . ILE A 201 ? 0.7823 0.8787 0.5397 0.3070 -0.0170 0.1787 333 ILE G CB 1509 C CG1 . ILE A 201 ? 0.8067 0.9094 0.5691 0.2833 -0.0152 0.1672 333 ILE G CG1 1510 C CG2 . ILE A 201 ? 0.6692 0.7081 0.4216 0.3132 0.0015 0.1864 333 ILE G CG2 1511 C CD1 . ILE A 201 ? 0.8924 1.0575 0.6794 0.2740 -0.0317 0.1512 333 ILE G CD1 1512 N N . ASN A 202 ? 0.8638 0.8886 0.5518 0.3489 -0.0080 0.2189 334 ASN G N 1513 C CA . ASN A 202 ? 0.9037 0.9086 0.5839 0.3746 -0.0047 0.2330 334 ASN G CA 1514 C C . ASN A 202 ? 0.8215 0.8259 0.5330 0.3824 0.0018 0.2264 334 ASN G C 1515 O O . ASN A 202 ? 0.9303 0.8911 0.6418 0.3728 0.0187 0.2228 334 ASN G O 1516 C CB . ASN A 202 ? 1.0314 0.9666 0.6703 0.3764 0.0134 0.2484 334 ASN G CB 1517 C CG . ASN A 202 ? 1.2682 1.1757 0.8933 0.4042 0.0186 0.2646 334 ASN G CG 1518 O OD1 . ASN A 202 ? 1.1400 1.0610 0.7888 0.4204 0.0176 0.2630 334 ASN G OD1 1519 N ND2 . ASN A 202 ? 1.6885 1.5552 1.2732 0.4099 0.0256 0.2808 334 ASN G ND2 1520 N N . GLY A 203 ? 0.8431 0.8965 0.5802 0.3987 -0.0113 0.2246 335 GLY G N 1521 C CA . GLY A 203 ? 0.8343 0.8938 0.6017 0.4064 -0.0055 0.2176 335 GLY G CA 1522 C C . GLY A 203 ? 1.0166 1.0157 0.7676 0.4235 0.0139 0.2286 335 GLY G C 1523 O O . GLY A 203 ? 1.0490 1.0350 0.8169 0.4248 0.0246 0.2215 335 GLY G O 1524 N N . THR A 204 ? 1.0529 1.0129 0.7684 0.4363 0.0194 0.2457 336 THR G N 1525 C CA . THR A 204 ? 1.1331 1.0280 0.8273 0.4510 0.0401 0.2563 336 THR G CA 1526 C C . THR A 204 ? 1.1721 1.0072 0.8522 0.4273 0.0604 0.2493 336 THR G C 1527 O O . THR A 204 ? 1.2001 0.9961 0.8809 0.4291 0.0771 0.2459 336 THR G O 1528 C CB . THR A 204 ? 1.2248 1.0921 0.8825 0.4706 0.0409 0.2776 336 THR G CB 1529 O OG1 . THR A 204 ? 1.0711 0.9990 0.7425 0.4915 0.0193 0.2846 336 THR G OG1 1530 C CG2 . THR A 204 ? 1.3199 1.1195 0.9563 0.4874 0.0635 0.2881 336 THR G CG2 1531 N N . LYS A 205 ? 1.1024 0.9315 0.7695 0.4044 0.0592 0.2467 337 LYS G N 1532 C CA . LYS A 205 ? 1.1348 0.9144 0.7916 0.3794 0.0767 0.2401 337 LYS G CA 1533 C C . LYS A 205 ? 1.1083 0.9099 0.7984 0.3645 0.0752 0.2227 337 LYS G C 1534 O O . LYS A 205 ? 1.2078 0.9670 0.8960 0.3548 0.0911 0.2173 337 LYS G O 1535 C CB . LYS A 205 ? 1.1313 0.9043 0.7679 0.3596 0.0759 0.2427 337 LYS G CB 1536 C CG . LYS A 205 ? 1.2932 1.0354 0.8907 0.3702 0.0803 0.2602 337 LYS G CG 1537 C CD . LYS A 205 ? 1.3206 1.0445 0.8966 0.3460 0.0865 0.2609 337 LYS G CD 1538 C CE . LYS A 205 ? 1.4685 1.1583 1.0025 0.3546 0.0925 0.2785 337 LYS G CE 1539 N NZ . LYS A 205 ? 1.5679 1.3060 1.0961 0.3713 0.0707 0.2862 337 LYS G NZ 1540 N N . TRP A 206 ? 0.9898 0.8567 0.7087 0.3615 0.0562 0.2137 338 TRP G N 1541 C CA . TRP A 206 ? 0.9310 0.8226 0.6809 0.3460 0.0532 0.1978 338 TRP G CA 1542 C C . TRP A 206 ? 0.9472 0.8336 0.7144 0.3574 0.0603 0.1923 338 TRP G C 1543 O O . TRP A 206 ? 0.9205 0.7818 0.6934 0.3442 0.0706 0.1835 338 TRP G O 1544 C CB . TRP A 206 ? 0.8511 0.8135 0.6259 0.3407 0.0321 0.1893 338 TRP G CB 1545 C CG . TRP A 206 ? 0.8838 0.8760 0.6920 0.3278 0.0284 0.1735 338 TRP G CG 1546 C CD1 . TRP A 206 ? 0.9143 0.9550 0.7538 0.3349 0.0192 0.1646 338 TRP G CD1 1547 C CD2 . TRP A 206 ? 0.8581 0.8334 0.6716 0.3055 0.0342 0.1656 338 TRP G CD2 1548 N NE1 . TRP A 206 ? 0.8025 0.8556 0.6647 0.3180 0.0196 0.1513 338 TRP G NE1 1549 C CE2 . TRP A 206 ? 0.7582 0.7721 0.6051 0.3010 0.0278 0.1523 338 TRP G CE2 1550 C CE3 . TRP A 206 ? 0.8560 0.7890 0.6504 0.2883 0.0447 0.1691 338 TRP G CE3 1551 C CZ2 . TRP A 206 ? 0.7948 0.8049 0.6548 0.2820 0.0303 0.1434 338 TRP G CZ2 1552 C CZ3 . TRP A 206 ? 0.8851 0.8178 0.6959 0.2672 0.0469 0.1592 338 TRP G CZ3 1553 C CH2 . TRP A 206 ? 0.8308 0.8021 0.6751 0.2606 0.0394 0.1440 338 TRP G CH2 1554 N N . ASN A 207 ? 0.9441 0.8545 0.7191 0.3819 0.0550 0.1976 339 ASN G N 1555 C CA . ASN A 207 ? 0.9925 0.9039 0.7860 0.3946 0.0622 0.1923 339 ASN G CA 1556 C C . ASN A 207 ? 1.0149 0.8507 0.7830 0.3971 0.0863 0.1955 339 ASN G C 1557 O O . ASN A 207 ? 1.0207 0.8427 0.7994 0.3953 0.0967 0.1859 339 ASN G O 1558 C CB . ASN A 207 ? 0.8948 0.8512 0.7036 0.4215 0.0514 0.1990 339 ASN G CB 1559 C CG . ASN A 207 ? 0.9289 0.9652 0.7714 0.4156 0.0297 0.1896 339 ASN G CG 1560 O OD1 . ASN A 207 ? 1.0023 1.0627 0.8677 0.3972 0.0268 0.1748 339 ASN G OD1 1561 N ND2 . ASN A 207 ? 0.9028 0.9795 0.7472 0.4304 0.0145 0.1981 339 ASN G ND2 1562 N N . LYS A 208 ? 1.0149 0.8000 0.7476 0.3996 0.0962 0.2081 340 LYS G N 1563 C CA . LYS A 208 ? 1.0480 0.7562 0.7526 0.3971 0.1207 0.2099 340 LYS G CA 1564 C C . LYS A 208 ? 1.0417 0.7208 0.7447 0.3660 0.1295 0.1971 340 LYS G C 1565 O O . LYS A 208 ? 1.0961 0.7331 0.7926 0.3601 0.1460 0.1891 340 LYS G O 1566 C CB . LYS A 208 ? 1.1218 0.7833 0.7884 0.4039 0.1298 0.2260 340 LYS G CB 1567 C CG . LYS A 208 ? 1.2863 0.8658 0.9218 0.3992 0.1568 0.2268 340 LYS G CG 1568 C CD . LYS A 208 ? 1.4231 0.9544 1.0199 0.4008 0.1670 0.2417 340 LYS G CD 1569 C CE . LYS A 208 ? 1.5475 0.9958 1.1132 0.3906 0.1953 0.2397 340 LYS G CE 1570 N NZ . LYS A 208 ? 1.6723 1.0707 1.1994 0.3894 0.2074 0.2535 340 LYS G NZ 1571 N N . VAL A 209 ? 0.9569 0.6581 0.6648 0.3460 0.1189 0.1950 341 VAL G N 1572 C CA . VAL A 209 ? 0.9750 0.6591 0.6866 0.3169 0.1237 0.1843 341 VAL G CA 1573 C C . VAL A 209 ? 0.9916 0.7067 0.7332 0.3153 0.1184 0.1704 341 VAL G C 1574 O O . VAL A 209 ? 0.9535 0.6330 0.6911 0.3004 0.1302 0.1612 341 VAL G O 1575 C CB . VAL A 209 ? 0.9088 0.6184 0.6234 0.2991 0.1125 0.1863 341 VAL G CB 1576 C CG1 . VAL A 209 ? 0.9298 0.6351 0.6563 0.2717 0.1140 0.1761 341 VAL G CG1 1577 C CG2 . VAL A 209 ? 0.9615 0.6311 0.6429 0.2957 0.1224 0.1985 341 VAL G CG2 1578 N N . LEU A 210 ? 0.9595 0.7405 0.7298 0.3291 0.1012 0.1682 342 LEU G N 1579 C CA . LEU A 210 ? 0.8409 0.6587 0.6420 0.3276 0.0960 0.1548 342 LEU G CA 1580 C C . LEU A 210 ? 0.9654 0.7496 0.7619 0.3394 0.1128 0.1500 342 LEU G C 1581 O O . LEU A 210 ? 0.8494 0.6289 0.6559 0.3304 0.1189 0.1373 342 LEU G O 1582 C CB . LEU A 210 ? 0.8642 0.7594 0.6959 0.3377 0.0757 0.1530 342 LEU G CB 1583 C CG . LEU A 210 ? 0.8497 0.7921 0.7157 0.3289 0.0682 0.1382 342 LEU G CG 1584 C CD1 . LEU A 210 ? 0.7910 0.7263 0.6583 0.3035 0.0662 0.1321 342 LEU G CD1 1585 C CD2 . LEU A 210 ? 0.9293 0.9454 0.8232 0.3358 0.0498 0.1359 342 LEU G CD2 1586 N N . LYS A 211 ? 0.9770 0.7365 0.7565 0.3601 0.1214 0.1602 343 LYS G N 1587 C CA . LYS A 211 ? 0.9734 0.6935 0.7438 0.3725 0.1404 0.1567 343 LYS G CA 1588 C C . LYS A 211 ? 0.9768 0.6230 0.7183 0.3504 0.1607 0.1490 343 LYS G C 1589 O O . LYS A 211 ? 0.9728 0.5954 0.7131 0.3466 0.1740 0.1365 343 LYS G O 1590 C CB . LYS A 211 ? 0.8999 0.6051 0.6556 0.4001 0.1456 0.1718 343 LYS G CB 1591 C CG . LYS A 211 ? 1.1810 0.8399 0.9246 0.4148 0.1676 0.1697 343 LYS G CG 1592 C CD . LYS A 211 ? 1.2583 0.9640 1.0369 0.4263 0.1650 0.1593 343 LYS G CD 1593 C CE . LYS A 211 ? 1.3629 1.0257 1.1302 0.4452 0.1874 0.1586 343 LYS G CE 1594 N NZ . LYS A 211 ? 1.3582 0.9414 1.0912 0.4249 0.2114 0.1482 343 LYS G NZ 1595 N N . GLN A 212 ? 1.0496 0.6595 0.7667 0.3336 0.1636 0.1553 344 GLN G N 1596 C CA . GLN A 212 ? 1.0566 0.5991 0.7468 0.3064 0.1814 0.1472 344 GLN G CA 1597 C C . GLN A 212 ? 0.9980 0.5543 0.7041 0.2830 0.1759 0.1327 344 GLN G C 1598 O O . GLN A 212 ? 1.0609 0.5741 0.7520 0.2611 0.1895 0.1188 344 GLN G O 1599 C CB . GLN A 212 ? 0.9561 0.4661 0.6217 0.2914 0.1849 0.1574 344 GLN G CB 1600 C CG . GLN A 212 ? 1.1147 0.5858 0.7526 0.3096 0.1979 0.1701 344 GLN G CG 1601 C CD . GLN A 212 ? 1.1531 0.5997 0.7688 0.2952 0.2008 0.1801 344 GLN G CD 1602 O OE1 . GLN A 212 ? 1.1428 0.6253 0.7712 0.2838 0.1865 0.1827 344 GLN G OE1 1603 N NE2 . GLN A 212 ? 1.1949 0.5791 0.7768 0.2952 0.2210 0.1852 344 GLN G NE2 1604 N N . VAL A 213 ? 0.8780 0.5022 0.6154 0.2812 0.1541 0.1327 345 VAL G N 1605 C CA . VAL A 213 ? 0.7571 0.4208 0.5189 0.2485 0.1428 0.1147 345 VAL G CA 1606 C C . VAL A 213 ? 0.7929 0.4632 0.5641 0.2528 0.1489 0.1004 345 VAL G C 1607 O O . VAL A 213 ? 0.8859 0.5449 0.6536 0.2239 0.1521 0.0849 345 VAL G O 1608 C CB . VAL A 213 ? 0.7181 0.4539 0.5113 0.2457 0.1197 0.1168 345 VAL G CB 1609 C CG1 . VAL A 213 ? 0.6627 0.4372 0.4809 0.2183 0.1095 0.1001 345 VAL G CG1 1610 C CG2 . VAL A 213 ? 0.7075 0.4360 0.4903 0.2347 0.1158 0.1272 345 VAL G CG2 1611 N N . THR A 214 ? 0.8074 0.4976 0.5899 0.2891 0.1509 0.1061 346 THR G N 1612 C CA . THR A 214 ? 0.8986 0.5965 0.6912 0.2971 0.1601 0.0932 346 THR G CA 1613 C C . THR A 214 ? 0.9726 0.5928 0.7296 0.2910 0.1856 0.0847 346 THR G C 1614 O O . THR A 214 ? 0.9807 0.5942 0.7348 0.2727 0.1930 0.0672 346 THR G O 1615 C CB . THR A 214 ? 0.9004 0.6416 0.7166 0.3357 0.1572 0.1015 346 THR G CB 1616 O OG1 . THR A 214 ? 1.1536 0.8620 0.9495 0.3529 0.1644 0.1152 346 THR G OG1 1617 C CG2 . THR A 214 ? 0.8167 0.6356 0.6662 0.3380 0.1322 0.1067 346 THR G CG2 1618 N N . GLU A 215 ? 0.9709 0.5321 0.6979 0.3034 0.1993 0.0965 347 GLU G N 1619 C CA . GLU A 215 ? 1.0241 0.5088 0.7143 0.2927 0.2242 0.0877 347 GLU G CA 1620 C C . GLU A 215 ? 1.0361 0.4887 0.7073 0.2470 0.2266 0.0717 347 GLU G C 1621 O O . GLU A 215 ? 1.0890 0.5048 0.7404 0.2295 0.2414 0.0540 347 GLU G O 1622 C CB . GLU A 215 ? 1.0594 0.5039 0.7253 0.3039 0.2335 0.1034 347 GLU G CB 1623 C CG . GLU A 215 ? 1.2852 0.7634 0.9675 0.3423 0.2303 0.1172 347 GLU G CG 1624 C CD . GLU A 215 ? 1.5689 1.0539 1.2627 0.3575 0.2415 0.1068 347 GLU G CD 1625 O OE1 . GLU A 215 ? 1.6709 1.0967 1.3377 0.3453 0.2637 0.0940 347 GLU G OE1 1626 O OE2 . GLU A 215 ? 1.6364 1.1871 1.3661 0.3793 0.2286 0.1101 347 GLU G OE2 1627 N N . LYS A 216 ? 0.9444 0.4212 0.6241 0.2232 0.2095 0.0769 348 LYS G N 1628 C CA . LYS A 216 ? 1.0691 0.5393 0.7419 0.1758 0.2048 0.0630 348 LYS G CA 1629 C C . LYS A 216 ? 1.0503 0.5666 0.7427 0.1581 0.1931 0.0465 348 LYS G C 1630 O O . LYS A 216 ? 0.9826 0.4751 0.6571 0.1273 0.1982 0.0303 348 LYS G O 1631 C CB . LYS A 216 ? 1.0851 0.5826 0.7710 0.1597 0.1890 0.0735 348 LYS G CB 1632 C CG . LYS A 216 ? 1.1814 0.6859 0.8694 0.1132 0.1812 0.0611 348 LYS G CG 1633 C CD . LYS A 216 ? 1.4774 0.9095 1.1273 0.0879 0.2018 0.0507 348 LYS G CD 1634 C CE . LYS A 216 ? 1.6840 1.1347 1.3402 0.0409 0.1907 0.0373 348 LYS G CE 1635 N NZ . LYS A 216 ? 1.8850 1.2687 1.5042 0.0106 0.2098 0.0253 348 LYS G NZ 1636 N N . LEU A 217 ? 1.0103 0.5915 0.7368 0.1765 0.1778 0.0509 349 LEU G N 1637 C CA . LEU A 217 ? 0.9544 0.5788 0.6986 0.1624 0.1681 0.0377 349 LEU G CA 1638 C C . LEU A 217 ? 0.8299 0.4216 0.5547 0.1684 0.1882 0.0237 349 LEU G C 1639 O O . LEU A 217 ? 0.8416 0.4396 0.5605 0.1442 0.1869 0.0090 349 LEU G O 1640 C CB . LEU A 217 ? 0.8080 0.5042 0.5914 0.1811 0.1508 0.0452 349 LEU G CB 1641 C CG . LEU A 217 ? 0.8128 0.5507 0.6173 0.1647 0.1292 0.0520 349 LEU G CG 1642 C CD1 . LEU A 217 ? 0.7043 0.5046 0.5421 0.1848 0.1154 0.0585 349 LEU G CD1 1643 C CD2 . LEU A 217 ? 0.7459 0.4939 0.5511 0.1277 0.1199 0.0410 349 LEU G CD2 1644 N N . LYS A 218 ? 1.0108 0.5666 0.7240 0.2020 0.2076 0.0291 350 LYS G N 1645 C CA . LYS A 218 ? 1.0457 0.5621 0.7382 0.2117 0.2319 0.0158 350 LYS G CA 1646 C C . LYS A 218 ? 1.0767 0.5307 0.7270 0.1742 0.2448 -0.0014 350 LYS G C 1647 O O . LYS A 218 ? 1.0775 0.5161 0.7110 0.1630 0.2569 -0.0190 350 LYS G O 1648 C CB . LYS A 218 ? 1.1305 0.6119 0.8167 0.2571 0.2516 0.0278 350 LYS G CB 1649 C CG . LYS A 218 ? 1.1769 0.7071 0.8954 0.2940 0.2541 0.0301 350 LYS G CG 1650 C CD . LYS A 218 ? 1.2399 0.7663 0.9640 0.3258 0.2579 0.0480 350 LYS G CD 1651 C CE . LYS A 218 ? 1.3346 0.9149 1.0938 0.3531 0.2582 0.0485 350 LYS G CE 1652 N NZ . LYS A 218 ? 1.4710 1.0212 1.2162 0.3465 0.2812 0.0295 350 LYS G NZ 1653 N N . GLU A 219 ? 1.0362 0.4562 0.6685 0.1530 0.2426 0.0028 351 GLU G N 1654 C CA . GLU A 219 ? 1.1600 0.5246 0.7536 0.1130 0.2529 -0.0138 351 GLU G CA 1655 C C . GLU A 219 ? 1.1106 0.5179 0.7107 0.0741 0.2333 -0.0272 351 GLU G C 1656 O O . GLU A 219 ? 1.1280 0.5007 0.6958 0.0425 0.2410 -0.0454 351 GLU G O 1657 C CB . GLU A 219 ? 1.2846 0.6114 0.8635 0.0982 0.2546 -0.0049 351 GLU G CB 1658 C CG . GLU A 219 ? 1.4016 0.6766 0.9660 0.1353 0.2747 0.0109 351 GLU G CG 1659 C CD . GLU A 219 ? 1.5236 0.7645 1.0734 0.1187 0.2766 0.0212 351 GLU G CD 1660 O OE1 . GLU A 219 ? 1.4633 0.7147 1.0127 0.0756 0.2658 0.0124 351 GLU G OE1 1661 O OE2 . GLU A 219 ? 1.6648 0.8732 1.2050 0.1486 0.2883 0.0388 351 GLU G OE2 1662 N N . HIS A 220 ? 1.0587 0.5395 0.6982 0.0766 0.2082 -0.0179 352 HIS G N 1663 C CA . HIS A 220 ? 0.9572 0.4809 0.6051 0.0440 0.1878 -0.0260 352 HIS G CA 1664 C C . HIS A 220 ? 0.9815 0.5332 0.6341 0.0511 0.1888 -0.0346 352 HIS G C 1665 O O . HIS A 220 ? 0.9480 0.5177 0.5928 0.0234 0.1780 -0.0439 352 HIS G O 1666 C CB . HIS A 220 ? 0.8680 0.4498 0.5534 0.0400 0.1618 -0.0114 352 HIS G CB 1667 C CG . HIS A 220 ? 0.9614 0.5248 0.6421 0.0193 0.1582 -0.0066 352 HIS G CG 1668 N ND1 . HIS A 220 ? 0.9855 0.5503 0.6572 -0.0205 0.1483 -0.0153 352 HIS G ND1 1669 C CD2 . HIS A 220 ? 1.0525 0.5981 0.7363 0.0322 0.1635 0.0062 352 HIS G CD2 1670 C CE1 . HIS A 220 ? 1.1241 0.6749 0.7973 -0.0321 0.1488 -0.0091 352 HIS G CE1 1671 N NE2 . HIS A 220 ? 1.1172 0.6533 0.7955 -0.0010 0.1589 0.0041 352 HIS G NE2 1672 N N . PHE A 221 ? 0.9590 0.5162 0.6244 0.0880 0.2018 -0.0308 353 PHE G N 1673 C CA . PHE A 221 ? 0.8402 0.4289 0.5148 0.0957 0.2051 -0.0385 353 PHE G CA 1674 C C . PHE A 221 ? 1.0227 0.5689 0.6767 0.1183 0.2358 -0.0490 353 PHE G C 1675 O O . PHE A 221 ? 1.0992 0.6758 0.7783 0.1489 0.2431 -0.0459 353 PHE G O 1676 C CB . PHE A 221 ? 0.8282 0.4866 0.5502 0.1174 0.1889 -0.0250 353 PHE G CB 1677 C CG . PHE A 221 ? 0.7910 0.4933 0.5329 0.0950 0.1614 -0.0175 353 PHE G CG 1678 C CD1 . PHE A 221 ? 0.7364 0.4664 0.4783 0.0713 0.1502 -0.0237 353 PHE G CD1 1679 C CD2 . PHE A 221 ? 0.7979 0.5112 0.5567 0.0989 0.1483 -0.0036 353 PHE G CD2 1680 C CE1 . PHE A 221 ? 0.7122 0.4794 0.4729 0.0542 0.1265 -0.0155 353 PHE G CE1 1681 C CE2 . PHE A 221 ? 0.7708 0.5227 0.5492 0.0806 0.1258 0.0026 353 PHE G CE2 1682 C CZ . PHE A 221 ? 0.7073 0.4858 0.4878 0.0594 0.1149 -0.0030 353 PHE G CZ 1683 N N . ASN A 222 ? 1.1975 0.6742 0.8068 0.1023 0.2545 -0.0621 354 ASN G N 1684 C CA . ASN A 222 ? 1.2703 0.6962 0.8511 0.1171 0.2870 -0.0766 354 ASN G CA 1685 C C . ASN A 222 ? 1.2585 0.6869 0.8636 0.1691 0.3044 -0.0660 354 ASN G C 1686 O O . ASN A 222 ? 1.1989 0.6303 0.8064 0.1884 0.3239 -0.0749 354 ASN G O 1687 C CB . ASN A 222 ? 1.3383 0.7836 0.9074 0.0986 0.2901 -0.0932 354 ASN G CB 1688 C CG . ASN A 222 ? 1.3955 0.8136 0.9219 0.0493 0.2829 -0.1086 354 ASN G CG 1689 O OD1 . ASN A 222 ? 1.4632 0.8189 0.9427 0.0346 0.3053 -0.1272 354 ASN G OD1 1690 N ND2 . ASN A 222 ? 1.2705 0.7359 0.8124 0.0237 0.2518 -0.1012 354 ASN G ND2 1691 N N . ASN A 223 ? 1.2356 0.6653 0.8586 0.1919 0.2972 -0.0467 355 ASN G N 1692 C CA . ASN A 223 ? 1.2812 0.7180 0.9281 0.2409 0.3077 -0.0317 355 ASN G CA 1693 C C . ASN A 223 ? 1.2014 0.7188 0.8969 0.2659 0.2991 -0.0271 355 ASN G C 1694 O O . ASN A 223 ? 1.3039 0.8423 1.0243 0.2967 0.3041 -0.0180 355 ASN G O 1695 C CB . ASN A 223 ? 1.2706 0.6502 0.8920 0.2473 0.3325 -0.0364 355 ASN G CB 1696 C CG . ASN A 223 ? 1.3397 0.6480 0.9241 0.2344 0.3407 -0.0320 355 ASN G CG 1697 O OD1 . ASN A 223 ? 1.4122 0.7205 0.9989 0.2311 0.3271 -0.0194 355 ASN G OD1 1698 N ND2 . ASN A 223 ? 1.3829 0.6305 0.9329 0.2258 0.3641 -0.0423 355 ASN G ND2 1699 N N . LYS A 224 ? 1.0571 0.6302 0.7713 0.2443 0.2799 -0.0312 357 LYS G N 1700 C CA . LYS A 224 ? 0.9732 0.6254 0.7345 0.2627 0.2706 -0.0270 357 LYS G CA 1701 C C . LYS A 224 ? 0.9892 0.6828 0.7870 0.2954 0.2554 -0.0057 357 LYS G C 1702 O O . LYS A 224 ? 0.9514 0.6233 0.7391 0.2936 0.2444 0.0067 357 LYS G O 1703 C CB . LYS A 224 ? 0.9272 0.6269 0.6986 0.2261 0.2494 -0.0329 357 LYS G CB 1704 C CG . LYS A 224 ? 1.0623 0.7420 0.8043 0.1982 0.2624 -0.0527 357 LYS G CG 1705 C CD . LYS A 224 ? 1.0388 0.7704 0.7946 0.1687 0.2401 -0.0534 357 LYS G CD 1706 C CE . LYS A 224 ? 1.1477 0.8643 0.8724 0.1420 0.2517 -0.0707 357 LYS G CE 1707 N NZ . LYS A 224 ? 0.9967 0.7606 0.7334 0.1163 0.2301 -0.0679 357 LYS G NZ 1708 N N . THR A 225 ? 0.9368 0.6950 0.7776 0.3193 0.2515 -0.0013 358 THR G N 1709 C CA . THR A 225 ? 0.9768 0.7895 0.8541 0.3407 0.2294 0.0176 358 THR G CA 1710 C C . THR A 225 ? 0.8421 0.6888 0.7287 0.3204 0.2061 0.0215 358 THR G C 1711 O O . THR A 225 ? 0.7281 0.6059 0.6232 0.2918 0.1981 0.0110 358 THR G O 1712 C CB . THR A 225 ? 1.0181 0.9019 0.9424 0.3601 0.2260 0.0182 358 THR G CB 1713 O OG1 . THR A 225 ? 1.0614 0.9159 0.9800 0.3775 0.2467 0.0147 358 THR G OG1 1714 C CG2 . THR A 225 ? 0.9626 0.9005 0.9183 0.3778 0.2015 0.0362 358 THR G CG2 1715 N N . ILE A 226 ? 0.7083 0.5492 0.5920 0.3272 0.1916 0.0372 359 ILE G N 1716 C CA . ILE A 226 ? 0.8022 0.6759 0.6956 0.3014 0.1661 0.0415 359 ILE G CA 1717 C C . ILE A 226 ? 0.8119 0.7600 0.7453 0.3201 0.1478 0.0510 359 ILE G C 1718 O O . ILE A 226 ? 0.7993 0.7563 0.7394 0.3473 0.1438 0.0646 359 ILE G O 1719 C CB . ILE A 226 ? 0.7569 0.5796 0.6204 0.2905 0.1618 0.0509 359 ILE G CB 1720 C CG1 . ILE A 226 ? 0.8409 0.5892 0.6638 0.2711 0.1806 0.0404 359 ILE G CG1 1721 C CG2 . ILE A 226 ? 0.6435 0.4990 0.5179 0.2625 0.1387 0.0529 359 ILE G CG2 1722 C CD1 . ILE A 226 ? 0.7523 0.5056 0.5692 0.2350 0.1795 0.0229 359 ILE G CD1 1723 N N . ILE A 227 ? 0.6919 0.6926 0.6490 0.2978 0.1343 0.0433 360 ILE G N 1724 C CA . ILE A 227 ? 0.6738 0.7482 0.6689 0.3086 0.1179 0.0477 360 ILE G CA 1725 C C . ILE A 227 ? 0.6754 0.7706 0.6737 0.2811 0.0971 0.0488 360 ILE G C 1726 O O . ILE A 227 ? 0.6059 0.6861 0.5941 0.2498 0.0956 0.0408 360 ILE G O 1727 C CB . ILE A 227 ? 0.7009 0.8263 0.7271 0.3092 0.1252 0.0354 360 ILE G CB 1728 C CG1 . ILE A 227 ? 0.7739 0.8799 0.7993 0.3337 0.1458 0.0334 360 ILE G CG1 1729 C CG2 . ILE A 227 ? 0.6058 0.8091 0.6712 0.3124 0.1068 0.0375 360 ILE G CG2 1730 C CD1 . ILE A 227 ? 0.7223 0.8696 0.7745 0.3292 0.1569 0.0194 360 ILE G CD1 1731 N N . PHE A 228 ? 0.5505 0.6795 0.5615 0.2939 0.0814 0.0592 361 PHE G N 1732 C CA . PHE A 228 ? 0.4801 0.6322 0.4960 0.2703 0.0637 0.0588 361 PHE G CA 1733 C C . PHE A 228 ? 0.4949 0.7187 0.5461 0.2661 0.0534 0.0514 361 PHE G C 1734 O O . PHE A 228 ? 0.4965 0.7633 0.5709 0.2891 0.0530 0.0527 361 PHE G O 1735 C CB . PHE A 228 ? 0.5526 0.6896 0.5520 0.2810 0.0540 0.0734 361 PHE G CB 1736 C CG . PHE A 228 ? 0.6035 0.6707 0.5683 0.2746 0.0633 0.0791 361 PHE G CG 1737 C CD1 . PHE A 228 ? 0.5186 0.5639 0.4728 0.2434 0.0604 0.0745 361 PHE G CD1 1738 C CD2 . PHE A 228 ? 0.6752 0.6992 0.6190 0.2998 0.0756 0.0892 361 PHE G CD2 1739 C CE1 . PHE A 228 ? 0.5523 0.5400 0.4784 0.2345 0.0686 0.0786 361 PHE G CE1 1740 C CE2 . PHE A 228 ? 0.7161 0.6745 0.6273 0.2898 0.0857 0.0929 361 PHE G CE2 1741 C CZ . PHE A 228 ? 0.6902 0.6335 0.5938 0.2557 0.0817 0.0869 361 PHE G CZ 1742 N N . GLN A 229 ? 0.4388 0.6750 0.4946 0.2359 0.0457 0.0436 362 GLN G N 1743 C CA . GLN A 229 ? 0.5060 0.8035 0.5912 0.2252 0.0369 0.0350 362 GLN G CA 1744 C C . GLN A 229 ? 0.3153 0.6138 0.3945 0.2031 0.0240 0.0344 362 GLN G C 1745 O O . GLN A 229 ? 0.4072 0.6607 0.4641 0.1920 0.0245 0.0385 362 GLN G O 1746 C CB . GLN A 229 ? 0.4986 0.8072 0.5966 0.2083 0.0486 0.0220 362 GLN G CB 1747 C CG . GLN A 229 ? 0.4706 0.7972 0.5842 0.2305 0.0625 0.0193 362 GLN G CG 1748 C CD . GLN A 229 ? 0.5983 0.9956 0.7478 0.2498 0.0545 0.0196 362 GLN G CD 1749 O OE1 . GLN A 229 ? 0.6116 1.0573 0.7878 0.2342 0.0537 0.0087 362 GLN G OE1 1750 N NE2 . GLN A 229 ? 0.6510 1.0388 0.7924 0.2721 0.0465 0.0317 362 GLN G NE2 1751 N N . PRO A 230 ? 0.3506 0.7014 0.4505 0.1962 0.0135 0.0284 363 PRO G N 1752 C CA . PRO A 230 ? 0.3470 0.6953 0.4403 0.1733 0.0048 0.0249 363 PRO G CA 1753 C C . PRO A 230 ? 0.3760 0.6971 0.4650 0.1460 0.0124 0.0178 363 PRO G C 1754 O O . PRO A 230 ? 0.4019 0.7186 0.4956 0.1423 0.0227 0.0135 363 PRO G O 1755 C CB . PRO A 230 ? 0.4004 0.8128 0.5173 0.1699 -0.0055 0.0165 363 PRO G CB 1756 C CG . PRO A 230 ? 0.4911 0.9412 0.6253 0.1989 -0.0070 0.0213 363 PRO G CG 1757 C CD . PRO A 230 ? 0.3635 0.7792 0.4939 0.2090 0.0092 0.0239 363 PRO G CD 1758 N N . PRO A 231 ? 0.3115 0.6136 0.3904 0.1286 0.0082 0.0174 364 PRO G N 1759 C CA . PRO A 231 ? 0.2763 0.5545 0.3516 0.1052 0.0139 0.0131 364 PRO G CA 1760 C C . PRO A 231 ? 0.3055 0.6129 0.3981 0.0904 0.0195 0.0018 364 PRO G C 1761 O O . PRO A 231 ? 0.3503 0.7030 0.4611 0.0903 0.0159 -0.0059 364 PRO G O 1762 C CB . PRO A 231 ? 0.2936 0.5607 0.3621 0.0942 0.0082 0.0136 364 PRO G CB 1763 C CG . PRO A 231 ? 0.2895 0.5527 0.3473 0.1125 0.0022 0.0221 364 PRO G CG 1764 C CD . PRO A 231 ? 0.2935 0.5909 0.3610 0.1321 -0.0006 0.0226 364 PRO G CD 1765 N N . SER A 232 ? 0.3583 0.6414 0.4441 0.0770 0.0282 0.0009 365 SER G N 1766 C CA . SER A 232 ? 0.3662 0.6703 0.4640 0.0612 0.0369 -0.0089 365 SER G CA 1767 C C . SER A 232 ? 0.2612 0.5685 0.3622 0.0384 0.0361 -0.0153 365 SER G C 1768 O O . SER A 232 ? 0.3467 0.6814 0.4617 0.0236 0.0423 -0.0256 365 SER G O 1769 C CB . SER A 232 ? 0.3140 0.5868 0.3966 0.0551 0.0473 -0.0064 365 SER G CB 1770 O OG . SER A 232 ? 0.4245 0.7013 0.5075 0.0729 0.0534 -0.0060 365 SER G OG 1771 N N . GLY A 233 ? 0.2673 0.5454 0.3557 0.0351 0.0306 -0.0098 366 GLY G N 1772 C CA . GLY A 233 ? 0.2500 0.5223 0.3383 0.0159 0.0321 -0.0157 366 GLY G CA 1773 C C . GLY A 233 ? 0.3164 0.5498 0.3906 0.0168 0.0289 -0.0070 366 GLY G C 1774 O O . GLY A 233 ? 0.3261 0.5418 0.3924 0.0306 0.0244 0.0032 366 GLY G O 1775 N N . GLY A 234 ? 0.3038 0.5234 0.3756 0.0016 0.0330 -0.0115 367 GLY G N 1776 C CA . GLY A 234 ? 0.3350 0.5206 0.3976 0.0037 0.0322 -0.0039 367 GLY G CA 1777 C C . GLY A 234 ? 0.3239 0.5164 0.3870 -0.0003 0.0319 -0.0132 367 GLY G C 1778 O O . GLY A 234 ? 0.2952 0.5209 0.3643 -0.0064 0.0299 -0.0256 367 GLY G O 1779 N N . ASP A 235 ? 0.3421 0.5055 0.3989 0.0027 0.0339 -0.0078 368 ASP G N 1780 C CA . ASP A 235 ? 0.3429 0.5062 0.3953 -0.0012 0.0362 -0.0172 368 ASP G CA 1781 C C . ASP A 235 ? 0.4492 0.6390 0.4993 0.0116 0.0267 -0.0179 368 ASP G C 1782 O O . ASP A 235 ? 0.3727 0.5692 0.4243 0.0263 0.0202 -0.0078 368 ASP G O 1783 C CB . ASP A 235 ? 0.3196 0.4441 0.3679 0.0018 0.0435 -0.0102 368 ASP G CB 1784 C CG . ASP A 235 ? 0.4743 0.5685 0.5218 -0.0081 0.0530 -0.0070 368 ASP G CG 1785 O OD1 . ASP A 235 ? 0.4460 0.5457 0.4922 -0.0236 0.0575 -0.0157 368 ASP G OD1 1786 O OD2 . ASP A 235 ? 0.4735 0.5393 0.5220 0.0000 0.0563 0.0050 368 ASP G OD2 1787 N N . LEU A 236 ? 0.4003 0.6019 0.4433 0.0052 0.0266 -0.0298 369 LEU G N 1788 C CA . LEU A 236 ? 0.4034 0.6311 0.4392 0.0168 0.0169 -0.0299 369 LEU G CA 1789 C C . LEU A 236 ? 0.3392 0.5464 0.3682 0.0347 0.0161 -0.0148 369 LEU G C 1790 O O . LEU A 236 ? 0.3621 0.5848 0.3856 0.0488 0.0083 -0.0084 369 LEU G O 1791 C CB . LEU A 236 ? 0.3818 0.6198 0.4049 0.0041 0.0178 -0.0456 369 LEU G CB 1792 C CG . LEU A 236 ? 0.4980 0.7737 0.5262 -0.0142 0.0138 -0.0630 369 LEU G CG 1793 C CD1 . LEU A 236 ? 0.4729 0.7610 0.4823 -0.0247 0.0114 -0.0777 369 LEU G CD1 1794 C CD2 . LEU A 236 ? 0.3944 0.7157 0.4381 -0.0037 0.0016 -0.0586 369 LEU G CD2 1795 N N . GLU A 237 ? 0.3802 0.5532 0.4106 0.0343 0.0247 -0.0087 370 GLU G N 1796 C CA . GLU A 237 ? 0.3409 0.4970 0.3686 0.0474 0.0258 0.0040 370 GLU G CA 1797 C C . GLU A 237 ? 0.5154 0.6746 0.5469 0.0587 0.0190 0.0163 370 GLU G C 1798 O O . GLU A 237 ? 0.4234 0.5753 0.4488 0.0689 0.0185 0.0252 370 GLU G O 1799 C CB . GLU A 237 ? 0.3713 0.4974 0.4063 0.0451 0.0359 0.0083 370 GLU G CB 1800 C CG . GLU A 237 ? 0.4776 0.5908 0.5049 0.0388 0.0469 -0.0023 370 GLU G CG 1801 C CD . GLU A 237 ? 0.5074 0.6192 0.5317 0.0226 0.0515 -0.0172 370 GLU G CD 1802 O OE1 . GLU A 237 ? 0.4490 0.5661 0.4809 0.0164 0.0480 -0.0167 370 GLU G OE1 1803 O OE2 . GLU A 237 ? 0.4197 0.5230 0.4320 0.0143 0.0601 -0.0302 370 GLU G OE2 1804 N N . ILE A 238 ? 0.3792 0.5464 0.4185 0.0556 0.0161 0.0160 371 ILE G N 1805 C CA . ILE A 238 ? 0.3202 0.4864 0.3598 0.0653 0.0120 0.0252 371 ILE G CA 1806 C C . ILE A 238 ? 0.3694 0.5639 0.4094 0.0724 0.0068 0.0215 371 ILE G C 1807 O O . ILE A 238 ? 0.3410 0.5330 0.3764 0.0854 0.0048 0.0288 371 ILE G O 1808 C CB . ILE A 238 ? 0.3908 0.5403 0.4366 0.0587 0.0140 0.0301 371 ILE G CB 1809 C CG1 . ILE A 238 ? 0.3651 0.5248 0.4160 0.0471 0.0163 0.0217 371 ILE G CG1 1810 C CG2 . ILE A 238 ? 0.3725 0.4993 0.4221 0.0556 0.0173 0.0368 371 ILE G CG2 1811 C CD1 . ILE A 238 ? 0.3699 0.5122 0.4205 0.0409 0.0180 0.0279 371 ILE G CD1 1812 N N . THR A 239 ? 0.3414 0.5630 0.3879 0.0643 0.0054 0.0099 372 THR G N 1813 C CA . THR A 239 ? 0.2917 0.5494 0.3447 0.0725 -0.0001 0.0065 372 THR G CA 1814 C C . THR A 239 ? 0.4041 0.6796 0.4473 0.0866 -0.0080 0.0092 372 THR G C 1815 O O . THR A 239 ? 0.3821 0.6873 0.4296 0.1002 -0.0143 0.0107 372 THR G O 1816 C CB . THR A 239 ? 0.2790 0.5670 0.3457 0.0563 0.0009 -0.0076 372 THR G CB 1817 O OG1 . THR A 239 ? 0.3444 0.6395 0.4062 0.0435 -0.0001 -0.0179 372 THR G OG1 1818 C CG2 . THR A 239 ? 0.3100 0.5769 0.3815 0.0423 0.0099 -0.0086 372 THR G CG2 1819 N N . MET A 240 ? 0.3493 0.6068 0.3784 0.0843 -0.0069 0.0106 373 MET G N 1820 C CA . MET A 240 ? 0.3918 0.6580 0.4042 0.0972 -0.0130 0.0155 373 MET G CA 1821 C C . MET A 240 ? 0.3868 0.6141 0.3846 0.1037 -0.0067 0.0272 373 MET G C 1822 O O . MET A 240 ? 0.3976 0.5979 0.4011 0.0951 0.0011 0.0285 373 MET G O 1823 C CB . MET A 240 ? 0.5199 0.8087 0.5251 0.0849 -0.0168 0.0024 373 MET G CB 1824 C CG . MET A 240 ? 0.6194 0.9525 0.6408 0.0747 -0.0233 -0.0110 373 MET G CG 1825 S SD . MET A 240 ? 0.7496 1.1079 0.7592 0.0544 -0.0277 -0.0298 373 MET G SD 1826 C CE . MET A 240 ? 0.9951 1.3741 0.9803 0.0752 -0.0413 -0.0196 373 MET G CE 1827 N N . HIS A 241 ? 0.4590 0.6849 0.4384 0.1188 -0.0099 0.0365 374 HIS G N 1828 C CA . HIS A 241 ? 0.4177 0.6089 0.3812 0.1222 -0.0021 0.0466 374 HIS G CA 1829 C C . HIS A 241 ? 0.4311 0.6157 0.3881 0.1088 0.0039 0.0386 374 HIS G C 1830 O O . HIS A 241 ? 0.5181 0.7174 0.4580 0.1083 0.0004 0.0336 374 HIS G O 1831 C CB . HIS A 241 ? 0.5186 0.7067 0.4592 0.1416 -0.0055 0.0595 374 HIS G CB 1832 C CG . HIS A 241 ? 0.4323 0.5850 0.3538 0.1426 0.0045 0.0694 374 HIS G CG 1833 N ND1 . HIS A 241 ? 0.4414 0.5654 0.3728 0.1336 0.0148 0.0720 374 HIS G ND1 1834 C CD2 . HIS A 241 ? 0.4953 0.6385 0.3882 0.1506 0.0062 0.0777 374 HIS G CD2 1835 C CE1 . HIS A 241 ? 0.4474 0.5477 0.3606 0.1348 0.0236 0.0802 374 HIS G CE1 1836 N NE2 . HIS A 241 ? 0.5200 0.6285 0.4076 0.1451 0.0196 0.0842 374 HIS G NE2 1837 N N . HIS A 242 ? 0.3983 0.5613 0.3684 0.0986 0.0132 0.0374 375 HIS G N 1838 C CA . HIS A 242 ? 0.4255 0.5793 0.3941 0.0876 0.0221 0.0293 375 HIS G CA 1839 C C . HIS A 242 ? 0.5080 0.6377 0.4696 0.0907 0.0329 0.0381 375 HIS G C 1840 O O . HIS A 242 ? 0.4737 0.5891 0.4454 0.0935 0.0355 0.0482 375 HIS G O 1841 C CB . HIS A 242 ? 0.4784 0.6269 0.4690 0.0759 0.0260 0.0223 375 HIS G CB 1842 C CG . HIS A 242 ? 0.5073 0.6409 0.4985 0.0674 0.0379 0.0146 375 HIS G CG 1843 N ND1 . HIS A 242 ? 0.5195 0.6576 0.4924 0.0613 0.0415 0.0025 375 HIS G ND1 1844 C CD2 . HIS A 242 ? 0.4340 0.5480 0.4415 0.0649 0.0476 0.0173 375 HIS G CD2 1845 C CE1 . HIS A 242 ? 0.5822 0.6997 0.5593 0.0556 0.0554 -0.0030 375 HIS G CE1 1846 N NE2 . HIS A 242 ? 0.4383 0.5423 0.4383 0.0592 0.0591 0.0068 375 HIS G NE2 1847 N N . PHE A 243 ? 0.4833 0.6096 0.4267 0.0884 0.0400 0.0333 376 PHE G N 1848 C CA . PHE A 243 ? 0.5084 0.6145 0.4444 0.0901 0.0531 0.0407 376 PHE G CA 1849 C C . PHE A 243 ? 0.5066 0.6089 0.4244 0.0842 0.0639 0.0303 376 PHE G C 1850 O O . PHE A 243 ? 0.5164 0.6319 0.4199 0.0789 0.0589 0.0180 376 PHE G O 1851 C CB . PHE A 243 ? 0.4196 0.5183 0.3353 0.1010 0.0505 0.0548 376 PHE G CB 1852 C CG . PHE A 243 ? 0.4793 0.5910 0.3630 0.1086 0.0418 0.0549 376 PHE G CG 1853 C CD1 . PHE A 243 ? 0.4923 0.6277 0.3771 0.1155 0.0258 0.0539 376 PHE G CD1 1854 C CD2 . PHE A 243 ? 0.5112 0.6142 0.3636 0.1092 0.0494 0.0565 376 PHE G CD2 1855 C CE1 . PHE A 243 ? 0.5735 0.7280 0.4317 0.1241 0.0153 0.0554 376 PHE G CE1 1856 C CE2 . PHE A 243 ? 0.5877 0.7052 0.4074 0.1167 0.0389 0.0582 376 PHE G CE2 1857 C CZ . PHE A 243 ? 0.6188 0.7642 0.4428 0.1248 0.0206 0.0581 376 PHE G CZ 1858 N N . ASN A 244 ? 0.4912 0.5765 0.4093 0.0837 0.0800 0.0342 377 ASN G N 1859 C CA . ASN A 244 ? 0.5113 0.5889 0.4102 0.0785 0.0945 0.0240 377 ASN G CA 1860 C C . ASN A 244 ? 0.6304 0.6999 0.4940 0.0826 0.1004 0.0318 377 ASN G C 1861 O O . ASN A 244 ? 0.6162 0.6746 0.4836 0.0866 0.1068 0.0452 377 ASN G O 1862 C CB . ASN A 244 ? 0.4936 0.5590 0.4211 0.0755 0.1124 0.0211 377 ASN G CB 1863 C CG . ASN A 244 ? 0.6806 0.7352 0.5902 0.0701 0.1301 0.0067 377 ASN G CG 1864 O OD1 . ASN A 244 ? 0.7178 0.7643 0.6039 0.0703 0.1427 0.0079 377 ASN G OD1 1865 N ND2 . ASN A 244 ? 0.6558 0.7064 0.5735 0.0643 0.1332 -0.0073 377 ASN G ND2 1866 N N . CYS A 245 ? 0.6184 0.6929 0.4452 0.0799 0.0982 0.0233 378 CYS G N 1867 C CA . CYS A 245 ? 0.6743 0.7392 0.4598 0.0835 0.1042 0.0308 378 CYS G CA 1868 C C . CYS A 245 ? 0.6863 0.7425 0.4462 0.0737 0.1209 0.0157 378 CYS G C 1869 O O . CYS A 245 ? 0.7002 0.7672 0.4456 0.0657 0.1148 -0.0007 378 CYS G O 1870 C CB . CYS A 245 ? 0.5406 0.6217 0.2964 0.0924 0.0827 0.0385 378 CYS G CB 1871 S SG . CYS A 245 ? 0.8244 0.8904 0.5215 0.0997 0.0876 0.0525 378 CYS G SG 1872 N N . ARG A 246 ? 0.7436 0.7799 0.4981 0.0729 0.1435 0.0199 379 ARG G N 1873 C CA . ARG A 246 ? 0.8730 0.8964 0.6016 0.0645 0.1648 0.0060 379 ARG G CA 1874 C C . ARG A 246 ? 0.8088 0.8315 0.5587 0.0565 0.1723 -0.0149 379 ARG G C 1875 O O . ARG A 246 ? 0.8217 0.8373 0.5404 0.0472 0.1813 -0.0324 379 ARG G O 1876 C CB . ARG A 246 ? 0.9912 1.0169 0.6586 0.0623 0.1570 0.0038 379 ARG G CB 1877 C CG . ARG A 246 ? 1.0723 1.0961 0.7131 0.0733 0.1465 0.0265 379 ARG G CG 1878 C CD . ARG A 246 ? 1.1334 1.1331 0.7785 0.0751 0.1696 0.0404 379 ARG G CD 1879 N NE . ARG A 246 ? 1.2391 1.2298 0.8614 0.0855 0.1607 0.0631 379 ARG G NE 1880 C CZ . ARG A 246 ? 1.3208 1.2885 0.9408 0.0858 0.1783 0.0779 379 ARG G CZ 1881 N NH1 . ARG A 246 ? 1.3501 1.3033 0.9452 0.0956 0.1707 0.0983 379 ARG G NH1 1882 N NH2 . ARG A 246 ? 1.3368 1.2957 0.9802 0.0764 0.2048 0.0721 379 ARG G NH2 1883 N N . GLY A 247 ? 0.6866 0.7134 0.4862 0.0596 0.1693 -0.0128 380 GLY G N 1884 C CA . GLY A 247 ? 0.6831 0.7029 0.5043 0.0543 0.1782 -0.0291 380 GLY G CA 1885 C C . GLY A 247 ? 0.7327 0.7648 0.5517 0.0474 0.1580 -0.0394 380 GLY G C 1886 O O . GLY A 247 ? 0.7862 0.8100 0.6259 0.0428 0.1631 -0.0502 380 GLY G O 1887 N N . GLU A 248 ? 0.7384 0.7907 0.5330 0.0471 0.1360 -0.0352 381 GLU G N 1888 C CA . GLU A 248 ? 0.6826 0.7549 0.4760 0.0391 0.1164 -0.0455 381 GLU G CA 1889 C C . GLU A 248 ? 0.6591 0.7470 0.4881 0.0472 0.0992 -0.0320 381 GLU G C 1890 O O . GLU A 248 ? 0.6319 0.7232 0.4675 0.0591 0.0931 -0.0137 381 GLU G O 1891 C CB . GLU A 248 ? 0.7051 0.7980 0.4531 0.0348 0.1013 -0.0499 381 GLU G CB 1892 C CG . GLU A 248 ? 0.6928 0.7698 0.3962 0.0258 0.1176 -0.0627 381 GLU G CG 1893 C CD . GLU A 248 ? 0.8047 0.8654 0.5044 0.0084 0.1327 -0.0888 381 GLU G CD 1894 O OE1 . GLU A 248 ? 0.8613 0.9315 0.5812 -0.0005 0.1235 -0.0988 381 GLU G OE1 1895 O OE2 . GLU A 248 ? 0.8671 0.9025 0.5423 0.0029 0.1559 -0.0997 381 GLU G OE2 1896 N N . PHE A 249 ? 0.5685 0.6627 0.4176 0.0392 0.0932 -0.0419 382 PHE G N 1897 C CA . PHE A 249 ? 0.6355 0.7433 0.5159 0.0449 0.0789 -0.0312 382 PHE G CA 1898 C C . PHE A 249 ? 0.5571 0.6986 0.4266 0.0454 0.0566 -0.0308 382 PHE G C 1899 O O . PHE A 249 ? 0.5366 0.6962 0.3959 0.0326 0.0497 -0.0465 382 PHE G O 1900 C CB . PHE A 249 ? 0.5578 0.6530 0.4649 0.0368 0.0856 -0.0396 382 PHE G CB 1901 C CG . PHE A 249 ? 0.6305 0.6971 0.5564 0.0417 0.1054 -0.0357 382 PHE G CG 1902 C CD1 . PHE A 249 ? 0.6412 0.7057 0.5977 0.0526 0.1042 -0.0186 382 PHE G CD1 1903 C CD2 . PHE A 249 ? 0.7165 0.7603 0.6300 0.0358 0.1255 -0.0496 382 PHE G CD2 1904 C CE1 . PHE A 249 ? 0.6654 0.7119 0.6439 0.0586 0.1204 -0.0139 382 PHE G CE1 1905 C CE2 . PHE A 249 ? 0.6934 0.7148 0.6287 0.0438 0.1446 -0.0450 382 PHE G CE2 1906 C CZ . PHE A 249 ? 0.7246 0.7506 0.6947 0.0558 0.1409 -0.0264 382 PHE G CZ 1907 N N . PHE A 250 ? 0.5306 0.6811 0.4036 0.0603 0.0463 -0.0130 383 PHE G N 1908 C CA . PHE A 250 ? 0.5316 0.7146 0.3971 0.0670 0.0262 -0.0088 383 PHE G CA 1909 C C . PHE A 250 ? 0.5407 0.7374 0.4386 0.0693 0.0172 -0.0057 383 PHE G C 1910 O O . PHE A 250 ? 0.5420 0.7195 0.4620 0.0728 0.0235 0.0026 383 PHE G O 1911 C CB . PHE A 250 ? 0.5135 0.6925 0.3574 0.0843 0.0225 0.0097 383 PHE G CB 1912 C CG . PHE A 250 ? 0.6944 0.8745 0.4962 0.0831 0.0235 0.0071 383 PHE G CG 1913 C CD1 . PHE A 250 ? 0.7338 0.8894 0.5202 0.0729 0.0421 -0.0018 383 PHE G CD1 1914 C CD2 . PHE A 250 ? 0.7213 0.9273 0.4979 0.0937 0.0063 0.0144 383 PHE G CD2 1915 C CE1 . PHE A 250 ? 0.7423 0.8971 0.4848 0.0705 0.0442 -0.0048 383 PHE G CE1 1916 C CE2 . PHE A 250 ? 0.7196 0.9267 0.4523 0.0924 0.0058 0.0133 383 PHE G CE2 1917 C CZ . PHE A 250 ? 0.7514 0.9317 0.4650 0.0795 0.0252 0.0030 383 PHE G CZ 1918 N N . TYR A 251 ? 0.5019 0.7347 0.4020 0.0665 0.0026 -0.0128 384 TYR G N 1919 C CA . TYR A 251 ? 0.5363 0.7872 0.4642 0.0699 -0.0054 -0.0099 384 TYR G CA 1920 C C . TYR A 251 ? 0.5441 0.8319 0.4663 0.0853 -0.0223 -0.0022 384 TYR G C 1921 O O . TYR A 251 ? 0.4850 0.8082 0.3966 0.0802 -0.0334 -0.0115 384 TYR G O 1922 C CB . TYR A 251 ? 0.4750 0.7370 0.4196 0.0493 -0.0035 -0.0277 384 TYR G CB 1923 C CG . TYR A 251 ? 0.4986 0.7218 0.4513 0.0380 0.0134 -0.0326 384 TYR G CG 1924 C CD1 . TYR A 251 ? 0.3783 0.5776 0.3134 0.0305 0.0258 -0.0406 384 TYR G CD1 1925 C CD2 . TYR A 251 ? 0.4200 0.6304 0.3968 0.0360 0.0176 -0.0287 384 TYR G CD2 1926 C CE1 . TYR A 251 ? 0.4592 0.6237 0.4044 0.0241 0.0420 -0.0436 384 TYR G CE1 1927 C CE2 . TYR A 251 ? 0.4492 0.6256 0.4334 0.0289 0.0316 -0.0304 384 TYR G CE2 1928 C CZ . TYR A 251 ? 0.4807 0.6347 0.4510 0.0243 0.0438 -0.0373 384 TYR G CZ 1929 O OH . TYR A 251 ? 0.4430 0.5638 0.4233 0.0212 0.0585 -0.0375 384 TYR G OH 1930 N N . CYS A 252 ? 0.4895 0.7691 0.4183 0.1044 -0.0240 0.0146 385 CYS G N 1931 C CA . CYS A 252 ? 0.4669 0.7751 0.3897 0.1248 -0.0378 0.0253 385 CYS G CA 1932 C C . CYS A 252 ? 0.5008 0.8257 0.4521 0.1341 -0.0413 0.0286 385 CYS G C 1933 O O . CYS A 252 ? 0.4646 0.7602 0.4279 0.1352 -0.0319 0.0336 385 CYS G O 1934 C CB . CYS A 252 ? 0.4899 0.7678 0.3855 0.1431 -0.0343 0.0441 385 CYS G CB 1935 S SG . CYS A 252 ? 0.6923 0.9539 0.5491 0.1343 -0.0289 0.0413 385 CYS G SG 1936 N N . ASN A 253 ? 0.4543 0.8294 0.4160 0.1403 -0.0549 0.0250 386 ASN G N 1937 C CA . ASN A 253 ? 0.5094 0.9090 0.4998 0.1501 -0.0574 0.0264 386 ASN G CA 1938 C C . ASN A 253 ? 0.5757 0.9574 0.5591 0.1802 -0.0567 0.0465 386 ASN G C 1939 O O . ASN A 253 ? 0.5572 0.9505 0.5226 0.2004 -0.0659 0.0585 386 ASN G O 1940 C CB . ASN A 253 ? 0.4673 0.9337 0.4747 0.1457 -0.0718 0.0150 386 ASN G CB 1941 C CG . ASN A 253 ? 0.4977 0.9968 0.5398 0.1534 -0.0720 0.0136 386 ASN G CG 1942 O OD1 . ASN A 253 ? 0.4248 0.9030 0.4720 0.1734 -0.0656 0.0259 386 ASN G OD1 1943 N ND2 . ASN A 253 ? 0.5860 1.1363 0.6513 0.1359 -0.0778 -0.0029 386 ASN G ND2 1944 N N . THR A 254 ? 0.4539 0.8053 0.4489 0.1829 -0.0453 0.0500 387 THR G N 1945 C CA . THR A 254 ? 0.4598 0.7801 0.4442 0.2074 -0.0399 0.0670 387 THR G CA 1946 C C . THR A 254 ? 0.4970 0.8427 0.5033 0.2264 -0.0406 0.0692 387 THR G C 1947 O O . THR A 254 ? 0.5600 0.8714 0.5607 0.2420 -0.0310 0.0789 387 THR G O 1948 C CB . THR A 254 ? 0.4303 0.6933 0.4073 0.1971 -0.0252 0.0696 387 THR G CB 1949 O OG1 . THR A 254 ? 0.4509 0.7172 0.4500 0.1774 -0.0204 0.0568 387 THR G OG1 1950 C CG2 . THR A 254 ? 0.4225 0.6579 0.3778 0.1855 -0.0219 0.0715 387 THR G CG2 1951 N N . THR A 255 ? 0.3722 0.7777 0.4035 0.2241 -0.0503 0.0591 388 THR G N 1952 C CA . THR A 255 ? 0.4979 0.9255 0.5518 0.2362 -0.0474 0.0581 388 THR G CA 1953 C C . THR A 255 ? 0.6065 1.0117 0.6436 0.2635 -0.0458 0.0743 388 THR G C 1954 O O . THR A 255 ? 0.6393 1.0227 0.6810 0.2775 -0.0349 0.0788 388 THR G O 1955 C CB . THR A 255 ? 0.5815 1.0758 0.6625 0.2241 -0.0577 0.0440 388 THR G CB 1956 O OG1 . THR A 255 ? 0.5795 1.0901 0.6795 0.1980 -0.0543 0.0280 388 THR G OG1 1957 C CG2 . THR A 255 ? 0.6180 1.1357 0.7206 0.2396 -0.0548 0.0454 388 THR G CG2 1958 N N . GLN A 256 ? 0.5695 0.9779 0.5849 0.2710 -0.0556 0.0828 389 GLN G N 1959 C CA . GLN A 256 ? 0.6080 0.9958 0.6055 0.2969 -0.0546 0.0993 389 GLN G CA 1960 C C . GLN A 256 ? 0.6782 0.9947 0.6490 0.3064 -0.0394 0.1118 389 GLN G C 1961 O O . GLN A 256 ? 0.8563 1.1468 0.8162 0.3278 -0.0327 0.1239 389 GLN G O 1962 C CB . GLN A 256 ? 0.5400 0.9497 0.5183 0.3003 -0.0692 0.1052 389 GLN G CB 1963 C CG . GLN A 256 ? 0.5037 0.9850 0.5053 0.2909 -0.0853 0.0932 389 GLN G CG 1964 C CD . GLN A 256 ? 0.6922 1.1920 0.6696 0.2909 -0.1001 0.0978 389 GLN G CD 1965 O OE1 . GLN A 256 ? 0.7713 1.2821 0.7411 0.3111 -0.1074 0.1102 389 GLN G OE1 1966 N NE2 . GLN A 256 ? 0.5988 1.1011 0.5622 0.2686 -0.1043 0.0880 389 GLN G NE2 1967 N N . LEU A 257 ? 0.6503 0.9355 0.6106 0.2901 -0.0334 0.1089 390 LEU G N 1968 C CA . LEU A 257 ? 0.7638 0.9825 0.6978 0.2945 -0.0193 0.1198 390 LEU G CA 1969 C C . LEU A 257 ? 0.8080 0.9972 0.7500 0.3021 -0.0051 0.1194 390 LEU G C 1970 O O . LEU A 257 ? 0.8773 1.0117 0.7965 0.3104 0.0077 0.1291 390 LEU G O 1971 C CB . LEU A 257 ? 0.7244 0.9230 0.6492 0.2745 -0.0171 0.1169 390 LEU G CB 1972 C CG . LEU A 257 ? 0.7867 0.9716 0.6812 0.2723 -0.0204 0.1254 390 LEU G CG 1973 C CD1 . LEU A 257 ? 0.7526 0.9059 0.6409 0.2478 -0.0115 0.1203 390 LEU G CD1 1974 C CD2 . LEU A 257 ? 0.8761 1.0217 0.7418 0.2906 -0.0134 0.1415 390 LEU G CD2 1975 N N . PHE A 258 ? 0.6793 0.9035 0.6519 0.2979 -0.0058 0.1073 391 PHE G N 1976 C CA . PHE A 258 ? 0.8176 1.0166 0.7971 0.3040 0.0087 0.1047 391 PHE G CA 1977 C C . PHE A 258 ? 0.8973 1.1330 0.8988 0.3201 0.0080 0.1025 391 PHE G C 1978 O O . PHE A 258 ? 0.9506 1.2206 0.9801 0.3132 0.0092 0.0904 391 PHE G O 1979 C CB . PHE A 258 ? 0.7758 0.9762 0.7698 0.2837 0.0128 0.0925 391 PHE G CB 1980 C CG . PHE A 258 ? 0.7476 0.9140 0.7230 0.2599 0.0128 0.0924 391 PHE G CG 1981 C CD1 . PHE A 258 ? 0.6647 0.7705 0.6164 0.2546 0.0249 0.0974 391 PHE G CD1 1982 C CD2 . PHE A 258 ? 0.7131 0.9081 0.6949 0.2414 0.0018 0.0864 391 PHE G CD2 1983 C CE1 . PHE A 258 ? 0.5635 0.6447 0.5032 0.2322 0.0252 0.0971 391 PHE G CE1 1984 C CE2 . PHE A 258 ? 0.6651 0.8303 0.6327 0.2213 0.0037 0.0863 391 PHE G CE2 1985 C CZ . PHE A 258 ? 0.6049 0.7165 0.5540 0.2172 0.0150 0.0921 391 PHE G CZ 1986 N N . ASN A 259 ? 0.9447 1.1729 0.9333 0.3417 0.0067 0.1151 392 ASN G N 1987 C CA . ASN A 259 ? 0.9912 1.2546 1.0003 0.3613 0.0050 0.1165 392 ASN G CA 1988 C C . ASN A 259 ? 1.0025 1.2214 1.0052 0.3793 0.0241 0.1206 392 ASN G C 1989 O O . ASN A 259 ? 1.1248 1.2916 1.0980 0.3933 0.0328 0.1333 392 ASN G O 1990 C CB . ASN A 259 ? 1.1084 1.3930 1.1077 0.3768 -0.0084 0.1289 392 ASN G CB 1991 C CG . ASN A 259 ? 1.2524 1.5976 1.2828 0.3914 -0.0172 0.1278 392 ASN G CG 1992 O OD1 . ASN A 259 ? 1.2257 1.5887 1.2832 0.3943 -0.0096 0.1196 392 ASN G OD1 1993 N ND2 . ASN A 259 ? 1.4397 1.8182 1.4666 0.4005 -0.0330 0.1359 392 ASN G ND2 1994 N N . ASN A 260 ? 0.7819 1.0192 0.8104 0.3779 0.0324 0.1091 393 ASN G N 1995 C CA . ASN A 260 ? 0.8887 1.0837 0.9110 0.3936 0.0527 0.1100 393 ASN G CA 1996 C C . ASN A 260 ? 0.9270 1.1259 0.9508 0.4242 0.0539 0.1225 393 ASN G C 1997 O O . ASN A 260 ? 0.9308 1.0782 0.9367 0.4409 0.0711 0.1284 393 ASN G O 1998 C CB . ASN A 260 ? 0.8090 1.0268 0.8586 0.3837 0.0624 0.0933 393 ASN G CB 1999 C CG . ASN A 260 ? 0.7427 0.9543 0.7895 0.3556 0.0627 0.0821 393 ASN G CG 2000 O OD1 . ASN A 260 ? 0.6536 0.8097 0.6762 0.3493 0.0760 0.0804 393 ASN G OD1 2001 N ND2 . ASN A 260 ? 0.6908 0.9586 0.7613 0.3380 0.0483 0.0741 393 ASN G ND2 2002 N N . THR A 261 ? 0.9070 1.1665 0.9513 0.4313 0.0358 0.1264 394 THR G N 2003 C CA . THR A 261 ? 0.9458 1.2183 0.9948 0.4620 0.0336 0.1398 394 THR G CA 2004 C C . THR A 261 ? 0.9645 1.1765 0.9711 0.4769 0.0380 0.1578 394 THR G C 2005 O O . THR A 261 ? 1.1141 1.2969 1.1117 0.5033 0.0491 0.1689 394 THR G O 2006 C CB . THR A 261 ? 0.9540 1.3068 1.0313 0.4632 0.0106 0.1400 394 THR G CB 2007 O OG1 . THR A 261 ? 0.9050 1.3133 1.0222 0.4475 0.0086 0.1227 394 THR G OG1 2008 C CG2 . THR A 261 ? 1.0945 1.4640 1.1783 0.4973 0.0071 0.1554 394 THR G CG2 2009 N N . CYS A 262 ? 0.8868 1.0783 0.8673 0.4596 0.0311 0.1603 395 CYS G N 2010 C CA . CYS A 262 ? 1.0370 1.1755 0.9770 0.4700 0.0348 0.1770 395 CYS G CA 2011 C C . CYS A 262 ? 1.1524 1.2076 1.0615 0.4682 0.0585 0.1785 395 CYS G C 2012 O O . CYS A 262 ? 1.2377 1.2412 1.1136 0.4801 0.0672 0.1925 395 CYS G O 2013 C CB . CYS A 262 ? 1.0244 1.1750 0.9493 0.4514 0.0195 0.1783 395 CYS G CB 2014 S SG . CYS A 262 ? 1.5403 1.7793 1.4895 0.4538 -0.0081 0.1785 395 CYS G SG 2015 N N . ILE A 263 ? 1.1344 1.1754 1.0527 0.4521 0.0696 0.1637 396 ILE G N 2016 C CA . ILE A 263 ? 1.1454 1.1083 1.0338 0.4464 0.0920 0.1624 396 ILE G CA 2017 C C . ILE A 263 ? 1.1917 1.1322 1.0861 0.4634 0.1111 0.1585 396 ILE G C 2018 O O . ILE A 263 ? 1.2829 1.1786 1.1659 0.4517 0.1286 0.1480 396 ILE G O 2019 C CB . ILE A 263 ? 1.1094 1.0601 0.9960 0.4154 0.0934 0.1489 396 ILE G CB 2020 C CG1 . ILE A 263 ? 1.0582 1.0654 0.9832 0.4059 0.0873 0.1329 396 ILE G CG1 2021 C CG2 . ILE A 263 ? 1.1592 1.1161 1.0335 0.3993 0.0795 0.1538 396 ILE G CG2 2022 C CD1 . ILE A 263 ? 0.9642 0.9661 0.8897 0.3777 0.0867 0.1209 396 ILE G CD1 2023 N N . GLY A 264 ? 1.2790 1.2499 1.1904 0.4910 0.1081 0.1668 397 GLY G N 2024 C CA . GLY A 264 ? 1.2367 1.1885 1.1557 0.5106 0.1269 0.1641 397 GLY G CA 2025 C C . GLY A 264 ? 1.2464 1.2495 1.1936 0.5417 0.1186 0.1739 397 GLY G C 2026 O O . GLY A 264 ? 1.2519 1.2681 1.2226 0.5568 0.1294 0.1682 397 GLY G O 2027 N N . THR A 267 ? 1.4351 1.5308 1.4526 0.6171 0.1169 0.1898 406 THR G N 2028 C CA . THR A 267 ? 1.4356 1.5956 1.4687 0.6252 0.0897 0.2014 406 THR G CA 2029 C C . THR A 267 ? 1.4116 1.5610 1.4152 0.5999 0.0752 0.2038 406 THR G C 2030 O O . THR A 267 ? 1.3097 1.4986 1.3284 0.5721 0.0625 0.1905 406 THR G O 2031 C CB . THR A 267 ? 1.3656 1.6180 1.4539 0.6214 0.0752 0.1896 406 THR G CB 2032 N N . MET A 268 ? 1.4777 1.5724 1.4394 0.6098 0.0786 0.2204 407 MET G N 2033 C CA . MET A 268 ? 1.4211 1.5006 1.3531 0.5877 0.0677 0.2235 407 MET G CA 2034 C C . MET A 268 ? 1.4466 1.5422 1.3640 0.6073 0.0517 0.2437 407 MET G C 2035 O O . MET A 268 ? 1.4354 1.4712 1.3117 0.6145 0.0602 0.2579 407 MET G O 2036 C CB . MET A 268 ? 1.3775 1.3679 1.2670 0.5729 0.0892 0.2221 407 MET G CB 2037 N N . LYS A 269 ? 1.4536 1.6301 1.4040 0.6145 0.0290 0.2445 408 LYS G N 2038 C CA . LYS A 269 ? 1.4729 1.6749 1.4121 0.6329 0.0106 0.2630 408 LYS G CA 2039 C C . LYS A 269 ? 1.4240 1.7090 1.3882 0.6157 -0.0171 0.2548 408 LYS G C 2040 O O . LYS A 269 ? 1.4448 1.7926 1.4523 0.6095 -0.0247 0.2412 408 LYS G O 2041 C CB . LYS A 269 ? 1.4468 1.6592 1.3995 0.6746 0.0131 0.2792 408 LYS G CB 2042 C CG . LYS A 269 ? 1.4242 1.5493 1.3445 0.6956 0.0403 0.2909 408 LYS G CG 2043 C CD . LYS A 269 ? 1.4185 1.5590 1.3565 0.7389 0.0423 0.3069 408 LYS G CD 2044 C CE . LYS A 269 ? 1.4628 1.5112 1.3652 0.7598 0.0713 0.3184 408 LYS G CE 2045 N NZ . LYS A 269 ? 1.5170 1.5782 1.4371 0.8048 0.0746 0.3348 408 LYS G NZ 2046 N N . GLY A 270 ? 1.3302 1.6138 1.2658 0.6069 -0.0308 0.2625 409 GLY G N 2047 C CA . GLY A 270 ? 1.2534 1.6107 1.2061 0.5907 -0.0567 0.2553 409 GLY G CA 2048 C C . GLY A 270 ? 1.2228 1.5665 1.1541 0.5555 -0.0603 0.2441 409 GLY G C 2049 O O . GLY A 270 ? 1.1763 1.5533 1.0980 0.5462 -0.0792 0.2456 409 GLY G O 2050 N N . CYS A 271 ? 1.3006 1.5956 1.2241 0.5361 -0.0422 0.2330 410 CYS G N 2051 C CA . CYS A 271 ? 1.2424 1.5237 1.1499 0.5034 -0.0437 0.2218 410 CYS G CA 2052 C C . CYS A 271 ? 1.2191 1.4295 1.0779 0.5026 -0.0337 0.2347 410 CYS G C 2053 O O . CYS A 271 ? 1.1249 1.3001 0.9683 0.4789 -0.0253 0.2269 410 CYS G O 2054 C CB . CYS A 271 ? 1.2545 1.5266 1.1820 0.4815 -0.0314 0.2028 410 CYS G CB 2055 S SG . CYS A 271 ? 1.6153 1.8254 1.5412 0.4973 -0.0041 0.2050 410 CYS G SG 2056 N N . ASN A 272 ? 1.2795 1.4701 1.1148 0.5288 -0.0343 0.2550 411 ASN G N 2057 C CA . ASN A 272 ? 1.3927 1.5139 1.1804 0.5300 -0.0230 0.2690 411 ASN G CA 2058 C C . ASN A 272 ? 1.3796 1.5211 1.1440 0.5217 -0.0405 0.2751 411 ASN G C 2059 O O . ASN A 272 ? 1.5398 1.6836 1.2845 0.5429 -0.0491 0.2933 411 ASN G O 2060 C CB . ASN A 272 ? 1.5568 1.6349 1.3270 0.5635 -0.0106 0.2887 411 ASN G CB 2061 C CG . ASN A 272 ? 1.6383 1.6311 1.3605 0.5613 0.0088 0.3001 411 ASN G CG 2062 O OD1 . ASN A 272 ? 1.6818 1.6376 1.3910 0.5348 0.0202 0.2901 411 ASN G OD1 2063 N ND2 . ASN A 272 ? 1.6662 1.6275 1.3620 0.5891 0.0130 0.3215 411 ASN G ND2 2064 N N . GLY A 273 ? 1.0186 1.1738 0.7838 0.4914 -0.0455 0.2605 412 GLY G N 2065 C CA . GLY A 273 ? 1.0426 1.2176 0.7850 0.4804 -0.0611 0.2635 412 GLY G CA 2066 C C . GLY A 273 ? 1.1103 1.2812 0.8487 0.4470 -0.0592 0.2476 412 GLY G C 2067 O O . GLY A 273 ? 1.1569 1.2825 0.8927 0.4338 -0.0412 0.2415 412 GLY G O 2068 N N . THR A 274 ? 1.0473 1.2658 0.7844 0.4331 -0.0777 0.2409 413 THR G N 2069 C CA . THR A 274 ? 0.9723 1.1899 0.7042 0.4027 -0.0765 0.2261 413 THR G CA 2070 C C . THR A 274 ? 0.9162 1.1883 0.6906 0.3859 -0.0844 0.2042 413 THR G C 2071 O O . THR A 274 ? 0.9234 1.2578 0.7209 0.3885 -0.1017 0.1983 413 THR G O 2072 C CB . THR A 274 ? 0.9542 1.1830 0.6515 0.3938 -0.0891 0.2302 413 THR G CB 2073 O OG1 . THR A 274 ? 1.0104 1.1797 0.6642 0.4043 -0.0780 0.2498 413 THR G OG1 2074 C CG2 . THR A 274 ? 0.8654 1.1004 0.5605 0.3631 -0.0880 0.2128 413 THR G CG2 2075 N N . ILE A 275 ? 0.8009 1.0491 0.5850 0.3679 -0.0713 0.1926 414 ILE G N 2076 C CA . ILE A 275 ? 0.7608 1.0528 0.5816 0.3499 -0.0765 0.1723 414 ILE G CA 2077 C C . ILE A 275 ? 0.7331 1.0459 0.5436 0.3249 -0.0846 0.1602 414 ILE G C 2078 O O . ILE A 275 ? 0.7109 0.9830 0.4921 0.3151 -0.0756 0.1635 414 ILE G O 2079 C CB . ILE A 275 ? 0.7339 0.9905 0.5713 0.3441 -0.0590 0.1664 414 ILE G CB 2080 C CG1 . ILE A 275 ? 0.7701 1.0007 0.6129 0.3677 -0.0486 0.1769 414 ILE G CG1 2081 C CG2 . ILE A 275 ? 0.6693 0.9703 0.5432 0.3255 -0.0642 0.1464 414 ILE G CG2 2082 C CD1 . ILE A 275 ? 0.7260 0.9190 0.5804 0.3616 -0.0313 0.1709 414 ILE G CD1 2083 N N . THR A 276 ? 0.7200 1.0954 0.5536 0.3135 -0.1002 0.1454 415 THR G N 2084 C CA . THR A 276 ? 0.7508 1.1479 0.5737 0.2883 -0.1076 0.1310 415 THR G CA 2085 C C . THR A 276 ? 0.7361 1.1614 0.5932 0.2675 -0.1068 0.1102 415 THR G C 2086 O O . THR A 276 ? 0.7240 1.2005 0.6137 0.2641 -0.1160 0.0995 415 THR G O 2087 C CB . THR A 276 ? 0.7103 1.1561 0.5222 0.2865 -0.1278 0.1291 415 THR G CB 2088 O OG1 . THR A 276 ? 0.7778 1.1970 0.5561 0.3069 -0.1295 0.1502 415 THR G OG1 2089 C CG2 . THR A 276 ? 0.6411 1.1007 0.4342 0.2582 -0.1326 0.1125 415 THR G CG2 2090 N N . LEU A 277 ? 0.6617 1.0537 0.5112 0.2534 -0.0951 0.1052 416 LEU G N 2091 C CA . LEU A 277 ? 0.6492 1.0621 0.5271 0.2335 -0.0936 0.0869 416 LEU G CA 2092 C C . LEU A 277 ? 0.6821 1.1289 0.5500 0.2086 -0.1032 0.0689 416 LEU G C 2093 O O . LEU A 277 ? 0.7092 1.1348 0.5395 0.2021 -0.1012 0.0703 416 LEU G O 2094 C CB . LEU A 277 ? 0.5181 0.8798 0.3939 0.2305 -0.0770 0.0907 416 LEU G CB 2095 C CG . LEU A 277 ? 0.6177 0.9335 0.4949 0.2498 -0.0642 0.1065 416 LEU G CG 2096 C CD1 . LEU A 277 ? 0.4542 0.7197 0.3316 0.2354 -0.0469 0.1045 416 LEU G CD1 2097 C CD2 . LEU A 277 ? 0.5331 0.8734 0.4445 0.2598 -0.0656 0.1034 416 LEU G CD2 2098 N N . PRO A 278 ? 0.6863 1.1832 0.5855 0.1923 -0.1111 0.0502 417 PRO G N 2099 C CA . PRO A 278 ? 0.6354 1.1572 0.5261 0.1621 -0.1163 0.0280 417 PRO G CA 2100 C C . PRO A 278 ? 0.5839 1.0508 0.4728 0.1382 -0.0947 0.0164 417 PRO G C 2101 O O . PRO A 278 ? 0.5511 0.9960 0.4668 0.1357 -0.0828 0.0156 417 PRO G O 2102 C CB . PRO A 278 ? 0.7121 1.2947 0.6436 0.1505 -0.1259 0.0123 417 PRO G CB 2103 C CG . PRO A 278 ? 0.7287 1.3167 0.6856 0.1776 -0.1254 0.0282 417 PRO G CG 2104 C CD . PRO A 278 ? 0.6274 1.1550 0.5698 0.1980 -0.1122 0.0470 417 PRO G CD 2105 N N . CYS A 279 ? 0.5013 0.9468 0.3582 0.1222 -0.0894 0.0082 418 CYS G N 2106 C CA . CYS A 279 ? 0.5642 0.9604 0.4208 0.1025 -0.0684 -0.0021 418 CYS G CA 2107 C C . CYS A 279 ? 0.6666 1.0736 0.5141 0.0723 -0.0664 -0.0274 418 CYS G C 2108 O O . CYS A 279 ? 0.7517 1.1983 0.5808 0.0652 -0.0811 -0.0363 418 CYS G O 2109 C CB . CYS A 279 ? 0.6931 1.0383 0.5200 0.1126 -0.0553 0.0125 418 CYS G CB 2110 S SG . CYS A 279 ? 0.7831 1.1022 0.6126 0.1439 -0.0533 0.0410 418 CYS G SG 2111 N N . LYS A 280 ? 0.6398 1.0106 0.4989 0.0547 -0.0481 -0.0389 419 LYS G N 2112 C CA . LYS A 280 ? 0.6992 1.0639 0.5447 0.0266 -0.0401 -0.0628 419 LYS G CA 2113 C C . LYS A 280 ? 0.6445 0.9500 0.4843 0.0215 -0.0160 -0.0642 419 LYS G C 2114 O O . LYS A 280 ? 0.5972 0.8758 0.4618 0.0289 -0.0060 -0.0545 419 LYS G O 2115 C CB . LYS A 280 ? 0.6787 1.0724 0.5522 0.0056 -0.0435 -0.0811 419 LYS G CB 2116 C CG . LYS A 280 ? 0.8879 1.2719 0.8000 0.0115 -0.0376 -0.0732 419 LYS G CG 2117 C CD . LYS A 280 ? 0.9790 1.3942 0.9152 -0.0111 -0.0399 -0.0912 419 LYS G CD 2118 C CE . LYS A 280 ? 0.8646 1.2708 0.8346 -0.0052 -0.0338 -0.0827 419 LYS G CE 2119 N NZ . LYS A 280 ? 0.7959 1.2262 0.7869 -0.0301 -0.0318 -0.1004 419 LYS G NZ 2120 N N . ILE A 281 ? 0.6711 0.9588 0.4778 0.0096 -0.0067 -0.0761 420 ILE G N 2121 C CA . ILE A 281 ? 0.6491 0.8850 0.4525 0.0050 0.0182 -0.0797 420 ILE G CA 2122 C C . ILE A 281 ? 0.6209 0.8423 0.4386 -0.0176 0.0300 -0.1006 420 ILE G C 2123 O O . ILE A 281 ? 0.8144 1.0502 0.6146 -0.0393 0.0276 -0.1221 420 ILE G O 2124 C CB . ILE A 281 ? 0.6837 0.9019 0.4433 0.0030 0.0274 -0.0837 420 ILE G CB 2125 C CG1 . ILE A 281 ? 0.7576 0.9804 0.5001 0.0258 0.0194 -0.0601 420 ILE G CG1 2126 C CG2 . ILE A 281 ? 0.6130 0.7817 0.3743 -0.0022 0.0556 -0.0904 420 ILE G CG2 2127 C CD1 . ILE A 281 ? 0.8171 1.0222 0.5121 0.0240 0.0292 -0.0620 420 ILE G CD1 2128 N N . LYS A 282 ? 0.6727 0.8646 0.5201 -0.0134 0.0427 -0.0942 421 LYS G N 2129 C CA . LYS A 282 ? 0.7007 0.8728 0.5613 -0.0320 0.0549 -0.1101 421 LYS G CA 2130 C C . LYS A 282 ? 0.7626 0.8840 0.6157 -0.0338 0.0807 -0.1157 421 LYS G C 2131 O O . LYS A 282 ? 0.7171 0.8192 0.5740 -0.0166 0.0895 -0.1013 421 LYS G O 2132 C CB . LYS A 282 ? 0.5106 0.6866 0.4082 -0.0264 0.0505 -0.0988 421 LYS G CB 2133 C CG . LYS A 282 ? 0.5585 0.7854 0.4674 -0.0267 0.0289 -0.0971 421 LYS G CG 2134 C CD . LYS A 282 ? 0.5694 0.7974 0.5110 -0.0228 0.0275 -0.0876 421 LYS G CD 2135 C CE . LYS A 282 ? 0.7444 0.9472 0.6943 -0.0436 0.0416 -0.1011 421 LYS G CE 2136 N NZ . LYS A 282 ? 0.8144 0.9670 0.7715 -0.0353 0.0583 -0.0910 421 LYS G NZ 2137 N N . GLN A 283 ? 0.7447 0.8448 0.5876 -0.0550 0.0940 -0.1375 422 GLN G N 2138 C CA . GLN A 283 ? 0.7420 0.7910 0.5777 -0.0560 0.1213 -0.1449 422 GLN G CA 2139 C C . GLN A 283 ? 0.7696 0.7879 0.6356 -0.0537 0.1328 -0.1393 422 GLN G C 2140 O O . GLN A 283 ? 0.9229 0.9012 0.7966 -0.0439 0.1535 -0.1356 422 GLN G O 2141 C CB . GLN A 283 ? 0.8722 0.9077 0.6694 -0.0807 0.1325 -0.1739 422 GLN G CB 2142 C CG . GLN A 283 ? 0.9582 1.0207 0.7178 -0.0834 0.1220 -0.1794 422 GLN G CG 2143 C CD . GLN A 283 ? 0.9928 1.1150 0.7510 -0.0887 0.0911 -0.1777 422 GLN G CD 2144 O OE1 . GLN A 283 ? 1.0110 1.1542 0.7862 -0.1031 0.0815 -0.1855 422 GLN G OE1 2145 N NE2 . GLN A 283 ? 1.0181 1.1681 0.7568 -0.0760 0.0764 -0.1663 422 GLN G NE2 2146 N N . ILE A 284 ? 0.7082 0.7468 0.5913 -0.0618 0.1197 -0.1379 423 ILE G N 2147 C CA . ILE A 284 ? 0.6414 0.6538 0.5501 -0.0591 0.1275 -0.1291 423 ILE G CA 2148 C C . ILE A 284 ? 0.6469 0.6837 0.5834 -0.0399 0.1110 -0.1044 423 ILE G C 2149 O O . ILE A 284 ? 0.6324 0.7087 0.5744 -0.0428 0.0926 -0.1023 423 ILE G O 2150 C CB . ILE A 284 ? 0.8309 0.8413 0.7357 -0.0861 0.1294 -0.1468 423 ILE G CB 2151 C CG1 . ILE A 284 ? 0.9763 0.9613 0.8489 -0.1095 0.1460 -0.1747 423 ILE G CG1 2152 C CG2 . ILE A 284 ? 0.7197 0.6971 0.6455 -0.0825 0.1391 -0.1353 423 ILE G CG2 2153 C CD1 . ILE A 284 ? 1.1086 1.0935 0.9744 -0.1417 0.1486 -0.1957 423 ILE G CD1 2154 N N . ILE A 285 ? 0.6295 0.6443 0.5839 -0.0203 0.1181 -0.0863 424 ILE G N 2155 C CA . ILE A 285 ? 0.5745 0.6094 0.5513 -0.0036 0.1035 -0.0643 424 ILE G CA 2156 C C . ILE A 285 ? 0.6386 0.6496 0.6381 0.0042 0.1086 -0.0499 424 ILE G C 2157 O O . ILE A 285 ? 0.6479 0.6229 0.6492 0.0049 0.1256 -0.0518 424 ILE G O 2158 C CB . ILE A 285 ? 0.6510 0.6939 0.6276 0.0135 0.1020 -0.0527 424 ILE G CB 2159 C CG1 . ILE A 285 ? 0.6861 0.6976 0.6751 0.0251 0.1202 -0.0458 424 ILE G CG1 2160 C CG2 . ILE A 285 ? 0.5964 0.6557 0.5438 0.0075 0.0995 -0.0650 424 ILE G CG2 2161 C CD1 . ILE A 285 ? 0.7656 0.7871 0.7636 0.0407 0.1193 -0.0312 424 ILE G CD1 2162 N N . ASN A 286 ? 0.5456 0.5756 0.5602 0.0107 0.0940 -0.0354 425 ASN G N 2163 C CA . ASN A 286 ? 0.5144 0.5276 0.5483 0.0208 0.0949 -0.0181 425 ASN G CA 2164 C C . ASN A 286 ? 0.6130 0.6302 0.6608 0.0388 0.0937 -0.0032 425 ASN G C 2165 O O . ASN A 286 ? 0.5212 0.5622 0.5681 0.0435 0.0832 0.0015 425 ASN G O 2166 C CB . ASN A 286 ? 0.4358 0.4659 0.4757 0.0169 0.0813 -0.0111 425 ASN G CB 2167 C CG . ASN A 286 ? 0.5438 0.5702 0.5746 -0.0026 0.0851 -0.0246 425 ASN G CG 2168 O OD1 . ASN A 286 ? 0.5226 0.5158 0.5490 -0.0101 0.0991 -0.0290 425 ASN G OD1 2169 N ND2 . ASN A 286 ? 0.4915 0.5517 0.5203 -0.0108 0.0740 -0.0313 425 ASN G ND2 2170 N N . MET A 287 ? 0.6236 0.6177 0.6850 0.0488 0.1055 0.0045 426 MET G N 2171 C CA . MET A 287 ? 0.5928 0.5950 0.6725 0.0641 0.1064 0.0174 426 MET G CA 2172 C C . MET A 287 ? 0.5733 0.5944 0.6692 0.0697 0.0899 0.0348 426 MET G C 2173 O O . MET A 287 ? 0.5327 0.5482 0.6335 0.0686 0.0833 0.0426 426 MET G O 2174 C CB . MET A 287 ? 0.5287 0.5055 0.6232 0.0752 0.1243 0.0209 426 MET G CB 2175 C CG . MET A 287 ? 0.6257 0.5849 0.7048 0.0727 0.1442 0.0039 426 MET G CG 2176 S SD . MET A 287 ? 0.8849 0.8067 0.9804 0.0876 0.1692 0.0065 426 MET G SD 2177 C CE . MET A 287 ? 0.8872 0.7730 0.9670 0.0761 0.1722 0.0010 426 MET G CE 2178 N N . TRP A 288 ? 0.5062 0.5470 0.6070 0.0741 0.0843 0.0404 427 TRP G N 2179 C CA . TRP A 288 ? 0.5660 0.6227 0.6795 0.0767 0.0700 0.0545 427 TRP G CA 2180 C C . TRP A 288 ? 0.5696 0.6269 0.7112 0.0866 0.0716 0.0685 427 TRP G C 2181 O O . TRP A 288 ? 0.4669 0.5339 0.6187 0.0869 0.0589 0.0803 427 TRP G O 2182 C CB . TRP A 288 ? 0.5709 0.6434 0.6773 0.0762 0.0654 0.0552 427 TRP G CB 2183 C CG . TRP A 288 ? 0.5511 0.6261 0.6671 0.0818 0.0772 0.0569 427 TRP G CG 2184 C CD1 . TRP A 288 ? 0.5099 0.5792 0.6109 0.0818 0.0899 0.0470 427 TRP G CD1 2185 C CD2 . TRP A 288 ? 0.4850 0.5713 0.6277 0.0867 0.0782 0.0686 427 TRP G CD2 2186 N NE1 . TRP A 288 ? 0.5358 0.6097 0.6520 0.0869 0.1010 0.0521 427 TRP G NE1 2187 C CE2 . TRP A 288 ? 0.5568 0.6435 0.7016 0.0897 0.0939 0.0652 427 TRP G CE2 2188 C CE3 . TRP A 288 ? 0.4756 0.5745 0.6403 0.0873 0.0670 0.0812 427 TRP G CE3 2189 C CZ2 . TRP A 288 ? 0.4477 0.5493 0.6200 0.0933 0.1001 0.0737 427 TRP G CZ2 2190 C CZ3 . TRP A 288 ? 0.5042 0.6202 0.6961 0.0903 0.0706 0.0895 427 TRP G CZ3 2191 C CH2 . TRP A 288 ? 0.5076 0.6260 0.7053 0.0933 0.0876 0.0857 427 TRP G CH2 2192 N N . GLN A 289 ? 0.5457 0.5942 0.6995 0.0949 0.0874 0.0669 428 GLN G N 2193 C CA . GLN A 289 ? 0.8505 0.9041 1.0362 0.1081 0.0903 0.0808 428 GLN G CA 2194 C C . GLN A 289 ? 1.0919 1.1369 1.2831 0.1115 0.0805 0.0927 428 GLN G C 2195 O O . GLN A 289 ? 1.1140 1.1733 1.3309 0.1215 0.0739 0.1085 428 GLN G O 2196 C CB . GLN A 289 ? 0.7930 0.8315 0.9878 0.1182 0.1130 0.0748 428 GLN G CB 2197 C CG . GLN A 289 ? 0.7017 0.7490 0.8918 0.1161 0.1250 0.0654 428 GLN G CG 2198 C CD . GLN A 289 ? 0.7163 0.7465 0.8684 0.1046 0.1312 0.0468 428 GLN G CD 2199 O OE1 . GLN A 289 ? 0.7347 0.7691 0.8653 0.0939 0.1174 0.0429 428 GLN G OE1 2200 N NE2 . GLN A 289 ? 0.6905 0.7031 0.8342 0.1069 0.1523 0.0349 428 GLN G NE2 2201 N N . GLY A 290 ? 1.1821 1.2060 1.3487 0.1026 0.0795 0.0856 429 GLY G N 2202 C CA . GLY A 290 ? 1.1488 1.1624 1.3125 0.1025 0.0701 0.0969 429 GLY G CA 2203 C C . GLY A 290 ? 1.1484 1.1243 1.2995 0.1029 0.0837 0.0933 429 GLY G C 2204 O O . GLY A 290 ? 1.1644 1.1258 1.3055 0.0999 0.0782 0.1014 429 GLY G O 2205 N N . THR A 291 ? 1.0162 0.9728 1.1645 0.1049 0.1029 0.0806 430 THR G N 2206 C CA . THR A 291 ? 1.0829 0.9966 1.2182 0.1045 0.1198 0.0756 430 THR G CA 2207 C C . THR A 291 ? 0.9928 0.8933 1.0978 0.0816 0.1220 0.0572 430 THR G C 2208 O O . THR A 291 ? 1.0629 0.9776 1.1589 0.0706 0.1078 0.0592 430 THR G O 2209 C CB . THR A 291 ? 1.2267 1.1209 1.3701 0.1158 0.1427 0.0679 430 THR G CB 2210 O OG1 . THR A 291 ? 1.2842 1.2008 1.4243 0.1095 0.1446 0.0536 430 THR G OG1 2211 C CG2 . THR A 291 ? 1.2004 1.1007 1.3780 0.1414 0.1445 0.0886 430 THR G CG2 2212 N N . GLY A 292 ? 0.8927 0.7680 0.9824 0.0735 0.1405 0.0385 431 GLY G N 2213 C CA . GLY A 292 ? 0.8068 0.6732 0.8705 0.0496 0.1433 0.0193 431 GLY G CA 2214 C C . GLY A 292 ? 0.7373 0.6239 0.7881 0.0373 0.1443 -0.0021 431 GLY G C 2215 O O . GLY A 292 ? 0.6148 0.5382 0.6711 0.0403 0.1304 0.0000 431 GLY G O 2216 N N . GLN A 293 ? 0.7396 0.6000 0.7701 0.0228 0.1609 -0.0226 432 GLN G N 2217 C CA . GLN A 293 ? 0.7390 0.6193 0.7516 0.0083 0.1603 -0.0441 432 GLN G CA 2218 C C . GLN A 293 ? 0.8215 0.6856 0.8287 0.0165 0.1775 -0.0526 432 GLN G C 2219 O O . GLN A 293 ? 0.8147 0.6402 0.8270 0.0275 0.1971 -0.0498 432 GLN G O 2220 C CB . GLN A 293 ? 0.8262 0.6966 0.8164 -0.0195 0.1651 -0.0654 432 GLN G CB 2221 C CG . GLN A 293 ? 0.9647 0.8621 0.9591 -0.0309 0.1486 -0.0614 432 GLN G CG 2222 C CD . GLN A 293 ? 1.1338 1.0269 1.1104 -0.0610 0.1547 -0.0837 432 GLN G CD 2223 O OE1 . GLN A 293 ? 1.0818 0.9375 1.0410 -0.0741 0.1740 -0.1000 432 GLN G OE1 2224 N NE2 . GLN A 293 ? 1.2552 1.1870 1.2365 -0.0728 0.1397 -0.0856 432 GLN G NE2 2225 N N . ALA A 294 ? 0.7257 0.6185 0.7211 0.0121 0.1713 -0.0625 433 ALA G N 2226 C CA . ALA A 294 ? 0.6984 0.5786 0.6831 0.0172 0.1881 -0.0723 433 ALA G CA 2227 C C . ALA A 294 ? 0.7886 0.6774 0.7384 -0.0048 0.1884 -0.0973 433 ALA G C 2228 O O . ALA A 294 ? 0.7997 0.7248 0.7415 -0.0160 0.1683 -0.1005 433 ALA G O 2229 C CB . ALA A 294 ? 0.7751 0.6816 0.7788 0.0367 0.1817 -0.0555 433 ALA G CB 2230 N N . MET A 295 ? 0.7197 0.5760 0.6484 -0.0103 0.2113 -0.1150 434 MET G N 2231 C CA . MET A 295 ? 0.8014 0.6645 0.6921 -0.0328 0.2122 -0.1403 434 MET G CA 2232 C C . MET A 295 ? 0.9043 0.7700 0.7791 -0.0243 0.2220 -0.1438 434 MET G C 2233 O O . MET A 295 ? 0.9507 0.7858 0.8331 -0.0097 0.2451 -0.1414 434 MET G O 2234 C CB . MET A 295 ? 0.9326 0.7510 0.8004 -0.0546 0.2327 -0.1645 434 MET G CB 2235 C CG . MET A 295 ? 0.9088 0.7152 0.7888 -0.0654 0.2290 -0.1619 434 MET G CG 2236 S SD . MET A 295 ? 1.2495 1.0074 1.0936 -0.1004 0.2519 -0.1956 434 MET G SD 2237 C CE . MET A 295 ? 1.6510 1.3638 1.5163 -0.0952 0.2629 -0.1803 434 MET G CE 2238 N N . TYR A 296 ? 0.8947 0.7973 0.7469 -0.0326 0.2052 -0.1487 435 TYR G N 2239 C CA . TYR A 296 ? 0.9180 0.8234 0.7480 -0.0267 0.2137 -0.1513 435 TYR G CA 2240 C C . TYR A 296 ? 0.8893 0.7981 0.6702 -0.0509 0.2139 -0.1775 435 TYR G C 2241 O O . TYR A 296 ? 0.9292 0.8524 0.6976 -0.0722 0.2007 -0.1915 435 TYR G O 2242 C CB . TYR A 296 ? 0.8581 0.8021 0.7019 -0.0103 0.1942 -0.1281 435 TYR G CB 2243 C CG . TYR A 296 ? 0.7873 0.7288 0.6753 0.0121 0.1966 -0.1041 435 TYR G CG 2244 C CD1 . TYR A 296 ? 0.8045 0.7583 0.7227 0.0167 0.1803 -0.0898 435 TYR G CD1 2245 C CD2 . TYR A 296 ? 0.7544 0.6840 0.6536 0.0275 0.2155 -0.0963 435 TYR G CD2 2246 C CE1 . TYR A 296 ? 0.7619 0.7162 0.7176 0.0351 0.1804 -0.0686 435 TYR G CE1 2247 C CE2 . TYR A 296 ? 0.7921 0.7265 0.7342 0.0461 0.2157 -0.0751 435 TYR G CE2 2248 C CZ . TYR A 296 ? 0.7325 0.6793 0.7012 0.0494 0.1970 -0.0613 435 TYR G CZ 2249 O OH . TYR A 296 ? 0.7225 0.6768 0.7309 0.0659 0.1952 -0.0409 435 TYR G OH 2250 N N . ALA A 297 ? 0.8680 0.7658 0.6206 -0.0489 0.2291 -0.1845 436 ALA G N 2251 C CA . ALA A 297 ? 0.9807 0.8827 0.6803 -0.0714 0.2288 -0.2085 436 ALA G CA 2252 C C . ALA A 297 ? 1.0089 0.9664 0.6952 -0.0754 0.1943 -0.2008 436 ALA G C 2253 O O . ALA A 297 ? 0.9798 0.9648 0.6941 -0.0570 0.1767 -0.1758 436 ALA G O 2254 C CB . ALA A 297 ? 1.0392 0.9146 0.7109 -0.0657 0.2553 -0.2152 436 ALA G CB 2255 N N . PRO A 298 ? 1.0246 0.9991 0.6680 -0.0994 0.1844 -0.2224 437 PRO G N 2256 C CA . PRO A 298 ? 0.9610 0.9905 0.5877 -0.1002 0.1521 -0.2143 437 PRO G CA 2257 C C . PRO A 298 ? 0.9642 1.0012 0.5809 -0.0771 0.1500 -0.1915 437 PRO G C 2258 O O . PRO A 298 ? 1.0112 1.0129 0.6192 -0.0692 0.1760 -0.1909 437 PRO G O 2259 C CB . PRO A 298 ? 1.0662 1.1027 0.6412 -0.1308 0.1498 -0.2446 437 PRO G CB 2260 C CG . PRO A 298 ? 1.1329 1.1266 0.7123 -0.1511 0.1731 -0.2689 437 PRO G CG 2261 C CD . PRO A 298 ? 1.0513 0.9960 0.6615 -0.1283 0.2015 -0.2558 437 PRO G CD 2262 N N . PRO A 299 ? 0.9713 1.0525 0.5894 -0.0662 0.1213 -0.1728 438 PRO G N 2263 C CA . PRO A 299 ? 0.9758 1.0597 0.5839 -0.0445 0.1198 -0.1488 438 PRO G CA 2264 C C . PRO A 299 ? 1.0562 1.1252 0.6066 -0.0511 0.1327 -0.1579 438 PRO G C 2265 O O . PRO A 299 ? 1.0005 1.0707 0.5113 -0.0734 0.1332 -0.1825 438 PRO G O 2266 C CB . PRO A 299 ? 1.0035 1.1366 0.6180 -0.0348 0.0856 -0.1317 438 PRO G CB 2267 C CG . PRO A 299 ? 1.0100 1.1747 0.6196 -0.0568 0.0687 -0.1528 438 PRO G CG 2268 C CD . PRO A 299 ? 1.0315 1.1616 0.6612 -0.0731 0.0906 -0.1729 438 PRO G CD 2269 N N . ILE A 300 ? 1.0591 1.1132 0.6032 -0.0337 0.1443 -0.1389 439 ILE G N 2270 C CA . ILE A 300 ? 1.2114 1.2511 0.6983 -0.0381 0.1574 -0.1434 439 ILE G CA 2271 C C . ILE A 300 ? 1.1913 1.2687 0.6311 -0.0423 0.1274 -0.1402 439 ILE G C 2272 O O . ILE A 300 ? 1.0330 1.1479 0.4925 -0.0333 0.0981 -0.1260 439 ILE G O 2273 C CB . ILE A 300 ? 1.2693 1.2873 0.7635 -0.0191 0.1766 -0.1212 439 ILE G CB 2274 C CG1 . ILE A 300 ? 1.3114 1.3515 0.8371 0.0010 0.1550 -0.0912 439 ILE G CG1 2275 C CG2 . ILE A 300 ? 1.1930 1.1765 0.7255 -0.0164 0.2096 -0.1278 439 ILE G CG2 2276 C CD1 . ILE A 300 ? 1.3355 1.3553 0.8705 0.0160 0.1732 -0.0699 439 ILE G CD1 2277 N N . ASP A 301 ? 1.1794 1.2479 0.5566 -0.0552 0.1351 -0.1533 440 ASP G N 2278 C CA . ASP A 301 ? 1.2102 1.3159 0.5371 -0.0586 0.1059 -0.1492 440 ASP G CA 2279 C C . ASP A 301 ? 1.2827 1.3911 0.5938 -0.0338 0.0984 -0.1153 440 ASP G C 2280 O O . ASP A 301 ? 1.3810 1.4599 0.7159 -0.0188 0.1192 -0.0988 440 ASP G O 2281 C CB . ASP A 301 ? 1.3032 1.3894 0.5832 -0.0767 0.1120 -0.1702 440 ASP G CB 2282 C CG . ASP A 301 ? 1.3388 1.4249 0.6328 -0.1023 0.1128 -0.2019 440 ASP G CG 2283 O OD1 . ASP A 301 ? 1.2517 1.3683 0.5827 -0.1072 0.0954 -0.2053 440 ASP G OD1 2284 O OD2 . ASP A 301 ? 1.3745 1.4295 0.6431 -0.1178 0.1318 -0.2230 440 ASP G OD2 2285 N N . GLY A 302 ? 1.3312 1.4683 0.6111 -0.0279 0.0678 -0.1026 441 GLY G N 2286 C CA . GLY A 302 ? 1.3237 1.4560 0.5822 -0.0050 0.0604 -0.0696 441 GLY G CA 2287 C C . GLY A 302 ? 1.3198 1.4762 0.6248 0.0189 0.0445 -0.0446 441 GLY G C 2288 O O . GLY A 302 ? 1.2326 1.4173 0.5860 0.0178 0.0308 -0.0517 441 GLY G O 2289 N N . LYS A 303 ? 1.2661 1.4019 0.5599 0.0394 0.0479 -0.0150 442 LYS G N 2290 C CA . LYS A 303 ? 1.1631 1.3110 0.4956 0.0643 0.0335 0.0109 442 LYS G CA 2291 C C . LYS A 303 ? 1.1051 1.2251 0.4947 0.0677 0.0563 0.0129 442 LYS G C 2292 O O . LYS A 303 ? 1.1947 1.2757 0.5790 0.0685 0.0834 0.0201 442 LYS G O 2293 C CB . LYS A 303 ? 1.2212 1.3493 0.5235 0.0806 0.0268 0.0412 442 LYS G CB 2294 C CG . LYS A 303 ? 1.2306 1.3690 0.5687 0.1062 0.0095 0.0669 442 LYS G CG 2295 C CD . LYS A 303 ? 1.2592 1.3792 0.5642 0.1206 0.0010 0.0942 442 LYS G CD 2296 C CE . LYS A 303 ? 1.2494 1.3795 0.5904 0.1466 -0.0162 0.1166 442 LYS G CE 2297 N NZ . LYS A 303 ? 1.3146 1.4277 0.6241 0.1620 -0.0251 0.1424 442 LYS G NZ 2298 N N . ILE A 304 ? 1.0440 1.1857 0.4899 0.0680 0.0449 0.0064 443 ILE G N 2299 C CA . ILE A 304 ? 0.9517 1.0725 0.4543 0.0726 0.0599 0.0112 443 ILE G CA 2300 C C . ILE A 304 ? 0.9732 1.0982 0.4942 0.0955 0.0458 0.0379 443 ILE G C 2301 O O . ILE A 304 ? 1.0280 1.1876 0.5613 0.1045 0.0206 0.0417 443 ILE G O 2302 C CB . ILE A 304 ? 0.8924 1.0275 0.4424 0.0592 0.0585 -0.0107 443 ILE G CB 2303 C CG1 . ILE A 304 ? 0.8878 1.0155 0.4145 0.0363 0.0723 -0.0390 443 ILE G CG1 2304 C CG2 . ILE A 304 ? 0.8149 0.9278 0.4184 0.0641 0.0740 -0.0046 443 ILE G CG2 2305 C CD1 . ILE A 304 ? 0.8199 0.9573 0.3848 0.0215 0.0714 -0.0609 443 ILE G CD1 2306 N N . ASN A 305 ? 0.8976 0.9873 0.4207 0.1039 0.0637 0.0553 444 ASN G N 2307 C CA . ASN A 305 ? 0.8425 0.9254 0.3724 0.1247 0.0546 0.0808 444 ASN G CA 2308 C C . ASN A 305 ? 0.8829 0.9319 0.4453 0.1249 0.0757 0.0897 444 ASN G C 2309 O O . ASN A 305 ? 0.9850 1.0084 0.5422 0.1145 0.1005 0.0867 444 ASN G O 2310 C CB . ASN A 305 ? 1.0190 1.0930 0.4881 0.1383 0.0486 0.1010 444 ASN G CB 2311 C CG . ASN A 305 ? 1.0681 1.1195 0.5378 0.1600 0.0469 0.1288 444 ASN G CG 2312 O OD1 . ASN A 305 ? 1.0515 1.0611 0.5059 0.1603 0.0683 0.1421 444 ASN G OD1 2313 N ND2 . ASN A 305 ? 1.0342 1.1120 0.5230 0.1771 0.0233 0.1365 444 ASN G ND2 2314 N N . CYS A 306 ? 0.7759 0.8274 0.3724 0.1360 0.0662 0.0997 445 CYS G N 2315 C CA . CYS A 306 ? 0.8629 0.8846 0.4866 0.1355 0.0827 0.1090 445 CYS G CA 2316 C C . CYS A 306 ? 0.8610 0.8731 0.4857 0.1539 0.0719 0.1286 445 CYS G C 2317 O O . CYS A 306 ? 0.8237 0.8604 0.4704 0.1631 0.0532 0.1269 445 CYS G O 2318 C CB . CYS A 306 ? 0.7627 0.7938 0.4412 0.1225 0.0883 0.0927 445 CYS G CB 2319 S SG . CYS A 306 ? 2.1283 2.2006 1.8363 0.1205 0.0657 0.0753 445 CYS G SG 2320 N N . VAL A 307 ? 0.9585 0.9323 0.5577 0.1589 0.0861 0.1467 446 VAL G N 2321 C CA . VAL A 307 ? 0.8916 0.8441 0.4876 0.1759 0.0816 0.1655 446 VAL G CA 2322 C C . VAL A 307 ? 0.8769 0.8072 0.5109 0.1645 0.0961 0.1639 446 VAL G C 2323 O O . VAL A 307 ? 0.8654 0.7706 0.4972 0.1504 0.1176 0.1652 446 VAL G O 2324 C CB . VAL A 307 ? 0.9231 0.8406 0.4614 0.1889 0.0886 0.1883 446 VAL G CB 2325 C CG1 . VAL A 307 ? 0.8500 0.7487 0.3946 0.2068 0.0799 0.2022 446 VAL G CG1 2326 C CG2 . VAL A 307 ? 0.8212 0.7634 0.3258 0.1918 0.0745 0.1851 446 VAL G CG2 2327 N N . SER A 308 ? 0.6976 0.6400 0.3663 0.1695 0.0844 0.1603 447 SER G N 2328 C CA . SER A 308 ? 0.7824 0.7095 0.4870 0.1571 0.0944 0.1567 447 SER G CA 2329 C C . SER A 308 ? 0.7569 0.6549 0.4555 0.1697 0.0936 0.1699 447 SER G C 2330 O O . SER A 308 ? 0.7118 0.6116 0.3912 0.1917 0.0815 0.1795 447 SER G O 2331 C CB . SER A 308 ? 0.6792 0.6418 0.4309 0.1474 0.0847 0.1383 447 SER G CB 2332 O OG . SER A 308 ? 0.7193 0.7051 0.4737 0.1382 0.0856 0.1254 447 SER G OG 2333 N N . ASN A 309 ? 0.7113 0.5833 0.4265 0.1556 0.1072 0.1697 448 ASN G N 2334 C CA . ASN A 309 ? 0.7504 0.5931 0.4649 0.1626 0.1082 0.1767 448 ASN G CA 2335 C C . ASN A 309 ? 0.6284 0.4980 0.3836 0.1597 0.0954 0.1633 448 ASN G C 2336 O O . ASN A 309 ? 0.6696 0.5565 0.4578 0.1404 0.0966 0.1511 448 ASN G O 2337 C CB . ASN A 309 ? 0.8157 0.6155 0.5248 0.1443 0.1297 0.1813 448 ASN G CB 2338 C CG . ASN A 309 ? 1.0426 0.8009 0.7038 0.1489 0.1459 0.1983 448 ASN G CG 2339 O OD1 . ASN A 309 ? 0.9104 0.6612 0.5356 0.1718 0.1397 0.2114 448 ASN G OD1 2340 N ND2 . ASN A 309 ? 1.3797 1.1120 1.0402 0.1263 0.1669 0.1989 448 ASN G ND2 2341 N N . ILE A 310 ? 0.7074 0.5813 0.4604 0.1794 0.0840 0.1663 449 ILE G N 2342 C CA . ILE A 310 ? 0.7556 0.6437 0.5411 0.1752 0.0767 0.1550 449 ILE G CA 2343 C C . ILE A 310 ? 0.8186 0.6618 0.5999 0.1642 0.0910 0.1574 449 ILE G C 2344 O O . ILE A 310 ? 0.7889 0.5906 0.5410 0.1772 0.0999 0.1694 449 ILE G O 2345 C CB . ILE A 310 ? 0.7355 0.6452 0.5231 0.1992 0.0626 0.1561 449 ILE G CB 2346 C CG1 . ILE A 310 ? 0.6554 0.6128 0.4461 0.2064 0.0476 0.1523 449 ILE G CG1 2347 C CG2 . ILE A 310 ? 0.7255 0.6462 0.5436 0.1924 0.0586 0.1440 449 ILE G CG2 2348 C CD1 . ILE A 310 ? 0.6988 0.6828 0.4895 0.2319 0.0336 0.1562 449 ILE G CD1 2349 N N . THR A 311 ? 0.7071 0.5573 0.5160 0.1400 0.0935 0.1462 450 THR G N 2350 C CA . THR A 311 ? 0.7524 0.5641 0.5575 0.1234 0.1064 0.1460 450 THR G CA 2351 C C . THR A 311 ? 0.7352 0.5564 0.5637 0.1142 0.0992 0.1341 450 THR G C 2352 O O . THR A 311 ? 0.6873 0.4778 0.5107 0.0995 0.1078 0.1313 450 THR G O 2353 C CB . THR A 311 ? 0.6079 0.4176 0.4219 0.0985 0.1180 0.1447 450 THR G CB 2354 O OG1 . THR A 311 ? 0.5874 0.4443 0.4384 0.0882 0.1083 0.1344 450 THR G OG1 2355 C CG2 . THR A 311 ? 0.7183 0.5083 0.5012 0.1051 0.1301 0.1572 450 THR G CG2 2356 N N . GLY A 312 ? 0.6246 0.4865 0.4755 0.1210 0.0841 0.1265 451 GLY G N 2357 C CA . GLY A 312 ? 0.6622 0.5350 0.5324 0.1123 0.0772 0.1159 451 GLY G CA 2358 C C . GLY A 312 ? 0.6805 0.5904 0.5658 0.1260 0.0637 0.1105 451 GLY G C 2359 O O . GLY A 312 ? 0.5725 0.5094 0.4613 0.1362 0.0573 0.1121 451 GLY G O 2360 N N . ILE A 313 ? 0.6424 0.5534 0.5350 0.1241 0.0605 0.1031 452 ILE G N 2361 C CA . ILE A 313 ? 0.5494 0.4953 0.4577 0.1337 0.0501 0.0969 452 ILE G CA 2362 C C . ILE A 313 ? 0.5814 0.5405 0.5082 0.1152 0.0449 0.0870 452 ILE G C 2363 O O . ILE A 313 ? 0.5233 0.4587 0.4436 0.1021 0.0494 0.0841 452 ILE G O 2364 C CB . ILE A 313 ? 0.5625 0.4990 0.4582 0.1569 0.0531 0.0993 452 ILE G CB 2365 C CG1 . ILE A 313 ? 0.6596 0.5744 0.5312 0.1773 0.0588 0.1127 452 ILE G CG1 2366 C CG2 . ILE A 313 ? 0.5654 0.5464 0.4810 0.1663 0.0429 0.0930 452 ILE G CG2 2367 C CD1 . ILE A 313 ? 0.6232 0.5261 0.4833 0.2045 0.0629 0.1178 452 ILE G CD1 2368 N N . LEU A 314 ? 0.5522 0.5471 0.4992 0.1130 0.0357 0.0820 453 LEU G N 2369 C CA . LEU A 314 ? 0.5173 0.5245 0.4789 0.0981 0.0304 0.0750 453 LEU G CA 2370 C C . LEU A 314 ? 0.5111 0.5308 0.4741 0.1063 0.0291 0.0690 453 LEU G C 2371 O O . LEU A 314 ? 0.5184 0.5630 0.4885 0.1185 0.0261 0.0676 453 LEU G O 2372 C CB . LEU A 314 ? 0.5628 0.5949 0.5444 0.0894 0.0242 0.0741 453 LEU G CB 2373 C CG . LEU A 314 ? 0.6467 0.6729 0.6331 0.0812 0.0271 0.0792 453 LEU G CG 2374 C CD1 . LEU A 314 ? 0.6420 0.6912 0.6463 0.0793 0.0242 0.0777 453 LEU G CD1 2375 C CD2 . LEU A 314 ? 0.6723 0.6861 0.6618 0.0645 0.0269 0.0799 453 LEU G CD2 2376 N N . LEU A 315 ? 0.4116 0.4161 0.3675 0.0982 0.0319 0.0645 454 LEU G N 2377 C CA . LEU A 315 ? 0.4306 0.4444 0.3865 0.1058 0.0344 0.0581 454 LEU G CA 2378 C C . LEU A 315 ? 0.4588 0.4779 0.4176 0.0884 0.0315 0.0521 454 LEU G C 2379 O O . LEU A 315 ? 0.4466 0.4534 0.4011 0.0716 0.0279 0.0532 454 LEU G O 2380 C CB . LEU A 315 ? 0.4454 0.4287 0.3817 0.1185 0.0457 0.0581 454 LEU G CB 2381 C CG . LEU A 315 ? 0.4700 0.4423 0.3978 0.1402 0.0501 0.0667 454 LEU G CG 2382 C CD1 . LEU A 315 ? 0.4621 0.3949 0.3681 0.1525 0.0639 0.0669 454 LEU G CD1 2383 C CD2 . LEU A 315 ? 0.5018 0.5158 0.4465 0.1580 0.0434 0.0683 454 LEU G CD2 2384 N N . THR A 316 ? 0.4531 0.4930 0.4193 0.0924 0.0329 0.0464 455 THR G N 2385 C CA . THR A 316 ? 0.4355 0.4748 0.3971 0.0779 0.0336 0.0409 455 THR G CA 2386 C C . THR A 316 ? 0.4286 0.4660 0.3829 0.0878 0.0450 0.0337 455 THR G C 2387 O O . THR A 316 ? 0.4998 0.5587 0.4670 0.1053 0.0485 0.0325 455 THR G O 2388 C CB . THR A 316 ? 0.5147 0.5803 0.4924 0.0689 0.0272 0.0405 455 THR G CB 2389 O OG1 . THR A 316 ? 0.7223 0.8169 0.7152 0.0797 0.0299 0.0360 455 THR G OG1 2390 C CG2 . THR A 316 ? 0.3691 0.4371 0.3568 0.0633 0.0186 0.0474 455 THR G CG2 2391 N N . ARG A 317 ? 0.4678 0.4818 0.4018 0.0769 0.0510 0.0287 456 ARG G N 2392 C CA . ARG A 317 ? 0.4573 0.4637 0.3816 0.0863 0.0655 0.0207 456 ARG G CA 2393 C C . ARG A 317 ? 0.5415 0.5693 0.4703 0.0770 0.0689 0.0145 456 ARG G C 2394 O O . ARG A 317 ? 0.5290 0.5543 0.4496 0.0573 0.0623 0.0157 456 ARG G O 2395 C CB . ARG A 317 ? 0.4651 0.4264 0.3580 0.0790 0.0739 0.0164 456 ARG G CB 2396 C CG . ARG A 317 ? 0.4748 0.4200 0.3539 0.0899 0.0927 0.0069 456 ARG G CG 2397 C CD . ARG A 317 ? 0.6024 0.4980 0.4445 0.0760 0.1012 0.0000 456 ARG G CD 2398 N NE . ARG A 317 ? 0.6237 0.5168 0.4498 0.0469 0.0909 -0.0021 456 ARG G NE 2399 C CZ . ARG A 317 ? 0.7175 0.6117 0.5278 0.0348 0.0959 -0.0095 456 ARG G CZ 2400 N NH1 . ARG A 317 ? 0.6917 0.5903 0.5029 0.0483 0.1133 -0.0173 456 ARG G NH1 2401 N NH2 . ARG A 317 ? 0.6663 0.5586 0.4596 0.0100 0.0839 -0.0085 456 ARG G NH2 2402 N N . ASP A 318 ? 0.4356 0.4857 0.3781 0.0917 0.0796 0.0089 457 ASP G N 2403 C CA . ASP A 318 ? 0.4470 0.5191 0.3952 0.0823 0.0865 0.0021 457 ASP G CA 2404 C C . ASP A 318 ? 0.4714 0.5123 0.3871 0.0661 0.0956 -0.0038 457 ASP G C 2405 O O . ASP A 318 ? 0.5281 0.5385 0.4227 0.0715 0.1062 -0.0087 457 ASP G O 2406 C CB . ASP A 318 ? 0.4154 0.5220 0.3884 0.1024 0.0978 -0.0036 457 ASP G CB 2407 C CG . ASP A 318 ? 0.4972 0.6459 0.5023 0.1123 0.0866 0.0005 457 ASP G CG 2408 O OD1 . ASP A 318 ? 0.4831 0.6257 0.4876 0.1087 0.0727 0.0079 457 ASP G OD1 2409 O OD2 . ASP A 318 ? 0.4796 0.6697 0.5104 0.1231 0.0920 -0.0044 457 ASP G OD2 2410 N N . GLY A 319 ? 0.4780 0.5233 0.3861 0.0459 0.0923 -0.0032 458 GLY G N 2411 C CA . GLY A 319 ? 0.4555 0.4751 0.3291 0.0293 0.1003 -0.0083 458 GLY G CA 2412 C C . GLY A 319 ? 0.5121 0.5486 0.3890 0.0303 0.1196 -0.0179 458 GLY G C 2413 O O . GLY A 319 ? 0.5458 0.6170 0.4554 0.0449 0.1259 -0.0208 458 GLY G O 2414 N N . GLY A 320 ? 0.5586 0.5735 0.4017 0.0139 0.1289 -0.0229 459 GLY G N 2415 C CA . GLY A 320 ? 0.5175 0.5479 0.3613 0.0110 0.1493 -0.0318 459 GLY G CA 2416 C C . GLY A 320 ? 0.7698 0.7722 0.5827 0.0122 0.1703 -0.0442 459 GLY G C 2417 O O . GLY A 320 ? 0.6224 0.6004 0.4260 0.0243 0.1733 -0.0480 459 GLY G O 2418 N N . ALA A 321 ? 1.0044 1.0070 0.7989 -0.0013 0.1869 -0.0508 460 ALA G N 2419 C CA . ALA A 321 ? 1.2179 1.1917 0.9773 -0.0035 0.2102 -0.0643 460 ALA G CA 2420 C C . ALA A 321 ? 1.3126 1.3100 1.1032 0.0212 0.2352 -0.0755 460 ALA G C 2421 O O . ALA A 321 ? 1.3738 1.3778 1.1576 0.0175 0.2596 -0.0859 460 ALA G O 2422 C CB . ALA A 321 ? 1.2400 1.2011 0.9602 -0.0300 0.2178 -0.0656 460 ALA G CB 2423 N N . ASN A 322 ? 1.3224 1.3340 1.1474 0.0473 0.2297 -0.0726 461 ASN G N 2424 C CA . ASN A 322 ? 1.4715 1.5052 1.3273 0.0764 0.2510 -0.0807 461 ASN G CA 2425 C C . ASN A 322 ? 1.5787 1.5612 1.3987 0.0859 0.2717 -0.0916 461 ASN G C 2426 O O . ASN A 322 ? 1.6599 1.5952 1.4284 0.0636 0.2730 -0.0966 461 ASN G O 2427 C CB . ASN A 322 ? 1.4969 1.5650 1.3993 0.1019 0.2355 -0.0710 461 ASN G CB 2428 C CG . ASN A 322 ? 1.5893 1.6239 1.4754 0.1010 0.2130 -0.0608 461 ASN G CG 2429 O OD1 . ASN A 322 ? 1.5336 1.5691 1.4149 0.0819 0.1917 -0.0523 461 ASN G OD1 2430 N ND2 . ASN A 322 ? 1.6757 1.6791 1.5533 0.1220 0.2196 -0.0615 461 ASN G ND2 2431 N N . ASN A 323 ? 1.5007 1.4916 1.3465 0.1189 0.2879 -0.0953 462 ASN G N 2432 C CA . ASN A 323 ? 1.4700 1.4074 1.2821 0.1304 0.3122 -0.1068 462 ASN G CA 2433 C C . ASN A 323 ? 1.4751 1.4103 1.3143 0.1705 0.3179 -0.1022 462 ASN G C 2434 O O . ASN A 323 ? 1.5345 1.4273 1.3535 0.1866 0.3412 -0.1112 462 ASN G O 2435 C CB . ASN A 323 ? 1.4256 1.3654 1.2263 0.1269 0.3450 -0.1228 462 ASN G CB 2436 C CG . ASN A 323 ? 1.4803 1.3520 1.2253 0.1181 0.3625 -0.1363 462 ASN G CG 2437 O OD1 . ASN A 323 ? 1.5290 1.3474 1.2301 0.1042 0.3543 -0.1368 462 ASN G OD1 2438 N ND2 . ASN A 323 ? 1.5357 1.4120 1.2845 0.1237 0.3836 -0.1473 462 ASN G ND2 2439 N N . THR A 324 ? 1.4036 1.3820 1.2859 0.1862 0.2958 -0.0877 463 THR G N 2440 C CA . THR A 324 ? 1.3101 1.2913 1.2182 0.2260 0.2979 -0.0795 463 THR G CA 2441 C C . THR A 324 ? 1.1813 1.0931 1.0503 0.2264 0.2928 -0.0751 463 THR G C 2442 O O . THR A 324 ? 1.2102 1.0873 1.0430 0.1945 0.2797 -0.0759 463 THR G O 2443 C CB . THR A 324 ? 1.2856 1.3360 1.2472 0.2400 0.2741 -0.0655 463 THR G CB 2444 O OG1 . THR A 324 ? 1.2217 1.2733 1.1741 0.2112 0.2458 -0.0578 463 THR G OG1 2445 C CG2 . THR A 324 ? 1.2858 1.4085 1.2925 0.2441 0.2831 -0.0712 463 THR G CG2 2446 N N . SER A 325 ? 1.0664 0.9601 0.9445 0.2610 0.3017 -0.0693 464 SER G N 2447 C CA . SER A 325 ? 1.1287 0.9528 0.9697 0.2631 0.3016 -0.0650 464 SER G CA 2448 C C . SER A 325 ? 1.0741 0.9165 0.9344 0.2728 0.2752 -0.0460 464 SER G C 2449 O O . SER A 325 ? 1.1099 0.9139 0.9598 0.2920 0.2768 -0.0367 464 SER G O 2450 C CB . SER A 325 ? 1.2687 1.0553 1.1048 0.2853 0.3194 -0.0666 464 SER G CB 2451 O OG . SER A 325 ? 1.3882 1.1017 1.1841 0.2826 0.3223 -0.0635 464 SER G OG 2452 N N . ASN A 326 ? 1.0212 0.9205 0.9084 0.2563 0.2500 -0.0399 465 ASN G N 2453 C CA . ASN A 326 ? 0.9853 0.9037 0.8887 0.2604 0.2240 -0.0235 465 ASN G CA 2454 C C . ASN A 326 ? 0.9011 0.8342 0.8002 0.2230 0.2002 -0.0223 465 ASN G C 2455 O O . ASN A 326 ? 0.9304 0.8836 0.8295 0.1995 0.1995 -0.0308 465 ASN G O 2456 C CB . ASN A 326 ? 0.9701 0.9562 0.9238 0.2931 0.2170 -0.0135 465 ASN G CB 2457 C CG . ASN A 326 ? 1.0044 1.0582 0.9931 0.2843 0.2167 -0.0218 465 ASN G CG 2458 O OD1 . ASN A 326 ? 0.9816 1.0521 0.9686 0.2516 0.2044 -0.0258 465 ASN G OD1 2459 N ND2 . ASN A 326 ? 1.0177 1.1092 1.0393 0.3083 0.2274 -0.0238 465 ASN G ND2 2460 N N . GLU A 327 ? 0.7434 0.6639 0.6373 0.2187 0.1823 -0.0108 466 GLU G N 2461 C CA . GLU A 327 ? 0.6094 0.5473 0.5053 0.1893 0.1596 -0.0073 466 GLU G CA 2462 C C . GLU A 327 ? 0.6016 0.5882 0.5317 0.2028 0.1412 0.0048 466 GLU G C 2463 O O . GLU A 327 ? 0.6356 0.6212 0.5729 0.2300 0.1414 0.0144 466 GLU G O 2464 C CB . GLU A 327 ? 0.5954 0.4795 0.4559 0.1675 0.1549 -0.0063 466 GLU G CB 2465 C CG . GLU A 327 ? 0.7687 0.6036 0.5898 0.1485 0.1706 -0.0200 466 GLU G CG 2466 C CD . GLU A 327 ? 0.7408 0.5940 0.5550 0.1195 0.1646 -0.0278 466 GLU G CD 2467 O OE1 . GLU A 327 ? 0.6939 0.5896 0.5316 0.1105 0.1469 -0.0212 466 GLU G OE1 2468 O OE2 . GLU A 327 ? 0.7872 0.6089 0.5694 0.1054 0.1787 -0.0403 466 GLU G OE2 2469 N N . THR A 328 ? 0.4846 0.5109 0.4325 0.1836 0.1261 0.0046 467 THR G N 2470 C CA . THR A 328 ? 0.5215 0.5934 0.4983 0.1917 0.1091 0.0132 467 THR G CA 2471 C C . THR A 328 ? 0.5589 0.6184 0.5266 0.1714 0.0924 0.0195 467 THR G C 2472 O O . THR A 328 ? 0.6131 0.6603 0.5690 0.1454 0.0888 0.0159 467 THR G O 2473 C CB . THR A 328 ? 0.5441 0.6753 0.5529 0.1871 0.1071 0.0068 467 THR G CB 2474 O OG1 . THR A 328 ? 0.5556 0.7062 0.5793 0.2083 0.1236 0.0011 467 THR G OG1 2475 C CG2 . THR A 328 ? 0.4112 0.5878 0.4460 0.1916 0.0894 0.0131 467 THR G CG2 2476 N N . PHE A 329 ? 0.4542 0.5179 0.4268 0.1845 0.0829 0.0298 468 PHE G N 2477 C CA . PHE A 329 ? 0.4507 0.5042 0.4170 0.1681 0.0697 0.0359 468 PHE G CA 2478 C C . PHE A 329 ? 0.4304 0.5287 0.4198 0.1723 0.0560 0.0400 468 PHE G C 2479 O O . PHE A 329 ? 0.4491 0.5757 0.4520 0.1944 0.0543 0.0433 468 PHE G O 2480 C CB . PHE A 329 ? 0.6012 0.6069 0.5431 0.1741 0.0737 0.0436 468 PHE G CB 2481 C CG . PHE A 329 ? 0.5127 0.4694 0.4274 0.1635 0.0867 0.0374 468 PHE G CG 2482 C CD1 . PHE A 329 ? 0.5037 0.4385 0.4076 0.1812 0.1037 0.0333 468 PHE G CD1 2483 C CD2 . PHE A 329 ? 0.4794 0.4136 0.3794 0.1357 0.0821 0.0350 468 PHE G CD2 2484 C CE1 . PHE A 329 ? 0.6404 0.5263 0.5147 0.1689 0.1172 0.0251 468 PHE G CE1 2485 C CE2 . PHE A 329 ? 0.6039 0.4954 0.4762 0.1224 0.0927 0.0275 468 PHE G CE2 2486 C CZ . PHE A 329 ? 0.6147 0.4794 0.4719 0.1378 0.1109 0.0216 468 PHE G CZ 2487 N N . ARG A 330 ? 0.4566 0.5616 0.4497 0.1512 0.0463 0.0395 469 ARG G N 2488 C CA . ARG A 330 ? 0.4191 0.5614 0.4299 0.1503 0.0351 0.0403 469 ARG G CA 2489 C C . ARG A 330 ? 0.3951 0.5193 0.3973 0.1405 0.0282 0.0466 469 ARG G C 2490 O O . ARG A 330 ? 0.4351 0.5313 0.4272 0.1254 0.0293 0.0476 469 ARG G O 2491 C CB . ARG A 330 ? 0.3562 0.5294 0.3842 0.1339 0.0339 0.0309 469 ARG G CB 2492 C CG . ARG A 330 ? 0.3897 0.5864 0.4298 0.1410 0.0430 0.0235 469 ARG G CG 2493 C CD . ARG A 330 ? 0.3730 0.5907 0.4246 0.1197 0.0449 0.0146 469 ARG G CD 2494 N NE . ARG A 330 ? 0.3478 0.5790 0.4063 0.1229 0.0578 0.0072 469 ARG G NE 2495 C CZ . ARG A 330 ? 0.3005 0.5795 0.3852 0.1321 0.0608 0.0012 469 ARG G CZ 2496 N NH1 . ARG A 330 ? 0.2945 0.6128 0.3985 0.1376 0.0495 0.0015 469 ARG G NH1 2497 N NH2 . ARG A 330 ? 0.3367 0.6268 0.4283 0.1349 0.0752 -0.0057 469 ARG G NH2 2498 N N . PRO A 331 ? 0.4330 0.5757 0.4393 0.1490 0.0211 0.0506 470 PRO G N 2499 C CA . PRO A 331 ? 0.4327 0.5618 0.4321 0.1407 0.0169 0.0556 470 PRO G CA 2500 C C . PRO A 331 ? 0.4251 0.5537 0.4328 0.1184 0.0150 0.0508 470 PRO G C 2501 O O . PRO A 331 ? 0.4506 0.6042 0.4715 0.1106 0.0127 0.0435 470 PRO G O 2502 C CB . PRO A 331 ? 0.3991 0.5591 0.4024 0.1514 0.0096 0.0566 470 PRO G CB 2503 C CG . PRO A 331 ? 0.5140 0.6966 0.5227 0.1718 0.0094 0.0572 470 PRO G CG 2504 C CD . PRO A 331 ? 0.4059 0.5881 0.4241 0.1666 0.0165 0.0501 470 PRO G CD 2505 N N . GLY A 332 ? 0.4437 0.5450 0.4444 0.1084 0.0163 0.0554 471 GLY G N 2506 C CA . GLY A 332 ? 0.5733 0.6732 0.5824 0.0910 0.0140 0.0538 471 GLY G CA 2507 C C . GLY A 332 ? 0.6400 0.7374 0.6540 0.0865 0.0125 0.0576 471 GLY G C 2508 O O . GLY A 332 ? 0.6332 0.7384 0.6451 0.0940 0.0126 0.0581 471 GLY G O 2509 N N . GLY A 333 ? 0.6170 0.7049 0.6370 0.0748 0.0112 0.0606 472 GLY G N 2510 C CA . GLY A 333 ? 0.6854 0.7731 0.7148 0.0715 0.0119 0.0642 472 GLY G CA 2511 C C . GLY A 333 ? 0.6104 0.7062 0.6528 0.0650 0.0107 0.0621 472 GLY G C 2512 O O . GLY A 333 ? 0.6541 0.7544 0.6962 0.0609 0.0092 0.0582 472 GLY G O 2513 N N . GLY A 334 ? 0.4919 0.5871 0.5447 0.0643 0.0135 0.0647 473 GLY G N 2514 C CA . GLY A 334 ? 0.4348 0.5304 0.4991 0.0604 0.0148 0.0642 473 GLY G CA 2515 C C . GLY A 334 ? 0.5528 0.6450 0.6319 0.0586 0.0130 0.0739 473 GLY G C 2516 O O . GLY A 334 ? 0.5198 0.6110 0.6124 0.0608 0.0173 0.0761 473 GLY G O 2517 N N . ASN A 335 ? 0.5930 0.7521 0.6191 -0.0030 0.1159 0.0033 474 ASN G N 2518 C CA . ASN A 335 ? 0.4889 0.6259 0.5015 -0.0051 0.1089 0.0302 474 ASN G CA 2519 C C . ASN A 335 ? 0.4115 0.5444 0.4319 0.0165 0.0998 0.0387 474 ASN G C 2520 O O . ASN A 335 ? 0.4118 0.5474 0.4298 0.0230 0.0958 0.0355 474 ASN G O 2521 C CB . ASN A 335 ? 0.4846 0.6208 0.4784 -0.0225 0.1096 0.0324 474 ASN G CB 2522 C CG . ASN A 335 ? 0.6081 0.7261 0.5876 -0.0286 0.1001 0.0605 474 ASN G CG 2523 O OD1 . ASN A 335 ? 0.5538 0.6625 0.5438 -0.0155 0.0927 0.0771 474 ASN G OD1 2524 N ND2 . ASN A 335 ? 0.6953 0.8112 0.6517 -0.0495 0.1001 0.0646 474 ASN G ND2 2525 N N . ILE A 336 ? 0.3916 0.5153 0.4201 0.0258 0.0986 0.0485 475 ILE G N 2526 C CA . ILE A 336 ? 0.4063 0.5260 0.4398 0.0435 0.0934 0.0540 475 ILE G CA 2527 C C . ILE A 336 ? 0.5067 0.6175 0.5350 0.0432 0.0873 0.0710 475 ILE G C 2528 O O . ILE A 336 ? 0.4837 0.5910 0.5113 0.0541 0.0844 0.0731 475 ILE G O 2529 C CB . ILE A 336 ? 0.3692 0.4815 0.4127 0.0495 0.0974 0.0579 475 ILE G CB 2530 C CG1 . ILE A 336 ? 0.4831 0.6051 0.5307 0.0454 0.1042 0.0392 475 ILE G CG1 2531 C CG2 . ILE A 336 ? 0.3236 0.4332 0.3676 0.0645 0.0951 0.0599 475 ILE G CG2 2532 C CD1 . ILE A 336 ? 0.4272 0.5703 0.4752 0.0532 0.1007 0.0187 475 ILE G CD1 2533 N N . LYS A 337 ? 0.5482 0.6552 0.5704 0.0287 0.0850 0.0831 476 LYS G N 2534 C CA . LYS A 337 ? 0.5109 0.6151 0.5285 0.0249 0.0777 0.0971 476 LYS G CA 2535 C C . LYS A 337 ? 0.4924 0.5995 0.5002 0.0258 0.0780 0.0848 476 LYS G C 2536 O O . LYS A 337 ? 0.4702 0.5728 0.4765 0.0279 0.0746 0.0913 476 LYS G O 2537 C CB . LYS A 337 ? 0.5012 0.6030 0.5087 0.0071 0.0723 0.1114 476 LYS G CB 2538 C CG . LYS A 337 ? 0.5159 0.6089 0.5363 0.0095 0.0684 0.1301 476 LYS G CG 2539 C CD . LYS A 337 ? 0.4436 0.5312 0.4486 -0.0077 0.0592 0.1478 476 LYS G CD 2540 C CE . LYS A 337 ? 0.4503 0.5240 0.4708 -0.0019 0.0543 0.1674 476 LYS G CE 2541 N NZ . LYS A 337 ? 0.5102 0.5745 0.5121 -0.0173 0.0417 0.1891 476 LYS G NZ 2542 N N . ASP A 338 ? 0.3987 0.5130 0.4025 0.0242 0.0832 0.0657 477 ASP G N 2543 C CA . ASP A 338 ? 0.4354 0.5503 0.4350 0.0283 0.0845 0.0515 477 ASP G CA 2544 C C . ASP A 338 ? 0.5506 0.6563 0.5546 0.0488 0.0813 0.0518 477 ASP G C 2545 O O . ASP A 338 ? 0.4567 0.5515 0.4543 0.0523 0.0804 0.0503 477 ASP G O 2546 C CB . ASP A 338 ? 0.3519 0.4812 0.3553 0.0252 0.0915 0.0282 477 ASP G CB 2547 C CG . ASP A 338 ? 0.4754 0.6100 0.4655 0.0000 0.0976 0.0253 477 ASP G CG 2548 O OD1 . ASP A 338 ? 0.4314 0.5578 0.4057 -0.0139 0.0938 0.0397 477 ASP G OD1 2549 O OD2 . ASP A 338 ? 0.5456 0.6939 0.5395 -0.0076 0.1061 0.0082 477 ASP G OD2 2550 N N . ASN A 339 ? 0.4326 0.5400 0.4441 0.0603 0.0804 0.0535 478 ASN G N 2551 C CA . ASN A 339 ? 0.4507 0.5474 0.4590 0.0770 0.0772 0.0558 478 ASN G CA 2552 C C . ASN A 339 ? 0.4764 0.5574 0.4778 0.0740 0.0771 0.0717 478 ASN G C 2553 O O . ASN A 339 ? 0.4433 0.5085 0.4340 0.0812 0.0759 0.0730 478 ASN G O 2554 C CB . ASN A 339 ? 0.4705 0.5730 0.4842 0.0848 0.0777 0.0542 478 ASN G CB 2555 C CG . ASN A 339 ? 0.5853 0.7065 0.6072 0.0886 0.0769 0.0354 478 ASN G CG 2556 O OD1 . ASN A 339 ? 0.6387 0.7720 0.6669 0.0793 0.0800 0.0249 478 ASN G OD1 2557 N ND2 . ASN A 339 ? 0.4546 0.5803 0.4757 0.1002 0.0732 0.0296 478 ASN G ND2 2558 N N . TRP A 340 ? 0.4977 0.5828 0.5061 0.0630 0.0780 0.0840 479 TRP G N 2559 C CA . TRP A 340 ? 0.4444 0.5227 0.4533 0.0583 0.0779 0.0970 479 TRP G CA 2560 C C . TRP A 340 ? 0.5365 0.6108 0.5354 0.0468 0.0760 0.0959 479 TRP G C 2561 O O . TRP A 340 ? 0.5156 0.5793 0.5092 0.0443 0.0774 0.1002 479 TRP G O 2562 C CB . TRP A 340 ? 0.4284 0.5165 0.4552 0.0529 0.0771 0.1099 479 TRP G CB 2563 C CG . TRP A 340 ? 0.4622 0.5533 0.4999 0.0602 0.0807 0.1077 479 TRP G CG 2564 C CD1 . TRP A 340 ? 0.4700 0.5657 0.5203 0.0556 0.0795 0.1141 479 TRP G CD1 2565 C CD2 . TRP A 340 ? 0.4694 0.5565 0.5039 0.0716 0.0859 0.0983 479 TRP G CD2 2566 N NE1 . TRP A 340 ? 0.4859 0.5794 0.5431 0.0629 0.0861 0.1073 479 TRP G NE1 2567 C CE2 . TRP A 340 ? 0.5091 0.6001 0.5565 0.0719 0.0897 0.0967 479 TRP G CE2 2568 C CE3 . TRP A 340 ? 0.3877 0.4663 0.4068 0.0807 0.0868 0.0919 479 TRP G CE3 2569 C CZ2 . TRP A 340 ? 0.4454 0.5358 0.4917 0.0790 0.0955 0.0861 479 TRP G CZ2 2570 C CZ3 . TRP A 340 ? 0.4223 0.5012 0.4378 0.0886 0.0899 0.0839 479 TRP G CZ3 2571 C CH2 . TRP A 340 ? 0.4194 0.5061 0.4490 0.0868 0.0947 0.0796 479 TRP G CH2 2572 N N . ARG A 341 ? 0.4767 0.5587 0.4713 0.0373 0.0749 0.0884 480 ARG G N 2573 C CA . ARG A 341 ? 0.4037 0.4822 0.3863 0.0239 0.0754 0.0831 480 ARG G CA 2574 C C . ARG A 341 ? 0.4581 0.5173 0.4327 0.0341 0.0794 0.0723 480 ARG G C 2575 O O . ARG A 341 ? 0.5900 0.6372 0.5555 0.0252 0.0815 0.0715 480 ARG G O 2576 C CB . ARG A 341 ? 0.3730 0.4628 0.3492 0.0105 0.0767 0.0733 480 ARG G CB 2577 C CG . ARG A 341 ? 0.4879 0.5892 0.4633 -0.0041 0.0709 0.0878 480 ARG G CG 2578 C CD . ARG A 341 ? 0.4939 0.6019 0.4525 -0.0237 0.0736 0.0792 480 ARG G CD 2579 N NE . ARG A 341 ? 0.5038 0.6169 0.4550 -0.0385 0.0648 0.0980 480 ARG G NE 2580 C CZ . ARG A 341 ? 0.5983 0.7114 0.5491 -0.0407 0.0650 0.1038 480 ARG G CZ 2581 N NH1 . ARG A 341 ? 0.5820 0.6953 0.5409 -0.0313 0.0746 0.0893 480 ARG G NH1 2582 N NH2 . ARG A 341 ? 0.5847 0.6969 0.5266 -0.0527 0.0547 0.1243 480 ARG G NH2 2583 N N . SER A 342 ? 0.5552 0.6103 0.5330 0.0526 0.0796 0.0643 481 SER G N 2584 C CA . SER A 342 ? 0.5615 0.5955 0.5325 0.0667 0.0803 0.0561 481 SER G CA 2585 C C . SER A 342 ? 0.6021 0.6108 0.5605 0.0699 0.0808 0.0689 481 SER G C 2586 O O . SER A 342 ? 0.6169 0.5989 0.5639 0.0772 0.0820 0.0659 481 SER G O 2587 C CB . SER A 342 ? 0.5459 0.5870 0.5252 0.0867 0.0761 0.0463 481 SER G CB 2588 O OG . SER A 342 ? 0.6479 0.6895 0.6253 0.0953 0.0725 0.0569 481 SER G OG 2589 N N . GLU A 343 ? 0.4593 0.4746 0.4203 0.0641 0.0813 0.0825 482 GLU G N 2590 C CA . GLU A 343 ? 0.5663 0.5610 0.5160 0.0626 0.0852 0.0930 482 GLU G CA 2591 C C . GLU A 343 ? 0.4992 0.5015 0.4545 0.0419 0.0885 0.0993 482 GLU G C 2592 O O . GLU A 343 ? 0.5841 0.5686 0.5297 0.0347 0.0941 0.1036 482 GLU G O 2593 C CB . GLU A 343 ? 0.5944 0.5921 0.5448 0.0717 0.0859 0.1003 482 GLU G CB 2594 C CG . GLU A 343 ? 0.6174 0.6075 0.5578 0.0908 0.0805 0.0950 482 GLU G CG 2595 C CD . GLU A 343 ? 0.7168 0.6713 0.6321 0.1003 0.0787 0.0974 482 GLU G CD 2596 O OE1 . GLU A 343 ? 0.6859 0.6175 0.5852 0.0917 0.0856 0.1067 482 GLU G OE1 2597 O OE2 . GLU A 343 ? 0.6855 0.6344 0.5983 0.1164 0.0705 0.0901 482 GLU G OE2 2598 N N . LEU A 344 ? 0.4837 0.5126 0.4536 0.0313 0.0842 0.1002 483 LEU G N 2599 C CA . LEU A 344 ? 0.4859 0.5293 0.4643 0.0125 0.0826 0.1071 483 LEU G CA 2600 C C . LEU A 344 ? 0.4833 0.5250 0.4501 -0.0045 0.0819 0.0987 483 LEU G C 2601 O O . LEU A 344 ? 0.5049 0.5623 0.4763 -0.0227 0.0781 0.1030 483 LEU G O 2602 C CB . LEU A 344 ? 0.4155 0.4873 0.4155 0.0110 0.0755 0.1169 483 LEU G CB 2603 C CG . LEU A 344 ? 0.4456 0.5227 0.4634 0.0224 0.0787 0.1244 483 LEU G CG 2604 C CD1 . LEU A 344 ? 0.4614 0.5602 0.5014 0.0235 0.0715 0.1330 483 LEU G CD1 2605 C CD2 . LEU A 344 ? 0.4241 0.5013 0.4494 0.0151 0.0848 0.1286 483 LEU G CD2 2606 N N . TYR A 345 ? 0.5262 0.5508 0.4798 0.0012 0.0856 0.0851 484 TYR G N 2607 C CA . TYR A 345 ? 0.6416 0.6652 0.5842 -0.0152 0.0878 0.0724 484 TYR G CA 2608 C C . TYR A 345 ? 0.6981 0.7102 0.6314 -0.0342 0.0922 0.0708 484 TYR G C 2609 O O . TYR A 345 ? 0.6089 0.6321 0.5349 -0.0559 0.0913 0.0642 484 TYR G O 2610 C CB . TYR A 345 ? 0.6539 0.6602 0.5912 -0.0017 0.0936 0.0550 484 TYR G CB 2611 C CG . TYR A 345 ? 0.6579 0.6272 0.5870 0.0122 0.0991 0.0519 484 TYR G CG 2612 C CD1 . TYR A 345 ? 0.6117 0.5680 0.5412 0.0339 0.0960 0.0610 484 TYR G CD1 2613 C CD2 . TYR A 345 ? 0.6837 0.6275 0.6014 0.0027 0.1074 0.0400 484 TYR G CD2 2614 C CE1 . TYR A 345 ? 0.7192 0.6367 0.6352 0.0463 0.0989 0.0616 484 TYR G CE1 2615 C CE2 . TYR A 345 ? 0.8043 0.7067 0.7121 0.0162 0.1120 0.0394 484 TYR G CE2 2616 C CZ . TYR A 345 ? 0.7266 0.6152 0.6323 0.0384 0.1067 0.0519 484 TYR G CZ 2617 O OH . TYR A 345 ? 0.8104 0.6533 0.7005 0.0515 0.1093 0.0548 484 TYR G OH 2618 N N . LYS A 346 ? 0.6178 0.6073 0.5483 -0.0290 0.0976 0.0760 485 LYS G N 2619 C CA . LYS A 346 ? 0.6832 0.6569 0.6035 -0.0486 0.1048 0.0721 485 LYS G CA 2620 C C . LYS A 346 ? 0.6793 0.6821 0.6143 -0.0662 0.1004 0.0830 485 LYS G C 2621 O O . LYS A 346 ? 0.7665 0.7623 0.6969 -0.0852 0.1065 0.0796 485 LYS G O 2622 C CB . LYS A 346 ? 0.6757 0.6031 0.5807 -0.0371 0.1148 0.0717 485 LYS G CB 2623 C CG . LYS A 346 ? 0.7038 0.6268 0.6113 -0.0219 0.1146 0.0862 485 LYS G CG 2624 C CD . LYS A 346 ? 0.8267 0.6995 0.7103 -0.0166 0.1242 0.0888 485 LYS G CD 2625 C CE . LYS A 346 ? 0.7999 0.6378 0.6700 0.0038 0.1230 0.0812 485 LYS G CE 2626 N NZ . LYS A 346 ? 0.8435 0.6276 0.6868 0.0129 0.1286 0.0889 485 LYS G NZ 2627 N N . TYR A 347 ? 0.5684 0.6043 0.5240 -0.0598 0.0902 0.0948 486 TYR G N 2628 C CA . TYR A 347 ? 0.5659 0.6338 0.5449 -0.0711 0.0844 0.1051 486 TYR G CA 2629 C C . TYR A 347 ? 0.5916 0.6970 0.5814 -0.0831 0.0681 0.1106 486 TYR G C 2630 O O . TYR A 347 ? 0.7144 0.8230 0.6969 -0.0773 0.0617 0.1114 486 TYR G O 2631 C CB . TYR A 347 ? 0.5088 0.5828 0.5078 -0.0527 0.0863 0.1157 486 TYR G CB 2632 C CG . TYR A 347 ? 0.5748 0.6125 0.5577 -0.0423 0.1005 0.1135 486 TYR G CG 2633 C CD1 . TYR A 347 ? 0.5784 0.6043 0.5581 -0.0555 0.1120 0.1126 486 TYR G CD1 2634 C CD2 . TYR A 347 ? 0.5286 0.5443 0.4977 -0.0209 0.1017 0.1127 486 TYR G CD2 2635 C CE1 . TYR A 347 ? 0.5607 0.5482 0.5180 -0.0480 0.1245 0.1134 486 TYR G CE1 2636 C CE2 . TYR A 347 ? 0.5581 0.5397 0.5075 -0.0115 0.1112 0.1135 486 TYR G CE2 2637 C CZ . TYR A 347 ? 0.6161 0.5809 0.5567 -0.0253 0.1227 0.1150 486 TYR G CZ 2638 O OH . TYR A 347 ? 0.6113 0.5369 0.5249 -0.0179 0.1318 0.1184 486 TYR G OH 2639 N N . LYS A 348 ? 0.6216 0.7556 0.6278 -0.1009 0.0609 0.1148 487 LYS G N 2640 C CA . LYS A 348 ? 0.7109 0.8833 0.7306 -0.1095 0.0408 0.1256 487 LYS G CA 2641 C C . LYS A 348 ? 0.6865 0.8959 0.7429 -0.1165 0.0325 0.1338 487 LYS G C 2642 O O . LYS A 348 ? 0.7569 0.9656 0.8192 -0.1287 0.0430 0.1254 487 LYS G O 2643 C CB . LYS A 348 ? 0.8657 1.0396 0.8554 -0.1331 0.0349 0.1169 487 LYS G CB 2644 C CG . LYS A 348 ? 0.9488 1.1317 0.9331 -0.1613 0.0365 0.1062 487 LYS G CG 2645 C CD . LYS A 348 ? 0.9606 1.1522 0.9150 -0.1867 0.0279 0.0986 487 LYS G CD 2646 C CE . LYS A 348 ? 0.8303 1.0354 0.7795 -0.2182 0.0281 0.0866 487 LYS G CE 2647 N NZ . LYS A 348 ? 0.7790 0.9933 0.6944 -0.2461 0.0202 0.0775 487 LYS G NZ 2648 N N . VAL A 349 ? 0.6953 0.9363 0.7786 -0.1084 0.0142 0.1497 488 VAL G N 2649 C CA . VAL A 349 ? 0.6829 0.9654 0.8116 -0.1102 0.0039 0.1576 488 VAL G CA 2650 C C . VAL A 349 ? 0.6425 0.9600 0.7709 -0.1359 -0.0161 0.1590 488 VAL G C 2651 O O . VAL A 349 ? 0.5955 0.9155 0.6984 -0.1443 -0.0322 0.1657 488 VAL G O 2652 C CB . VAL A 349 ? 0.6718 0.9703 0.8361 -0.0854 -0.0073 0.1745 488 VAL G CB 2653 C CG1 . VAL A 349 ? 0.5600 0.9065 0.7794 -0.0851 -0.0197 0.1815 488 VAL G CG1 2654 C CG2 . VAL A 349 ? 0.7282 0.9960 0.8931 -0.0631 0.0131 0.1705 488 VAL G CG2 2655 N N . VAL A 350 ? 0.6464 0.9915 0.8008 -0.1510 -0.0143 0.1517 489 VAL G N 2656 C CA . VAL A 350 ? 0.6411 1.0286 0.8023 -0.1762 -0.0355 0.1523 489 VAL G CA 2657 C C . VAL A 350 ? 0.6220 1.0634 0.8472 -0.1720 -0.0474 0.1584 489 VAL G C 2658 O O . VAL A 350 ? 0.6433 1.0847 0.9022 -0.1580 -0.0300 0.1543 489 VAL G O 2659 C CB . VAL A 350 ? 0.6896 1.0628 0.8177 -0.2083 -0.0216 0.1308 489 VAL G CB 2660 C CG1 . VAL A 350 ? 0.7557 1.0801 0.8270 -0.2120 -0.0107 0.1224 489 VAL G CG1 2661 C CG2 . VAL A 350 ? 0.7149 1.0754 0.8595 -0.2113 0.0048 0.1169 489 VAL G CG2 2662 N N . GLN A 351 ? 0.6300 1.1192 0.8721 -0.1844 -0.0774 0.1676 490 GLN G N 2663 C CA . GLN A 351 ? 0.6023 1.1517 0.9124 -0.1799 -0.0932 0.1727 490 GLN G CA 2664 C C . GLN A 351 ? 0.6269 1.2151 0.9456 -0.2149 -0.0960 0.1560 490 GLN G C 2665 O O . GLN A 351 ? 0.7432 1.3369 1.0237 -0.2410 -0.1106 0.1535 490 GLN G O 2666 C CB . GLN A 351 ? 0.6051 1.1851 0.9377 -0.1629 -0.1307 0.1993 490 GLN G CB 2667 C CG . GLN A 351 ? 0.6025 1.2506 1.0122 -0.1555 -0.1524 0.2054 490 GLN G CG 2668 C CD . GLN A 351 ? 0.6619 1.3353 1.0886 -0.1387 -0.1939 0.2349 490 GLN G CD 2669 O OE1 . GLN A 351 ? 0.7138 1.3533 1.0876 -0.1379 -0.2061 0.2508 490 GLN G OE1 2670 N NE2 . GLN A 351 ? 0.6347 1.3674 1.1363 -0.1252 -0.2157 0.2425 490 GLN G NE2 2671 N N . ILE A 352 ? 0.6278 1.2429 0.9953 -0.2180 -0.0802 0.1427 491 ILE G N 2672 C CA . ILE A 352 ? 0.6833 1.3380 1.0650 -0.2533 -0.0797 0.1241 491 ILE G CA 2673 C C . ILE A 352 ? 0.7917 1.5215 1.2161 -0.2594 -0.1214 0.1349 491 ILE G C 2674 O O . ILE A 352 ? 0.7973 1.5768 1.2924 -0.2392 -0.1349 0.1429 491 ILE G O 2675 C CB . ILE A 352 ? 0.7000 1.3638 1.1230 -0.2573 -0.0485 0.1058 491 ILE G CB 2676 C CG1 . ILE A 352 ? 0.7448 1.3332 1.1243 -0.2482 -0.0107 0.0993 491 ILE G CG1 2677 C CG2 . ILE A 352 ? 0.7635 1.4625 1.1950 -0.2988 -0.0443 0.0839 491 ILE G CG2 2678 C CD1 . ILE A 352 ? 0.8120 1.4011 1.2205 -0.2551 0.0221 0.0828 491 ILE G CD1 2679 N N . GLU A 353 ? 0.8809 1.6189 1.2625 -0.2871 -0.1418 0.1345 492 GLU G N 2680 C CA . GLU A 353 ? 0.9240 1.7329 1.3345 -0.2984 -0.1852 0.1450 492 GLU G CA 2681 C C . GLU A 353 ? 0.9779 1.8081 1.4235 -0.2607 -0.2191 0.1771 492 GLU G C 2682 O O . GLU A 353 ? 0.9987 1.7827 1.4013 -0.2433 -0.2239 0.1956 492 GLU G O 2683 C CB . GLU A 353 ? 0.8734 1.7490 1.3478 -0.3185 -0.1839 0.1254 492 GLU G CB 2684 C CG . GLU A 353 ? 0.9293 1.7818 1.3695 -0.3590 -0.1500 0.0937 492 GLU G CG 2685 C CD . GLU A 353 ? 1.0618 1.9762 1.5682 -0.3789 -0.1418 0.0723 492 GLU G CD 2686 O OE1 . GLU A 353 ? 1.1079 2.0660 1.6887 -0.3528 -0.1479 0.0781 492 GLU G OE1 2687 O OE2 . GLU A 353 ? 1.1202 2.0300 1.6009 -0.4177 -0.1261 0.0472 492 GLU G OE2 2688 N N . GLN B 1 ? 0.8504 0.8504 1.0251 0.1763 -0.0494 0.1404 1 GLN H N 2689 C CA . GLN B 1 ? 0.7486 0.7453 0.8902 0.1557 -0.0611 0.1404 1 GLN H CA 2690 C C . GLN B 1 ? 0.5895 0.5587 0.7034 0.1396 -0.0503 0.1179 1 GLN H C 2691 O O . GLN B 1 ? 0.5511 0.4830 0.6572 0.1427 -0.0376 0.1100 1 GLN H O 2692 C CB . GLN B 1 ? 0.8544 0.8329 0.9861 0.1613 -0.0683 0.1626 1 GLN H CB 2693 C CG . GLN B 1 ? 1.0675 0.9960 1.2003 0.1734 -0.0531 0.1647 1 GLN H CG 2694 C CD . GLN B 1 ? 1.1411 1.0677 1.3069 0.1972 -0.0445 0.1693 1 GLN H CD 2695 O OE1 . GLN B 1 ? 1.1692 1.1352 1.3587 0.2043 -0.0488 0.1702 1 GLN H OE1 2696 N NE2 . GLN B 1 ? 1.1265 1.0074 1.2907 0.2051 -0.0317 0.1672 1 GLN H NE2 2697 N N . VAL B 2 ? 0.4738 0.4624 0.5745 0.1222 -0.0558 0.1072 2 VAL H N 2698 C CA . VAL B 2 ? 0.4520 0.4226 0.5300 0.1081 -0.0472 0.0882 2 VAL H CA 2699 C C . VAL B 2 ? 0.5036 0.4484 0.5541 0.0977 -0.0487 0.0903 2 VAL H C 2700 O O . VAL B 2 ? 0.4868 0.4412 0.5259 0.0919 -0.0597 0.1019 2 VAL H O 2701 C CB . VAL B 2 ? 0.4791 0.4768 0.5553 0.0946 -0.0514 0.0785 2 VAL H CB 2702 C CG1 . VAL B 2 ? 0.4010 0.3822 0.4559 0.0827 -0.0429 0.0624 2 VAL H CG1 2703 C CG2 . VAL B 2 ? 0.4847 0.5093 0.5909 0.1025 -0.0484 0.0778 2 VAL H CG2 2704 N N . ARG B 3 ? 0.5068 0.4215 0.5466 0.0946 -0.0374 0.0789 3 ARG H N 2705 C CA . ARG B 3 ? 0.4929 0.3851 0.5109 0.0827 -0.0370 0.0803 3 ARG H CA 2706 C C . ARG B 3 ? 0.5032 0.3862 0.5076 0.0701 -0.0294 0.0611 3 ARG H C 2707 O O . ARG B 3 ? 0.5046 0.3833 0.5141 0.0738 -0.0214 0.0471 3 ARG H O 2708 C CB . ARG B 3 ? 0.4584 0.3175 0.4810 0.0912 -0.0326 0.0920 3 ARG H CB 2709 C CG . ARG B 3 ? 0.4471 0.3156 0.4819 0.1046 -0.0414 0.1167 3 ARG H CG 2710 C CD . ARG B 3 ? 0.5164 0.3480 0.5519 0.1103 -0.0368 0.1325 3 ARG H CD 2711 N NE . ARG B 3 ? 0.6089 0.4527 0.6560 0.1251 -0.0462 0.1600 3 ARG H NE 2712 C CZ . ARG B 3 ? 0.7118 0.5511 0.7861 0.1468 -0.0436 0.1701 3 ARG H CZ 2713 N NH1 . ARG B 3 ? 0.7714 0.5912 0.8612 0.1556 -0.0300 0.1524 3 ARG H NH1 2714 N NH2 . ARG B 3 ? 0.5912 0.4474 0.6766 0.1605 -0.0543 0.1980 3 ARG H NH2 2715 N N . LEU B 4 ? 0.4513 0.3350 0.4382 0.0559 -0.0319 0.0613 4 LEU H N 2716 C CA . LEU B 4 ? 0.4318 0.3100 0.4080 0.0438 -0.0262 0.0467 4 LEU H CA 2717 C C . LEU B 4 ? 0.5504 0.4079 0.5169 0.0337 -0.0243 0.0527 4 LEU H C 2718 O O . LEU B 4 ? 0.4752 0.3382 0.4329 0.0293 -0.0283 0.0661 4 LEU H O 2719 C CB . LEU B 4 ? 0.4163 0.3206 0.3859 0.0364 -0.0291 0.0408 4 LEU H CB 2720 C CG . LEU B 4 ? 0.4049 0.3302 0.3858 0.0431 -0.0305 0.0366 4 LEU H CG 2721 C CD1 . LEU B 4 ? 0.4190 0.3629 0.3937 0.0349 -0.0330 0.0327 4 LEU H CD1 2722 C CD2 . LEU B 4 ? 0.4228 0.3445 0.4104 0.0486 -0.0226 0.0255 4 LEU H CD2 2723 N N . SER B 5 ? 0.5513 0.3859 0.5190 0.0289 -0.0177 0.0428 5 SER H N 2724 C CA . SER B 5 ? 0.5497 0.3625 0.5132 0.0173 -0.0147 0.0490 5 SER H CA 2725 C C . SER B 5 ? 0.5576 0.3744 0.5166 0.0013 -0.0118 0.0338 5 SER H C 2726 O O . SER B 5 ? 0.5189 0.3329 0.4797 0.0007 -0.0096 0.0162 5 SER H O 2727 C CB . SER B 5 ? 0.6179 0.3934 0.5914 0.0242 -0.0097 0.0533 5 SER H CB 2728 O OG . SER B 5 ? 0.6560 0.4088 0.6277 0.0124 -0.0064 0.0639 5 SER H OG 2729 N N . GLN B 6 ? 0.4831 0.3098 0.4361 -0.0111 -0.0117 0.0411 6 GLN H N 2730 C CA . GLN B 6 ? 0.5275 0.3692 0.4799 -0.0251 -0.0102 0.0295 6 GLN H CA 2731 C C . GLN B 6 ? 0.6116 0.4340 0.5694 -0.0415 -0.0059 0.0302 6 GLN H C 2732 O O . GLN B 6 ? 0.5469 0.3460 0.5062 -0.0433 -0.0028 0.0450 6 GLN H O 2733 C CB . GLN B 6 ? 0.4824 0.3548 0.4282 -0.0271 -0.0112 0.0349 6 GLN H CB 2734 C CG . GLN B 6 ? 0.4234 0.3144 0.3661 -0.0147 -0.0151 0.0321 6 GLN H CG 2735 C CD . GLN B 6 ? 0.5382 0.4539 0.4747 -0.0173 -0.0142 0.0338 6 GLN H CD 2736 O OE1 . GLN B 6 ? 0.5701 0.4939 0.4998 -0.0113 -0.0169 0.0383 6 GLN H OE1 2737 N NE2 . GLN B 6 ? 0.4747 0.4032 0.4145 -0.0264 -0.0103 0.0292 6 GLN H NE2 2738 N N . SER B 7 ? 0.5623 0.3964 0.5245 -0.0540 -0.0062 0.0155 7 SER H N 2739 C CA . SER B 7 ? 0.6128 0.4338 0.5841 -0.0735 -0.0031 0.0133 7 SER H CA 2740 C C . SER B 7 ? 0.5883 0.4237 0.5617 -0.0837 0.0013 0.0307 7 SER H C 2741 O O . SER B 7 ? 0.5452 0.4035 0.5103 -0.0757 0.0015 0.0403 7 SER H O 2742 C CB . SER B 7 ? 0.5911 0.4288 0.5669 -0.0843 -0.0072 -0.0081 7 SER H CB 2743 O OG . SER B 7 ? 0.6137 0.4920 0.5870 -0.0794 -0.0108 -0.0094 7 SER H OG 2744 N N . GLY B 8 ? 0.6519 0.4738 0.6366 -0.1024 0.0057 0.0334 8 GLY H N 2745 C CA . GLY B 8 ? 0.5982 0.4292 0.5859 -0.1130 0.0129 0.0527 8 GLY H CA 2746 C C . GLY B 8 ? 0.5766 0.4529 0.5694 -0.1198 0.0144 0.0514 8 GLY H C 2747 O O . GLY B 8 ? 0.6032 0.5039 0.6021 -0.1205 0.0087 0.0351 8 GLY H O 2748 N N . GLY B 9 ? 0.5862 0.4747 0.5765 -0.1237 0.0229 0.0699 9 GLY H N 2749 C CA . GLY B 9 ? 0.6036 0.5349 0.5992 -0.1271 0.0278 0.0708 9 GLY H CA 2750 C C . GLY B 9 ? 0.6323 0.5846 0.6538 -0.1462 0.0276 0.0616 9 GLY H C 2751 O O . GLY B 9 ? 0.6968 0.6271 0.7312 -0.1622 0.0257 0.0568 9 GLY H O 2752 N N . GLN B 10 ? 0.5570 0.5526 0.5880 -0.1448 0.0296 0.0587 10 GLN H N 2753 C CA . GLN B 10 ? 0.5991 0.6247 0.6578 -0.1613 0.0269 0.0501 10 GLN H CA 2754 C C . GLN B 10 ? 0.4771 0.5485 0.5522 -0.1639 0.0372 0.0595 10 GLN H C 2755 O O . GLN B 10 ? 0.4868 0.5733 0.5498 -0.1471 0.0439 0.0644 10 GLN H O 2756 C CB . GLN B 10 ? 0.5392 0.5774 0.5990 -0.1539 0.0131 0.0308 10 GLN H CB 2757 C CG . GLN B 10 ? 0.6298 0.6297 0.6797 -0.1559 0.0039 0.0171 10 GLN H CG 2758 C CD . GLN B 10 ? 0.6253 0.6444 0.6757 -0.1521 -0.0086 -0.0013 10 GLN H CD 2759 O OE1 . GLN B 10 ? 0.6183 0.6325 0.6519 -0.1334 -0.0124 -0.0061 10 GLN H OE1 2760 N NE2 . GLN B 10 ? 0.6880 0.7316 0.7581 -0.1706 -0.0152 -0.0110 10 GLN H NE2 2761 N N . MET B 11 ? 0.5367 0.6303 0.6413 -0.1856 0.0390 0.0605 11 MET H N 2762 C CA . MET B 11 ? 0.5223 0.6674 0.6511 -0.1886 0.0481 0.0676 11 MET H CA 2763 C C . MET B 11 ? 0.5343 0.7188 0.6875 -0.1912 0.0351 0.0538 11 MET H C 2764 O O . MET B 11 ? 0.5887 0.7683 0.7539 -0.2088 0.0228 0.0423 11 MET H O 2765 C CB . MET B 11 ? 0.5535 0.7038 0.7029 -0.2122 0.0610 0.0828 11 MET H CB 2766 C CG . MET B 11 ? 0.7937 0.9102 0.9183 -0.2099 0.0748 0.1012 11 MET H CG 2767 S SD . MET B 11 ? 1.7586 1.8964 1.8576 -0.1846 0.0896 0.1109 11 MET H SD 2768 C CE . MET B 11 ? 0.7138 0.9177 0.8524 -0.1912 0.1021 0.1142 11 MET H CE 2769 N N . LYS B 12 ? 0.4423 0.6655 0.6023 -0.1734 0.0376 0.0549 12 LYS H N 2770 C CA . LYS B 12 ? 0.4377 0.7030 0.6206 -0.1720 0.0248 0.0461 12 LYS H CA 2771 C C . LYS B 12 ? 0.5190 0.8426 0.7356 -0.1687 0.0347 0.0564 12 LYS H C 2772 O O . LYS B 12 ? 0.4547 0.7837 0.6703 -0.1610 0.0534 0.0678 12 LYS H O 2773 C CB . LYS B 12 ? 0.4154 0.6693 0.5753 -0.1484 0.0150 0.0372 12 LYS H CB 2774 C CG . LYS B 12 ? 0.4798 0.6909 0.6156 -0.1525 0.0020 0.0240 12 LYS H CG 2775 C CD . LYS B 12 ? 0.5415 0.7681 0.6943 -0.1741 -0.0131 0.0115 12 LYS H CD 2776 C CE . LYS B 12 ? 0.5785 0.7611 0.7057 -0.1767 -0.0234 -0.0044 12 LYS H CE 2777 N NZ . LYS B 12 ? 0.7178 0.9149 0.8574 -0.1988 -0.0384 -0.0207 12 LYS H NZ 2778 N N . LYS B 13 ? 0.4741 0.8434 0.7205 -0.1741 0.0220 0.0521 13 LYS H N 2779 C CA . LYS B 13 ? 0.4932 0.9245 0.7774 -0.1676 0.0291 0.0622 13 LYS H CA 2780 C C . LYS B 13 ? 0.4709 0.9220 0.7530 -0.1388 0.0233 0.0615 13 LYS H C 2781 O O . LYS B 13 ? 0.4334 0.8613 0.6917 -0.1313 0.0088 0.0520 13 LYS H O 2782 C CB . LYS B 13 ? 0.4769 0.9550 0.8032 -0.1949 0.0182 0.0612 13 LYS H CB 2783 C CG . LYS B 13 ? 0.5855 1.0483 0.9230 -0.2263 0.0255 0.0640 13 LYS H CG 2784 C CD . LYS B 13 ? 0.6153 1.1286 0.9989 -0.2505 0.0154 0.0623 13 LYS H CD 2785 C CE . LYS B 13 ? 0.6653 1.1500 1.0581 -0.2804 0.0214 0.0624 13 LYS H CE 2786 N NZ . LYS B 13 ? 0.7402 1.2658 1.1759 -0.2961 0.0148 0.0601 13 LYS H NZ 2787 N N . PRO B 14 ? 0.3873 0.8805 0.6955 -0.1217 0.0362 0.0725 14 PRO H N 2788 C CA . PRO B 14 ? 0.3291 0.8442 0.6432 -0.0942 0.0314 0.0750 14 PRO H CA 2789 C C . PRO B 14 ? 0.3421 0.8917 0.6719 -0.1009 0.0062 0.0718 14 PRO H C 2790 O O . PRO B 14 ? 0.3721 0.9688 0.7367 -0.1202 -0.0021 0.0739 14 PRO H O 2791 C CB . PRO B 14 ? 0.2818 0.8421 0.6314 -0.0800 0.0513 0.0879 14 PRO H CB 2792 C CG . PRO B 14 ? 0.3394 0.8796 0.6797 -0.0921 0.0717 0.0900 14 PRO H CG 2793 C CD . PRO B 14 ? 0.3773 0.8942 0.7076 -0.1240 0.0592 0.0840 14 PRO H CD 2794 N N . GLY B 15 ? 0.3272 0.8557 0.6311 -0.0862 -0.0058 0.0668 15 GLY H N 2795 C CA . GLY B 15 ? 0.4358 0.9949 0.7453 -0.0912 -0.0299 0.0634 15 GLY H CA 2796 C C . GLY B 15 ? 0.5120 1.0286 0.7854 -0.1087 -0.0444 0.0459 15 GLY H C 2797 O O . GLY B 15 ? 0.5167 1.0434 0.7780 -0.1070 -0.0624 0.0404 15 GLY H O 2798 N N . ASP B 16 ? 0.4262 0.8957 0.6818 -0.1242 -0.0357 0.0379 16 ASP H N 2799 C CA . ASP B 16 ? 0.4490 0.8728 0.6725 -0.1390 -0.0462 0.0212 16 ASP H CA 2800 C C . ASP B 16 ? 0.4601 0.8460 0.6468 -0.1170 -0.0471 0.0179 16 ASP H C 2801 O O . ASP B 16 ? 0.3913 0.7753 0.5750 -0.0927 -0.0371 0.0283 16 ASP H O 2802 C CB . ASP B 16 ? 0.4423 0.8233 0.6587 -0.1576 -0.0347 0.0180 16 ASP H CB 2803 C CG . ASP B 16 ? 0.4808 0.8930 0.7329 -0.1858 -0.0348 0.0194 16 ASP H CG 2804 O OD1 . ASP B 16 ? 0.5776 1.0414 0.8566 -0.1963 -0.0492 0.0169 16 ASP H OD1 2805 O OD2 . ASP B 16 ? 0.4613 0.8480 0.7151 -0.1983 -0.0209 0.0241 16 ASP H OD2 2806 N N . SER B 17 ? 0.4124 0.7679 0.5727 -0.1263 -0.0582 0.0026 17 SER H N 2807 C CA . SER B 17 ? 0.4255 0.7387 0.5511 -0.1093 -0.0564 -0.0014 17 SER H CA 2808 C C . SER B 17 ? 0.4468 0.7036 0.5531 -0.1190 -0.0487 -0.0092 17 SER H C 2809 O O . SER B 17 ? 0.5610 0.8093 0.6766 -0.1415 -0.0489 -0.0149 17 SER H O 2810 C CB . SER B 17 ? 0.4443 0.7683 0.5526 -0.1080 -0.0729 -0.0117 17 SER H CB 2811 O OG . SER B 17 ? 0.5227 0.9020 0.6489 -0.0980 -0.0815 -0.0009 17 SER H OG 2812 N N . MET B 18 ? 0.4898 0.7090 0.5719 -0.1024 -0.0418 -0.0079 18 MET H N 2813 C CA . MET B 18 ? 0.5402 0.7084 0.6044 -0.1079 -0.0357 -0.0127 18 MET H CA 2814 C C . MET B 18 ? 0.5358 0.6736 0.5732 -0.0972 -0.0398 -0.0219 18 MET H C 2815 O O . MET B 18 ? 0.3868 0.5372 0.4168 -0.0805 -0.0421 -0.0194 18 MET H O 2816 C CB . MET B 18 ? 0.5762 0.7296 0.6396 -0.0993 -0.0209 0.0003 18 MET H CB 2817 C CG . MET B 18 ? 0.5784 0.7382 0.6357 -0.0757 -0.0157 0.0074 18 MET H CG 2818 S SD . MET B 18 ? 0.7552 0.8782 0.7935 -0.0657 -0.0031 0.0135 18 MET H SD 2819 C CE . MET B 18 ? 1.0448 1.1275 1.0593 -0.0620 -0.0105 0.0047 18 MET H CE 2820 N N . ARG B 19 ? 0.5518 0.6497 0.5770 -0.1061 -0.0394 -0.0312 19 ARG H N 2821 C CA . ARG B 19 ? 0.5309 0.5980 0.5332 -0.0946 -0.0400 -0.0391 19 ARG H CA 2822 C C . ARG B 19 ? 0.4864 0.5091 0.4815 -0.0934 -0.0317 -0.0352 19 ARG H C 2823 O O . ARG B 19 ? 0.5445 0.5486 0.5468 -0.1087 -0.0291 -0.0355 19 ARG H O 2824 C CB . ARG B 19 ? 0.6047 0.6705 0.5973 -0.1042 -0.0497 -0.0586 19 ARG H CB 2825 C CG . ARG B 19 ? 0.6930 0.7305 0.6626 -0.0908 -0.0480 -0.0673 19 ARG H CG 2826 C CD . ARG B 19 ? 0.8397 0.8722 0.7961 -0.1015 -0.0554 -0.0901 19 ARG H CD 2827 N NE . ARG B 19 ? 0.9885 1.0676 0.9432 -0.1049 -0.0668 -0.0944 19 ARG H NE 2828 C CZ . ARG B 19 ? 1.1519 1.2518 1.1133 -0.1259 -0.0775 -0.1074 19 ARG H CZ 2829 N NH1 . ARG B 19 ? 1.2453 1.3189 1.2167 -0.1466 -0.0766 -0.1183 19 ARG H NH1 2830 N NH2 . ARG B 19 ? 1.0902 1.2381 1.0495 -0.1267 -0.0896 -0.1086 19 ARG H NH2 2831 N N . ILE B 20 ? 0.4341 0.4417 0.4169 -0.0755 -0.0277 -0.0298 20 ILE H N 2832 C CA . ILE B 20 ? 0.6010 0.5717 0.5770 -0.0715 -0.0219 -0.0243 20 ILE H CA 2833 C C . ILE B 20 ? 0.5619 0.5135 0.5249 -0.0574 -0.0224 -0.0306 20 ILE H C 2834 O O . ILE B 20 ? 0.4721 0.4415 0.4300 -0.0475 -0.0248 -0.0343 20 ILE H O 2835 C CB . ILE B 20 ? 0.6273 0.6025 0.6041 -0.0647 -0.0156 -0.0082 20 ILE H CB 2836 C CG1 . ILE B 20 ? 0.7973 0.7934 0.7713 -0.0493 -0.0156 -0.0057 20 ILE H CG1 2837 C CG2 . ILE B 20 ? 0.6937 0.6856 0.6833 -0.0782 -0.0116 -0.0009 20 ILE H CG2 2838 C CD1 . ILE B 20 ? 0.7653 0.7642 0.7372 -0.0433 -0.0094 0.0052 20 ILE H CD1 2839 N N . SER B 21 ? 0.4943 0.4111 0.4539 -0.0555 -0.0191 -0.0298 21 SER H N 2840 C CA . SER B 21 ? 0.5207 0.4199 0.4722 -0.0417 -0.0179 -0.0357 21 SER H CA 2841 C C . SER B 21 ? 0.5012 0.3877 0.4530 -0.0289 -0.0149 -0.0213 21 SER H C 2842 O O . SER B 21 ? 0.5627 0.4437 0.5170 -0.0326 -0.0136 -0.0082 21 SER H O 2843 C CB . SER B 21 ? 0.5379 0.4067 0.4874 -0.0484 -0.0167 -0.0508 21 SER H CB 2844 O OG . SER B 21 ? 0.5474 0.3867 0.5044 -0.0568 -0.0132 -0.0431 21 SER H OG 2845 N N . CYS B 22 ? 0.4989 0.3842 0.4478 -0.0143 -0.0140 -0.0234 22 CYS H N 2846 C CA . CYS B 22 ? 0.5094 0.3881 0.4612 -0.0021 -0.0132 -0.0111 22 CYS H CA 2847 C C . CYS B 22 ? 0.5580 0.4214 0.5118 0.0104 -0.0097 -0.0174 22 CYS H C 2848 O O . CYS B 22 ? 0.5461 0.4234 0.4976 0.0173 -0.0081 -0.0253 22 CYS H O 2849 C CB . CYS B 22 ? 0.4326 0.3381 0.3845 0.0032 -0.0152 -0.0044 22 CYS H CB 2850 S SG . CYS B 22 ? 0.6037 0.5096 0.5610 0.0168 -0.0167 0.0063 22 CYS H SG 2851 N N . ARG B 23 ? 0.5037 0.3389 0.4627 0.0144 -0.0073 -0.0126 23 ARG H N 2852 C CA . ARG B 23 ? 0.5412 0.3597 0.5053 0.0283 -0.0018 -0.0187 23 ARG H CA 2853 C C . ARG B 23 ? 0.5729 0.4025 0.5478 0.0439 -0.0031 -0.0039 23 ARG H C 2854 O O . ARG B 23 ? 0.5281 0.3557 0.5074 0.0449 -0.0076 0.0129 23 ARG H O 2855 C CB . ARG B 23 ? 0.4549 0.2330 0.4224 0.0259 0.0031 -0.0224 23 ARG H CB 2856 C CG . ARG B 23 ? 0.8167 0.5743 0.7916 0.0431 0.0112 -0.0292 23 ARG H CG 2857 C CD . ARG B 23 ? 0.9772 0.6885 0.9577 0.0413 0.0174 -0.0323 23 ARG H CD 2858 N NE . ARG B 23 ? 1.2087 0.9001 1.2026 0.0629 0.0256 -0.0298 23 ARG H NE 2859 C CZ . ARG B 23 ? 1.2424 0.9327 1.2519 0.0772 0.0240 -0.0058 23 ARG H CZ 2860 N NH1 . ARG B 23 ? 1.0736 0.7801 1.0823 0.0709 0.0144 0.0160 23 ARG H NH1 2861 N NH2 . ARG B 23 ? 1.3011 0.9763 1.3266 0.0986 0.0321 -0.0035 23 ARG H NH2 2862 N N . ALA B 24 ? 0.5326 0.3767 0.5119 0.0552 0.0006 -0.0097 24 ALA H N 2863 C CA . ALA B 24 ? 0.5950 0.4563 0.5890 0.0683 -0.0011 0.0030 24 ALA H CA 2864 C C . ALA B 24 ? 0.6354 0.4803 0.6442 0.0852 0.0057 0.0044 24 ALA H C 2865 O O . ALA B 24 ? 0.6970 0.5203 0.7023 0.0890 0.0150 -0.0102 24 ALA H O 2866 C CB . ALA B 24 ? 0.4598 0.3516 0.4544 0.0693 -0.0002 -0.0008 24 ALA H CB 2867 N N . SER B 25 ? 0.5957 0.4521 0.6216 0.0958 0.0011 0.0214 25 SER H N 2868 C CA . SER B 25 ? 0.5651 0.4129 0.6113 0.1153 0.0075 0.0265 25 SER H CA 2869 C C . SER B 25 ? 0.5115 0.3928 0.5791 0.1247 -0.0002 0.0439 25 SER H C 2870 O O . SER B 25 ? 0.4550 0.3589 0.5183 0.1144 -0.0116 0.0517 25 SER H O 2871 C CB . SER B 25 ? 0.6104 0.4190 0.6584 0.1191 0.0095 0.0331 25 SER H CB 2872 O OG . SER B 25 ? 0.6719 0.4820 0.7148 0.1106 -0.0018 0.0515 25 SER H OG 2873 N N . GLY B 26 ? 0.5237 0.4094 0.6155 0.1441 0.0063 0.0487 26 GLY H N 2874 C CA . GLY B 26 ? 0.5376 0.4582 0.6553 0.1536 -0.0022 0.0664 26 GLY H CA 2875 C C . GLY B 26 ? 0.4887 0.4475 0.6200 0.1529 0.0001 0.0618 26 GLY H C 2876 O O . GLY B 26 ? 0.5036 0.4955 0.6609 0.1591 -0.0067 0.0748 26 GLY H O 2877 N N . TYR B 27 ? 0.4937 0.4500 0.6088 0.1447 0.0094 0.0447 27 TYR H N 2878 C CA . TYR B 27 ? 0.4615 0.4511 0.5885 0.1431 0.0139 0.0422 27 TYR H CA 2879 C C . TYR B 27 ? 0.5527 0.5333 0.6625 0.1430 0.0296 0.0248 27 TYR H C 2880 O O . TYR B 27 ? 0.5818 0.5316 0.6689 0.1416 0.0345 0.0121 27 TYR H O 2881 C CB . TYR B 27 ? 0.3061 0.3162 0.4282 0.1250 0.0007 0.0466 27 TYR H CB 2882 C CG . TYR B 27 ? 0.4289 0.4211 0.5192 0.1094 -0.0005 0.0361 27 TYR H CG 2883 C CD1 . TYR B 27 ? 0.4612 0.4296 0.5321 0.1026 -0.0077 0.0364 27 TYR H CD1 2884 C CD2 . TYR B 27 ? 0.4191 0.4207 0.5011 0.1021 0.0060 0.0283 27 TYR H CD2 2885 C CE1 . TYR B 27 ? 0.3899 0.3472 0.4367 0.0889 -0.0083 0.0278 27 TYR H CE1 2886 C CE2 . TYR B 27 ? 0.4484 0.4380 0.5054 0.0900 0.0044 0.0209 27 TYR H CE2 2887 C CZ . TYR B 27 ? 0.4777 0.4465 0.5185 0.0834 -0.0029 0.0199 27 TYR H CZ 2888 O OH . TYR B 27 ? 0.4444 0.4060 0.4648 0.0719 -0.0040 0.0133 27 TYR H OH 2889 N N . GLU B 28 ? 0.4965 0.5055 0.6169 0.1435 0.0371 0.0248 28 GLU H N 2890 C CA . GLU B 28 ? 0.4895 0.4968 0.5910 0.1436 0.0516 0.0112 28 GLU H CA 2891 C C . GLU B 28 ? 0.5243 0.5250 0.5973 0.1257 0.0447 0.0058 28 GLU H C 2892 O O . GLU B 28 ? 0.4416 0.4612 0.5190 0.1156 0.0394 0.0133 28 GLU H O 2893 C CB . GLU B 28 ? 0.6389 0.6810 0.7627 0.1500 0.0633 0.0172 28 GLU H CB 2894 C CG . GLU B 28 ? 0.8960 0.9393 0.9996 0.1546 0.0813 0.0051 28 GLU H CG 2895 C CD . GLU B 28 ? 1.0485 1.0710 1.1453 0.1714 0.0952 -0.0092 28 GLU H CD 2896 O OE1 . GLU B 28 ? 1.1167 1.1323 1.2374 0.1843 0.0952 -0.0047 28 GLU H OE1 2897 O OE2 . GLU B 28 ? 1.1204 1.1335 1.1876 0.1720 0.1062 -0.0252 28 GLU H OE2 2898 N N . PHE B 29 ? 0.5150 0.4884 0.5613 0.1221 0.0451 -0.0075 29 PHE H N 2899 C CA . PHE B 29 ? 0.5079 0.4746 0.5303 0.1062 0.0368 -0.0118 29 PHE H CA 2900 C C . PHE B 29 ? 0.5602 0.5499 0.5748 0.1001 0.0397 -0.0097 29 PHE H C 2901 O O . PHE B 29 ? 0.5222 0.5164 0.5324 0.0889 0.0312 -0.0046 29 PHE H O 2902 C CB . PHE B 29 ? 0.5539 0.4925 0.5528 0.1039 0.0392 -0.0286 29 PHE H CB 2903 C CG . PHE B 29 ? 0.5238 0.4589 0.5022 0.0878 0.0303 -0.0330 29 PHE H CG 2904 C CD1 . PHE B 29 ? 0.5030 0.4367 0.4855 0.0779 0.0188 -0.0230 29 PHE H CD1 2905 C CD2 . PHE B 29 ? 0.5046 0.4406 0.4597 0.0830 0.0336 -0.0472 29 PHE H CD2 2906 C CE1 . PHE B 29 ? 0.5438 0.4775 0.5114 0.0646 0.0124 -0.0263 29 PHE H CE1 2907 C CE2 . PHE B 29 ? 0.4801 0.4182 0.4210 0.0689 0.0247 -0.0497 29 PHE H CE2 2908 C CZ . PHE B 29 ? 0.5066 0.4436 0.4558 0.0603 0.0149 -0.0389 29 PHE H CZ 2909 N N . GLN B 30 ? 0.4297 0.4335 0.4430 0.1086 0.0532 -0.0126 30 GLN H N 2910 C CA . GLN B 30 ? 0.5742 0.5979 0.5770 0.1041 0.0576 -0.0083 30 GLN H CA 2911 C C . GLN B 30 ? 0.4949 0.5405 0.5236 0.1015 0.0578 0.0086 30 GLN H C 2912 O O . GLN B 30 ? 0.5529 0.6127 0.5775 0.0977 0.0620 0.0161 30 GLN H O 2913 C CB . GLN B 30 ? 0.6374 0.6688 0.6233 0.1136 0.0731 -0.0176 30 GLN H CB 2914 C CG . GLN B 30 ? 0.7422 0.7898 0.7512 0.1271 0.0877 -0.0123 30 GLN H CG 2915 C CD . GLN B 30 ? 1.0115 1.0639 0.9992 0.1379 0.1052 -0.0249 30 GLN H CD 2916 O OE1 . GLN B 30 ? 1.0387 1.0794 0.9926 0.1346 0.1043 -0.0405 30 GLN H OE1 2917 N NE2 . GLN B 30 ? 1.1159 1.1880 1.1233 0.1502 0.1213 -0.0190 30 GLN H NE2 2918 N N . ASN B 31 ? 0.4147 0.4633 0.4706 0.1028 0.0527 0.0153 31 ASN H N 2919 C CA . ASN B 31 ? 0.4621 0.5322 0.5458 0.0979 0.0519 0.0287 31 ASN H CA 2920 C C . ASN B 31 ? 0.4124 0.4773 0.4964 0.0835 0.0388 0.0326 31 ASN H C 2921 O O . ASN B 31 ? 0.4350 0.5131 0.5374 0.0764 0.0392 0.0410 31 ASN H O 2922 C CB . ASN B 31 ? 0.5494 0.6324 0.6650 0.1055 0.0512 0.0340 31 ASN H CB 2923 C CG . ASN B 31 ? 0.6527 0.7497 0.7786 0.1207 0.0688 0.0334 31 ASN H CG 2924 O OD1 . ASN B 31 ? 0.7324 0.8316 0.8396 0.1242 0.0822 0.0292 31 ASN H OD1 2925 N ND2 . ASN B 31 ? 0.6039 0.7134 0.7597 0.1307 0.0693 0.0383 31 ASN H ND2 2926 N N . CYS B 32 ? 0.5389 0.5840 0.6036 0.0788 0.0286 0.0259 32 CYS H N 2927 C CA . CYS B 32 ? 0.5747 0.6144 0.6386 0.0669 0.0176 0.0277 32 CYS H CA 2928 C C . CYS B 32 ? 0.4373 0.4638 0.4762 0.0621 0.0156 0.0226 32 CYS H C 2929 O O . CYS B 32 ? 0.4725 0.4888 0.4936 0.0651 0.0162 0.0153 32 CYS H O 2930 C CB . CYS B 32 ? 0.5449 0.5796 0.6153 0.0652 0.0054 0.0278 32 CYS H CB 2931 S SG . CYS B 32 ? 0.6812 0.7317 0.7797 0.0763 0.0058 0.0339 32 CYS H SG 2932 N N . PRO B 33 ? 0.3742 0.4011 0.4141 0.0542 0.0134 0.0258 33 PRO H N 2933 C CA . PRO B 33 ? 0.3954 0.4137 0.4170 0.0504 0.0108 0.0226 33 PRO H CA 2934 C C . PRO B 33 ? 0.4070 0.4126 0.4186 0.0461 0.0018 0.0165 33 PRO H C 2935 O O . PRO B 33 ? 0.4357 0.4390 0.4547 0.0438 -0.0043 0.0171 33 PRO H O 2936 C CB . PRO B 33 ? 0.3465 0.3665 0.3783 0.0451 0.0124 0.0282 33 PRO H CB 2937 C CG . PRO B 33 ? 0.3671 0.3975 0.4204 0.0456 0.0183 0.0351 33 PRO H CG 2938 C CD . PRO B 33 ? 0.3662 0.4016 0.4271 0.0487 0.0148 0.0324 33 PRO H CD 2939 N N . ILE B 34 ? 0.4517 0.4519 0.4472 0.0444 0.0008 0.0120 34 ILE H N 2940 C CA . ILE B 34 ? 0.4391 0.4286 0.4262 0.0384 -0.0056 0.0086 34 ILE H CA 2941 C C . ILE B 34 ? 0.4281 0.4213 0.4123 0.0334 -0.0058 0.0096 34 ILE H C 2942 O O . ILE B 34 ? 0.4093 0.4114 0.3923 0.0354 -0.0022 0.0113 34 ILE H O 2943 C CB . ILE B 34 ? 0.5634 0.5433 0.5388 0.0381 -0.0062 0.0021 34 ILE H CB 2944 C CG1 . ILE B 34 ? 0.5988 0.5698 0.5790 0.0451 -0.0047 0.0009 34 ILE H CG1 2945 C CG2 . ILE B 34 ? 0.5896 0.5607 0.5579 0.0298 -0.0109 0.0012 34 ILE H CG2 2946 C CD1 . ILE B 34 ? 0.8812 0.8338 0.8521 0.0436 -0.0051 -0.0063 34 ILE H CD1 2947 N N . ASN B 35 ? 0.4127 0.4009 0.3958 0.0282 -0.0093 0.0092 35 ASN H N 2948 C CA . ASN B 35 ? 0.3891 0.3800 0.3705 0.0251 -0.0072 0.0087 35 ASN H CA 2949 C C . ASN B 35 ? 0.4502 0.4388 0.4215 0.0197 -0.0090 0.0069 35 ASN H C 2950 O O . ASN B 35 ? 0.4226 0.4030 0.3877 0.0168 -0.0128 0.0070 35 ASN H O 2951 C CB . ASN B 35 ? 0.3806 0.3684 0.3670 0.0225 -0.0072 0.0072 35 ASN H CB 2952 C CG . ASN B 35 ? 0.3788 0.3689 0.3799 0.0248 -0.0048 0.0096 35 ASN H CG 2953 O OD1 . ASN B 35 ? 0.4858 0.4756 0.4952 0.0264 0.0014 0.0115 35 ASN H OD1 2954 N ND2 . ASN B 35 ? 0.4306 0.4233 0.4377 0.0255 -0.0085 0.0111 35 ASN H ND2 2955 N N . TRP B 36 ? 0.4182 0.4147 0.3904 0.0188 -0.0053 0.0070 36 TRP H N 2956 C CA . TRP B 36 ? 0.4373 0.4356 0.4038 0.0127 -0.0050 0.0064 36 TRP H CA 2957 C C . TRP B 36 ? 0.4747 0.4752 0.4411 0.0127 0.0004 0.0050 36 TRP H C 2958 O O . TRP B 36 ? 0.4858 0.4917 0.4612 0.0182 0.0058 0.0051 36 TRP H O 2959 C CB . TRP B 36 ? 0.4257 0.4368 0.3956 0.0107 -0.0052 0.0067 36 TRP H CB 2960 C CG . TRP B 36 ? 0.4510 0.4572 0.4167 0.0088 -0.0098 0.0036 36 TRP H CG 2961 C CD1 . TRP B 36 ? 0.4406 0.4512 0.4061 0.0145 -0.0106 0.0023 36 TRP H CD1 2962 C CD2 . TRP B 36 ? 0.4355 0.4295 0.3958 0.0010 -0.0127 0.0006 36 TRP H CD2 2963 N NE1 . TRP B 36 ? 0.4460 0.4479 0.4046 0.0110 -0.0134 -0.0041 36 TRP H NE1 2964 C CE2 . TRP B 36 ? 0.4783 0.4678 0.4352 0.0026 -0.0149 -0.0054 36 TRP H CE2 2965 C CE3 . TRP B 36 ? 0.4667 0.4520 0.4244 -0.0072 -0.0123 0.0031 36 TRP H CE3 2966 C CZ2 . TRP B 36 ? 0.5025 0.4751 0.4553 -0.0036 -0.0166 -0.0112 36 TRP H CZ2 2967 C CZ3 . TRP B 36 ? 0.4635 0.4325 0.4186 -0.0138 -0.0143 0.0007 36 TRP H CZ3 2968 C CH2 . TRP B 36 ? 0.5519 0.5128 0.5054 -0.0119 -0.0164 -0.0074 36 TRP H CH2 2969 N N . ILE B 37 ? 0.4517 0.4466 0.4068 0.0074 -0.0001 0.0042 37 ILE H N 2970 C CA . ILE B 37 ? 0.4426 0.4390 0.3917 0.0067 0.0061 0.0002 37 ILE H CA 2971 C C . ILE B 37 ? 0.5031 0.5064 0.4451 0.0010 0.0102 0.0035 37 ILE H C 2972 O O . ILE B 37 ? 0.4728 0.4716 0.4082 -0.0048 0.0058 0.0090 37 ILE H O 2973 C CB . ILE B 37 ? 0.4574 0.4449 0.3948 0.0045 0.0016 -0.0042 37 ILE H CB 2974 C CG1 . ILE B 37 ? 0.5220 0.5047 0.4697 0.0073 -0.0043 -0.0046 37 ILE H CG1 2975 C CG2 . ILE B 37 ? 0.4637 0.4507 0.3937 0.0043 0.0091 -0.0135 37 ILE H CG2 2976 C CD1 . ILE B 37 ? 0.5580 0.5396 0.5200 0.0120 0.0017 -0.0082 37 ILE H CD1 2977 N N . ARG B 38 ? 0.4070 0.4210 0.3528 0.0029 0.0200 0.0013 38 ARG H N 2978 C CA . ARG B 38 ? 0.4821 0.5060 0.4227 -0.0032 0.0262 0.0054 38 ARG H CA 2979 C C . ARG B 38 ? 0.4633 0.4873 0.3878 -0.0025 0.0352 -0.0003 38 ARG H C 2980 O O . ARG B 38 ? 0.4608 0.4814 0.3863 0.0042 0.0406 -0.0098 38 ARG H O 2981 C CB . ARG B 38 ? 0.4261 0.4703 0.3873 -0.0024 0.0312 0.0090 38 ARG H CB 2982 C CG . ARG B 38 ? 0.4432 0.4984 0.4192 0.0088 0.0400 0.0057 38 ARG H CG 2983 C CD . ARG B 38 ? 0.4315 0.5135 0.4303 0.0092 0.0420 0.0123 38 ARG H CD 2984 N NE . ARG B 38 ? 0.4413 0.5368 0.4583 0.0225 0.0514 0.0127 38 ARG H NE 2985 C CZ . ARG B 38 ? 0.5228 0.6478 0.5636 0.0262 0.0536 0.0198 38 ARG H CZ 2986 N NH1 . ARG B 38 ? 0.4460 0.5899 0.4942 0.0146 0.0461 0.0248 38 ARG H NH1 2987 N NH2 . ARG B 38 ? 0.5216 0.6573 0.5808 0.0412 0.0629 0.0221 38 ARG H NH2 2988 N N . LEU B 39 ? 0.4421 0.4686 0.3508 -0.0099 0.0374 0.0056 39 LEU H N 2989 C CA . LEU B 39 ? 0.5425 0.5719 0.4289 -0.0106 0.0461 0.0010 39 LEU H CA 2990 C C . LEU B 39 ? 0.6409 0.6884 0.5296 -0.0139 0.0601 0.0073 39 LEU H C 2991 O O . LEU B 39 ? 0.5281 0.5803 0.4222 -0.0220 0.0589 0.0200 39 LEU H O 2992 C CB . LEU B 39 ? 0.7154 0.7354 0.5758 -0.0160 0.0366 0.0054 39 LEU H CB 2993 C CG . LEU B 39 ? 0.8775 0.8854 0.7333 -0.0139 0.0233 -0.0013 39 LEU H CG 2994 C CD1 . LEU B 39 ? 0.9308 0.9376 0.7612 -0.0184 0.0143 0.0058 39 LEU H CD1 2995 C CD2 . LEU B 39 ? 0.9270 0.9325 0.7820 -0.0095 0.0289 -0.0187 39 LEU H CD2 2996 N N . ALA B 40 ? 0.7322 0.7891 0.6186 -0.0077 0.0747 -0.0019 40 ALA H N 2997 C CA . ALA B 40 ? 0.7190 0.7963 0.6048 -0.0099 0.0910 0.0034 40 ALA H CA 2998 C C . ALA B 40 ? 0.7825 0.8585 0.6364 -0.0072 0.1021 -0.0078 40 ALA H C 2999 O O . ALA B 40 ? 0.6429 0.7078 0.4914 0.0005 0.1040 -0.0249 40 ALA H O 3000 C CB . ALA B 40 ? 0.7270 0.8243 0.6472 -0.0027 0.1011 0.0035 40 ALA H CB 3001 N N . PRO B 41 ? 0.9197 1.0060 0.7510 -0.0144 0.1096 0.0014 41 PRO H N 3002 C CA . PRO B 41 ? 0.9253 1.0137 0.7198 -0.0126 0.1207 -0.0099 41 PRO H CA 3003 C C . PRO B 41 ? 0.8671 0.9628 0.6714 -0.0008 0.1403 -0.0275 41 PRO H C 3004 O O . PRO B 41 ? 0.8135 0.9271 0.6494 0.0039 0.1526 -0.0216 41 PRO H O 3005 C CB . PRO B 41 ? 0.9613 1.0659 0.7387 -0.0217 0.1291 0.0093 41 PRO H CB 3006 C CG . PRO B 41 ? 0.9969 1.1104 0.8123 -0.0276 0.1284 0.0268 41 PRO H CG 3007 C CD . PRO B 41 ? 0.9231 1.0192 0.7614 -0.0254 0.1095 0.0228 41 PRO H CD 3008 N N . GLY B 42 ? 0.8383 0.9202 0.6179 0.0039 0.1429 -0.0495 42 GLY H N 3009 C CA . GLY B 42 ? 0.7667 0.8484 0.5544 0.0166 0.1630 -0.0689 42 GLY H CA 3010 C C . GLY B 42 ? 0.7908 0.8563 0.6145 0.0263 0.1585 -0.0762 42 GLY H C 3011 O O . GLY B 42 ? 0.7967 0.8572 0.6334 0.0391 0.1749 -0.0906 42 GLY H O 3012 N N . LYS B 43 ? 0.7272 0.7837 0.5670 0.0214 0.1377 -0.0654 43 LYS H N 3013 C CA . LYS B 43 ? 0.7298 0.7720 0.6009 0.0300 0.1328 -0.0689 43 LYS H CA 3014 C C . LYS B 43 ? 0.6377 0.6571 0.4995 0.0230 0.1125 -0.0737 43 LYS H C 3015 O O . LYS B 43 ? 0.5735 0.5929 0.4131 0.0121 0.0985 -0.0683 43 LYS H O 3016 C CB . LYS B 43 ? 0.7719 0.8331 0.6811 0.0332 0.1300 -0.0492 43 LYS H CB 3017 C CG . LYS B 43 ? 0.8610 0.9509 0.7890 0.0402 0.1493 -0.0430 43 LYS H CG 3018 C CD . LYS B 43 ? 0.9446 1.0517 0.9166 0.0487 0.1476 -0.0304 43 LYS H CD 3019 C CE . LYS B 43 ? 0.9207 1.0344 0.9015 0.0368 0.1274 -0.0150 43 LYS H CE 3020 N NZ . LYS B 43 ? 0.9595 1.0955 0.9793 0.0438 0.1242 -0.0036 43 LYS H NZ 3021 N N . ARG B 44 ? 0.6378 0.6387 0.5190 0.0300 0.1120 -0.0822 44 ARG H N 3022 C CA . ARG B 44 ? 0.5723 0.5550 0.4528 0.0235 0.0944 -0.0848 44 ARG H CA 3023 C C . ARG B 44 ? 0.6155 0.6079 0.5094 0.0194 0.0786 -0.0643 44 ARG H C 3024 O O . ARG B 44 ? 0.5982 0.6054 0.5136 0.0243 0.0816 -0.0507 44 ARG H O 3025 C CB . ARG B 44 ? 0.5635 0.5244 0.4671 0.0320 0.1000 -0.0947 44 ARG H CB 3026 C CG . ARG B 44 ? 0.8307 0.7833 0.7375 0.0434 0.1225 -0.1100 44 ARG H CG 3027 C CD . ARG B 44 ? 0.9005 0.8292 0.8369 0.0535 0.1287 -0.1137 44 ARG H CD 3028 N NE . ARG B 44 ? 0.8177 0.7202 0.7459 0.0426 0.1184 -0.1276 44 ARG H NE 3029 C CZ . ARG B 44 ? 0.6868 0.5624 0.6052 0.0405 0.1274 -0.1530 44 ARG H CZ 3030 N NH1 . ARG B 44 ? 0.7757 0.6447 0.6898 0.0510 0.1486 -0.1677 44 ARG H NH1 3031 N NH2 . ARG B 44 ? 0.7571 0.6128 0.6717 0.0275 0.1158 -0.1647 44 ARG H NH2 3032 N N . PRO B 45 ? 0.5176 0.5034 0.3995 0.0103 0.0618 -0.0629 45 PRO H N 3033 C CA . PRO B 45 ? 0.4852 0.4742 0.3820 0.0083 0.0483 -0.0473 45 PRO H CA 3034 C C . PRO B 45 ? 0.5235 0.5088 0.4505 0.0171 0.0510 -0.0434 45 PRO H C 3035 O O . PRO B 45 ? 0.5011 0.4723 0.4364 0.0214 0.0564 -0.0533 45 PRO H O 3036 C CB . PRO B 45 ? 0.5240 0.5045 0.4074 0.0005 0.0333 -0.0511 45 PRO H CB 3037 C CG . PRO B 45 ? 0.4399 0.4213 0.2922 -0.0050 0.0357 -0.0635 45 PRO H CG 3038 C CD . PRO B 45 ? 0.4261 0.4041 0.2797 0.0017 0.0546 -0.0763 45 PRO H CD 3039 N N . GLU B 46 ? 0.4240 0.4215 0.3664 0.0191 0.0473 -0.0293 46 GLU H N 3040 C CA . GLU B 46 ? 0.4501 0.4496 0.4179 0.0282 0.0495 -0.0232 46 GLU H CA 3041 C C . GLU B 46 ? 0.4746 0.4745 0.4483 0.0259 0.0369 -0.0142 46 GLU H C 3042 O O . GLU B 46 ? 0.4658 0.4753 0.4362 0.0209 0.0302 -0.0074 46 GLU H O 3043 C CB . GLU B 46 ? 0.4515 0.4722 0.4346 0.0347 0.0584 -0.0158 46 GLU H CB 3044 C CG . GLU B 46 ? 0.4886 0.5157 0.4975 0.0464 0.0606 -0.0073 46 GLU H CG 3045 C CD . GLU B 46 ? 0.5467 0.6013 0.5742 0.0533 0.0677 0.0010 46 GLU H CD 3046 O OE1 . GLU B 46 ? 0.4757 0.5465 0.4981 0.0458 0.0684 0.0020 46 GLU H OE1 3047 O OE2 . GLU B 46 ? 0.5505 0.6122 0.6000 0.0663 0.0728 0.0083 46 GLU H OE2 3048 N N . TRP B 47 ? 0.4258 0.4140 0.4088 0.0291 0.0354 -0.0149 47 TRP H N 3049 C CA . TRP B 47 ? 0.4071 0.3973 0.3970 0.0293 0.0269 -0.0064 47 TRP H CA 3050 C C . TRP B 47 ? 0.3721 0.3789 0.3755 0.0367 0.0287 0.0045 47 TRP H C 3051 O O . TRP B 47 ? 0.4217 0.4318 0.4390 0.0458 0.0371 0.0080 47 TRP H O 3052 C CB . TRP B 47 ? 0.4484 0.4236 0.4464 0.0297 0.0271 -0.0089 47 TRP H CB 3053 C CG . TRP B 47 ? 0.4112 0.3901 0.4173 0.0311 0.0218 0.0005 47 TRP H CG 3054 C CD1 . TRP B 47 ? 0.4481 0.4287 0.4484 0.0262 0.0130 0.0012 47 TRP H CD1 3055 C CD2 . TRP B 47 ? 0.3307 0.3129 0.3517 0.0394 0.0265 0.0114 47 TRP H CD2 3056 N NE1 . TRP B 47 ? 0.3935 0.3788 0.4032 0.0305 0.0132 0.0098 47 TRP H NE1 3057 C CE2 . TRP B 47 ? 0.4508 0.4376 0.4715 0.0380 0.0210 0.0169 47 TRP H CE2 3058 C CE3 . TRP B 47 ? 0.4573 0.4401 0.4921 0.0492 0.0355 0.0188 47 TRP H CE3 3059 C CZ2 . TRP B 47 ? 0.3936 0.3868 0.4235 0.0448 0.0245 0.0291 47 TRP H CZ2 3060 C CZ3 . TRP B 47 ? 0.4749 0.4635 0.5202 0.0564 0.0375 0.0332 47 TRP H CZ3 3061 C CH2 . TRP B 47 ? 0.4272 0.4217 0.4682 0.0535 0.0320 0.0380 47 TRP H CH2 3062 N N . MET B 48 ? 0.4099 0.4277 0.4094 0.0331 0.0207 0.0093 48 MET H N 3063 C CA . MET B 48 ? 0.3795 0.4179 0.3886 0.0376 0.0194 0.0178 48 MET H CA 3064 C C . MET B 48 ? 0.3915 0.4322 0.4040 0.0429 0.0162 0.0249 48 MET H C 3065 O O . MET B 48 ? 0.4048 0.4631 0.4260 0.0500 0.0164 0.0341 48 MET H O 3066 C CB . MET B 48 ? 0.3627 0.4125 0.3649 0.0284 0.0131 0.0163 48 MET H CB 3067 C CG . MET B 48 ? 0.3841 0.4354 0.3832 0.0226 0.0180 0.0128 48 MET H CG 3068 S SD . MET B 48 ? 0.4710 0.5317 0.4660 0.0092 0.0117 0.0132 48 MET H SD 3069 C CE . MET B 48 ? 0.4467 0.5398 0.4603 0.0116 0.0085 0.0186 48 MET H CE 3070 N N . GLY B 49 ? 0.3896 0.4159 0.3954 0.0398 0.0134 0.0220 49 GLY H N 3071 C CA . GLY B 49 ? 0.4655 0.4949 0.4731 0.0444 0.0125 0.0288 49 GLY H CA 3072 C C . GLY B 49 ? 0.4895 0.5100 0.4891 0.0397 0.0083 0.0241 49 GLY H C 3073 O O . GLY B 49 ? 0.4209 0.4336 0.4129 0.0332 0.0040 0.0168 49 GLY H O 3074 N N . TRP B 50 ? 0.4065 0.4292 0.4090 0.0440 0.0105 0.0300 50 TRP H N 3075 C CA . TRP B 50 ? 0.3688 0.3881 0.3660 0.0421 0.0079 0.0262 50 TRP H CA 3076 C C . TRP B 50 ? 0.4379 0.4701 0.4254 0.0463 0.0080 0.0284 50 TRP H C 3077 O O . TRP B 50 ? 0.3878 0.4341 0.3738 0.0511 0.0097 0.0362 50 TRP H O 3078 C CB . TRP B 50 ? 0.3201 0.3320 0.3300 0.0419 0.0116 0.0288 50 TRP H CB 3079 C CG . TRP B 50 ? 0.4089 0.4228 0.4321 0.0463 0.0199 0.0399 50 TRP H CG 3080 C CD1 . TRP B 50 ? 0.4170 0.4196 0.4547 0.0442 0.0244 0.0416 50 TRP H CD1 3081 C CD2 . TRP B 50 ? 0.3949 0.4210 0.4177 0.0529 0.0258 0.0512 50 TRP H CD2 3082 N NE1 . TRP B 50 ? 0.3764 0.3808 0.4258 0.0489 0.0330 0.0550 50 TRP H NE1 3083 C CE2 . TRP B 50 ? 0.3658 0.3866 0.4054 0.0547 0.0340 0.0626 50 TRP H CE2 3084 C CE3 . TRP B 50 ? 0.3794 0.4196 0.3878 0.0573 0.0256 0.0523 50 TRP H CE3 3085 C CZ2 . TRP B 50 ? 0.4415 0.4724 0.4842 0.0612 0.0422 0.0786 50 TRP H CZ2 3086 C CZ3 . TRP B 50 ? 0.5072 0.5597 0.5150 0.0638 0.0333 0.0658 50 TRP H CZ3 3087 C CH2 . TRP B 50 ? 0.4831 0.5319 0.5083 0.0660 0.0416 0.0807 50 TRP H CH2 3088 N N . MET B 51 ? 0.3875 0.4152 0.3677 0.0452 0.0062 0.0213 51 MET H N 3089 C CA . MET B 51 ? 0.3833 0.4201 0.3504 0.0486 0.0073 0.0185 51 MET H CA 3090 C C . MET B 51 ? 0.3591 0.3909 0.3299 0.0527 0.0125 0.0170 51 MET H C 3091 O O . MET B 51 ? 0.4068 0.4259 0.3831 0.0509 0.0102 0.0120 51 MET H O 3092 C CB . MET B 51 ? 0.3466 0.3813 0.3004 0.0425 0.0006 0.0069 51 MET H CB 3093 C CG . MET B 51 ? 0.4878 0.5321 0.4240 0.0438 0.0006 -0.0006 51 MET H CG 3094 S SD . MET B 51 ? 0.5141 0.5421 0.4442 0.0478 0.0062 -0.0121 51 MET H SD 3095 C CE . MET B 51 ? 0.4044 0.4064 0.3437 0.0410 0.0011 -0.0175 51 MET H CE 3096 N N . LYS B 52 ? 0.3410 0.3853 0.3101 0.0591 0.0202 0.0235 52 LYS H N 3097 C CA . LYS B 52 ? 0.4120 0.4571 0.3864 0.0645 0.0277 0.0229 52 LYS H CA 3098 C C . LYS B 52 ? 0.4420 0.4892 0.3955 0.0686 0.0304 0.0111 52 LYS H C 3099 O O . LYS B 52 ? 0.4658 0.5273 0.4017 0.0710 0.0329 0.0120 52 LYS H O 3100 C CB . LYS B 52 ? 0.4009 0.4588 0.3880 0.0684 0.0375 0.0380 52 LYS H CB 3101 C CG . LYS B 52 ? 0.4586 0.5099 0.4673 0.0629 0.0358 0.0465 52 LYS H CG 3102 C CD . LYS B 52 ? 0.4914 0.5518 0.5141 0.0650 0.0464 0.0627 52 LYS H CD 3103 C CE . LYS B 52 ? 0.4832 0.5317 0.5286 0.0576 0.0452 0.0669 52 LYS H CE 3104 N NZ . LYS B 52 ? 0.4425 0.4941 0.5035 0.0582 0.0563 0.0841 52 LYS H NZ 3105 N N . PRO B 53 A 0.4603 0.4926 0.4150 0.0698 0.0299 -0.0002 52 PRO H N 3106 C CA . PRO B 53 A 0.5120 0.5371 0.4475 0.0724 0.0324 -0.0163 52 PRO H CA 3107 C C . PRO B 53 A 0.5247 0.5651 0.4468 0.0812 0.0446 -0.0183 52 PRO H C 3108 O O . PRO B 53 A 0.5237 0.5625 0.4217 0.0812 0.0457 -0.0334 52 PRO H O 3109 C CB . PRO B 53 A 0.4781 0.4826 0.4276 0.0753 0.0324 -0.0215 52 PRO H CB 3110 C CG . PRO B 53 A 0.5330 0.5340 0.4999 0.0693 0.0238 -0.0109 52 PRO H CG 3111 C CD . PRO B 53 A 0.3986 0.4185 0.3734 0.0684 0.0259 0.0020 52 PRO H CD 3112 N N . ARG B 54 ? 0.5690 0.6246 0.5061 0.0874 0.0541 -0.0041 53 ARG H N 3113 C CA . ARG B 54 ? 0.5667 0.6394 0.4926 0.0966 0.0686 -0.0033 53 ARG H CA 3114 C C . ARG B 54 ? 0.6642 0.7513 0.5562 0.0954 0.0679 -0.0070 53 ARG H C 3115 O O . ARG B 54 ? 0.4974 0.5864 0.3642 0.0997 0.0739 -0.0226 53 ARG H O 3116 C CB . ARG B 54 ? 0.6124 0.7021 0.5627 0.0997 0.0781 0.0173 53 ARG H CB 3117 C CG . ARG B 54 ? 0.6476 0.7587 0.5876 0.1091 0.0957 0.0220 53 ARG H CG 3118 C CD . ARG B 54 ? 0.8978 1.0056 0.8424 0.1193 0.1070 0.0088 53 ARG H CD 3119 N NE . ARG B 54 ? 1.1607 1.2717 1.1461 0.1213 0.1102 0.0189 53 ARG H NE 3120 C CZ . ARG B 54 ? 1.2436 1.3754 1.2482 0.1293 0.1266 0.0278 53 ARG H CZ 3121 N NH1 . ARG B 54 ? 1.2204 1.3695 1.2037 0.1371 0.1434 0.0281 53 ARG H NH1 3122 N NH2 . ARG B 54 ? 1.2384 1.3768 1.2834 0.1292 0.1263 0.0368 53 ARG H NH2 3123 N N . TRP B 55 ? 0.4891 0.5870 0.3803 0.0902 0.0603 0.0071 54 TRP H N 3124 C CA . TRP B 55 ? 0.4904 0.6080 0.3523 0.0894 0.0565 0.0078 54 TRP H CA 3125 C C . TRP B 55 ? 0.5059 0.6199 0.3658 0.0798 0.0396 0.0038 54 TRP H C 3126 O O . TRP B 55 ? 0.4836 0.6173 0.3234 0.0778 0.0326 0.0051 54 TRP H O 3127 C CB . TRP B 55 ? 0.3880 0.5287 0.2520 0.0951 0.0646 0.0337 54 TRP H CB 3128 C CG . TRP B 55 ? 0.5304 0.6814 0.3957 0.1037 0.0830 0.0407 54 TRP H CG 3129 C CD1 . TRP B 55 ? 0.5529 0.7024 0.4499 0.1057 0.0934 0.0562 54 TRP H CD1 3130 C CD2 . TRP B 55 ? 0.5337 0.7009 0.3678 0.1108 0.0942 0.0322 54 TRP H CD2 3131 N NE1 . TRP B 55 ? 0.6046 0.7703 0.4956 0.1139 0.1112 0.0598 54 TRP H NE1 3132 C CE2 . TRP B 55 ? 0.5882 0.7643 0.4389 0.1182 0.1129 0.0450 54 TRP H CE2 3133 C CE3 . TRP B 55 ? 0.5011 0.6773 0.2945 0.1108 0.0904 0.0134 54 TRP H CE3 3134 C CZ2 . TRP B 55 ? 0.5806 0.7746 0.4076 0.1273 0.1299 0.0409 54 TRP H CZ2 3135 C CZ3 . TRP B 55 ? 0.5506 0.7424 0.3171 0.1192 0.1061 0.0068 54 TRP H CZ3 3136 C CH2 . TRP B 55 ? 0.5447 0.7453 0.3276 0.1283 0.1266 0.0210 54 TRP H CH2 3137 N N . GLY B 56 ? 0.4129 0.5054 0.2941 0.0739 0.0332 0.0003 55 GLY H N 3138 C CA . GLY B 56 ? 0.4629 0.5538 0.3468 0.0649 0.0198 -0.0014 55 GLY H CA 3139 C C . GLY B 56 ? 0.4810 0.5857 0.3784 0.0668 0.0180 0.0199 55 GLY H C 3140 O O . GLY B 56 ? 0.4089 0.5230 0.3061 0.0624 0.0086 0.0218 55 GLY H O 3141 N N . ALA B 57 ? 0.3535 0.4591 0.2651 0.0733 0.0280 0.0362 56 ALA H N 3142 C CA . ALA B 57 ? 0.4700 0.5811 0.3982 0.0758 0.0289 0.0563 56 ALA H CA 3143 C C . ALA B 57 ? 0.4754 0.5707 0.4211 0.0695 0.0218 0.0525 56 ALA H C 3144 O O . ALA B 57 ? 0.4764 0.5537 0.4286 0.0642 0.0197 0.0406 56 ALA H O 3145 C CB . ALA B 57 ? 0.3935 0.5023 0.3380 0.0806 0.0419 0.0717 56 ALA H CB 3146 N N . VAL B 58 ? 0.4290 0.5326 0.3820 0.0715 0.0188 0.0638 57 VAL H N 3147 C CA . VAL B 58 ? 0.4231 0.5150 0.3905 0.0667 0.0140 0.0596 57 VAL H CA 3148 C C . VAL B 58 ? 0.4449 0.5324 0.4324 0.0723 0.0200 0.0752 57 VAL H C 3149 O O . VAL B 58 ? 0.3812 0.4786 0.3718 0.0805 0.0257 0.0927 57 VAL H O 3150 C CB . VAL B 58 ? 0.4151 0.5217 0.3736 0.0623 0.0036 0.0521 57 VAL H CB 3151 C CG1 . VAL B 58 ? 0.4181 0.5177 0.3612 0.0536 -0.0019 0.0326 57 VAL H CG1 3152 C CG2 . VAL B 58 ? 0.3712 0.5079 0.3217 0.0691 0.0005 0.0650 57 VAL H CG2 3153 N N . ASN B 59 ? 0.3682 0.4395 0.3685 0.0681 0.0195 0.0687 58 ASN H N 3154 C CA . ASN B 59 ? 0.3486 0.4114 0.3677 0.0732 0.0257 0.0784 58 ASN H CA 3155 C C . ASN B 59 ? 0.4070 0.4682 0.4293 0.0700 0.0218 0.0688 58 ASN H C 3156 O O . ASN B 59 ? 0.3898 0.4360 0.4102 0.0619 0.0202 0.0553 58 ASN H O 3157 C CB . ASN B 59 ? 0.3759 0.4154 0.4088 0.0701 0.0335 0.0782 58 ASN H CB 3158 C CG . ASN B 59 ? 0.4151 0.4408 0.4680 0.0757 0.0424 0.0883 58 ASN H CG 3159 O OD1 . ASN B 59 ? 0.3863 0.4125 0.4447 0.0804 0.0429 0.0882 58 ASN H OD1 3160 N ND2 . ASN B 59 ? 0.3684 0.3810 0.4347 0.0751 0.0509 0.0968 58 ASN H ND2 3161 N N . TYR B 60 ? 0.3885 0.4687 0.4159 0.0766 0.0203 0.0770 59 TYR H N 3162 C CA . TYR B 60 ? 0.3635 0.4482 0.3960 0.0738 0.0182 0.0692 59 TYR H CA 3163 C C . TYR B 60 ? 0.4861 0.5555 0.5370 0.0807 0.0287 0.0719 59 TYR H C 3164 O O . TYR B 60 ? 0.3877 0.4524 0.4518 0.0913 0.0361 0.0858 59 TYR H O 3165 C CB . TYR B 60 ? 0.4049 0.5239 0.4370 0.0762 0.0103 0.0753 59 TYR H CB 3166 C CG . TYR B 60 ? 0.4758 0.6085 0.4878 0.0676 -0.0002 0.0679 59 TYR H CG 3167 C CD1 . TYR B 60 ? 0.4222 0.5365 0.4210 0.0564 -0.0026 0.0519 59 TYR H CD1 3168 C CD2 . TYR B 60 ? 0.4925 0.6566 0.4983 0.0714 -0.0076 0.0767 59 TYR H CD2 3169 C CE1 . TYR B 60 ? 0.4540 0.5757 0.4352 0.0494 -0.0102 0.0429 59 TYR H CE1 3170 C CE2 . TYR B 60 ? 0.4387 0.6133 0.4234 0.0626 -0.0165 0.0659 59 TYR H CE2 3171 C CZ . TYR B 60 ? 0.4878 0.6386 0.4609 0.0518 -0.0168 0.0481 59 TYR H CZ 3172 O OH . TYR B 60 ? 0.4644 0.6208 0.4174 0.0439 -0.0238 0.0352 59 TYR H OH 3173 N N . ALA B 61 ? 0.3856 0.4457 0.4364 0.0749 0.0304 0.0588 60 ALA H N 3174 C CA . ALA B 61 ? 0.4276 0.4736 0.4928 0.0815 0.0417 0.0570 60 ALA H CA 3175 C C . ALA B 61 ? 0.4377 0.5053 0.5219 0.0962 0.0459 0.0723 60 ALA H C 3176 O O . ALA B 61 ? 0.3905 0.4892 0.4756 0.0963 0.0386 0.0768 60 ALA H O 3177 C CB . ALA B 61 ? 0.3918 0.4315 0.4484 0.0728 0.0427 0.0407 60 ALA H CB 3178 N N . ARG B 62 ? 0.4082 0.4596 0.5098 0.1085 0.0575 0.0808 61 ARG H N 3179 C CA . ARG B 62 ? 0.3948 0.4659 0.5182 0.1263 0.0621 0.1003 61 ARG H CA 3180 C C . ARG B 62 ? 0.5144 0.6137 0.6482 0.1302 0.0622 0.0983 61 ARG H C 3181 O O . ARG B 62 ? 0.3927 0.5277 0.5395 0.1397 0.0571 0.1144 61 ARG H O 3182 C CB . ARG B 62 ? 0.5209 0.5606 0.6640 0.1390 0.0779 0.1069 61 ARG H CB 3183 C CG . ARG B 62 ? 0.7724 0.7944 0.9161 0.1396 0.0794 0.1202 61 ARG H CG 3184 C CD . ARG B 62 ? 1.0990 1.0938 1.2687 0.1550 0.0957 0.1331 61 ARG H CD 3185 N NE . ARG B 62 ? 1.2672 1.2434 1.4399 0.1539 0.0991 0.1478 61 ARG H NE 3186 C CZ . ARG B 62 ? 1.1854 1.1277 1.3559 0.1403 0.1036 0.1347 61 ARG H CZ 3187 N NH1 . ARG B 62 ? 0.7543 0.6843 0.9313 0.1391 0.1079 0.1511 61 ARG H NH1 3188 N NH2 . ARG B 62 ? 1.2294 1.1532 1.3913 0.1272 0.1034 0.1063 61 ARG H NH2 3189 N N . GLN B 63 ? 0.4071 0.4941 0.5352 0.1225 0.0678 0.0793 62 GLN H N 3190 C CA . GLN B 63 ? 0.4072 0.5204 0.5479 0.1263 0.0718 0.0777 62 GLN H CA 3191 C C . GLN B 63 ? 0.3890 0.5375 0.5215 0.1133 0.0570 0.0776 62 GLN H C 3192 O O . GLN B 63 ? 0.4884 0.6660 0.6344 0.1137 0.0584 0.0785 62 GLN H O 3193 C CB . GLN B 63 ? 0.4490 0.5378 0.5831 0.1225 0.0848 0.0578 62 GLN H CB 3194 C CG . GLN B 63 ? 0.5017 0.5760 0.6062 0.1022 0.0775 0.0407 62 GLN H CG 3195 C CD . GLN B 63 ? 0.5436 0.5815 0.6337 0.0961 0.0760 0.0327 62 GLN H CD 3196 O OE1 . GLN B 63 ? 0.5544 0.5803 0.6548 0.1036 0.0773 0.0423 62 GLN H OE1 3197 N NE2 . GLN B 63 ? 0.4518 0.4744 0.5196 0.0821 0.0730 0.0168 62 GLN H NE2 3198 N N . LEU B 64 ? 0.3910 0.5365 0.5035 0.1015 0.0440 0.0758 63 LEU H N 3199 C CA . LEU B 64 ? 0.4431 0.6153 0.5465 0.0878 0.0300 0.0732 63 LEU H CA 3200 C C . LEU B 64 ? 0.7138 0.9120 0.8167 0.0912 0.0177 0.0864 63 LEU H C 3201 O O . LEU B 64 ? 0.7592 0.9743 0.8500 0.0785 0.0050 0.0813 63 LEU H O 3202 C CB . LEU B 64 ? 0.4229 0.5700 0.5008 0.0707 0.0253 0.0574 63 LEU H CB 3203 C CG . LEU B 64 ? 0.5180 0.6463 0.5894 0.0637 0.0336 0.0446 63 LEU H CG 3204 C CD1 . LEU B 64 ? 0.5172 0.6201 0.5648 0.0508 0.0277 0.0341 63 LEU H CD1 3205 C CD2 . LEU B 64 ? 0.4600 0.6162 0.5422 0.0580 0.0347 0.0445 63 LEU H CD2 3206 N N . GLN B 65 ? 0.7140 0.9141 0.8288 0.1081 0.0221 0.1032 64 GLN H N 3207 C CA . GLN B 65 ? 0.7766 1.0002 0.8857 0.1127 0.0115 0.1180 64 GLN H CA 3208 C C . GLN B 65 ? 0.5723 0.8466 0.6881 0.1092 -0.0025 0.1228 64 GLN H C 3209 O O . GLN B 65 ? 0.3894 0.6904 0.5308 0.1161 -0.0005 0.1296 64 GLN H O 3210 C CB . GLN B 65 ? 0.9675 1.1846 1.0919 0.1333 0.0207 0.1398 64 GLN H CB 3211 C CG . GLN B 65 ? 1.1103 1.3450 1.2218 0.1379 0.0122 0.1567 64 GLN H CG 3212 C CD . GLN B 65 ? 1.1360 1.3500 1.2175 0.1238 0.0084 0.1436 64 GLN H CD 3213 O OE1 . GLN B 65 ? 1.1258 1.3036 1.2014 0.1153 0.0153 0.1281 64 GLN H OE1 3214 N NE2 . GLN B 65 ? 1.1088 1.3484 1.1712 0.1219 -0.0024 0.1498 64 GLN H NE2 3215 N N . GLY B 66 ? 0.5754 0.8640 0.6689 0.0979 -0.0166 0.1179 65 GLY H N 3216 C CA . GLY B 66 ? 0.5398 0.8771 0.6363 0.0911 -0.0326 0.1195 65 GLY H CA 3217 C C . GLY B 66 ? 0.4879 0.8287 0.5837 0.0698 -0.0381 0.0991 65 GLY H C 3218 O O . GLY B 66 ? 0.4959 0.8710 0.5898 0.0575 -0.0529 0.0941 65 GLY H O 3219 N N . ARG B 67 ? 0.4120 0.7178 0.5090 0.0646 -0.0263 0.0876 66 ARG H N 3220 C CA . ARG B 67 ? 0.3993 0.7048 0.4975 0.0454 -0.0283 0.0721 66 ARG H CA 3221 C C . ARG B 67 ? 0.3899 0.6588 0.4599 0.0299 -0.0307 0.0545 66 ARG H C 3222 O O . ARG B 67 ? 0.3573 0.6269 0.4246 0.0119 -0.0360 0.0424 66 ARG H O 3223 C CB . ARG B 67 ? 0.4450 0.7401 0.5617 0.0497 -0.0129 0.0725 66 ARG H CB 3224 C CG . ARG B 67 ? 0.5284 0.8610 0.6789 0.0642 -0.0077 0.0875 66 ARG H CG 3225 C CD . ARG B 67 ? 0.5499 0.8684 0.7125 0.0665 0.0098 0.0830 66 ARG H CD 3226 N NE . ARG B 67 ? 0.5776 0.8944 0.7338 0.0448 0.0084 0.0704 66 ARG H NE 3227 C CZ . ARG B 67 ? 0.5539 0.8412 0.6992 0.0393 0.0205 0.0612 66 ARG H CZ 3228 N NH1 . ARG B 67 ? 0.6139 0.8711 0.7522 0.0526 0.0341 0.0594 66 ARG H NH1 3229 N NH2 . ARG B 67 ? 0.4743 0.7621 0.6151 0.0197 0.0188 0.0539 66 ARG H NH2 3230 N N . VAL B 68 ? 0.3718 0.6085 0.4242 0.0372 -0.0259 0.0539 67 VAL H N 3231 C CA . VAL B 68 ? 0.3851 0.5860 0.4158 0.0263 -0.0255 0.0392 67 VAL H CA 3232 C C . VAL B 68 ? 0.4330 0.6311 0.4420 0.0263 -0.0323 0.0357 67 VAL H C 3233 O O . VAL B 68 ? 0.4269 0.6393 0.4341 0.0383 -0.0329 0.0475 67 VAL H O 3234 C CB . VAL B 68 ? 0.5113 0.6763 0.5405 0.0324 -0.0132 0.0388 67 VAL H CB 3235 C CG1 . VAL B 68 ? 0.5094 0.6655 0.5384 0.0474 -0.0077 0.0490 67 VAL H CG1 3236 C CG2 . VAL B 68 ? 0.4791 0.6133 0.4914 0.0210 -0.0138 0.0258 67 VAL H CG2 3237 N N . THR B 69 ? 0.3425 0.5220 0.3352 0.0135 -0.0361 0.0200 68 THR H N 3238 C CA . THR B 69 ? 0.3807 0.5540 0.3509 0.0136 -0.0398 0.0129 68 THR H CA 3239 C C . THR B 69 ? 0.4875 0.6211 0.4468 0.0093 -0.0344 0.0014 68 THR H C 3240 O O . THR B 69 ? 0.5752 0.6925 0.5380 -0.0015 -0.0344 -0.0068 68 THR H O 3241 C CB . THR B 69 ? 0.4094 0.6085 0.3699 0.0017 -0.0526 0.0022 68 THR H CB 3242 O OG1 . THR B 69 ? 0.4551 0.6977 0.4285 0.0062 -0.0598 0.0151 68 THR H OG1 3243 C CG2 . THR B 69 ? 0.4376 0.6304 0.3706 0.0034 -0.0542 -0.0072 68 THR H CG2 3244 N N . MET B 70 ? 0.4036 0.5238 0.3518 0.0184 -0.0292 0.0029 69 MET H N 3245 C CA . MET B 70 ? 0.4554 0.5431 0.3968 0.0169 -0.0243 -0.0061 69 MET H CA 3246 C C . MET B 70 ? 0.4934 0.5786 0.4156 0.0190 -0.0239 -0.0154 69 MET H C 3247 O O . MET B 70 ? 0.4760 0.5756 0.3911 0.0284 -0.0211 -0.0078 69 MET H O 3248 C CB . MET B 70 ? 0.3567 0.4290 0.3082 0.0256 -0.0162 0.0037 69 MET H CB 3249 C CG . MET B 70 ? 0.3168 0.3863 0.2827 0.0234 -0.0145 0.0087 69 MET H CG 3250 S SD . MET B 70 ? 0.4069 0.4611 0.3826 0.0319 -0.0063 0.0169 69 MET H SD 3251 C CE . MET B 70 ? 0.3843 0.4385 0.3701 0.0283 -0.0040 0.0176 69 MET H CE 3252 N N . THR B 71 ? 0.4961 0.5619 0.4099 0.0108 -0.0253 -0.0316 70 THR H N 3253 C CA . THR B 71 ? 0.4439 0.5037 0.3383 0.0129 -0.0230 -0.0448 70 THR H CA 3254 C C . THR B 71 ? 0.5403 0.5653 0.4369 0.0147 -0.0163 -0.0526 70 THR H C 3255 O O . THR B 71 ? 0.4653 0.4734 0.3763 0.0131 -0.0155 -0.0466 70 THR H O 3256 C CB . THR B 71 ? 0.4945 0.5666 0.3740 0.0004 -0.0321 -0.0617 70 THR H CB 3257 O OG1 . THR B 71 ? 0.5003 0.5576 0.3910 -0.0142 -0.0369 -0.0693 70 THR H OG1 3258 C CG2 . THR B 71 ? 0.4818 0.5958 0.3581 0.0012 -0.0402 -0.0520 70 THR H CG2 3259 N N . ARG B 72 ? 0.5731 0.5890 0.4547 0.0193 -0.0110 -0.0653 71 ARG H N 3260 C CA . ARG B 72 ? 0.4465 0.4302 0.3326 0.0236 -0.0038 -0.0724 71 ARG H CA 3261 C C . ARG B 72 ? 0.6025 0.5728 0.4694 0.0229 0.0001 -0.0951 71 ARG H C 3262 O O . ARG B 72 ? 0.5744 0.5649 0.4207 0.0225 -0.0006 -0.1039 71 ARG H O 3263 C CB . ARG B 72 ? 0.4569 0.4416 0.3549 0.0379 0.0047 -0.0585 71 ARG H CB 3264 C CG . ARG B 72 ? 0.5578 0.5521 0.4442 0.0495 0.0149 -0.0625 71 ARG H CG 3265 C CD . ARG B 72 ? 0.5011 0.5275 0.3724 0.0502 0.0137 -0.0568 71 ARG H CD 3266 N NE . ARG B 72 ? 0.4680 0.5060 0.3287 0.0618 0.0257 -0.0562 71 ARG H NE 3267 C CZ . ARG B 72 ? 0.5371 0.5997 0.3744 0.0638 0.0272 -0.0569 71 ARG H CZ 3268 N NH1 . ARG B 72 ? 0.4590 0.5323 0.2865 0.0748 0.0406 -0.0550 71 ARG H NH1 3269 N NH2 . ARG B 72 ? 0.5115 0.5914 0.3354 0.0550 0.0154 -0.0583 71 ARG H NH2 3270 N N . ASP B 73 ? 0.5688 0.5044 0.4418 0.0229 0.0046 -0.1044 72 ASP H N 3271 C CA . ASP B 73 ? 0.6073 0.5219 0.4653 0.0257 0.0123 -0.1271 72 ASP H CA 3272 C C . ASP B 73 ? 0.7079 0.6085 0.5775 0.0444 0.0253 -0.1215 72 ASP H C 3273 O O . ASP B 73 ? 0.6315 0.5120 0.5220 0.0484 0.0262 -0.1108 72 ASP H O 3274 C CB . ASP B 73 ? 0.5932 0.4747 0.4521 0.0109 0.0085 -0.1436 72 ASP H CB 3275 C CG . ASP B 73 ? 0.7596 0.6170 0.6002 0.0116 0.0165 -0.1723 72 ASP H CG 3276 O OD1 . ASP B 73 ? 0.8659 0.7373 0.6834 0.0004 0.0110 -0.1916 72 ASP H OD1 3277 O OD2 . ASP B 73 ? 0.7779 0.6033 0.6269 0.0238 0.0281 -0.1761 72 ASP H OD2 3278 N N . MET B 74 ? 0.5787 0.4940 0.4352 0.0562 0.0353 -0.1270 73 MET H N 3279 C CA . MET B 74 ? 0.6564 0.5689 0.5279 0.0747 0.0486 -0.1191 73 MET H CA 3280 C C . MET B 74 ? 0.6960 0.5696 0.5772 0.0825 0.0571 -0.1312 73 MET H C 3281 O O . MET B 74 ? 0.7476 0.6146 0.6538 0.0950 0.0621 -0.1174 73 MET H O 3282 C CB . MET B 74 ? 0.6675 0.6068 0.5213 0.0847 0.0598 -0.1225 73 MET H CB 3283 C CG . MET B 74 ? 0.7710 0.7475 0.6245 0.0827 0.0549 -0.1019 73 MET H CG 3284 S SD . MET B 74 ? 0.8909 0.8712 0.7825 0.0851 0.0506 -0.0738 73 MET H SD 3285 C CE . MET B 74 ? 1.0315 1.0138 0.9425 0.1040 0.0679 -0.0697 73 MET H CE 3286 N N . TYR B 75 ? 0.6942 0.5420 0.5570 0.0750 0.0586 -0.1567 74 TYR H N 3287 C CA . TYR B 75 ? 0.8157 0.6206 0.6874 0.0835 0.0692 -0.1701 74 TYR H CA 3288 C C . TYR B 75 ? 0.7603 0.5383 0.6583 0.0800 0.0623 -0.1541 74 TYR H C 3289 O O . TYR B 75 ? 0.7901 0.5480 0.7100 0.0956 0.0702 -0.1456 74 TYR H O 3290 C CB . TYR B 75 ? 0.8956 0.6759 0.7400 0.0733 0.0722 -0.2046 74 TYR H CB 3291 C CG . TYR B 75 ? 1.1384 0.8663 0.9935 0.0813 0.0843 -0.2200 74 TYR H CG 3292 C CD1 . TYR B 75 ? 1.2468 0.9646 1.1069 0.1048 0.1036 -0.2269 74 TYR H CD1 3293 C CD2 . TYR B 75 ? 1.2504 0.9387 1.1134 0.0660 0.0779 -0.2261 74 TYR H CD2 3294 C CE1 . TYR B 75 ? 1.3580 1.0252 1.2307 0.1149 0.1161 -0.2400 74 TYR H CE1 3295 C CE2 . TYR B 75 ? 1.3351 0.9707 1.2101 0.0741 0.0901 -0.2382 74 TYR H CE2 3296 C CZ . TYR B 75 ? 1.3686 0.9927 1.2485 0.0995 0.1092 -0.2453 74 TYR H CZ 3297 O OH . TYR B 75 ? 1.3625 0.9464 1.2595 0.1092 0.1149 -0.2494 74 TYR H OH 3298 N N . SER B 76 ? 0.6889 0.4696 0.5853 0.0606 0.0480 -0.1485 75 SER H N 3299 C CA . SER B 76 ? 0.7522 0.5093 0.6688 0.0550 0.0420 -0.1328 75 SER H CA 3300 C C . SER B 76 ? 0.6543 0.4385 0.5878 0.0601 0.0351 -0.1033 75 SER H C 3301 O O . SER B 76 ? 0.7269 0.4984 0.6744 0.0570 0.0299 -0.0871 75 SER H O 3302 C CB . SER B 76 ? 0.7326 0.4794 0.6408 0.0303 0.0321 -0.1421 75 SER H CB 3303 O OG . SER B 76 ? 0.6757 0.4634 0.5744 0.0192 0.0213 -0.1368 75 SER H OG 3304 N N . GLU B 77 ? 0.5807 0.4014 0.5116 0.0672 0.0357 -0.0971 76 GLU H N 3305 C CA . GLU B 77 ? 0.5379 0.3850 0.4837 0.0705 0.0296 -0.0734 76 GLU H CA 3306 C C . GLU B 77 ? 0.5522 0.4028 0.4978 0.0545 0.0176 -0.0633 76 GLU H C 3307 O O . GLU B 77 ? 0.5366 0.3877 0.4953 0.0556 0.0127 -0.0461 76 GLU H O 3308 C CB . GLU B 77 ? 0.6655 0.5049 0.6349 0.0867 0.0337 -0.0591 76 GLU H CB 3309 C CG . GLU B 77 ? 0.8126 0.6563 0.7882 0.1050 0.0475 -0.0658 76 GLU H CG 3310 C CD . GLU B 77 ? 0.9204 0.7639 0.9250 0.1219 0.0500 -0.0492 76 GLU H CD 3311 O OE1 . GLU B 77 ? 0.9994 0.8240 1.0145 0.1212 0.0433 -0.0375 76 GLU H OE1 3312 O OE2 . GLU B 77 ? 0.9733 0.8384 0.9910 0.1358 0.0587 -0.0462 76 GLU H OE2 3313 N N . THR B 78 ? 0.4782 0.3346 0.4086 0.0399 0.0129 -0.0744 77 THR H N 3314 C CA . THR B 78 ? 0.5818 0.4431 0.5137 0.0248 0.0037 -0.0666 77 THR H CA 3315 C C . THR B 78 ? 0.6008 0.4979 0.5262 0.0198 -0.0015 -0.0634 77 THR H C 3316 O O . THR B 78 ? 0.5772 0.4893 0.4892 0.0188 -0.0011 -0.0746 77 THR H O 3317 C CB . THR B 78 ? 0.4807 0.3171 0.4079 0.0094 0.0020 -0.0801 77 THR H CB 3318 O OG1 . THR B 78 ? 0.5445 0.3423 0.4787 0.0158 0.0090 -0.0833 77 THR H OG1 3319 C CG2 . THR B 78 ? 0.5800 0.4223 0.5136 -0.0053 -0.0050 -0.0685 77 THR H CG2 3320 N N . ALA B 79 ? 0.5057 0.4163 0.4400 0.0178 -0.0059 -0.0477 78 ALA H N 3321 C CA . ALA B 79 ? 0.5563 0.4965 0.4886 0.0142 -0.0098 -0.0426 78 ALA H CA 3322 C C . ALA B 79 ? 0.5862 0.5307 0.5188 -0.0009 -0.0155 -0.0444 78 ALA H C 3323 O O . ALA B 79 ? 0.5210 0.4471 0.4587 -0.0084 -0.0160 -0.0421 78 ALA H O 3324 C CB . ALA B 79 ? 0.4499 0.4010 0.3926 0.0209 -0.0094 -0.0274 78 ALA H CB 3325 N N . PHE B 80 ? 0.4616 0.4327 0.3903 -0.0051 -0.0194 -0.0464 79 PHE H N 3326 C CA . PHE B 80 ? 0.3822 0.3647 0.3154 -0.0196 -0.0251 -0.0481 79 PHE H CA 3327 C C . PHE B 80 ? 0.5015 0.5144 0.4432 -0.0171 -0.0267 -0.0356 79 PHE H C 3328 O O . PHE B 80 ? 0.4658 0.4960 0.4053 -0.0067 -0.0258 -0.0302 79 PHE H O 3329 C CB . PHE B 80 ? 0.4385 0.4273 0.3613 -0.0295 -0.0303 -0.0653 79 PHE H CB 3330 C CG . PHE B 80 ? 0.5461 0.5003 0.4612 -0.0328 -0.0270 -0.0812 79 PHE H CG 3331 C CD1 . PHE B 80 ? 0.5605 0.5029 0.4641 -0.0197 -0.0208 -0.0882 79 PHE H CD1 3332 C CD2 . PHE B 80 ? 0.5707 0.5030 0.4920 -0.0487 -0.0284 -0.0887 79 PHE H CD2 3333 C CE1 . PHE B 80 ? 0.5539 0.4623 0.4520 -0.0205 -0.0157 -0.1038 79 PHE H CE1 3334 C CE2 . PHE B 80 ? 0.6683 0.5633 0.5845 -0.0509 -0.0239 -0.1037 79 PHE H CE2 3335 C CZ . PHE B 80 ? 0.6905 0.5730 0.5949 -0.0357 -0.0174 -0.1119 79 PHE H CZ 3336 N N . LEU B 81 ? 0.4992 0.5174 0.4519 -0.0260 -0.0275 -0.0303 80 LEU H N 3337 C CA . LEU B 81 ? 0.4071 0.4530 0.3708 -0.0229 -0.0271 -0.0196 80 LEU H CA 3338 C C . LEU B 81 ? 0.4541 0.5254 0.4277 -0.0357 -0.0327 -0.0222 80 LEU H C 3339 O O . LEU B 81 ? 0.5408 0.6023 0.5188 -0.0502 -0.0337 -0.0271 80 LEU H O 3340 C CB . LEU B 81 ? 0.4406 0.4758 0.4099 -0.0198 -0.0207 -0.0101 80 LEU H CB 3341 C CG . LEU B 81 ? 0.5193 0.5776 0.5002 -0.0146 -0.0170 -0.0012 80 LEU H CG 3342 C CD1 . LEU B 81 ? 0.5583 0.6256 0.5394 -0.0007 -0.0159 0.0033 80 LEU H CD1 3343 C CD2 . LEU B 81 ? 0.5588 0.6053 0.5400 -0.0147 -0.0103 0.0039 80 LEU H CD2 3344 N N . GLU B 82 ? 0.4053 0.5104 0.3848 -0.0306 -0.0366 -0.0173 81 GLU H N 3345 C CA . GLU B 82 ? 0.4106 0.5491 0.4055 -0.0411 -0.0426 -0.0166 81 GLU H CA 3346 C C . GLU B 82 ? 0.3877 0.5522 0.4005 -0.0299 -0.0378 -0.0013 81 GLU H C 3347 O O . GLU B 82 ? 0.4576 0.6259 0.4686 -0.0138 -0.0347 0.0071 81 GLU H O 3348 C CB . GLU B 82 ? 0.4647 0.6272 0.4515 -0.0463 -0.0544 -0.0256 81 GLU H CB 3349 C CG . GLU B 82 ? 0.5876 0.7919 0.5933 -0.0585 -0.0635 -0.0249 81 GLU H CG 3350 C CD . GLU B 82 ? 0.7519 0.9784 0.7456 -0.0687 -0.0777 -0.0384 81 GLU H CD 3351 O OE1 . GLU B 82 ? 0.8017 0.9997 0.7738 -0.0752 -0.0789 -0.0556 81 GLU H OE1 3352 O OE2 . GLU B 82 ? 0.7832 1.0568 0.7886 -0.0694 -0.0877 -0.0323 81 GLU H OE2 3353 N N . LEU B 83 ? 0.3352 0.5160 0.3670 -0.0382 -0.0353 0.0025 82 LEU H N 3354 C CA . LEU B 83 ? 0.2916 0.4985 0.3435 -0.0269 -0.0287 0.0155 82 LEU H CA 3355 C C . LEU B 83 ? 0.3519 0.6035 0.4279 -0.0369 -0.0351 0.0181 82 LEU H C 3356 O O . LEU B 83 ? 0.3632 0.6164 0.4470 -0.0554 -0.0361 0.0127 82 LEU H O 3357 C CB . LEU B 83 ? 0.3341 0.5188 0.3867 -0.0241 -0.0150 0.0187 82 LEU H CB 3358 C CG . LEU B 83 ? 0.3347 0.5363 0.4038 -0.0093 -0.0040 0.0287 82 LEU H CG 3359 C CD1 . LEU B 83 ? 0.2516 0.4498 0.3182 0.0096 -0.0030 0.0342 82 LEU H CD1 3360 C CD2 . LEU B 83 ? 0.3950 0.5747 0.4580 -0.0101 0.0089 0.0278 82 LEU H CD2 3361 N N . ARG B 84 A 0.3745 0.6635 0.4643 -0.0249 -0.0396 0.0281 82 ARG H N 3362 C CA . ARG B 84 A 0.3993 0.7397 0.5152 -0.0330 -0.0486 0.0322 82 ARG H CA 3363 C C . ARG B 84 A 0.3838 0.7508 0.5310 -0.0227 -0.0369 0.0458 82 ARG H C 3364 O O . ARG B 84 A 0.3483 0.6936 0.4940 -0.0066 -0.0222 0.0514 82 ARG H O 3365 C CB . ARG B 84 A 0.3450 0.7178 0.4568 -0.0260 -0.0634 0.0363 82 ARG H CB 3366 C CG . ARG B 84 A 0.3554 0.7105 0.4365 -0.0382 -0.0750 0.0199 82 ARG H CG 3367 C CD . ARG B 84 A 0.3851 0.7724 0.4555 -0.0285 -0.0878 0.0258 82 ARG H CD 3368 N NE . ARG B 84 A 0.4383 0.8099 0.4995 -0.0043 -0.0786 0.0404 82 ARG H NE 3369 C CZ . ARG B 84 A 0.4773 0.8069 0.5124 0.0005 -0.0718 0.0346 82 ARG H CZ 3370 N NH1 . ARG B 84 A 0.4125 0.7108 0.4275 -0.0145 -0.0729 0.0149 82 ARG H NH1 3371 N NH2 . ARG B 84 A 0.5052 0.8238 0.5371 0.0205 -0.0632 0.0491 82 ARG H NH2 3372 N N . SER B 85 B 0.3378 0.7530 0.5145 -0.0326 -0.0430 0.0498 82 SER H N 3373 C CA . SER B 85 B 0.3454 0.7958 0.5576 -0.0219 -0.0317 0.0634 82 SER H CA 3374 C C . SER B 85 B 0.3826 0.8005 0.5918 -0.0186 -0.0103 0.0625 82 SER H C 3375 O O . SER B 85 B 0.3796 0.7921 0.5947 0.0028 0.0040 0.0700 82 SER H O 3376 C CB . SER B 85 B 0.3735 0.8480 0.5983 0.0055 -0.0317 0.0795 82 SER H CB 3377 O OG . SER B 85 B 0.4517 0.9666 0.6803 0.0029 -0.0523 0.0836 82 SER H OG 3378 N N . LEU B 86 C 0.4073 0.8028 0.6063 -0.0397 -0.0077 0.0532 82 LEU H N 3379 C CA . LEU B 86 C 0.4071 0.7719 0.5962 -0.0385 0.0110 0.0526 82 LEU H CA 3380 C C . LEU B 86 C 0.4180 0.8187 0.6385 -0.0322 0.0272 0.0624 82 LEU H C 3381 O O . LEU B 86 C 0.4048 0.8545 0.6592 -0.0403 0.0231 0.0685 82 LEU H O 3382 C CB . LEU B 86 C 0.4018 0.7362 0.5739 -0.0625 0.0092 0.0442 82 LEU H CB 3383 C CG . LEU B 86 C 0.4396 0.7308 0.5791 -0.0665 -0.0020 0.0335 82 LEU H CG 3384 C CD1 . LEU B 86 C 0.3965 0.6635 0.5283 -0.0907 -0.0044 0.0269 82 LEU H CD1 3385 C CD2 . LEU B 86 C 0.3228 0.5758 0.4365 -0.0485 0.0062 0.0330 82 LEU H CD2 3386 N N . THR B 87 ? 0.4448 0.8229 0.6544 -0.0176 0.0458 0.0629 83 THR H N 3387 C CA . THR B 87 ? 0.3730 0.7773 0.6052 -0.0117 0.0659 0.0693 83 THR H CA 3388 C C . THR B 87 ? 0.3875 0.7544 0.5902 -0.0167 0.0813 0.0639 83 THR H C 3389 O O . THR B 87 ? 0.4075 0.7321 0.5769 -0.0249 0.0742 0.0570 83 THR H O 3390 C CB . THR B 87 ? 0.3786 0.7996 0.6298 0.0174 0.0768 0.0752 83 THR H CB 3391 O OG1 . THR B 87 ? 0.3771 0.7497 0.5972 0.0316 0.0860 0.0671 83 THR H OG1 3392 C CG2 . THR B 87 ? 0.3205 0.7715 0.5928 0.0265 0.0596 0.0833 83 THR H CG2 3393 N N . SER B 88 ? 0.3299 0.7148 0.5442 -0.0107 0.1025 0.0677 84 SER H N 3394 C CA . SER B 88 ? 0.4711 0.8269 0.6546 -0.0139 0.1184 0.0636 84 SER H CA 3395 C C . SER B 88 ? 0.5153 0.8220 0.6598 -0.0019 0.1171 0.0526 84 SER H C 3396 O O . SER B 88 ? 0.5045 0.7789 0.6151 -0.0106 0.1177 0.0487 84 SER H O 3397 C CB . SER B 88 ? 0.4504 0.8369 0.6519 -0.0039 0.1440 0.0677 84 SER H CB 3398 O OG . SER B 88 ? 0.5921 1.0283 0.8335 -0.0167 0.1465 0.0791 84 SER H OG 3399 N N . ASP B 89 ? 0.4094 0.7123 0.5611 0.0177 0.1150 0.0493 85 ASP H N 3400 C CA . ASP B 89 ? 0.4510 0.7106 0.5726 0.0289 0.1150 0.0385 85 ASP H CA 3401 C C . ASP B 89 ? 0.4326 0.6593 0.5280 0.0170 0.0958 0.0350 85 ASP H C 3402 O O . ASP B 89 ? 0.4935 0.6852 0.5620 0.0210 0.0948 0.0264 85 ASP H O 3403 C CB . ASP B 89 ? 0.5018 0.7652 0.6434 0.0515 0.1176 0.0390 85 ASP H CB 3404 C CG . ASP B 89 ? 0.7224 1.0140 0.8911 0.0679 0.1391 0.0416 85 ASP H CG 3405 O OD1 . ASP B 89 ? 0.7687 1.0602 0.9257 0.0659 0.1567 0.0358 85 ASP H OD1 3406 O OD2 . ASP B 89 ? 0.8712 1.1866 1.0729 0.0839 0.1392 0.0503 85 ASP H OD2 3407 N N . ASP B 90 ? 0.3533 0.5923 0.4582 0.0024 0.0811 0.0405 86 ASP H N 3408 C CA . ASP B 90 ? 0.3968 0.6060 0.4799 -0.0076 0.0646 0.0367 86 ASP H CA 3409 C C . ASP B 90 ? 0.4521 0.6398 0.5123 -0.0233 0.0659 0.0366 86 ASP H C 3410 O O . ASP B 90 ? 0.4222 0.5816 0.4635 -0.0297 0.0548 0.0338 86 ASP H O 3411 C CB . ASP B 90 ? 0.4035 0.6329 0.5047 -0.0152 0.0486 0.0397 86 ASP H CB 3412 C CG . ASP B 90 ? 0.4441 0.6939 0.5636 0.0016 0.0448 0.0432 86 ASP H CG 3413 O OD1 . ASP B 90 ? 0.3914 0.6179 0.4986 0.0157 0.0459 0.0407 86 ASP H OD1 3414 O OD2 . ASP B 90 ? 0.4374 0.7279 0.5850 0.0006 0.0405 0.0500 86 ASP H OD2 3415 N N . THR B 91 ? 0.3876 0.5895 0.4503 -0.0284 0.0804 0.0414 87 THR H N 3416 C CA . THR B 91 ? 0.5105 0.6934 0.5502 -0.0417 0.0837 0.0454 87 THR H CA 3417 C C . THR B 91 ? 0.4858 0.6344 0.4899 -0.0340 0.0825 0.0389 87 THR H C 3418 O O . THR B 91 ? 0.4859 0.6336 0.4801 -0.0214 0.0924 0.0319 87 THR H O 3419 C CB . THR B 91 ? 0.4753 0.6836 0.5228 -0.0469 0.1026 0.0534 87 THR H CB 3420 O OG1 . THR B 91 ? 0.5431 0.7853 0.6269 -0.0585 0.1017 0.0606 87 THR H OG1 3421 C CG2 . THR B 91 ? 0.5420 0.7288 0.5603 -0.0582 0.1070 0.0605 87 THR H CG2 3422 N N . ALA B 92 ? 0.4613 0.5825 0.4484 -0.0417 0.0702 0.0404 88 ALA H N 3423 C CA . ALA B 92 ? 0.5389 0.6321 0.4973 -0.0352 0.0648 0.0351 88 ALA H CA 3424 C C . ALA B 92 ? 0.4968 0.5652 0.4439 -0.0439 0.0526 0.0408 88 ALA H C 3425 O O . ALA B 92 ? 0.5172 0.5851 0.4783 -0.0548 0.0484 0.0462 88 ALA H O 3426 C CB . ALA B 92 ? 0.5140 0.6019 0.4771 -0.0216 0.0596 0.0242 88 ALA H CB 3427 N N . VAL B 93 ? 0.4887 0.5368 0.4124 -0.0390 0.0468 0.0389 89 VAL H N 3428 C CA . VAL B 93 ? 0.5026 0.5272 0.4197 -0.0421 0.0346 0.0436 89 VAL H CA 3429 C C . VAL B 93 ? 0.5184 0.5346 0.4419 -0.0332 0.0244 0.0334 89 VAL H C 3430 O O . VAL B 93 ? 0.4710 0.4876 0.3878 -0.0246 0.0242 0.0256 89 VAL H O 3431 C CB . VAL B 93 ? 0.4910 0.5034 0.3807 -0.0420 0.0332 0.0518 89 VAL H CB 3432 C CG1 . VAL B 93 ? 0.4461 0.4354 0.3354 -0.0435 0.0221 0.0599 89 VAL H CG1 3433 C CG2 . VAL B 93 ? 0.4775 0.5015 0.3561 -0.0494 0.0460 0.0631 89 VAL H CG2 3434 N N . TYR B 94 ? 0.3979 0.4064 0.3342 -0.0361 0.0171 0.0328 90 TYR H N 3435 C CA . TYR B 94 ? 0.4775 0.4817 0.4199 -0.0280 0.0096 0.0246 90 TYR H CA 3436 C C . TYR B 94 ? 0.5327 0.5154 0.4659 -0.0244 0.0015 0.0261 90 TYR H C 3437 O O . TYR B 94 ? 0.5674 0.5349 0.4984 -0.0294 -0.0008 0.0325 90 TYR H O 3438 C CB . TYR B 94 ? 0.4390 0.4527 0.3987 -0.0321 0.0068 0.0208 90 TYR H CB 3439 C CG . TYR B 94 ? 0.4620 0.5039 0.4364 -0.0316 0.0128 0.0201 90 TYR H CG 3440 C CD1 . TYR B 94 ? 0.4534 0.5103 0.4345 -0.0402 0.0208 0.0256 90 TYR H CD1 3441 C CD2 . TYR B 94 ? 0.4120 0.4672 0.3957 -0.0216 0.0116 0.0161 90 TYR H CD2 3442 C CE1 . TYR B 94 ? 0.3776 0.4643 0.3766 -0.0378 0.0271 0.0260 90 TYR H CE1 3443 C CE2 . TYR B 94 ? 0.4185 0.5008 0.4188 -0.0183 0.0172 0.0180 90 TYR H CE2 3444 C CZ . TYR B 94 ? 0.4350 0.5342 0.4441 -0.0260 0.0248 0.0223 90 TYR H CZ 3445 O OH . TYR B 94 ? 0.4153 0.5455 0.4454 -0.0210 0.0311 0.0252 90 TYR H OH 3446 N N . PHE B 95 ? 0.3981 0.3799 0.3289 -0.0155 -0.0019 0.0211 91 PHE H N 3447 C CA . PHE B 95 ? 0.4381 0.4064 0.3648 -0.0108 -0.0095 0.0231 91 PHE H CA 3448 C C . PHE B 95 ? 0.5294 0.4970 0.4673 -0.0041 -0.0126 0.0168 91 PHE H C 3449 O O . PHE B 95 ? 0.4738 0.4521 0.4186 -0.0010 -0.0098 0.0116 91 PHE H O 3450 C CB . PHE B 95 ? 0.4129 0.3842 0.3272 -0.0083 -0.0117 0.0234 91 PHE H CB 3451 C CG . PHE B 95 ? 0.5152 0.4876 0.4120 -0.0137 -0.0095 0.0315 91 PHE H CG 3452 C CD1 . PHE B 95 ? 0.4350 0.3976 0.3239 -0.0141 -0.0151 0.0440 91 PHE H CD1 3453 C CD2 . PHE B 95 ? 0.5483 0.5321 0.4364 -0.0168 -0.0007 0.0281 91 PHE H CD2 3454 C CE1 . PHE B 95 ? 0.4808 0.4460 0.3511 -0.0186 -0.0127 0.0547 91 PHE H CE1 3455 C CE2 . PHE B 95 ? 0.4994 0.4866 0.3681 -0.0216 0.0030 0.0363 91 PHE H CE2 3456 C CZ . PHE B 95 ? 0.5485 0.5269 0.4071 -0.0230 -0.0034 0.0506 91 PHE H CZ 3457 N N . CYS B 96 ? 0.3986 0.3540 0.3389 -0.0008 -0.0170 0.0187 92 CYS H N 3458 C CA . CYS B 96 ? 0.4152 0.3721 0.3640 0.0070 -0.0186 0.0141 92 CYS H CA 3459 C C . CYS B 96 ? 0.4592 0.4167 0.4092 0.0120 -0.0234 0.0179 92 CYS H C 3460 O O . CYS B 96 ? 0.4342 0.3864 0.3783 0.0114 -0.0276 0.0252 92 CYS H O 3461 C CB . CYS B 96 ? 0.5256 0.4715 0.4779 0.0086 -0.0183 0.0108 92 CYS H CB 3462 S SG . CYS B 96 ? 0.6523 0.5745 0.6038 0.0102 -0.0204 0.0176 92 CYS H SG 3463 N N . THR B 97 ? 0.4345 0.4008 0.3934 0.0161 -0.0232 0.0143 93 THR H N 3464 C CA . THR B 97 ? 0.3685 0.3405 0.3327 0.0182 -0.0288 0.0165 93 THR H CA 3465 C C . THR B 97 ? 0.3983 0.3762 0.3791 0.0245 -0.0275 0.0158 93 THR H C 3466 O O . THR B 97 ? 0.4517 0.4306 0.4364 0.0271 -0.0213 0.0130 93 THR H O 3467 C CB . THR B 97 ? 0.5185 0.4972 0.4776 0.0126 -0.0294 0.0116 93 THR H CB 3468 O OG1 . THR B 97 ? 0.4719 0.4529 0.4393 0.0133 -0.0225 0.0062 93 THR H OG1 3469 C CG2 . THR B 97 ? 0.4087 0.3850 0.3498 0.0071 -0.0283 0.0120 93 THR H CG2 3470 N N . ARG B 98 ? 0.4131 0.3984 0.4038 0.0268 -0.0336 0.0197 94 ARG H N 3471 C CA . ARG B 98 ? 0.3973 0.3930 0.4077 0.0318 -0.0314 0.0205 94 ARG H CA 3472 C C . ARG B 98 ? 0.4573 0.4674 0.4792 0.0267 -0.0390 0.0209 94 ARG H C 3473 O O . ARG B 98 ? 0.3968 0.4108 0.4114 0.0234 -0.0487 0.0231 94 ARG H O 3474 C CB . ARG B 98 ? 0.3716 0.3649 0.3903 0.0422 -0.0298 0.0251 94 ARG H CB 3475 C CG . ARG B 98 ? 0.4702 0.4737 0.5059 0.0489 -0.0220 0.0247 94 ARG H CG 3476 C CD . ARG B 98 ? 0.3841 0.3945 0.4373 0.0597 -0.0225 0.0307 94 ARG H CD 3477 N NE . ARG B 98 ? 0.3760 0.4060 0.4468 0.0572 -0.0323 0.0372 94 ARG H NE 3478 C CZ . ARG B 98 ? 0.4241 0.4689 0.5170 0.0665 -0.0349 0.0450 94 ARG H CZ 3479 N NH1 . ARG B 98 ? 0.4511 0.4890 0.5505 0.0804 -0.0260 0.0465 94 ARG H NH1 3480 N NH2 . ARG B 98 ? 0.3253 0.3930 0.4345 0.0620 -0.0465 0.0506 94 ARG H NH2 3481 N N . GLY B 99 ? 0.3653 0.3842 0.4044 0.0249 -0.0348 0.0191 95 GLY H N 3482 C CA . GLY B 99 ? 0.3239 0.3572 0.3782 0.0170 -0.0421 0.0175 95 GLY H CA 3483 C C . GLY B 99 ? 0.4554 0.5067 0.5236 0.0210 -0.0523 0.0249 95 GLY H C 3484 O O . GLY B 99 ? 0.4412 0.4928 0.5147 0.0326 -0.0497 0.0322 95 GLY H O 3485 N N . LYS B 100 ? 0.3051 0.3719 0.3797 0.0115 -0.0642 0.0223 96 LYS H N 3486 C CA . LYS B 100 ? 0.3424 0.4336 0.4333 0.0147 -0.0768 0.0311 96 LYS H CA 3487 C C . LYS B 100 ? 0.3638 0.4743 0.4908 0.0201 -0.0716 0.0372 96 LYS H C 3488 O O . LYS B 100 ? 0.3288 0.4512 0.4708 0.0331 -0.0724 0.0479 96 LYS H O 3489 C CB . LYS B 100 ? 0.3673 0.4744 0.4535 0.0005 -0.0927 0.0245 96 LYS H CB 3490 C CG . LYS B 100 ? 0.4266 0.5689 0.5382 0.0009 -0.1078 0.0332 96 LYS H CG 3491 C CD . LYS B 100 ? 0.4001 0.5601 0.5044 -0.0165 -0.1247 0.0229 96 LYS H CD 3492 C CE . LYS B 100 ? 0.4949 0.6972 0.6320 -0.0189 -0.1410 0.0306 96 LYS H CE 3493 N NZ . LYS B 100 ? 0.6914 0.9098 0.8309 -0.0014 -0.1495 0.0509 96 LYS H NZ 3494 N N . TYR B 101 ? 0.3679 0.4809 0.5103 0.0107 -0.0646 0.0314 97 TYR H N 3495 C CA . TYR B 101 ? 0.4366 0.5705 0.6147 0.0137 -0.0574 0.0381 97 TYR H CA 3496 C C . TYR B 101 ? 0.4513 0.5715 0.6262 0.0257 -0.0385 0.0416 97 TYR H C 3497 O O . TYR B 101 ? 0.3605 0.4614 0.5210 0.0221 -0.0289 0.0371 97 TYR H O 3498 C CB . TYR B 101 ? 0.4256 0.5699 0.6253 -0.0043 -0.0587 0.0322 97 TYR H CB 3499 C CG . TYR B 101 ? 0.4118 0.5805 0.6515 -0.0034 -0.0497 0.0411 97 TYR H CG 3500 C CD1 . TYR B 101 ? 0.4328 0.6365 0.7024 0.0026 -0.0568 0.0504 97 TYR H CD1 3501 C CD2 . TYR B 101 ? 0.4731 0.6324 0.7226 -0.0077 -0.0332 0.0424 97 TYR H CD2 3502 C CE1 . TYR B 101 ? 0.4062 0.6360 0.7152 0.0037 -0.0466 0.0592 97 TYR H CE1 3503 C CE2 . TYR B 101 ? 0.5059 0.6894 0.7919 -0.0074 -0.0228 0.0524 97 TYR H CE2 3504 C CZ . TYR B 101 ? 0.4938 0.7133 0.8100 -0.0021 -0.0291 0.0600 97 TYR H CZ 3505 O OH . TYR B 101 ? 0.5384 0.7857 0.8937 -0.0016 -0.0169 0.0705 97 TYR H OH 3506 N N . CYS B 102 ? 0.4663 0.5976 0.6542 0.0408 -0.0331 0.0496 98 CYS H N 3507 C CA . CYS B 102 ? 0.5649 0.6879 0.7491 0.0521 -0.0150 0.0511 98 CYS H CA 3508 C C . CYS B 102 ? 0.5638 0.7098 0.7761 0.0662 -0.0074 0.0591 98 CYS H C 3509 O O . CYS B 102 ? 0.5281 0.6772 0.7448 0.0780 -0.0127 0.0628 98 CYS H O 3510 C CB . CYS B 102 ? 0.5273 0.6209 0.6763 0.0592 -0.0123 0.0455 98 CYS H CB 3511 S SG . CYS B 102 ? 1.0690 1.1545 1.2073 0.0707 0.0078 0.0436 98 CYS H SG 3512 N N . THR B 103 ? 0.4781 0.6401 0.7105 0.0659 0.0066 0.0633 99 THR H N 3513 C CA . THR B 103 ? 0.4682 0.6530 0.7263 0.0809 0.0190 0.0702 99 THR H CA 3514 C C . THR B 103 ? 0.5020 0.6755 0.7411 0.0896 0.0397 0.0677 99 THR H C 3515 O O . THR B 103 ? 0.4265 0.5770 0.6348 0.0839 0.0416 0.0622 99 THR H O 3516 C CB . THR B 103 ? 0.4483 0.6721 0.7525 0.0727 0.0188 0.0795 99 THR H CB 3517 O OG1 . THR B 103 ? 0.3821 0.6052 0.6891 0.0598 0.0294 0.0810 99 THR H OG1 3518 C CG2 . THR B 103 ? 0.3681 0.6060 0.6873 0.0601 -0.0046 0.0797 99 THR H CG2 3519 N N . ALA B 104 ? 0.4824 0.6748 0.7397 0.1040 0.0553 0.0719 100 ALA H N 3520 C CA . ALA B 104 ? 0.5161 0.7030 0.7532 0.1125 0.0759 0.0691 100 ALA H CA 3521 C C . ALA B 104 ? 0.4019 0.6003 0.6444 0.0997 0.0848 0.0775 100 ALA H C 3522 O O . ALA B 104 ? 0.5123 0.7021 0.7282 0.1021 0.0973 0.0767 100 ALA H O 3523 C CB . ALA B 104 ? 0.4282 0.6335 0.6835 0.1324 0.0925 0.0702 100 ALA H CB 3524 N N . ARG B 105 A 0.3882 0.6055 0.6650 0.0855 0.0776 0.0860 100 ARG H N 3525 C CA . ARG B 105 A 0.4508 0.6775 0.7408 0.0724 0.0875 0.0963 100 ARG H CA 3526 C C . ARG B 105 A 0.4800 0.6841 0.7601 0.0540 0.0746 0.0937 100 ARG H C 3527 O O . ARG B 105 A 0.3878 0.5876 0.6695 0.0452 0.0839 0.1018 100 ARG H O 3528 C CB . ARG B 105 A 0.4419 0.7079 0.7846 0.0674 0.0928 0.1078 100 ARG H CB 3529 C CG . ARG B 105 A 0.5248 0.8180 0.8824 0.0858 0.1132 0.1136 100 ARG H CG 3530 C CD . ARG B 105 A 0.5714 0.9085 0.9867 0.0788 0.1184 0.1268 100 ARG H CD 3531 N NE . ARG B 105 A 0.6953 1.0583 1.1230 0.0960 0.1415 0.1329 100 ARG H NE 3532 C CZ . ARG B 105 A 0.7746 1.1684 1.2386 0.0905 0.1474 0.1415 100 ARG H CZ 3533 N NH1 . ARG B 105 A 0.8018 1.2137 1.3048 0.0693 0.1343 0.1476 100 ARG H NH1 3534 N NH2 . ARG B 105 A 0.7599 1.1666 1.2212 0.1053 0.1662 0.1425 100 ARG H NH2 3535 N N . ASP B 106 B 0.4547 0.6437 0.7247 0.0492 0.0548 0.0834 100 ASP H N 3536 C CA . ASP B 106 B 0.4237 0.5929 0.6867 0.0323 0.0437 0.0787 100 ASP H CA 3537 C C . ASP B 106 B 0.3979 0.5458 0.6328 0.0327 0.0265 0.0664 100 ASP H C 3538 O O . ASP B 106 B 0.4162 0.5678 0.6458 0.0431 0.0199 0.0636 100 ASP H O 3539 C CB . ASP B 106 B 0.5348 0.7239 0.8390 0.0145 0.0375 0.0818 100 ASP H CB 3540 C CG . ASP B 106 B 0.7331 0.8986 1.0329 -0.0035 0.0319 0.0759 100 ASP H CG 3541 O OD1 . ASP B 106 B 0.7426 0.8806 1.0140 -0.0004 0.0381 0.0751 100 ASP H OD1 3542 O OD2 . ASP B 106 B 0.8027 0.9778 1.1285 -0.0207 0.0213 0.0715 100 ASP H OD2 3543 N N . TYR B 107 C 0.3564 0.4812 0.5745 0.0221 0.0211 0.0604 100 TYR H N 3544 C CA . TYR B 107 C 0.3722 0.4788 0.5644 0.0205 0.0067 0.0495 100 TYR H CA 3545 C C . TYR B 107 C 0.4306 0.5194 0.6179 0.0057 0.0020 0.0424 100 TYR H C 3546 O O . TYR B 107 C 0.3682 0.4504 0.5663 -0.0005 0.0120 0.0465 100 TYR H O 3547 C CB . TYR B 107 C 0.3670 0.4561 0.5255 0.0334 0.0110 0.0471 100 TYR H CB 3548 C CG . TYR B 107 C 0.5270 0.6026 0.6696 0.0346 0.0225 0.0498 100 TYR H CG 3549 C CD1 . TYR B 107 C 0.4832 0.5396 0.6113 0.0280 0.0192 0.0453 100 TYR H CD1 3550 C CD2 . TYR B 107 C 0.4853 0.5696 0.6268 0.0437 0.0369 0.0578 100 TYR H CD2 3551 C CE1 . TYR B 107 C 0.4850 0.5326 0.6018 0.0312 0.0287 0.0507 100 TYR H CE1 3552 C CE2 . TYR B 107 C 0.4527 0.5290 0.5785 0.0457 0.0457 0.0631 100 TYR H CE2 3553 C CZ . TYR B 107 C 0.5202 0.5787 0.6355 0.0399 0.0409 0.0605 100 TYR H CZ 3554 O OH . TYR B 107 C 0.5790 0.6328 0.6818 0.0438 0.0486 0.0685 100 TYR H OH 3555 N N . TYR B 108 D 0.3782 0.4584 0.5491 0.0008 -0.0120 0.0321 100 TYR H N 3556 C CA . TYR B 108 D 0.4018 0.4599 0.5588 -0.0092 -0.0139 0.0222 100 TYR H CA 3557 C C . TYR B 108 D 0.4143 0.4570 0.5370 -0.0019 -0.0175 0.0171 100 TYR H C 3558 O O . TYR B 108 D 0.4007 0.4493 0.5122 0.0001 -0.0284 0.0148 100 TYR H O 3559 C CB . TYR B 108 D 0.3829 0.4472 0.5527 -0.0261 -0.0263 0.0118 100 TYR H CB 3560 C CG . TYR B 108 D 0.4176 0.4560 0.5727 -0.0357 -0.0253 -0.0015 100 TYR H CG 3561 C CD1 . TYR B 108 D 0.3296 0.3487 0.4953 -0.0388 -0.0114 0.0003 100 TYR H CD1 3562 C CD2 . TYR B 108 D 0.4419 0.4745 0.5722 -0.0401 -0.0367 -0.0146 100 TYR H CD2 3563 C CE1 . TYR B 108 D 0.4136 0.4063 0.5685 -0.0449 -0.0084 -0.0121 100 TYR H CE1 3564 C CE2 . TYR B 108 D 0.4344 0.4429 0.5509 -0.0472 -0.0332 -0.0286 100 TYR H CE2 3565 C CZ . TYR B 108 D 0.4321 0.4197 0.5624 -0.0490 -0.0187 -0.0280 100 TYR H CZ 3566 O OH . TYR B 108 D 0.3359 0.2971 0.4554 -0.0536 -0.0132 -0.0420 100 TYR H OH 3567 N N . ASN B 109 E 0.3649 0.3901 0.4734 0.0021 -0.0080 0.0174 100 ASN H N 3568 C CA . ASN B 109 E 0.3968 0.4118 0.4777 0.0094 -0.0090 0.0150 100 ASN H CA 3569 C C . ASN B 109 E 0.4185 0.4254 0.4813 0.0032 -0.0179 0.0045 100 ASN H C 3570 O O . ASN B 109 E 0.3877 0.3934 0.4322 0.0074 -0.0224 0.0045 100 ASN H O 3571 C CB . ASN B 109 E 0.3164 0.3212 0.3911 0.0152 0.0025 0.0196 100 ASN H CB 3572 C CG . ASN B 109 E 0.4046 0.4044 0.4556 0.0214 0.0014 0.0177 100 ASN H CG 3573 O OD1 . ASN B 109 E 0.3669 0.3717 0.4093 0.0267 -0.0011 0.0191 100 ASN H OD1 3574 N ND2 . ASN B 109 E 0.3322 0.3217 0.3752 0.0205 0.0042 0.0143 100 ASN H ND2 3575 N N . TRP B 110 F 0.3021 0.3026 0.3694 -0.0073 -0.0196 -0.0047 100 TRP H N 3576 C CA . TRP B 110 F 0.3441 0.3326 0.3898 -0.0114 -0.0217 -0.0162 100 TRP H CA 3577 C C . TRP B 110 F 0.4824 0.4799 0.5136 -0.0186 -0.0356 -0.0238 100 TRP H C 3578 O O . TRP B 110 F 0.4208 0.4110 0.4289 -0.0203 -0.0361 -0.0317 100 TRP H O 3579 C CB . TRP B 110 F 0.3561 0.3273 0.4105 -0.0174 -0.0130 -0.0247 100 TRP H CB 3580 C CG . TRP B 110 F 0.3252 0.2889 0.3927 -0.0088 0.0004 -0.0133 100 TRP H CG 3581 C CD1 . TRP B 110 F 0.3350 0.2991 0.4272 -0.0104 0.0069 -0.0048 100 TRP H CD1 3582 C CD2 . TRP B 110 F 0.3793 0.3384 0.4360 0.0026 0.0082 -0.0068 100 TRP H CD2 3583 N NE1 . TRP B 110 F 0.3942 0.3532 0.4882 0.0004 0.0183 0.0076 100 TRP H NE1 3584 C CE2 . TRP B 110 F 0.4238 0.3812 0.4969 0.0084 0.0182 0.0059 100 TRP H CE2 3585 C CE3 . TRP B 110 F 0.3442 0.3034 0.3805 0.0077 0.0077 -0.0095 100 TRP H CE3 3586 C CZ2 . TRP B 110 F 0.3895 0.3475 0.4577 0.0198 0.0255 0.0158 100 TRP H CZ2 3587 C CZ3 . TRP B 110 F 0.4396 0.3997 0.4749 0.0177 0.0153 -0.0009 100 TRP H CZ3 3588 C CH2 . TRP B 110 F 0.4136 0.3742 0.4641 0.0240 0.0231 0.0115 100 TRP H CH2 3589 N N . ASP B 111 G 0.4389 0.4550 0.4832 -0.0222 -0.0466 -0.0202 100 ASP H N 3590 C CA . ASP B 111 G 0.4490 0.4787 0.4780 -0.0266 -0.0616 -0.0228 100 ASP H CA 3591 C C . ASP B 111 G 0.4363 0.4686 0.4519 -0.0147 -0.0635 -0.0099 100 ASP H C 3592 O O . ASP B 111 G 0.4327 0.4776 0.4634 -0.0076 -0.0674 0.0013 100 ASP H O 3593 C CB . ASP B 111 G 0.3480 0.4016 0.3997 -0.0350 -0.0745 -0.0228 100 ASP H CB 3594 C CG . ASP B 111 G 0.4363 0.4854 0.5007 -0.0511 -0.0745 -0.0384 100 ASP H CG 3595 O OD1 . ASP B 111 G 0.4257 0.4524 0.4736 -0.0556 -0.0670 -0.0519 100 ASP H OD1 3596 O OD2 . ASP B 111 G 0.3949 0.4628 0.4880 -0.0595 -0.0812 -0.0376 100 ASP H OD2 3597 N N . PHE B 112 H 0.3683 0.3881 0.3580 -0.0125 -0.0594 -0.0116 100 PHE H N 3598 C CA . PHE B 112 H 0.3571 0.3730 0.3362 -0.0032 -0.0580 0.0000 100 PHE H CA 3599 C C . PHE B 112 H 0.4211 0.4489 0.3900 -0.0021 -0.0709 0.0092 100 PHE H C 3600 O O . PHE B 112 H 0.4533 0.4795 0.3970 -0.0052 -0.0735 0.0092 100 PHE H O 3601 C CB . PHE B 112 H 0.4430 0.4442 0.4026 -0.0029 -0.0481 -0.0036 100 PHE H CB 3602 C CG . PHE B 112 H 0.4669 0.4589 0.4373 -0.0008 -0.0359 -0.0081 100 PHE H CG 3603 C CD1 . PHE B 112 H 0.3363 0.3295 0.3263 0.0048 -0.0319 -0.0028 100 PHE H CD1 3604 C CD2 . PHE B 112 H 0.5372 0.5210 0.4980 -0.0030 -0.0276 -0.0164 100 PHE H CD2 3605 C CE1 . PHE B 112 H 0.3918 0.3792 0.3897 0.0076 -0.0216 -0.0036 100 PHE H CE1 3606 C CE2 . PHE B 112 H 0.5270 0.5041 0.4997 0.0011 -0.0170 -0.0172 100 PHE H CE2 3607 C CZ . PHE B 112 H 0.4477 0.4271 0.4381 0.0062 -0.0148 -0.0097 100 PHE H CZ 3608 N N . GLU B 113 ? 0.3700 0.4114 0.3590 0.0036 -0.0780 0.0187 101 GLU H N 3609 C CA . GLU B 113 ? 0.4179 0.4716 0.4012 0.0080 -0.0904 0.0318 101 GLU H CA 3610 C C . GLU B 113 ? 0.3825 0.4182 0.3550 0.0174 -0.0842 0.0435 101 GLU H C 3611 O O . GLU B 113 ? 0.4427 0.4790 0.3981 0.0188 -0.0903 0.0544 101 GLU H O 3612 C CB . GLU B 113 ? 0.4383 0.5150 0.4521 0.0133 -0.0992 0.0398 101 GLU H CB 3613 C CG . GLU B 113 ? 0.6961 0.7898 0.7074 0.0198 -0.1136 0.0562 101 GLU H CG 3614 C CD . GLU B 113 ? 0.8915 1.0179 0.9352 0.0224 -0.1254 0.0625 101 GLU H CD 3615 O OE1 . GLU B 113 ? 0.8735 1.0021 0.9469 0.0314 -0.1175 0.0658 101 GLU H OE1 3616 O OE2 . GLU B 113 ? 1.0442 1.1971 1.0835 0.0152 -0.1427 0.0640 101 GLU H OE2 3617 N N . HIS B 114 ? 0.3834 0.4029 0.3651 0.0227 -0.0719 0.0413 102 HIS H N 3618 C CA . HIS B 114 ? 0.4873 0.4878 0.4641 0.0301 -0.0659 0.0498 102 HIS H CA 3619 C C . HIS B 114 ? 0.4134 0.3973 0.3730 0.0239 -0.0562 0.0431 102 HIS H C 3620 O O . HIS B 114 ? 0.4145 0.3964 0.3775 0.0213 -0.0488 0.0327 102 HIS H O 3621 C CB . HIS B 114 ? 0.3838 0.3803 0.3833 0.0411 -0.0600 0.0512 102 HIS H CB 3622 C CG . HIS B 114 ? 0.3628 0.3804 0.3856 0.0485 -0.0677 0.0586 102 HIS H CG 3623 N ND1 . HIS B 114 ? 0.4188 0.4541 0.4625 0.0474 -0.0666 0.0528 102 HIS H ND1 3624 C CD2 . HIS B 114 ? 0.3446 0.3715 0.3756 0.0570 -0.0770 0.0733 102 HIS H CD2 3625 C CE1 . HIS B 114 ? 0.3715 0.4284 0.4372 0.0542 -0.0747 0.0623 102 HIS H CE1 3626 N NE2 . HIS B 114 ? 0.4614 0.5144 0.5199 0.0611 -0.0817 0.0751 102 HIS H NE2 3627 N N . TRP B 115 ? 0.4019 0.3764 0.3447 0.0219 -0.0564 0.0515 103 TRP H N 3628 C CA . TRP B 115 ? 0.4270 0.3900 0.3565 0.0151 -0.0475 0.0478 103 TRP H CA 3629 C C . TRP B 115 ? 0.4995 0.4426 0.4297 0.0173 -0.0435 0.0573 103 TRP H C 3630 O O . TRP B 115 ? 0.3872 0.3245 0.3182 0.0229 -0.0483 0.0712 103 TRP H O 3631 C CB . TRP B 115 ? 0.4480 0.4195 0.3551 0.0073 -0.0486 0.0482 103 TRP H CB 3632 C CG . TRP B 115 ? 0.4693 0.4546 0.3733 0.0031 -0.0506 0.0349 103 TRP H CG 3633 C CD1 . TRP B 115 ? 0.5260 0.5250 0.4354 0.0031 -0.0607 0.0320 103 TRP H CD1 3634 C CD2 . TRP B 115 ? 0.4051 0.3909 0.3023 -0.0022 -0.0418 0.0223 103 TRP H CD2 3635 N NE1 . TRP B 115 ? 0.5103 0.5140 0.4154 -0.0034 -0.0584 0.0166 103 TRP H NE1 3636 C CE2 . TRP B 115 ? 0.4394 0.4339 0.3370 -0.0053 -0.0461 0.0109 103 TRP H CE2 3637 C CE3 . TRP B 115 ? 0.4322 0.4130 0.3259 -0.0044 -0.0305 0.0197 103 TRP H CE3 3638 C CZ2 . TRP B 115 ? 0.4704 0.4631 0.3640 -0.0090 -0.0379 -0.0034 103 TRP H CZ2 3639 C CZ3 . TRP B 115 ? 0.5423 0.5266 0.4337 -0.0065 -0.0228 0.0074 103 TRP H CZ3 3640 C CH2 . TRP B 115 ? 0.4251 0.4127 0.3159 -0.0080 -0.0258 -0.0042 103 TRP H CH2 3641 N N . GLY B 116 ? 0.4747 0.4075 0.4059 0.0124 -0.0351 0.0503 104 GLY H N 3642 C CA . GLY B 116 ? 0.4956 0.4080 0.4261 0.0094 -0.0308 0.0569 104 GLY H CA 3643 C C . GLY B 116 ? 0.5207 0.4347 0.4350 0.0021 -0.0300 0.0689 104 GLY H C 3644 O O . GLY B 116 ? 0.4593 0.3910 0.3610 0.0000 -0.0322 0.0682 104 GLY H O 3645 N N . GLN B 117 ? 0.4904 0.3853 0.4042 -0.0022 -0.0257 0.0796 105 GLN H N 3646 C CA . GLN B 117 ? 0.5998 0.4970 0.4976 -0.0089 -0.0232 0.0948 105 GLN H CA 3647 C C . GLN B 117 ? 0.5135 0.4246 0.4052 -0.0204 -0.0149 0.0870 105 GLN H C 3648 O O . GLN B 117 ? 0.5489 0.4687 0.4251 -0.0260 -0.0105 0.0968 105 GLN H O 3649 C CB . GLN B 117 ? 0.5569 0.4267 0.4592 -0.0103 -0.0198 0.1120 105 GLN H CB 3650 C CG . GLN B 117 ? 0.6838 0.5374 0.5964 -0.0232 -0.0104 0.1062 105 GLN H CG 3651 C CD . GLN B 117 ? 0.7469 0.5858 0.6766 -0.0213 -0.0105 0.0882 105 GLN H CD 3652 O OE1 . GLN B 117 ? 0.5637 0.4097 0.4974 -0.0105 -0.0155 0.0780 105 GLN H OE1 3653 N NE2 . GLN B 117 ? 0.6430 0.4627 0.5825 -0.0331 -0.0046 0.0836 105 GLN H NE2 3654 N N . GLY B 118 ? 0.5558 0.4718 0.4599 -0.0228 -0.0122 0.0704 106 GLY H N 3655 C CA . GLY B 118 ? 0.5682 0.5011 0.4725 -0.0310 -0.0047 0.0636 106 GLY H CA 3656 C C . GLY B 118 ? 0.5982 0.5242 0.5145 -0.0430 0.0015 0.0650 106 GLY H C 3657 O O . GLY B 118 ? 0.5962 0.5020 0.5142 -0.0482 0.0030 0.0764 106 GLY H O 3658 N N . THR B 119 ? 0.4835 0.4271 0.4106 -0.0477 0.0049 0.0541 107 THR H N 3659 C CA . THR B 119 ? 0.4409 0.3862 0.3829 -0.0614 0.0093 0.0534 107 THR H CA 3660 C C . THR B 119 ? 0.4581 0.4324 0.4041 -0.0670 0.0181 0.0549 107 THR H C 3661 O O . THR B 119 ? 0.4798 0.4758 0.4325 -0.0617 0.0183 0.0455 107 THR H O 3662 C CB . THR B 119 ? 0.5034 0.4481 0.4590 -0.0624 0.0034 0.0382 107 THR H CB 3663 O OG1 . THR B 119 ? 0.4674 0.3847 0.4199 -0.0563 -0.0019 0.0354 107 THR H OG1 3664 C CG2 . THR B 119 ? 0.4923 0.4429 0.4640 -0.0796 0.0057 0.0356 107 THR H CG2 3665 N N . PRO B 120 ? 0.5148 0.4901 0.4579 -0.0767 0.0267 0.0686 108 PRO H N 3666 C CA . PRO B 120 ? 0.5524 0.5579 0.5010 -0.0812 0.0379 0.0708 108 PRO H CA 3667 C C . PRO B 120 ? 0.5531 0.5785 0.5300 -0.0920 0.0385 0.0643 108 PRO H C 3668 O O . PRO B 120 ? 0.5307 0.5442 0.5209 -0.1060 0.0359 0.0657 108 PRO H O 3669 C CB . PRO B 120 ? 0.4569 0.4559 0.3938 -0.0895 0.0473 0.0897 108 PRO H CB 3670 C CG . PRO B 120 ? 0.6150 0.5796 0.5536 -0.0951 0.0409 0.0975 108 PRO H CG 3671 C CD . PRO B 120 ? 0.5918 0.5410 0.5271 -0.0823 0.0281 0.0847 108 PRO H CD 3672 N N . VAL B 121 ? 0.4483 0.5039 0.4355 -0.0853 0.0415 0.0569 109 VAL H N 3673 C CA . VAL B 121 ? 0.5539 0.6378 0.5698 -0.0943 0.0411 0.0530 109 VAL H CA 3674 C C . VAL B 121 ? 0.5541 0.6734 0.5820 -0.0932 0.0554 0.0588 109 VAL H C 3675 O O . VAL B 121 ? 0.5236 0.6527 0.5432 -0.0778 0.0616 0.0556 109 VAL H O 3676 C CB . VAL B 121 ? 0.5622 0.6551 0.5860 -0.0850 0.0297 0.0401 109 VAL H CB 3677 C CG1 . VAL B 121 ? 0.4104 0.5387 0.4636 -0.0946 0.0270 0.0377 109 VAL H CG1 3678 C CG2 . VAL B 121 ? 0.5865 0.6466 0.5979 -0.0846 0.0180 0.0332 109 VAL H CG2 3679 N N . THR B 122 ? 0.4382 0.5759 0.4872 -0.1100 0.0619 0.0667 110 THR H N 3680 C CA . THR B 122 ? 0.5121 0.6888 0.5784 -0.1098 0.0774 0.0731 110 THR H CA 3681 C C . THR B 122 ? 0.5455 0.7620 0.6502 -0.1154 0.0724 0.0692 110 THR H C 3682 O O . THR B 122 ? 0.5461 0.7641 0.6684 -0.1336 0.0626 0.0676 110 THR H O 3683 C CB . THR B 122 ? 0.5122 0.6880 0.5766 -0.1250 0.0916 0.0890 110 THR H CB 3684 O OG1 . THR B 122 ? 0.5579 0.7013 0.5846 -0.1184 0.0946 0.0948 110 THR H OG1 3685 C CG2 . THR B 122 ? 0.5188 0.7388 0.6022 -0.1236 0.1104 0.0955 110 THR H CG2 3686 N N . VAL B 123 ? 0.5245 0.7734 0.6426 -0.0995 0.0788 0.0674 111 VAL H N 3687 C CA . VAL B 123 ? 0.4214 0.7161 0.5784 -0.1016 0.0741 0.0670 111 VAL H CA 3688 C C . VAL B 123 ? 0.4137 0.7513 0.5966 -0.1003 0.0936 0.0769 111 VAL H C 3689 O O . VAL B 123 ? 0.4557 0.7991 0.6315 -0.0806 0.1080 0.0768 111 VAL H O 3690 C CB . VAL B 123 ? 0.3214 0.6226 0.4794 -0.0810 0.0641 0.0594 111 VAL H CB 3691 C CG1 . VAL B 123 ? 0.4103 0.7615 0.6076 -0.0841 0.0553 0.0614 111 VAL H CG1 3692 C CG2 . VAL B 123 ? 0.3745 0.6336 0.5039 -0.0794 0.0486 0.0502 111 VAL H CG2 3693 N N . SER B 124 ? 0.3914 0.7587 0.6055 -0.1217 0.0953 0.0844 112 SER H N 3694 C CA . SER B 124 ? 0.4480 0.8615 0.6917 -0.1216 0.1155 0.0952 112 SER H CA 3695 C C . SER B 124 ? 0.4658 0.9277 0.7587 -0.1431 0.1094 0.1006 112 SER H C 3696 O O . SER B 124 ? 0.4471 0.8980 0.7456 -0.1652 0.0923 0.0962 112 SER H O 3697 C CB . SER B 124 ? 0.5979 0.9920 0.8181 -0.1278 0.1360 0.1047 112 SER H CB 3698 O OG . SER B 124 ? 0.6487 1.0281 0.8729 -0.1559 0.1324 0.1123 112 SER H OG 3699 N N . SER B 125 ? 0.4268 0.9435 0.7568 -0.1363 0.1240 0.1092 113 SER H N 3700 C CA . SER B 125 ? 0.4266 0.9886 0.8038 -0.1541 0.1193 0.1137 113 SER H CA 3701 C C . SER B 125 ? 0.5483 1.0928 0.9267 -0.1832 0.1263 0.1200 113 SER H C 3702 O O . SER B 125 ? 0.5566 1.0709 0.9060 -0.1838 0.1436 0.1270 113 SER H O 3703 C CB . SER B 125 ? 0.3271 0.9309 0.7330 -0.1323 0.1342 0.1181 113 SER H CB 3704 O OG . SER B 125 ? 0.3588 0.9998 0.8066 -0.1488 0.1324 0.1223 113 SER H OG 3705 N N . ALA B 126 ? 0.6040 1.1655 1.0146 -0.2073 0.1125 0.1175 114 ALA H N 3706 C CA . ALA B 126 ? 0.4674 1.0138 0.8875 -0.2350 0.1206 0.1240 114 ALA H CA 3707 C C . ALA B 126 ? 0.4259 1.0045 0.8696 -0.2308 0.1451 0.1356 114 ALA H C 3708 O O . ALA B 126 ? 0.4445 1.0085 0.8896 -0.2484 0.1593 0.1448 114 ALA H O 3710 N N . SER B 127 ? 0.7801 0.8992 0.4989 -0.0763 -0.0408 -0.1577 115 SER H N 3711 C CA . SER B 127 ? 0.7418 0.8653 0.4993 -0.0782 -0.0562 -0.1457 115 SER H CA 3712 C C . SER B 127 ? 0.6795 0.7663 0.4756 -0.0681 -0.0429 -0.1352 115 SER H C 3713 O O . SER B 127 ? 0.7237 0.7911 0.5190 -0.0566 -0.0273 -0.1242 115 SER H O 3714 C CB . SER B 127 ? 0.8242 0.9854 0.5800 -0.0715 -0.0758 -0.1135 115 SER H CB 3715 O OG . SER B 127 ? 0.9484 1.1491 0.6672 -0.0809 -0.0911 -0.1204 115 SER H OG 3716 N N . THR B 128 ? 0.6509 0.7326 0.4804 -0.0736 -0.0492 -0.1385 116 THR H N 3717 C CA . THR B 128 ? 0.6171 0.6701 0.4810 -0.0645 -0.0391 -0.1266 116 THR H CA 3718 C C . THR B 128 ? 0.5365 0.6113 0.4289 -0.0607 -0.0536 -0.1074 116 THR H C 3719 O O . THR B 128 ? 0.6104 0.7201 0.5052 -0.0690 -0.0704 -0.1101 116 THR H O 3720 C CB . THR B 128 ? 0.6314 0.6500 0.5097 -0.0735 -0.0266 -0.1498 116 THR H CB 3721 O OG1 . THR B 128 ? 0.6926 0.7264 0.5837 -0.0915 -0.0387 -0.1645 116 THR H OG1 3722 C CG2 . THR B 128 ? 0.6756 0.6716 0.5266 -0.0745 -0.0118 -0.1723 116 THR H CG2 3723 N N . LYS B 129 ? 0.5138 0.5706 0.4277 -0.0473 -0.0471 -0.0889 117 LYS H N 3724 C CA . LYS B 129 ? 0.5875 0.6607 0.5297 -0.0402 -0.0568 -0.0732 117 LYS H CA 3725 C C . LYS B 129 ? 0.5222 0.5671 0.4897 -0.0352 -0.0440 -0.0711 117 LYS H C 3726 O O . LYS B 129 ? 0.5927 0.6092 0.5561 -0.0264 -0.0330 -0.0638 117 LYS H O 3727 C CB . LYS B 129 ? 0.5983 0.6836 0.5332 -0.0246 -0.0662 -0.0471 117 LYS H CB 3728 C CG . LYS B 129 ? 0.6467 0.7431 0.6111 -0.0116 -0.0736 -0.0313 117 LYS H CG 3729 C CD . LYS B 129 ? 0.7156 0.8248 0.6715 0.0033 -0.0862 -0.0063 117 LYS H CD 3730 C CE . LYS B 129 ? 0.8419 0.9491 0.8265 0.0216 -0.0890 0.0083 117 LYS H CE 3731 N NZ . LYS B 129 ? 0.9334 1.0698 0.9496 0.0187 -0.0916 -0.0024 117 LYS H NZ 3732 N N . GLY B 130 ? 0.5555 0.6124 0.5490 -0.0422 -0.0457 -0.0770 118 GLY H N 3733 C CA . GLY B 130 ? 0.5304 0.5666 0.5459 -0.0383 -0.0338 -0.0735 118 GLY H CA 3734 C C . GLY B 130 ? 0.5427 0.5785 0.5673 -0.0187 -0.0347 -0.0539 118 GLY H C 3735 O O . GLY B 130 ? 0.5425 0.6004 0.5671 -0.0088 -0.0466 -0.0424 118 GLY H O 3736 N N . PRO B 131 ? 0.5837 0.5926 0.6148 -0.0125 -0.0225 -0.0502 119 PRO H N 3737 C CA . PRO B 131 ? 0.5184 0.5185 0.5537 0.0050 -0.0219 -0.0361 119 PRO H CA 3738 C C . PRO B 131 ? 0.4909 0.5178 0.5505 0.0132 -0.0250 -0.0319 119 PRO H C 3739 O O . PRO B 131 ? 0.5036 0.5519 0.5821 0.0032 -0.0223 -0.0389 119 PRO H O 3740 C CB . PRO B 131 ? 0.4567 0.4247 0.4892 0.0052 -0.0084 -0.0373 119 PRO H CB 3741 C CG . PRO B 131 ? 0.6403 0.5971 0.6669 -0.0090 -0.0018 -0.0492 119 PRO H CG 3742 C CD . PRO B 131 ? 0.6013 0.5845 0.6340 -0.0217 -0.0092 -0.0595 119 PRO H CD 3743 N N . SER B 132 ? 0.4728 0.4982 0.5332 0.0315 -0.0299 -0.0204 120 SER H N 3744 C CA . SER B 132 ? 0.5469 0.5885 0.6295 0.0453 -0.0273 -0.0173 120 SER H CA 3745 C C . SER B 132 ? 0.4999 0.5101 0.5765 0.0498 -0.0137 -0.0195 120 SER H C 3746 O O . SER B 132 ? 0.6569 0.6329 0.7134 0.0506 -0.0124 -0.0174 120 SER H O 3747 C CB . SER B 132 ? 0.6480 0.6980 0.7342 0.0659 -0.0384 -0.0050 120 SER H CB 3748 O OG . SER B 132 ? 0.7999 0.8854 0.8907 0.0622 -0.0528 -0.0008 120 SER H OG 3749 N N . VAL B 133 ? 0.4293 0.4548 0.5229 0.0515 -0.0038 -0.0231 121 VAL H N 3750 C CA . VAL B 133 ? 0.3954 0.3960 0.4795 0.0552 0.0087 -0.0250 121 VAL H CA 3751 C C . VAL B 133 ? 0.5606 0.5714 0.6545 0.0753 0.0141 -0.0248 121 VAL H C 3752 O O . VAL B 133 ? 0.5378 0.5865 0.6560 0.0782 0.0191 -0.0255 121 VAL H O 3753 C CB . VAL B 133 ? 0.4431 0.4466 0.5314 0.0378 0.0200 -0.0288 121 VAL H CB 3754 C CG1 . VAL B 133 ? 0.4886 0.4685 0.5625 0.0422 0.0312 -0.0280 121 VAL H CG1 3755 C CG2 . VAL B 133 ? 0.4957 0.4858 0.5752 0.0207 0.0161 -0.0319 121 VAL H CG2 3756 N N . PHE B 134 ? 0.5011 0.4787 0.5770 0.0889 0.0135 -0.0250 122 PHE H N 3757 C CA . PHE B 134 ? 0.5464 0.5247 0.6266 0.1108 0.0192 -0.0284 122 PHE H CA 3758 C C . PHE B 134 ? 0.5866 0.5407 0.6460 0.1115 0.0305 -0.0359 122 PHE H C 3759 O O . PHE B 134 ? 0.5384 0.4620 0.5760 0.1008 0.0278 -0.0360 122 PHE H O 3760 C CB . PHE B 134 ? 0.5291 0.4846 0.6045 0.1280 0.0078 -0.0239 122 PHE H CB 3761 C CG . PHE B 134 ? 0.5301 0.5091 0.6200 0.1276 -0.0055 -0.0135 122 PHE H CG 3762 C CD1 . PHE B 134 ? 0.4929 0.5206 0.6124 0.1360 -0.0067 -0.0109 122 PHE H CD1 3763 C CD2 . PHE B 134 ? 0.5892 0.5464 0.6628 0.1185 -0.0171 -0.0055 122 PHE H CD2 3764 C CE1 . PHE B 134 ? 0.5576 0.6115 0.6882 0.1351 -0.0216 -0.0010 122 PHE H CE1 3765 C CE2 . PHE B 134 ? 0.6291 0.6104 0.7106 0.1181 -0.0298 0.0046 122 PHE H CE2 3766 C CZ . PHE B 134 ? 0.5527 0.5820 0.6616 0.1264 -0.0332 0.0067 122 PHE H CZ 3767 N N . PRO B 135 ? 0.6023 0.5745 0.6683 0.1245 0.0433 -0.0419 123 PRO H N 3768 C CA . PRO B 135 ? 0.6227 0.5768 0.6645 0.1258 0.0542 -0.0498 123 PRO H CA 3769 C C . PRO B 135 ? 0.6319 0.5407 0.6484 0.1381 0.0483 -0.0584 123 PRO H C 3770 O O . PRO B 135 ? 0.6177 0.5159 0.6411 0.1563 0.0436 -0.0609 123 PRO H O 3771 C CB . PRO B 135 ? 0.6555 0.6495 0.7139 0.1378 0.0708 -0.0536 123 PRO H CB 3772 C CG . PRO B 135 ? 0.6487 0.6668 0.7367 0.1547 0.0655 -0.0514 123 PRO H CG 3773 C CD . PRO B 135 ? 0.6472 0.6631 0.7437 0.1396 0.0486 -0.0415 123 PRO H CD 3774 N N . LEU B 136 ? 0.6176 0.4994 0.6063 0.1274 0.0473 -0.0622 124 LEU H N 3775 C CA . LEU B 136 ? 0.6262 0.4671 0.5885 0.1353 0.0431 -0.0742 124 LEU H CA 3776 C C . LEU B 136 ? 0.7189 0.5676 0.6622 0.1436 0.0576 -0.0870 124 LEU H C 3777 O O . LEU B 136 ? 0.6914 0.5386 0.6129 0.1311 0.0594 -0.0874 124 LEU H O 3778 C CB . LEU B 136 ? 0.6816 0.4934 0.6264 0.1166 0.0303 -0.0702 124 LEU H CB 3779 C CG . LEU B 136 ? 0.6170 0.4202 0.5754 0.1085 0.0176 -0.0580 124 LEU H CG 3780 C CD1 . LEU B 136 ? 0.5853 0.3775 0.5332 0.0884 0.0097 -0.0517 124 LEU H CD1 3781 C CD2 . LEU B 136 ? 0.5856 0.3574 0.5436 0.1214 0.0098 -0.0604 124 LEU H CD2 3782 N N . ALA B 137 ? 0.6178 0.4783 0.5698 0.1662 0.0683 -0.0965 125 ALA H N 3783 C CA . ALA B 137 ? 0.7014 0.5811 0.6388 0.1769 0.0866 -0.1085 125 ALA H CA 3784 C C . ALA B 137 ? 0.8112 0.6549 0.7043 0.1748 0.0849 -0.1250 125 ALA H C 3785 O O . ALA B 137 ? 0.8450 0.6428 0.7235 0.1763 0.0722 -0.1348 125 ALA H O 3786 C CB . ALA B 137 ? 0.7140 0.6118 0.6721 0.2058 0.0981 -0.1170 125 ALA H CB 3787 N N . PRO B 138 ? 0.8402 0.7058 0.7111 0.1698 0.0973 -0.1274 126 PRO H N 3788 C CA . PRO B 138 ? 0.8991 0.7413 0.7237 0.1669 0.0963 -0.1435 126 PRO H CA 3789 C C . PRO B 138 ? 0.9991 0.7980 0.8038 0.1846 0.0936 -0.1701 126 PRO H C 3790 O O . PRO B 138 ? 1.2365 0.9911 1.0319 0.1758 0.0755 -0.1751 126 PRO H O 3791 C CB . PRO B 138 ? 0.7955 0.6810 0.6080 0.1704 0.1178 -0.1422 126 PRO H CB 3792 C CG . PRO B 138 ? 0.7698 0.6942 0.6199 0.1594 0.1229 -0.1169 126 PRO H CG 3793 C CD . PRO B 138 ? 0.7127 0.6303 0.6021 0.1648 0.1133 -0.1127 126 PRO H CD 3794 N N . SER B 139 ? 0.8584 0.6693 0.6578 0.2090 0.1123 -0.1868 127 SER H N 3795 C CA . SER B 139 ? 1.1551 0.9207 0.9373 0.2305 0.1127 -0.2144 127 SER H CA 3796 C C . SER B 139 ? 1.4250 1.2195 1.2132 0.2620 0.1383 -0.2286 127 SER H C 3797 O O . SER B 139 ? 1.5589 1.4066 1.3837 0.2694 0.1514 -0.2123 127 SER H O 3798 C CB . SER B 139 ? 1.1938 0.9178 0.9237 0.2181 0.1027 -0.2364 127 SER H CB 3799 O OG . SER B 139 ? 1.2641 1.0204 0.9597 0.2160 0.1166 -0.2438 127 SER H OG 3800 N N . SER B 140 ? 1.5022 1.2709 1.2661 0.2695 0.1429 -0.2541 128 SER H N 3801 C CA . SER B 140 ? 1.5599 1.3577 1.3376 0.2925 0.1656 -0.2658 128 SER H CA 3802 C C . SER B 140 ? 1.7251 1.5652 1.4699 0.2903 0.1861 -0.2733 128 SER H C 3803 O O . SER B 140 ? 1.7624 1.6605 1.5228 0.2910 0.2011 -0.2554 128 SER H O 3804 C CB . SER B 140 ? 1.5756 1.3203 1.3484 0.3029 0.1621 -0.2894 128 SER H CB 3805 O OG . SER B 140 ? 1.6468 1.4178 1.4351 0.3279 0.1850 -0.3013 128 SER H OG 3806 N N . LYS B 141 ? 1.7871 1.5994 1.4863 0.2857 0.1867 -0.2989 129 LYS H N 3807 C CA . LYS B 141 ? 1.7881 1.6378 1.4492 0.2829 0.2053 -0.3069 129 LYS H CA 3808 C C . LYS B 141 ? 1.8818 1.7409 1.5053 0.2588 0.1946 -0.2936 129 LYS H C 3809 O O . LYS B 141 ? 1.8658 1.6853 1.4772 0.2430 0.1701 -0.2915 129 LYS H O 3810 C CB . LYS B 141 ? 1.7176 1.5345 1.3432 0.2883 0.2108 -0.3419 129 LYS H CB 3811 C CG . LYS B 141 ? 1.6260 1.4832 1.2119 0.2881 0.2332 -0.3519 129 LYS H CG 3812 C CD . LYS B 141 ? 1.6491 1.4662 1.1929 0.2896 0.2354 -0.3895 129 LYS H CD 3813 C CE . LYS B 141 ? 1.6739 1.4358 1.1830 0.2660 0.2058 -0.4016 129 LYS H CE 3814 N NZ . LYS B 141 ? 1.6549 1.4413 1.1324 0.2425 0.1929 -0.3826 129 LYS H NZ 3815 N N . SER B 142 ? 1.9543 1.8670 1.5607 0.2556 0.2133 -0.2822 130 SER H N 3816 C CA . SER B 142 ? 1.9109 1.8360 1.4780 0.2347 0.2052 -0.2669 130 SER H CA 3817 C C . SER B 142 ? 1.9882 1.8849 1.4951 0.2228 0.1937 -0.2911 130 SER H C 3818 O O . SER B 142 ? 1.9747 1.8944 1.4498 0.2248 0.2100 -0.3029 130 SER H O 3819 C CB . SER B 142 ? 1.8041 1.7966 1.3750 0.2329 0.2297 -0.2416 130 SER H CB 3820 O OG . SER B 142 ? 1.6661 1.6857 1.2941 0.2325 0.2340 -0.2140 130 SER H OG 3821 N N . THR B 143 ? 2.0416 1.8902 1.5338 0.2088 0.1652 -0.2982 131 THR H N 3822 C CA . THR B 143 ? 2.0672 1.8917 1.5056 0.1927 0.1495 -0.3200 131 THR H CA 3823 C C . THR B 143 ? 2.0864 1.9486 1.4836 0.1769 0.1456 -0.3001 131 THR H C 3824 O O . THR B 143 ? 2.0792 1.9303 1.4680 0.1590 0.1211 -0.2864 131 THR H O 3825 C CB . THR B 143 ? 1.9808 1.7456 1.4226 0.1786 0.1189 -0.3318 131 THR H CB 3826 O OG1 . THR B 143 ? 1.8400 1.6059 1.3021 0.1672 0.1023 -0.3030 131 THR H OG1 3827 C CG2 . THR B 143 ? 1.9666 1.6910 1.4472 0.1931 0.1220 -0.3482 131 THR H CG2 3828 N N . SER B 144 ? 2.0775 1.9865 1.4550 0.1817 0.1696 -0.2943 132 SER H N 3829 C CA . SER B 144 ? 2.0296 1.9749 1.3638 0.1666 0.1670 -0.2739 132 SER H CA 3830 C C . SER B 144 ? 2.0187 1.9373 1.3022 0.1487 0.1408 -0.2953 132 SER H C 3831 O O . SER B 144 ? 2.1127 2.0131 1.3682 0.1489 0.1444 -0.3283 132 SER H O 3832 C CB . SER B 144 ? 2.0446 2.0395 1.3648 0.1732 0.1985 -0.2664 132 SER H CB 3833 O OG . SER B 144 ? 1.9766 2.0063 1.3463 0.1837 0.2209 -0.2408 132 SER H OG 3834 N N . GLY B 145 ? 1.8815 1.7990 1.1547 0.1327 0.1144 -0.2763 133 GLY H N 3835 C CA . GLY B 145 ? 1.8431 1.7400 1.0774 0.1125 0.0846 -0.2936 133 GLY H CA 3836 C C . GLY B 145 ? 1.7531 1.6090 1.0183 0.1022 0.0563 -0.2942 133 GLY H C 3837 O O . GLY B 145 ? 1.8478 1.6742 1.0934 0.0859 0.0315 -0.3170 133 GLY H O 3838 N N . GLY B 146 ? 1.4530 1.3120 0.7825 0.1041 0.0607 -0.2638 134 GLY H N 3839 C CA . GLY B 146 ? 1.0602 0.8882 0.4351 0.0908 0.0379 -0.2557 134 GLY H CA 3840 C C . GLY B 146 ? 1.1762 1.0249 0.6107 0.0904 0.0436 -0.2149 134 GLY H C 3841 O O . GLY B 146 ? 1.2313 1.1168 0.6725 0.0976 0.0633 -0.1918 134 GLY H O 3842 N N . THR B 147 ? 1.0965 0.9211 0.5732 0.0805 0.0268 -0.2065 135 THR H N 3843 C CA . THR B 147 ? 1.0759 0.9155 0.6068 0.0794 0.0308 -0.1724 135 THR H CA 3844 C C . THR B 147 ? 0.9684 0.7792 0.5418 0.0890 0.0362 -0.1794 135 THR H C 3845 O O . THR B 147 ? 0.9654 0.7362 0.5353 0.0889 0.0263 -0.2033 135 THR H O 3846 C CB . THR B 147 ? 1.1007 0.9478 0.6475 0.0601 0.0072 -0.1488 135 THR H CB 3847 O OG1 . THR B 147 ? 1.1216 0.9361 0.6684 0.0476 -0.0150 -0.1677 135 THR H OG1 3848 C CG2 . THR B 147 ? 0.9889 0.8707 0.4989 0.0533 0.0014 -0.1341 135 THR H CG2 3849 N N . ALA B 148 ? 0.8834 0.7142 0.4962 0.0962 0.0511 -0.1577 136 ALA H N 3850 C CA . ALA B 148 ? 0.7977 0.6106 0.4507 0.1069 0.0566 -0.1609 136 ALA H CA 3851 C C . ALA B 148 ? 0.8116 0.6238 0.5075 0.0951 0.0453 -0.1365 136 ALA H C 3852 O O . ALA B 148 ? 0.9211 0.7563 0.6252 0.0844 0.0429 -0.1128 136 ALA H O 3853 C CB . ALA B 148 ? 0.8187 0.6593 0.4846 0.1254 0.0830 -0.1597 136 ALA H CB 3854 N N . ALA B 149 ? 0.7313 0.5162 0.4532 0.0983 0.0392 -0.1420 137 ALA H N 3855 C CA . ALA B 149 ? 0.7186 0.5042 0.4786 0.0888 0.0306 -0.1212 137 ALA H CA 3856 C C . ALA B 149 ? 0.7266 0.5246 0.5219 0.1013 0.0435 -0.1140 137 ALA H C 3857 O O . ALA B 149 ? 0.7933 0.5806 0.5920 0.1179 0.0508 -0.1282 137 ALA H O 3858 C CB . ALA B 149 ? 0.7059 0.4555 0.4681 0.0783 0.0113 -0.1279 137 ALA H CB 3859 N N . LEU B 150 ? 0.5883 0.4096 0.4103 0.0936 0.0457 -0.0923 138 LEU H N 3860 C CA . LEU B 150 ? 0.5972 0.4348 0.4541 0.1007 0.0544 -0.0847 138 LEU H CA 3861 C C . LEU B 150 ? 0.6108 0.4506 0.4925 0.0872 0.0456 -0.0673 138 LEU H C 3862 O O . LEU B 150 ? 0.6627 0.4976 0.5368 0.0747 0.0369 -0.0591 138 LEU H O 3863 C CB . LEU B 150 ? 0.5861 0.4605 0.4475 0.1066 0.0743 -0.0800 138 LEU H CB 3864 C CG . LEU B 150 ? 0.5339 0.4293 0.3922 0.0927 0.0796 -0.0612 138 LEU H CG 3865 C CD1 . LEU B 150 ? 0.7128 0.6241 0.6079 0.0841 0.0824 -0.0451 138 LEU H CD1 3866 C CD2 . LEU B 150 ? 0.6254 0.5453 0.4621 0.0983 0.0973 -0.0625 138 LEU H CD2 3867 N N . GLY B 151 ? 0.5809 0.4309 0.4919 0.0905 0.0477 -0.0622 139 GLY H N 3868 C CA . GLY B 151 ? 0.5138 0.3661 0.4444 0.0784 0.0406 -0.0492 139 GLY H CA 3869 C C . GLY B 151 ? 0.5828 0.4513 0.5422 0.0815 0.0421 -0.0455 139 GLY H C 3870 O O . GLY B 151 ? 0.5400 0.4255 0.5107 0.0935 0.0497 -0.0502 139 GLY H O 3871 N N . CYS B 152 ? 0.5107 0.3776 0.4820 0.0709 0.0348 -0.0374 140 CYS H N 3872 C CA . CYS B 152 ? 0.5839 0.4668 0.5783 0.0709 0.0326 -0.0342 140 CYS H CA 3873 C C . CYS B 152 ? 0.5926 0.4577 0.5857 0.0688 0.0197 -0.0313 140 CYS H C 3874 O O . CYS B 152 ? 0.5514 0.4012 0.5344 0.0597 0.0148 -0.0280 140 CYS H O 3875 C CB . CYS B 152 ? 0.5634 0.4655 0.5719 0.0577 0.0385 -0.0282 140 CYS H CB 3876 S SG . CYS B 152 ? 0.7176 0.6485 0.7362 0.0570 0.0550 -0.0270 140 CYS H SG 3877 N N . LEU B 153 ? 0.5978 0.4683 0.6020 0.0778 0.0146 -0.0306 141 LEU H N 3878 C CA . LEU B 153 ? 0.5213 0.3795 0.5241 0.0750 0.0032 -0.0239 141 LEU H CA 3879 C C . LEU B 153 ? 0.5155 0.3995 0.5316 0.0666 0.0012 -0.0193 141 LEU H C 3880 O O . LEU B 153 ? 0.5665 0.4774 0.5991 0.0715 0.0016 -0.0197 141 LEU H O 3881 C CB . LEU B 153 ? 0.4550 0.2982 0.4583 0.0911 -0.0029 -0.0231 141 LEU H CB 3882 C CG . LEU B 153 ? 0.5030 0.3366 0.5056 0.0892 -0.0143 -0.0115 141 LEU H CG 3883 C CD1 . LEU B 153 ? 0.5384 0.3488 0.5257 0.0740 -0.0182 -0.0074 141 LEU H CD1 3884 C CD2 . LEU B 153 ? 0.5562 0.3717 0.5613 0.1082 -0.0197 -0.0083 141 LEU H CD2 3885 N N . VAL B 154 ? 0.4801 0.3585 0.4892 0.0539 -0.0009 -0.0162 142 VAL H N 3886 C CA . VAL B 154 ? 0.4375 0.3357 0.4532 0.0443 -0.0019 -0.0162 142 VAL H CA 3887 C C . VAL B 154 ? 0.5085 0.4066 0.5174 0.0440 -0.0117 -0.0089 142 VAL H C 3888 O O . VAL B 154 ? 0.5148 0.3989 0.5119 0.0383 -0.0128 -0.0046 142 VAL H O 3889 C CB . VAL B 154 ? 0.4395 0.3318 0.4513 0.0326 0.0053 -0.0193 142 VAL H CB 3890 C CG1 . VAL B 154 ? 0.5826 0.4902 0.5992 0.0226 0.0055 -0.0241 142 VAL H CG1 3891 C CG2 . VAL B 154 ? 0.4868 0.3769 0.5019 0.0331 0.0146 -0.0217 142 VAL H CG2 3892 N N . LYS B 155 ? 0.4725 0.3907 0.4897 0.0503 -0.0189 -0.0057 143 LYS H N 3893 C CA . LYS B 155 ? 0.5396 0.4560 0.5484 0.0543 -0.0294 0.0060 143 LYS H CA 3894 C C . LYS B 155 ? 0.5454 0.4914 0.5522 0.0470 -0.0362 0.0072 143 LYS H C 3895 O O . LYS B 155 ? 0.5643 0.5385 0.5840 0.0434 -0.0370 -0.0007 143 LYS H O 3896 C CB . LYS B 155 ? 0.4732 0.3837 0.4901 0.0729 -0.0349 0.0128 143 LYS H CB 3897 C CG . LYS B 155 ? 0.6702 0.5698 0.6779 0.0792 -0.0458 0.0294 143 LYS H CG 3898 C CD . LYS B 155 ? 0.7160 0.5766 0.7213 0.0925 -0.0467 0.0342 143 LYS H CD 3899 C CE . LYS B 155 ? 0.8233 0.6667 0.8197 0.0978 -0.0573 0.0543 143 LYS H CE 3900 N NZ . LYS B 155 ? 1.0201 0.8130 1.0100 0.1040 -0.0574 0.0573 143 LYS H NZ 3901 N N . ASP B 156 ? 0.5470 0.4877 0.5364 0.0431 -0.0411 0.0170 144 ASP H N 3902 C CA . ASP B 156 ? 0.5363 0.5047 0.5159 0.0380 -0.0496 0.0206 144 ASP H CA 3903 C C . ASP B 156 ? 0.5296 0.5172 0.5067 0.0234 -0.0452 0.0029 144 ASP H C 3904 O O . ASP B 156 ? 0.5492 0.5665 0.5339 0.0198 -0.0522 -0.0036 144 ASP H O 3905 C CB . ASP B 156 ? 0.5461 0.5382 0.5379 0.0509 -0.0624 0.0299 144 ASP H CB 3906 C CG . ASP B 156 ? 0.6649 0.6330 0.6549 0.0668 -0.0681 0.0493 144 ASP H CG 3907 O OD1 . ASP B 156 ? 0.5773 0.5136 0.5526 0.0628 -0.0643 0.0569 144 ASP H OD1 3908 O OD2 . ASP B 156 ? 0.7429 0.7238 0.7479 0.0832 -0.0764 0.0573 144 ASP H OD2 3909 N N . TYR B 157 ? 0.4257 0.3962 0.3935 0.0149 -0.0341 -0.0050 145 TYR H N 3910 C CA . TYR B 157 ? 0.4598 0.4391 0.4223 0.0025 -0.0285 -0.0228 145 TYR H CA 3911 C C . TYR B 157 ? 0.5269 0.5051 0.4654 -0.0025 -0.0239 -0.0234 145 TYR H C 3912 O O . TYR B 157 ? 0.5244 0.4932 0.4548 0.0015 -0.0222 -0.0088 145 TYR H O 3913 C CB . TYR B 157 ? 0.4666 0.4274 0.4432 -0.0004 -0.0167 -0.0339 145 TYR H CB 3914 C CG . TYR B 157 ? 0.5216 0.4567 0.4962 0.0042 -0.0076 -0.0280 145 TYR H CG 3915 C CD1 . TYR B 157 ? 0.5032 0.4303 0.4679 0.0006 0.0014 -0.0330 145 TYR H CD1 3916 C CD2 . TYR B 157 ? 0.5394 0.4611 0.5226 0.0124 -0.0083 -0.0186 145 TYR H CD2 3917 C CE1 . TYR B 157 ? 0.4615 0.3732 0.4286 0.0045 0.0080 -0.0263 145 TYR H CE1 3918 C CE2 . TYR B 157 ? 0.4795 0.3822 0.4608 0.0140 -0.0026 -0.0139 145 TYR H CE2 3919 C CZ . TYR B 157 ? 0.5011 0.4016 0.4763 0.0097 0.0048 -0.0165 145 TYR H CZ 3920 O OH . TYR B 157 ? 0.6033 0.4928 0.5809 0.0112 0.0088 -0.0106 145 TYR H OH 3921 N N . PHE B 158 ? 0.4690 0.4572 0.3967 -0.0121 -0.0210 -0.0411 146 PHE H N 3922 C CA . PHE B 158 ? 0.4822 0.4736 0.3852 -0.0157 -0.0139 -0.0461 146 PHE H CA 3923 C C . PHE B 158 ? 0.5414 0.5311 0.4373 -0.0252 -0.0074 -0.0731 146 PHE H C 3924 O O . PHE B 158 ? 0.5280 0.5286 0.4284 -0.0338 -0.0158 -0.0854 146 PHE H O 3925 C CB . PHE B 158 ? 0.5191 0.5356 0.3997 -0.0157 -0.0248 -0.0324 146 PHE H CB 3926 C CG . PHE B 158 ? 0.5767 0.6012 0.4291 -0.0188 -0.0155 -0.0344 146 PHE H CG 3927 C CD1 . PHE B 158 ? 0.5739 0.6135 0.4033 -0.0268 -0.0136 -0.0563 146 PHE H CD1 3928 C CD2 . PHE B 158 ? 0.6587 0.6772 0.5075 -0.0149 -0.0079 -0.0155 146 PHE H CD2 3929 C CE1 . PHE B 158 ? 0.6481 0.6978 0.4494 -0.0278 -0.0024 -0.0599 146 PHE H CE1 3930 C CE2 . PHE B 158 ? 0.6488 0.6811 0.4737 -0.0177 0.0032 -0.0161 146 PHE H CE2 3931 C CZ . PHE B 158 ? 0.6577 0.7063 0.4579 -0.0226 0.0069 -0.0386 146 PHE H CZ 3932 N N . PRO B 159 ? 0.6544 0.6299 0.5413 -0.0236 0.0078 -0.0830 147 PRO H N 3933 C CA . PRO B 159 ? 0.6393 0.6071 0.5283 -0.0148 0.0184 -0.0687 147 PRO H CA 3934 C C . PRO B 159 ? 0.6177 0.5608 0.5328 -0.0090 0.0248 -0.0653 147 PRO H C 3935 O O . PRO B 159 ? 0.5936 0.5262 0.5239 -0.0113 0.0208 -0.0698 147 PRO H O 3936 C CB . PRO B 159 ? 0.5561 0.5280 0.4246 -0.0147 0.0322 -0.0846 147 PRO H CB 3937 C CG . PRO B 159 ? 0.5840 0.5418 0.4513 -0.0211 0.0337 -0.1121 147 PRO H CG 3938 C CD . PRO B 159 ? 0.6439 0.6129 0.5168 -0.0306 0.0157 -0.1108 147 PRO H CD 3939 N N . GLU B 160 ? 0.5511 0.4897 0.4715 -0.0024 0.0344 -0.0563 148 GLU H N 3940 C CA . GLU B 160 ? 0.5930 0.5124 0.5348 0.0036 0.0403 -0.0535 148 GLU H CA 3941 C C . GLU B 160 ? 0.6012 0.5031 0.5463 0.0056 0.0511 -0.0729 148 GLU H C 3942 O O . GLU B 160 ? 0.6075 0.5120 0.5369 0.0036 0.0571 -0.0898 148 GLU H O 3943 C CB . GLU B 160 ? 0.5842 0.5109 0.5323 0.0087 0.0458 -0.0385 148 GLU H CB 3944 C CG . GLU B 160 ? 0.6265 0.5596 0.5743 0.0049 0.0352 -0.0185 148 GLU H CG 3945 C CD . GLU B 160 ? 0.8021 0.7256 0.7676 0.0071 0.0332 -0.0073 148 GLU H CD 3946 O OE1 . GLU B 160 ? 0.8714 0.8060 0.8417 0.0052 0.0360 0.0041 148 GLU H OE1 3947 O OE2 . GLU B 160 ? 0.8990 0.8069 0.8732 0.0094 0.0289 -0.0097 148 GLU H OE2 3948 N N . PRO B 161 ? 0.6017 0.4831 0.5649 0.0094 0.0538 -0.0707 149 PRO H N 3949 C CA . PRO B 161 ? 0.5617 0.4394 0.5390 0.0116 0.0474 -0.0543 149 PRO H CA 3950 C C . PRO B 161 ? 0.5972 0.4653 0.5817 0.0057 0.0420 -0.0568 149 PRO H C 3951 O O . PRO B 161 ? 0.5678 0.4287 0.5512 -0.0014 0.0439 -0.0708 149 PRO H O 3952 C CB . PRO B 161 ? 0.5807 0.4479 0.5706 0.0217 0.0567 -0.0495 149 PRO H CB 3953 C CG . PRO B 161 ? 0.5292 0.3777 0.5176 0.0236 0.0675 -0.0671 149 PRO H CG 3954 C CD . PRO B 161 ? 0.6567 0.5159 0.6257 0.0154 0.0665 -0.0831 149 PRO H CD 3955 N N . VAL B 162 ? 0.5030 0.3720 0.4946 0.0078 0.0360 -0.0442 150 VAL H N 3956 C CA . VAL B 162 ? 0.6136 0.4753 0.6149 0.0050 0.0355 -0.0440 150 VAL H CA 3957 C C . VAL B 162 ? 0.6123 0.4607 0.6199 0.0117 0.0403 -0.0340 150 VAL H C 3958 O O . VAL B 162 ? 0.5131 0.3642 0.5194 0.0179 0.0389 -0.0255 150 VAL H O 3959 C CB . VAL B 162 ? 0.6573 0.5334 0.6602 0.0041 0.0260 -0.0392 150 VAL H CB 3960 C CG1 . VAL B 162 ? 0.6248 0.5189 0.6222 -0.0012 0.0187 -0.0457 150 VAL H CG1 3961 C CG2 . VAL B 162 ? 0.7206 0.5959 0.7198 0.0114 0.0211 -0.0275 150 VAL H CG2 3962 N N . THR B 163 ? 0.5919 0.4286 0.6066 0.0089 0.0454 -0.0338 151 THR H N 3963 C CA . THR B 163 ? 0.4946 0.3220 0.5121 0.0151 0.0485 -0.0216 151 THR H CA 3964 C C . THR B 163 ? 0.4937 0.3275 0.5123 0.0118 0.0472 -0.0173 151 THR H C 3965 O O . THR B 163 ? 0.5152 0.3580 0.5391 0.0041 0.0469 -0.0239 151 THR H O 3966 C CB . THR B 163 ? 0.4492 0.2541 0.4725 0.0170 0.0583 -0.0205 151 THR H CB 3967 O OG1 . THR B 163 ? 0.5418 0.3359 0.5697 0.0053 0.0627 -0.0303 151 THR H OG1 3968 C CG2 . THR B 163 ? 0.5664 0.3673 0.5900 0.0253 0.0619 -0.0247 151 THR H CG2 3969 N N . VAL B 164 ? 0.4926 0.3263 0.5062 0.0178 0.0464 -0.0067 152 VAL H N 3970 C CA . VAL B 164 ? 0.4511 0.2924 0.4624 0.0169 0.0480 -0.0033 152 VAL H CA 3971 C C . VAL B 164 ? 0.5739 0.4068 0.5803 0.0196 0.0536 0.0096 152 VAL H C 3972 O O . VAL B 164 ? 0.5781 0.4068 0.5785 0.0263 0.0502 0.0171 152 VAL H O 3973 C CB . VAL B 164 ? 0.5073 0.3591 0.5099 0.0224 0.0399 -0.0055 152 VAL H CB 3974 C CG1 . VAL B 164 ? 0.5403 0.4023 0.5409 0.0240 0.0442 -0.0054 152 VAL H CG1 3975 C CG2 . VAL B 164 ? 0.4635 0.3216 0.4694 0.0214 0.0330 -0.0131 152 VAL H CG2 3976 N N . SER B 165 ? 0.5999 0.4337 0.6097 0.0136 0.0622 0.0139 153 SER H N 3977 C CA . SER B 165 ? 0.5187 0.3485 0.5195 0.0159 0.0679 0.0293 153 SER H CA 3978 C C . SER B 165 ? 0.5797 0.4293 0.5736 0.0150 0.0722 0.0292 153 SER H C 3979 O O . SER B 165 ? 0.5273 0.3922 0.5292 0.0131 0.0716 0.0180 153 SER H O 3980 C CB . SER B 165 ? 0.5071 0.3162 0.5175 0.0092 0.0775 0.0388 153 SER H CB 3981 O OG . SER B 165 ? 0.6247 0.4386 0.6480 -0.0047 0.0848 0.0339 153 SER H OG 3982 N N . TRP B 166 ? 0.6024 0.4546 0.5809 0.0178 0.0769 0.0423 154 TRP H N 3983 C CA . TRP B 166 ? 0.5100 0.3832 0.4789 0.0184 0.0843 0.0419 154 TRP H CA 3984 C C . TRP B 166 ? 0.5385 0.4134 0.5064 0.0107 0.0982 0.0600 154 TRP H C 3985 O O . TRP B 166 ? 0.5571 0.4167 0.5154 0.0117 0.0985 0.0769 154 TRP H O 3986 C CB . TRP B 166 ? 0.5099 0.3890 0.4527 0.0290 0.0768 0.0376 154 TRP H CB 3987 C CG . TRP B 166 ? 0.5691 0.4469 0.5139 0.0343 0.0658 0.0201 154 TRP H CG 3988 C CD1 . TRP B 166 ? 0.5525 0.4179 0.4990 0.0355 0.0533 0.0168 154 TRP H CD1 3989 C CD2 . TRP B 166 ? 0.5937 0.4828 0.5405 0.0396 0.0672 0.0059 154 TRP H CD2 3990 N NE1 . TRP B 166 ? 0.5751 0.4402 0.5226 0.0390 0.0466 0.0028 154 TRP H NE1 3991 C CE2 . TRP B 166 ? 0.6282 0.5056 0.5760 0.0430 0.0543 -0.0041 154 TRP H CE2 3992 C CE3 . TRP B 166 ? 0.5887 0.4984 0.5384 0.0428 0.0789 0.0020 154 TRP H CE3 3993 C CZ2 . TRP B 166 ? 0.5617 0.4410 0.5117 0.0507 0.0518 -0.0169 154 TRP H CZ2 3994 C CZ3 . TRP B 166 ? 0.6064 0.5224 0.5606 0.0527 0.0768 -0.0125 154 TRP H CZ3 3995 C CH2 . TRP B 166 ? 0.5265 0.4244 0.4802 0.0570 0.0628 -0.0212 154 TRP H CH2 3996 N N . ASN B 167 ? 0.6000 0.4955 0.5797 0.0031 0.1096 0.0582 155 ASN H N 3997 C CA . ASN B 167 ? 0.6826 0.5832 0.6655 -0.0084 0.1250 0.0766 155 ASN H CA 3998 C C . ASN B 167 ? 0.6628 0.5297 0.6568 -0.0185 0.1258 0.0900 155 ASN H C 3999 O O . ASN B 167 ? 0.6081 0.4616 0.5910 -0.0205 0.1324 0.1122 155 ASN H O 4000 C CB . ASN B 167 ? 0.5761 0.4893 0.5277 -0.0009 0.1313 0.0897 155 ASN H CB 4001 C CG . ASN B 167 ? 0.6215 0.5664 0.5621 0.0086 0.1355 0.0745 155 ASN H CG 4002 O OD1 . ASN B 167 ? 0.6424 0.5998 0.6020 0.0111 0.1331 0.0566 155 ASN H OD1 4003 N ND2 . ASN B 167 ? 0.6262 0.5841 0.5349 0.0154 0.1415 0.0812 155 ASN H ND2 4004 N N . SER B 168 ? 0.6070 0.4587 0.6209 -0.0234 0.1189 0.0761 156 SER H N 4005 C CA . SER B 168 ? 0.6551 0.4698 0.6805 -0.0317 0.1199 0.0819 156 SER H CA 4006 C C . SER B 168 ? 0.6735 0.4617 0.6831 -0.0178 0.1158 0.0969 156 SER H C 4007 O O . SER B 168 ? 0.6553 0.4113 0.6696 -0.0214 0.1213 0.1116 156 SER H O 4008 C CB . SER B 168 ? 0.6846 0.4941 0.7250 -0.0525 0.1339 0.0947 156 SER H CB 4009 O OG . SER B 168 ? 0.6644 0.5070 0.7244 -0.0657 0.1369 0.0817 156 SER H OG 4010 N N . GLY B 169 ? 0.5920 0.3937 0.5845 -0.0021 0.1056 0.0937 157 GLY H N 4011 C CA . GLY B 169 ? 0.5854 0.3723 0.5666 0.0118 0.0987 0.1070 157 GLY H CA 4012 C C . GLY B 169 ? 0.6868 0.4832 0.6447 0.0170 0.1009 0.1304 157 GLY H C 4013 O O . GLY B 169 ? 0.7363 0.5282 0.6841 0.0293 0.0930 0.1439 157 GLY H O 4014 N N . ALA B 170 ? 0.6296 0.4439 0.5788 0.0080 0.1116 0.1359 158 ALA H N 4015 C CA . ALA B 170 ? 0.7637 0.5913 0.6851 0.0118 0.1155 0.1580 158 ALA H CA 4016 C C . ALA B 170 ? 0.7287 0.5817 0.6233 0.0235 0.1034 0.1471 158 ALA H C 4017 O O . ALA B 170 ? 0.7311 0.5943 0.5982 0.0298 0.0999 0.1633 158 ALA H O 4018 C CB . ALA B 170 ? 0.7454 0.5885 0.6661 -0.0021 0.1334 0.1668 158 ALA H CB 4019 N N . LEU B 171 ? 0.6653 0.5273 0.5669 0.0252 0.0964 0.1201 159 LEU H N 4020 C CA . LEU B 171 ? 0.6641 0.5423 0.5427 0.0337 0.0842 0.1062 159 LEU H CA 4021 C C . LEU B 171 ? 0.6505 0.5185 0.5401 0.0391 0.0676 0.0967 159 LEU H C 4022 O O . LEU B 171 ? 0.6681 0.5283 0.5794 0.0368 0.0660 0.0815 159 LEU H O 4023 C CB . LEU B 171 ? 0.6726 0.5679 0.5482 0.0330 0.0899 0.0840 159 LEU H CB 4024 C CG . LEU B 171 ? 0.5701 0.4731 0.4221 0.0407 0.0780 0.0650 159 LEU H CG 4025 C CD1 . LEU B 171 ? 0.6228 0.5379 0.4365 0.0441 0.0752 0.0751 159 LEU H CD1 4026 C CD2 . LEU B 171 ? 0.5882 0.5016 0.4434 0.0435 0.0851 0.0433 159 LEU H CD2 4027 N N . THR B 172 ? 0.6837 0.5564 0.5585 0.0456 0.0553 0.1071 160 THR H N 4028 C CA . THR B 172 ? 0.6362 0.5066 0.5244 0.0499 0.0405 0.1016 160 THR H CA 4029 C C . THR B 172 ? 0.6517 0.5400 0.5176 0.0509 0.0243 0.0925 160 THR H C 4030 O O . THR B 172 ? 0.6400 0.5291 0.5159 0.0492 0.0138 0.0785 160 THR H O 4031 C CB . THR B 172 ? 0.7252 0.5863 0.6280 0.0573 0.0389 0.1241 160 THR H CB 4032 O OG1 . THR B 172 ? 0.6916 0.5638 0.5714 0.0622 0.0359 0.1470 160 THR H OG1 4033 C CG2 . THR B 172 ? 0.7602 0.5952 0.6854 0.0545 0.0539 0.1290 160 THR H CG2 4034 N N . SER B 173 ? 0.6212 0.5238 0.4553 0.0519 0.0224 0.1007 161 SER H N 4035 C CA . SER B 173 ? 0.6979 0.6169 0.5060 0.0504 0.0058 0.0900 161 SER H CA 4036 C C . SER B 173 ? 0.5723 0.4838 0.3762 0.0454 0.0038 0.0597 161 SER H C 4037 O O . SER B 173 ? 0.6757 0.5813 0.4736 0.0459 0.0173 0.0482 161 SER H O 4038 C CB . SER B 173 ? 0.7116 0.6475 0.4796 0.0518 0.0067 0.1012 161 SER H CB 4039 O OG . SER B 173 ? 1.0457 0.9865 0.8162 0.0576 0.0074 0.1334 161 SER H OG 4040 N N . GLY B 174 ? 0.7152 0.6275 0.5244 0.0408 -0.0127 0.0485 162 GLY H N 4041 C CA . GLY B 174 ? 0.6993 0.5987 0.5024 0.0357 -0.0168 0.0219 162 GLY H CA 4042 C C . GLY B 174 ? 0.7422 0.6240 0.5744 0.0363 -0.0079 0.0141 162 GLY H C 4043 O O . GLY B 174 ? 0.6306 0.4982 0.4594 0.0352 -0.0083 -0.0050 162 GLY H O 4044 N N . VAL B 175 ? 0.7495 0.6311 0.6089 0.0388 -0.0004 0.0287 163 VAL H N 4045 C CA . VAL B 175 ? 0.5773 0.4464 0.4622 0.0384 0.0063 0.0220 163 VAL H CA 4046 C C . VAL B 175 ? 0.5435 0.4109 0.4455 0.0336 -0.0051 0.0192 163 VAL H C 4047 O O . VAL B 175 ? 0.5599 0.4389 0.4717 0.0334 -0.0119 0.0310 163 VAL H O 4048 C CB . VAL B 175 ? 0.5609 0.4279 0.4651 0.0409 0.0197 0.0353 163 VAL H CB 4049 C CG1 . VAL B 175 ? 0.5740 0.4319 0.5022 0.0389 0.0234 0.0273 163 VAL H CG1 4050 C CG2 . VAL B 175 ? 0.5248 0.3955 0.4163 0.0422 0.0333 0.0393 163 VAL H CG2 4051 N N . HIS B 176 ? 0.5681 0.4233 0.4744 0.0307 -0.0067 0.0055 164 HIS H N 4052 C CA . HIS B 176 ? 0.5369 0.3905 0.4603 0.0246 -0.0143 0.0051 164 HIS H CA 4053 C C . HIS B 176 ? 0.5492 0.3942 0.4883 0.0263 -0.0064 0.0017 164 HIS H C 4054 O O . HIS B 176 ? 0.5963 0.4301 0.5301 0.0285 -0.0042 -0.0081 164 HIS H O 4055 C CB . HIS B 176 ? 0.5020 0.3470 0.4128 0.0160 -0.0277 -0.0057 164 HIS H CB 4056 C CG . HIS B 176 ? 0.5988 0.4581 0.4970 0.0101 -0.0402 -0.0029 164 HIS H CG 4057 N ND1 . HIS B 176 ? 0.6424 0.5260 0.5567 0.0083 -0.0459 0.0120 164 HIS H ND1 4058 C CD2 . HIS B 176 ? 0.5926 0.4480 0.4634 0.0059 -0.0490 -0.0140 164 HIS H CD2 4059 C CE1 . HIS B 176 ? 0.6275 0.5252 0.5266 0.0025 -0.0594 0.0121 164 HIS H CE1 4060 N NE2 . HIS B 176 ? 0.6409 0.5207 0.5110 -0.0002 -0.0618 -0.0047 164 HIS H NE2 4061 N N . THR B 177 ? 0.6027 0.4545 0.5604 0.0264 -0.0024 0.0094 165 THR H N 4062 C CA . THR B 177 ? 0.5441 0.3917 0.5135 0.0260 0.0026 0.0058 165 THR H CA 4063 C C . THR B 177 ? 0.5279 0.3799 0.5055 0.0198 -0.0038 0.0082 165 THR H C 4064 O O . THR B 177 ? 0.4866 0.3522 0.4750 0.0193 -0.0038 0.0156 165 THR H O 4065 C CB . THR B 177 ? 0.5959 0.4459 0.5769 0.0294 0.0136 0.0091 165 THR H CB 4066 O OG1 . THR B 177 ? 0.5131 0.3601 0.4883 0.0319 0.0204 0.0093 165 THR H OG1 4067 C CG2 . THR B 177 ? 0.5287 0.3778 0.5177 0.0272 0.0166 0.0031 165 THR H CG2 4068 N N . PHE B 178 ? 0.4945 0.3361 0.4682 0.0159 -0.0085 0.0036 166 PHE H N 4069 C CA . PHE B 178 ? 0.5692 0.4133 0.5485 0.0070 -0.0145 0.0084 166 PHE H CA 4070 C C . PHE B 178 ? 0.6085 0.4641 0.5982 0.0073 -0.0074 0.0126 166 PHE H C 4071 O O . PHE B 178 ? 0.5062 0.3607 0.4957 0.0128 -0.0009 0.0084 166 PHE H O 4072 C CB . PHE B 178 ? 0.5843 0.4061 0.5535 0.0029 -0.0222 0.0041 166 PHE H CB 4073 C CG . PHE B 178 ? 0.5783 0.3863 0.5335 0.0010 -0.0298 -0.0037 166 PHE H CG 4074 C CD1 . PHE B 178 ? 0.6322 0.4307 0.5749 0.0111 -0.0260 -0.0134 166 PHE H CD1 4075 C CD2 . PHE B 178 ? 0.5685 0.3762 0.5226 -0.0121 -0.0403 -0.0024 166 PHE H CD2 4076 C CE1 . PHE B 178 ? 0.6506 0.4369 0.5752 0.0100 -0.0318 -0.0234 166 PHE H CE1 4077 C CE2 . PHE B 178 ? 0.5719 0.3666 0.5089 -0.0156 -0.0486 -0.0129 166 PHE H CE2 4078 C CZ . PHE B 178 ? 0.5967 0.3793 0.5166 -0.0036 -0.0439 -0.0243 166 PHE H CZ 4079 N N . PRO B 179 ? 0.5959 0.4661 0.5948 0.0003 -0.0084 0.0203 167 PRO H N 4080 C CA . PRO B 179 ? 0.5701 0.4523 0.5737 0.0002 -0.0008 0.0231 167 PRO H CA 4081 C C . PRO B 179 ? 0.5140 0.3830 0.5070 -0.0018 -0.0035 0.0227 167 PRO H C 4082 O O . PRO B 179 ? 0.5607 0.4120 0.5476 -0.0063 -0.0121 0.0249 167 PRO H O 4083 C CB . PRO B 179 ? 0.5751 0.4785 0.5909 -0.0085 -0.0016 0.0331 167 PRO H CB 4084 C CG . PRO B 179 ? 0.6109 0.5082 0.6269 -0.0171 -0.0138 0.0350 167 PRO H CG 4085 C CD . PRO B 179 ? 0.5833 0.4653 0.5893 -0.0084 -0.0160 0.0264 167 PRO H CD 4086 N N . ALA B 180 ? 0.4884 0.3646 0.4784 0.0021 0.0030 0.0195 168 ALA H N 4087 C CA . ALA B 180 ? 0.5236 0.3938 0.5039 0.0022 -0.0010 0.0211 168 ALA H CA 4088 C C . ALA B 180 ? 0.5175 0.3877 0.4936 -0.0066 -0.0051 0.0347 168 ALA H C 4089 O O . ALA B 180 ? 0.6050 0.4894 0.5867 -0.0140 -0.0012 0.0416 168 ALA H O 4090 C CB . ALA B 180 ? 0.5209 0.4042 0.4975 0.0056 0.0054 0.0135 168 ALA H CB 4091 N N . VAL B 181 ? 0.5014 0.3568 0.4693 -0.0052 -0.0125 0.0404 169 VAL H N 4092 C CA . VAL B 181 ? 0.6240 0.4762 0.5854 -0.0135 -0.0160 0.0569 169 VAL H CA 4093 C C . VAL B 181 ? 0.6764 0.5425 0.6260 -0.0091 -0.0159 0.0613 169 VAL H C 4094 O O . VAL B 181 ? 0.6157 0.4852 0.5641 0.0004 -0.0179 0.0519 169 VAL H O 4095 C CB . VAL B 181 ? 0.6491 0.4665 0.6091 -0.0153 -0.0263 0.0635 169 VAL H CB 4096 C CG1 . VAL B 181 ? 0.5601 0.3657 0.5276 -0.0221 -0.0285 0.0566 169 VAL H CG1 4097 C CG2 . VAL B 181 ? 0.6456 0.4474 0.6022 0.0000 -0.0315 0.0578 169 VAL H CG2 4098 N N . LEU B 182 ? 0.6578 0.5361 0.5985 -0.0174 -0.0135 0.0762 170 LEU H N 4099 C CA . LEU B 182 ? 0.6138 0.5076 0.5380 -0.0145 -0.0153 0.0831 170 LEU H CA 4100 C C . LEU B 182 ? 0.5825 0.4531 0.5007 -0.0120 -0.0270 0.1020 170 LEU H C 4101 O O . LEU B 182 ? 0.6375 0.4893 0.5560 -0.0212 -0.0288 0.1189 170 LEU H O 4102 C CB . LEU B 182 ? 0.6292 0.5519 0.5424 -0.0234 -0.0047 0.0900 170 LEU H CB 4103 C CG . LEU B 182 ? 0.6457 0.5902 0.5351 -0.0222 -0.0059 0.0966 170 LEU H CG 4104 C CD1 . LEU B 182 ? 0.6569 0.6132 0.5419 -0.0135 -0.0082 0.0749 170 LEU H CD1 4105 C CD2 . LEU B 182 ? 0.6132 0.5866 0.4905 -0.0312 0.0076 0.1034 170 LEU H CD2 4106 N N . GLN B 183 ? 0.5581 0.4299 0.4732 0.0005 -0.0351 0.0998 171 GLN H N 4107 C CA . GLN B 183 ? 0.6082 0.4577 0.5205 0.0086 -0.0467 0.1179 171 GLN H CA 4108 C C . GLN B 183 ? 0.7658 0.6310 0.6581 0.0051 -0.0503 0.1413 171 GLN H C 4109 O O . GLN B 183 ? 0.7318 0.6293 0.6103 -0.0030 -0.0433 0.1397 171 GLN H O 4110 C CB . GLN B 183 ? 0.6085 0.4594 0.5309 0.0260 -0.0538 0.1067 171 GLN H CB 4111 C CG . GLN B 183 ? 0.7179 0.5537 0.6566 0.0302 -0.0494 0.0861 171 GLN H CG 4112 C CD . GLN B 183 ? 0.7976 0.6484 0.7481 0.0449 -0.0527 0.0741 171 GLN H CD 4113 O OE1 . GLN B 183 ? 0.8341 0.6654 0.7947 0.0581 -0.0555 0.0719 171 GLN H OE1 4114 N NE2 . GLN B 183 ? 0.6644 0.5509 0.6142 0.0420 -0.0516 0.0653 171 GLN H NE2 4115 N N . SER B 184 ? 0.7789 0.6199 0.6682 0.0127 -0.0606 0.1633 172 SER H N 4116 C CA . SER B 184 ? 0.7671 0.6196 0.6356 0.0107 -0.0658 0.1916 172 SER H CA 4117 C C . SER B 184 ? 0.7289 0.6272 0.5841 0.0179 -0.0711 0.1864 172 SER H C 4118 O O . SER B 184 ? 0.7295 0.6539 0.5605 0.0116 -0.0714 0.2019 172 SER H O 4119 C CB . SER B 184 ? 0.8801 0.6906 0.7509 0.0214 -0.0771 0.2166 172 SER H CB 4120 O OG . SER B 184 ? 1.1182 0.8818 0.9994 0.0120 -0.0736 0.2186 172 SER H OG 4121 N N . SER B 185 ? 0.7630 0.6729 0.6334 0.0295 -0.0754 0.1645 173 SER H N 4122 C CA . SER B 185 ? 0.7357 0.6894 0.5980 0.0340 -0.0830 0.1566 173 SER H CA 4123 C C . SER B 185 ? 0.6817 0.6663 0.5284 0.0193 -0.0723 0.1363 173 SER H C 4124 O O . SER B 185 ? 0.6598 0.6806 0.4921 0.0179 -0.0781 0.1284 173 SER H O 4125 C CB . SER B 185 ? 0.6722 0.6307 0.5603 0.0480 -0.0892 0.1393 173 SER H CB 4126 O OG . SER B 185 ? 0.6186 0.5635 0.5227 0.0429 -0.0772 0.1144 173 SER H OG 4127 N N . GLY B 186 ? 0.5998 0.5700 0.4497 0.0089 -0.0572 0.1270 174 GLY H N 4128 C CA . GLY B 186 ? 0.5721 0.5656 0.4114 -0.0010 -0.0445 0.1058 174 GLY H CA 4129 C C . GLY B 186 ? 0.6301 0.6207 0.4895 0.0010 -0.0403 0.0761 174 GLY H C 4130 O O . GLY B 186 ? 0.6326 0.6350 0.4868 -0.0049 -0.0296 0.0557 174 GLY H O 4131 N N . LEU B 187 ? 0.6602 0.6338 0.5420 0.0103 -0.0475 0.0743 175 LEU H N 4132 C CA . LEU B 187 ? 0.6443 0.6150 0.5456 0.0116 -0.0431 0.0504 175 LEU H CA 4133 C C . LEU B 187 ? 0.6028 0.5433 0.5202 0.0122 -0.0347 0.0483 175 LEU H C 4134 O O . LEU B 187 ? 0.6378 0.5560 0.5570 0.0139 -0.0369 0.0641 175 LEU H O 4135 C CB . LEU B 187 ? 0.6401 0.6221 0.5562 0.0210 -0.0551 0.0482 175 LEU H CB 4136 C CG . LEU B 187 ? 0.6117 0.6297 0.5149 0.0209 -0.0682 0.0522 175 LEU H CG 4137 C CD1 . LEU B 187 ? 0.5644 0.5975 0.4903 0.0326 -0.0803 0.0538 175 LEU H CD1 4138 C CD2 . LEU B 187 ? 0.5117 0.5524 0.4001 0.0073 -0.0636 0.0300 175 LEU H CD2 4139 N N . TYR B 188 ? 0.5655 0.5040 0.4935 0.0098 -0.0259 0.0292 176 TYR H N 4140 C CA . TYR B 188 ? 0.4771 0.3930 0.4177 0.0100 -0.0189 0.0270 176 TYR H CA 4141 C C . TYR B 188 ? 0.5423 0.4435 0.4981 0.0184 -0.0230 0.0235 176 TYR H C 4142 O O . TYR B 188 ? 0.5534 0.4666 0.5158 0.0239 -0.0279 0.0187 176 TYR H O 4143 C CB . TYR B 188 ? 0.5101 0.4304 0.4535 0.0054 -0.0068 0.0118 176 TYR H CB 4144 C CG . TYR B 188 ? 0.5463 0.4801 0.4767 -0.0002 0.0013 0.0141 176 TYR H CG 4145 C CD1 . TYR B 188 ? 0.5592 0.5129 0.4726 -0.0031 0.0031 0.0057 176 TYR H CD1 4146 C CD2 . TYR B 188 ? 0.5037 0.4341 0.4385 -0.0033 0.0073 0.0237 176 TYR H CD2 4147 C CE1 . TYR B 188 ? 0.5802 0.5490 0.4792 -0.0067 0.0131 0.0063 176 TYR H CE1 4148 C CE2 . TYR B 188 ? 0.5633 0.5126 0.4890 -0.0075 0.0171 0.0266 176 TYR H CE2 4149 C CZ . TYR B 188 ? 0.5939 0.5618 0.5006 -0.0080 0.0211 0.0176 176 TYR H CZ 4150 O OH . TYR B 188 ? 0.6278 0.6169 0.5232 -0.0106 0.0333 0.0190 176 TYR H OH 4151 N N . SER B 189 ? 0.5698 0.4489 0.5312 0.0190 -0.0207 0.0252 177 SER H N 4152 C CA . SER B 189 ? 0.5678 0.4324 0.5391 0.0273 -0.0221 0.0197 177 SER H CA 4153 C C . SER B 189 ? 0.5385 0.3889 0.5122 0.0235 -0.0166 0.0148 177 SER H C 4154 O O . SER B 189 ? 0.5732 0.4177 0.5435 0.0158 -0.0162 0.0210 177 SER H O 4155 C CB . SER B 189 ? 0.5609 0.4075 0.5309 0.0363 -0.0309 0.0303 177 SER H CB 4156 O OG . SER B 189 ? 0.6809 0.5125 0.6579 0.0460 -0.0301 0.0222 177 SER H OG 4157 N N . LEU B 190 ? 0.5917 0.4410 0.5718 0.0282 -0.0126 0.0050 178 LEU H N 4158 C CA . LEU B 190 ? 0.5655 0.4026 0.5445 0.0262 -0.0099 0.0020 178 LEU H CA 4159 C C . LEU B 190 ? 0.6064 0.4381 0.5865 0.0346 -0.0078 -0.0058 178 LEU H C 4160 O O . LEU B 190 ? 0.5929 0.4348 0.5795 0.0417 -0.0063 -0.0091 178 LEU H O 4161 C CB . LEU B 190 ? 0.4836 0.3318 0.4661 0.0205 -0.0027 0.0003 178 LEU H CB 4162 C CG . LEU B 190 ? 0.6096 0.4676 0.5984 0.0214 0.0056 -0.0067 178 LEU H CG 4163 C CD1 . LEU B 190 ? 0.5964 0.4498 0.5868 0.0253 0.0091 -0.0100 178 LEU H CD1 4164 C CD2 . LEU B 190 ? 0.7061 0.5689 0.6975 0.0181 0.0116 -0.0058 178 LEU H CD2 4165 N N . SER B 191 ? 0.4804 0.3006 0.4541 0.0332 -0.0077 -0.0085 179 SER H N 4166 C CA . SER B 191 ? 0.5797 0.3970 0.5492 0.0407 -0.0037 -0.0163 179 SER H CA 4167 C C . SER B 191 ? 0.5295 0.3529 0.4952 0.0363 0.0008 -0.0161 179 SER H C 4168 O O . SER B 191 ? 0.5538 0.3779 0.5193 0.0291 -0.0022 -0.0109 179 SER H O 4169 C CB . SER B 191 ? 0.7300 0.5229 0.6882 0.0459 -0.0096 -0.0215 179 SER H CB 4170 O OG . SER B 191 ? 0.8384 0.6166 0.7885 0.0351 -0.0171 -0.0193 179 SER H OG 4171 N N . SER B 192 ? 0.5666 0.3976 0.5308 0.0413 0.0085 -0.0197 180 SER H N 4172 C CA . SER B 192 ? 0.6139 0.4486 0.5703 0.0390 0.0123 -0.0169 180 SER H CA 4173 C C . SER B 192 ? 0.5989 0.4305 0.5391 0.0456 0.0148 -0.0244 180 SER H C 4174 O O . SER B 192 ? 0.5711 0.4079 0.5146 0.0535 0.0211 -0.0301 180 SER H O 4175 C CB . SER B 192 ? 0.5527 0.3994 0.5208 0.0366 0.0219 -0.0111 180 SER H CB 4176 O OG . SER B 192 ? 0.5697 0.4174 0.5303 0.0357 0.0250 -0.0038 180 SER H OG 4177 N N . VAL B 193 ? 0.6246 0.4509 0.5471 0.0430 0.0097 -0.0252 181 VAL H N 4178 C CA . VAL B 193 ? 0.6116 0.4347 0.5120 0.0489 0.0121 -0.0351 181 VAL H CA 4179 C C . VAL B 193 ? 0.5814 0.4173 0.4664 0.0465 0.0147 -0.0278 181 VAL H C 4180 O O . VAL B 193 ? 0.5796 0.4223 0.4715 0.0408 0.0111 -0.0150 181 VAL H O 4181 C CB . VAL B 193 ? 0.6173 0.4169 0.5019 0.0476 0.0006 -0.0478 181 VAL H CB 4182 C CG1 . VAL B 193 ? 0.6036 0.3863 0.5014 0.0520 -0.0018 -0.0517 181 VAL H CG1 4183 C CG2 . VAL B 193 ? 0.5952 0.3938 0.4762 0.0345 -0.0126 -0.0422 181 VAL H CG2 4184 N N . VAL B 194 ? 0.6449 0.4855 0.5087 0.0526 0.0217 -0.0351 182 VAL H N 4185 C CA . VAL B 194 ? 0.6125 0.4664 0.4548 0.0508 0.0236 -0.0270 182 VAL H CA 4186 C C . VAL B 194 ? 0.6696 0.5207 0.4780 0.0562 0.0247 -0.0440 182 VAL H C 4187 O O . VAL B 194 ? 0.6580 0.5043 0.4648 0.0657 0.0336 -0.0583 182 VAL H O 4188 C CB . VAL B 194 ? 0.5640 0.4349 0.4174 0.0516 0.0390 -0.0109 182 VAL H CB 4189 C CG1 . VAL B 194 ? 0.5715 0.4512 0.4343 0.0582 0.0539 -0.0188 182 VAL H CG1 4190 C CG2 . VAL B 194 ? 0.6062 0.4900 0.4344 0.0506 0.0412 0.0017 182 VAL H CG2 4191 N N . THR B 195 ? 0.6897 0.5448 0.4707 0.0510 0.0148 -0.0435 183 THR H N 4192 C CA . THR B 195 ? 0.7721 0.6262 0.5137 0.0549 0.0158 -0.0613 183 THR H CA 4193 C C . THR B 195 ? 0.7847 0.6653 0.5054 0.0583 0.0287 -0.0482 183 THR H C 4194 O O . THR B 195 ? 0.7473 0.6425 0.4709 0.0532 0.0256 -0.0251 183 THR H O 4195 C CB . THR B 195 ? 0.7929 0.6365 0.5121 0.0444 -0.0056 -0.0722 183 THR H CB 4196 O OG1 . THR B 195 ? 0.8150 0.6758 0.5459 0.0352 -0.0176 -0.0504 183 THR H OG1 4197 C CG2 . THR B 195 ? 0.7766 0.5883 0.5090 0.0407 -0.0151 -0.0890 183 THR H CG2 4198 N N . VAL B 196 ? 0.7325 0.6195 0.4332 0.0682 0.0445 -0.0615 184 VAL H N 4199 C CA . VAL B 196 ? 0.7209 0.6358 0.4010 0.0710 0.0607 -0.0481 184 VAL H CA 4200 C C . VAL B 196 ? 0.8417 0.7612 0.4743 0.0785 0.0665 -0.0712 184 VAL H C 4201 O O . VAL B 196 ? 0.8753 0.7722 0.4993 0.0846 0.0630 -0.0998 184 VAL H O 4202 C CB . VAL B 196 ? 0.7307 0.6609 0.4435 0.0754 0.0823 -0.0361 184 VAL H CB 4203 C CG1 . VAL B 196 ? 0.7061 0.6293 0.4613 0.0671 0.0769 -0.0168 184 VAL H CG1 4204 C CG2 . VAL B 196 ? 0.7858 0.7118 0.5088 0.0882 0.0929 -0.0599 184 VAL H CG2 4205 N N . PRO B 197 ? 0.8457 0.7919 0.4446 0.0782 0.0758 -0.0591 185 PRO H N 4206 C CA . PRO B 197 ? 0.9583 0.9132 0.5082 0.0868 0.0856 -0.0826 185 PRO H CA 4207 C C . PRO B 197 ? 0.9584 0.9135 0.5224 0.1028 0.1079 -0.1025 185 PRO H C 4208 O O . PRO B 197 ? 0.9923 0.9651 0.5932 0.1056 0.1246 -0.0862 185 PRO H O 4209 C CB . PRO B 197 ? 0.9575 0.9476 0.4787 0.0834 0.0962 -0.0560 185 PRO H CB 4210 C CG . PRO B 197 ? 0.8101 0.7992 0.3531 0.0717 0.0798 -0.0239 185 PRO H CG 4211 C CD . PRO B 197 ? 0.8170 0.7837 0.4169 0.0704 0.0761 -0.0233 185 PRO H CD 4212 N N . SER B 198 ? 0.9741 0.9096 0.5106 0.1132 0.1076 -0.1380 186 SER H N 4213 C CA . SER B 198 ? 1.0459 0.9799 0.5969 0.1330 0.1279 -0.1588 186 SER H CA 4214 C C . SER B 198 ? 1.0213 1.0018 0.5639 0.1427 0.1584 -0.1498 186 SER H C 4215 O O . SER B 198 ? 1.0581 1.0548 0.6340 0.1565 0.1778 -0.1516 186 SER H O 4216 C CB . SER B 198 ? 1.1898 1.0868 0.7069 0.1433 0.1216 -0.2002 186 SER H CB 4217 O OG . SER B 198 ? 1.3172 1.2090 0.8531 0.1667 0.1405 -0.2194 186 SER H OG 4218 N N . SER B 199 ? 0.9174 0.9230 0.4168 0.1351 0.1623 -0.1378 187 SER H N 4219 C CA . SER B 199 ? 0.9401 0.9927 0.4262 0.1413 0.1923 -0.1258 187 SER H CA 4220 C C . SER B 199 ? 0.8910 0.9714 0.4261 0.1311 0.2040 -0.0865 187 SER H C 4221 O O . SER B 199 ? 0.9048 1.0265 0.4394 0.1329 0.2302 -0.0722 187 SER H O 4222 C CB . SER B 199 ? 1.0558 1.1263 0.4751 0.1351 0.1915 -0.1226 187 SER H CB 4223 O OG . SER B 199 ? 1.0969 1.1620 0.5142 0.1162 0.1686 -0.0933 187 SER H OG 4224 N N . SER B 200 ? 0.9022 0.9601 0.4791 0.1192 0.1853 -0.0700 188 SER H N 4225 C CA . SER B 200 ? 0.9070 0.9830 0.5292 0.1074 0.1938 -0.0363 188 SER H CA 4226 C C . SER B 200 ? 0.9020 0.9818 0.5803 0.1140 0.2016 -0.0436 188 SER H C 4227 O O . SER B 200 ? 0.8923 0.9892 0.6112 0.1035 0.2096 -0.0209 188 SER H O 4228 C CB . SER B 200 ? 0.9402 0.9919 0.5732 0.0911 0.1705 -0.0128 188 SER H CB 4229 O OG . SER B 200 ? 0.8868 0.9051 0.5489 0.0916 0.1505 -0.0267 188 SER H OG 4230 N N . LEU B 201 ? 0.8587 0.9218 0.5384 0.1312 0.1984 -0.0752 189 LEU H N 4231 C CA . LEU B 201 ? 0.8974 0.9606 0.6291 0.1400 0.1999 -0.0820 189 LEU H CA 4232 C C . LEU B 201 ? 0.8376 0.9521 0.6002 0.1468 0.2276 -0.0749 189 LEU H C 4233 O O . LEU B 201 ? 0.8292 0.9560 0.6425 0.1470 0.2279 -0.0696 189 LEU H O 4234 C CB . LEU B 201 ? 0.9160 0.9445 0.6377 0.1589 0.1900 -0.1156 189 LEU H CB 4235 C CG . LEU B 201 ? 0.8823 0.8608 0.5928 0.1490 0.1604 -0.1211 189 LEU H CG 4236 C CD1 . LEU B 201 ? 0.8549 0.7953 0.5571 0.1659 0.1527 -0.1528 189 LEU H CD1 4237 C CD2 . LEU B 201 ? 0.8099 0.7826 0.5644 0.1337 0.1470 -0.0981 189 LEU H CD2 4238 N N . GLY B 202 ? 0.8000 0.9488 0.5323 0.1515 0.2505 -0.0743 190 GLY H N 4239 C CA . GLY B 202 ? 0.9175 1.1228 0.6796 0.1567 0.2793 -0.0661 190 GLY H CA 4240 C C . GLY B 202 ? 0.9541 1.1905 0.7233 0.1320 0.2913 -0.0297 190 GLY H C 4241 O O . GLY B 202 ? 0.9531 1.2412 0.7473 0.1300 0.3163 -0.0177 190 GLY H O 4242 N N . THR B 203 ? 0.9741 1.1790 0.7235 0.1132 0.2736 -0.0108 191 THR H N 4243 C CA . THR B 203 ? 0.9371 1.1593 0.6885 0.0901 0.2830 0.0261 191 THR H CA 4244 C C . THR B 203 ? 0.8100 1.0036 0.6016 0.0703 0.2649 0.0456 191 THR H C 4245 O O . THR B 203 ? 0.7781 0.9926 0.6099 0.0540 0.2756 0.0655 191 THR H O 4246 C CB . THR B 203 ? 0.9868 1.2006 0.6747 0.0868 0.2811 0.0370 191 THR H CB 4247 O OG1 . THR B 203 ? 1.1033 1.3439 0.7479 0.1049 0.2989 0.0158 191 THR H OG1 4248 C CG2 . THR B 203 ? 0.9831 1.2124 0.6732 0.0646 0.2923 0.0794 191 THR H CG2 4249 N N . GLN B 204 ? 0.7239 0.8709 0.5049 0.0708 0.2380 0.0384 192 GLN H N 4250 C CA . GLN B 204 ? 0.7672 0.8848 0.5796 0.0545 0.2214 0.0545 192 GLN H CA 4251 C C . GLN B 204 ? 0.8009 0.9109 0.6591 0.0575 0.2115 0.0379 192 GLN H C 4252 O O . GLN B 204 ? 0.7920 0.8953 0.6475 0.0747 0.2044 0.0122 192 GLN H O 4253 C CB . GLN B 204 ? 0.9305 1.0087 0.7113 0.0535 0.1987 0.0585 192 GLN H CB 4254 C CG . GLN B 204 ? 1.1073 1.1551 0.9172 0.0396 0.1842 0.0756 192 GLN H CG 4255 C CD . GLN B 204 ? 1.1484 1.2038 0.9745 0.0218 0.1985 0.1075 192 GLN H CD 4256 O OE1 . GLN B 204 ? 1.2649 1.3434 1.0678 0.0184 0.2154 0.1251 192 GLN H OE1 4257 N NE2 . GLN B 204 ? 0.8217 0.8560 0.6859 0.0093 0.1924 0.1149 192 GLN H NE2 4258 N N . THR B 205 ? 0.6733 0.7824 0.5718 0.0402 0.2105 0.0530 193 THR H N 4259 C CA . THR B 205 ? 0.6900 0.7949 0.6300 0.0401 0.1994 0.0403 193 THR H CA 4260 C C . THR B 205 ? 0.7329 0.7910 0.6692 0.0381 0.1750 0.0369 193 THR H C 4261 O O . THR B 205 ? 0.7797 0.8134 0.7051 0.0272 0.1695 0.0534 193 THR H O 4262 C CB . THR B 205 ? 0.6423 0.7731 0.6273 0.0200 0.2097 0.0548 193 THR H CB 4263 O OG1 . THR B 205 ? 0.6783 0.8620 0.6748 0.0232 0.2328 0.0561 193 THR H OG1 4264 C CG2 . THR B 205 ? 0.5930 0.7182 0.6158 0.0177 0.1943 0.0426 193 THR H CG2 4265 N N . TYR B 206 ? 0.7018 0.7487 0.6478 0.0497 0.1613 0.0169 194 TYR H N 4266 C CA . TYR B 206 ? 0.6883 0.6967 0.6323 0.0478 0.1400 0.0134 194 TYR H CA 4267 C C . TYR B 206 ? 0.6339 0.6424 0.6157 0.0419 0.1318 0.0091 194 TYR H C 4268 O O . TYR B 206 ? 0.5980 0.6226 0.5969 0.0522 0.1306 -0.0036 194 TYR H O 4269 C CB . TYR B 206 ? 0.6577 0.6461 0.5728 0.0637 0.1285 -0.0043 194 TYR H CB 4270 C CG . TYR B 206 ? 0.7272 0.7136 0.5999 0.0666 0.1322 -0.0015 194 TYR H CG 4271 C CD1 . TYR B 206 ? 0.7206 0.6909 0.5765 0.0572 0.1243 0.0149 194 TYR H CD1 4272 C CD2 . TYR B 206 ? 0.7046 0.7075 0.5531 0.0800 0.1437 -0.0151 194 TYR H CD2 4273 C CE1 . TYR B 206 ? 0.7500 0.7235 0.5656 0.0595 0.1254 0.0195 194 TYR H CE1 4274 C CE2 . TYR B 206 ? 0.6596 0.6633 0.4640 0.0815 0.1462 -0.0137 194 TYR H CE2 4275 C CZ . TYR B 206 ? 0.7010 0.6915 0.4888 0.0704 0.1359 0.0046 194 TYR H CZ 4276 O OH . TYR B 206 ? 0.7203 0.7161 0.4628 0.0717 0.1359 0.0079 194 TYR H OH 4277 N N . ILE B 207 ? 0.6321 0.6223 0.6253 0.0265 0.1261 0.0197 195 ILE H N 4278 C CA . ILE B 207 ? 0.6066 0.5964 0.6304 0.0179 0.1180 0.0150 195 ILE H CA 4279 C C . ILE B 207 ? 0.5576 0.5114 0.5742 0.0159 0.1028 0.0137 195 ILE H C 4280 O O . ILE B 207 ? 0.6175 0.5493 0.6230 0.0101 0.1031 0.0250 195 ILE H O 4281 C CB . ILE B 207 ? 0.5995 0.6054 0.6497 -0.0026 0.1287 0.0260 195 ILE H CB 4282 C CG1 . ILE B 207 ? 0.5786 0.6274 0.6385 -0.0025 0.1467 0.0307 195 ILE H CG1 4283 C CG2 . ILE B 207 ? 0.4744 0.4836 0.5532 -0.0126 0.1185 0.0172 195 ILE H CG2 4284 C CD1 . ILE B 207 ? 0.6924 0.7560 0.7758 -0.0267 0.1592 0.0457 195 ILE H CD1 4285 N N . CYS B 208 ? 0.4687 0.4184 0.4921 0.0219 0.0903 0.0017 196 CYS H N 4286 C CA . CYS B 208 ? 0.5615 0.4841 0.5813 0.0190 0.0782 0.0003 196 CYS H CA 4287 C C . CYS B 208 ? 0.4910 0.4153 0.5333 0.0047 0.0773 -0.0012 196 CYS H C 4288 O O . CYS B 208 ? 0.5129 0.4624 0.5752 0.0004 0.0777 -0.0064 196 CYS H O 4289 C CB . CYS B 208 ? 0.5286 0.4440 0.5406 0.0308 0.0656 -0.0097 196 CYS H CB 4290 S SG . CYS B 208 ? 0.6081 0.5446 0.6426 0.0340 0.0592 -0.0186 196 CYS H SG 4291 N N . ASN B 209 ? 0.5049 0.4035 0.5441 -0.0023 0.0759 0.0026 197 ASN H N 4292 C CA . ASN B 209 ? 0.4655 0.3581 0.5209 -0.0165 0.0752 -0.0026 197 ASN H CA 4293 C C . ASN B 209 ? 0.4850 0.3645 0.5348 -0.0125 0.0643 -0.0120 197 ASN H C 4294 O O . ASN B 209 ? 0.5894 0.4472 0.6277 -0.0064 0.0629 -0.0086 197 ASN H O 4295 C CB . ASN B 209 ? 0.4543 0.3231 0.5114 -0.0273 0.0849 0.0078 197 ASN H CB 4296 C CG . ASN B 209 ? 0.5822 0.4595 0.6343 -0.0276 0.0964 0.0235 197 ASN H CG 4297 O OD1 . ASN B 209 ? 0.5364 0.4009 0.5700 -0.0180 0.0977 0.0348 197 ASN H OD1 4298 N ND2 . ASN B 209 ? 0.4783 0.3821 0.5470 -0.0388 0.1046 0.0250 197 ASN H ND2 4299 N N . VAL B 210 ? 0.4695 0.3671 0.5281 -0.0153 0.0567 -0.0223 198 VAL H N 4300 C CA . VAL B 210 ? 0.4793 0.3699 0.5299 -0.0121 0.0472 -0.0300 198 VAL H CA 4301 C C . VAL B 210 ? 0.5133 0.3941 0.5687 -0.0260 0.0479 -0.0400 198 VAL H C 4302 O O . VAL B 210 ? 0.4387 0.3339 0.5081 -0.0398 0.0479 -0.0459 198 VAL H O 4303 C CB . VAL B 210 ? 0.5117 0.4265 0.5642 -0.0052 0.0370 -0.0333 198 VAL H CB 4304 C CG1 . VAL B 210 ? 0.4397 0.3477 0.4804 -0.0027 0.0284 -0.0372 198 VAL H CG1 4305 C CG2 . VAL B 210 ? 0.4868 0.4055 0.5343 0.0089 0.0375 -0.0270 198 VAL H CG2 4306 N N . ASN B 211 ? 0.5140 0.3714 0.5584 -0.0226 0.0488 -0.0429 199 ASN H N 4307 C CA . ASN B 211 ? 0.4979 0.3406 0.5418 -0.0331 0.0504 -0.0566 199 ASN H CA 4308 C C . ASN B 211 ? 0.5445 0.3942 0.5749 -0.0283 0.0435 -0.0657 199 ASN H C 4309 O O . ASN B 211 ? 0.4651 0.3132 0.4866 -0.0158 0.0428 -0.0588 199 ASN H O 4310 C CB . ASN B 211 ? 0.5434 0.3498 0.5867 -0.0315 0.0612 -0.0532 199 ASN H CB 4311 C CG . ASN B 211 ? 0.5269 0.3232 0.5820 -0.0409 0.0690 -0.0435 199 ASN H CG 4312 O OD1 . ASN B 211 ? 0.6267 0.4476 0.6912 -0.0479 0.0680 -0.0392 199 ASN H OD1 4313 N ND2 . ASN B 211 ? 0.5164 0.2773 0.5719 -0.0399 0.0780 -0.0382 199 ASN H ND2 4314 N N . HIS B 212 ? 0.4891 0.3494 0.5176 -0.0400 0.0383 -0.0806 200 HIS H N 4315 C CA . HIS B 212 ? 0.5299 0.3991 0.5412 -0.0373 0.0328 -0.0894 200 HIS H CA 4316 C C . HIS B 212 ? 0.5675 0.4239 0.5714 -0.0505 0.0351 -0.1113 200 HIS H C 4317 O O . HIS B 212 ? 0.5437 0.4183 0.5490 -0.0653 0.0266 -0.1226 200 HIS H O 4318 C CB . HIS B 212 ? 0.4961 0.4004 0.5059 -0.0360 0.0195 -0.0842 200 HIS H CB 4319 C CG . HIS B 212 ? 0.6006 0.5159 0.5899 -0.0322 0.0141 -0.0869 200 HIS H CG 4320 N ND1 . HIS B 212 ? 0.6019 0.5423 0.5817 -0.0405 0.0033 -0.0955 200 HIS H ND1 4321 C CD2 . HIS B 212 ? 0.4938 0.4024 0.4699 -0.0220 0.0181 -0.0805 200 HIS H CD2 4322 C CE1 . HIS B 212 ? 0.5748 0.5214 0.5333 -0.0350 0.0019 -0.0935 200 HIS H CE1 4323 N NE2 . HIS B 212 ? 0.5395 0.4674 0.4970 -0.0244 0.0116 -0.0843 200 HIS H NE2 4324 N N . LYS B 213 ? 0.5394 0.3649 0.5362 -0.0444 0.0463 -0.1179 201 LYS H N 4325 C CA . LYS B 213 ? 0.5752 0.3769 0.5632 -0.0545 0.0515 -0.1417 201 LYS H CA 4326 C C . LYS B 213 ? 0.5903 0.4144 0.5565 -0.0626 0.0432 -0.1607 201 LYS H C 4327 O O . LYS B 213 ? 0.5972 0.4157 0.5595 -0.0806 0.0395 -0.1815 201 LYS H O 4328 C CB . LYS B 213 ? 0.5756 0.3421 0.5604 -0.0392 0.0664 -0.1433 201 LYS H CB 4329 C CG . LYS B 213 ? 0.6690 0.3981 0.6461 -0.0464 0.0748 -0.1690 201 LYS H CG 4330 C CD . LYS B 213 ? 0.6941 0.3889 0.6735 -0.0258 0.0904 -0.1669 201 LYS H CD 4331 C CE . LYS B 213 ? 0.8268 0.4807 0.7947 -0.0287 0.1004 -0.1964 201 LYS H CE 4332 N NZ . LYS B 213 ? 0.9308 0.5544 0.9057 -0.0530 0.0974 -0.2079 201 LYS H NZ 4333 N N . PRO B 214 ? 0.6285 0.4783 0.5793 -0.0514 0.0396 -0.1534 202 PRO H N 4334 C CA . PRO B 214 ? 0.6850 0.5579 0.6108 -0.0593 0.0318 -0.1696 202 PRO H CA 4335 C C . PRO B 214 ? 0.6192 0.5207 0.5489 -0.0775 0.0147 -0.1748 202 PRO H C 4336 O O . PRO B 214 ? 0.6526 0.5635 0.5634 -0.0908 0.0084 -0.1964 202 PRO H O 4337 C CB . PRO B 214 ? 0.6048 0.5027 0.5187 -0.0450 0.0302 -0.1513 202 PRO H CB 4338 C CG . PRO B 214 ? 0.6073 0.4852 0.5355 -0.0297 0.0423 -0.1365 202 PRO H CG 4339 C CD . PRO B 214 ? 0.5629 0.4203 0.5156 -0.0335 0.0429 -0.1317 202 PRO H CD 4340 N N . SER B 215 ? 0.5707 0.4887 0.5246 -0.0776 0.0074 -0.1562 203 SER H N 4341 C CA . SER B 215 ? 0.6268 0.5801 0.5915 -0.0924 -0.0086 -0.1583 203 SER H CA 4342 C C . SER B 215 ? 0.6770 0.6180 0.6673 -0.1099 -0.0060 -0.1657 203 SER H C 4343 O O . SER B 215 ? 0.6379 0.6124 0.6460 -0.1232 -0.0178 -0.1653 203 SER H O 4344 C CB . SER B 215 ? 0.5327 0.5189 0.5091 -0.0794 -0.0183 -0.1331 203 SER H CB 4345 O OG . SER B 215 ? 0.5101 0.4812 0.5084 -0.0699 -0.0096 -0.1173 203 SER H OG 4346 N N . ASN B 216 ? 0.7096 0.6047 0.7034 -0.1096 0.0096 -0.1702 204 ASN H N 4347 C CA . ASN B 216 ? 0.6024 0.4777 0.6196 -0.1266 0.0149 -0.1731 204 ASN H CA 4348 C C . ASN B 216 ? 0.5918 0.4980 0.6375 -0.1262 0.0117 -0.1513 204 ASN H C 4349 O O . ASN B 216 ? 0.6531 0.5775 0.7205 -0.1463 0.0075 -0.1541 204 ASN H O 4350 C CB . ASN B 216 ? 0.7138 0.5892 0.7277 -0.1545 0.0071 -0.2003 204 ASN H CB 4351 C CG . ASN B 216 ? 0.7960 0.6337 0.8295 -0.1743 0.0163 -0.2059 204 ASN H CG 4352 O OD1 . ASN B 216 ? 0.8760 0.6712 0.9139 -0.1639 0.0317 -0.1956 204 ASN H OD1 4353 N ND2 . ASN B 216 ? 0.7543 0.6090 0.8007 -0.2041 0.0062 -0.2204 204 ASN H ND2 4354 N N . THR B 217 ? 0.4934 0.4067 0.5392 -0.1038 0.0145 -0.1306 205 THR H N 4355 C CA . THR B 217 ? 0.5231 0.4663 0.5912 -0.0986 0.0126 -0.1122 205 THR H CA 4356 C C . THR B 217 ? 0.4959 0.4133 0.5709 -0.0886 0.0268 -0.0964 205 THR H C 4357 O O . THR B 217 ? 0.5731 0.4655 0.6335 -0.0728 0.0327 -0.0902 205 THR H O 4358 C CB . THR B 217 ? 0.5426 0.5181 0.6043 -0.0808 0.0017 -0.1016 205 THR H CB 4359 O OG1 . THR B 217 ? 0.6555 0.6619 0.7106 -0.0897 -0.0134 -0.1123 205 THR H OG1 4360 C CG2 . THR B 217 ? 0.5259 0.5277 0.6100 -0.0717 0.0019 -0.0854 205 THR H CG2 4361 N N . LYS B 218 ? 0.5047 0.4331 0.6022 -0.0989 0.0320 -0.0890 206 LYS H N 4362 C CA . LYS B 218 ? 0.5434 0.4572 0.6451 -0.0895 0.0445 -0.0717 206 LYS H CA 4363 C C . LYS B 218 ? 0.5427 0.4993 0.6635 -0.0859 0.0442 -0.0607 206 LYS H C 4364 O O . LYS B 218 ? 0.5592 0.5447 0.7031 -0.1028 0.0437 -0.0626 206 LYS H O 4365 C CB . LYS B 218 ? 0.4660 0.3430 0.5732 -0.1048 0.0566 -0.0706 206 LYS H CB 4366 C CG . LYS B 218 ? 0.5194 0.3474 0.6081 -0.0996 0.0609 -0.0781 206 LYS H CG 4367 C CD . LYS B 218 ? 0.5454 0.3309 0.6410 -0.1128 0.0729 -0.0747 206 LYS H CD 4368 C CE . LYS B 218 ? 0.6418 0.3787 0.7213 -0.1010 0.0785 -0.0806 206 LYS H CE 4369 N NZ . LYS B 218 ? 0.7574 0.4449 0.8437 -0.1127 0.0896 -0.0780 206 LYS H NZ 4370 N N . VAL B 219 ? 0.4692 0.4307 0.5811 -0.0640 0.0449 -0.0505 207 VAL H N 4371 C CA . VAL B 219 ? 0.4712 0.4705 0.5981 -0.0548 0.0458 -0.0427 207 VAL H CA 4372 C C . VAL B 219 ? 0.5237 0.5114 0.6438 -0.0445 0.0590 -0.0303 207 VAL H C 4373 O O . VAL B 219 ? 0.5345 0.4918 0.6329 -0.0332 0.0603 -0.0265 207 VAL H O 4374 C CB . VAL B 219 ? 0.5171 0.5345 0.6382 -0.0364 0.0333 -0.0439 207 VAL H CB 4375 C CG1 . VAL B 219 ? 0.5948 0.6409 0.7282 -0.0202 0.0369 -0.0365 207 VAL H CG1 4376 C CG2 . VAL B 219 ? 0.5010 0.5427 0.6296 -0.0465 0.0192 -0.0533 207 VAL H CG2 4377 N N . ASP B 220 ? 0.5055 0.5220 0.6442 -0.0494 0.0687 -0.0238 208 ASP H N 4378 C CA . ASP B 220 ? 0.4916 0.5076 0.6213 -0.0380 0.0815 -0.0129 208 ASP H CA 4379 C C . ASP B 220 ? 0.5528 0.6048 0.6899 -0.0189 0.0812 -0.0144 208 ASP H C 4380 O O . ASP B 220 ? 0.6112 0.7043 0.7750 -0.0214 0.0784 -0.0174 208 ASP H O 4381 C CB . ASP B 220 ? 0.6083 0.6298 0.7505 -0.0565 0.0968 -0.0022 208 ASP H CB 4382 C CG . ASP B 220 ? 0.6210 0.5986 0.7559 -0.0729 0.0984 0.0007 208 ASP H CG 4383 O OD1 . ASP B 220 ? 0.6632 0.6038 0.7753 -0.0624 0.0944 0.0007 208 ASP H OD1 4384 O OD2 . ASP B 220 ? 0.7674 0.7474 0.9215 -0.0963 0.1040 0.0029 208 ASP H OD2 4385 N N . LYS B 221 ? 0.5423 0.5791 0.6566 0.0006 0.0834 -0.0132 209 LYS H N 4386 C CA . LYS B 221 ? 0.5147 0.5758 0.6325 0.0218 0.0847 -0.0169 209 LYS H CA 4387 C C . LYS B 221 ? 0.5346 0.5911 0.6322 0.0326 0.0986 -0.0138 209 LYS H C 4388 O O . LYS B 221 ? 0.4773 0.4994 0.5457 0.0357 0.0968 -0.0127 209 LYS H O 4389 C CB . LYS B 221 ? 0.5417 0.5840 0.6481 0.0373 0.0691 -0.0235 209 LYS H CB 4390 C CG . LYS B 221 ? 0.6697 0.7338 0.7855 0.0602 0.0683 -0.0276 209 LYS H CG 4391 C CD . LYS B 221 ? 0.7907 0.9046 0.9435 0.0580 0.0658 -0.0266 209 LYS H CD 4392 C CE . LYS B 221 ? 0.9099 1.0460 1.0755 0.0856 0.0650 -0.0290 209 LYS H CE 4393 N NZ . LYS B 221 ? 0.9513 1.1440 1.1570 0.0848 0.0604 -0.0259 209 LYS H NZ 4394 N N . LYS B 222 ? 0.5043 0.6001 0.6173 0.0382 0.1124 -0.0126 210 LYS H N 4395 C CA . LYS B 222 ? 0.5912 0.6881 0.6815 0.0500 0.1271 -0.0119 210 LYS H CA 4396 C C . LYS B 222 ? 0.6250 0.7077 0.6975 0.0763 0.1218 -0.0253 210 LYS H C 4397 O O . LYS B 222 ? 0.6233 0.7244 0.7161 0.0911 0.1177 -0.0320 210 LYS H O 4398 C CB . LYS B 222 ? 0.6299 0.7778 0.7428 0.0464 0.1471 -0.0057 210 LYS H CB 4399 C CG . LYS B 222 ? 0.5847 0.7388 0.6700 0.0587 0.1648 -0.0055 210 LYS H CG 4400 C CD . LYS B 222 ? 0.6434 0.8532 0.7527 0.0529 0.1873 0.0033 210 LYS H CD 4401 C CE . LYS B 222 ? 0.7324 0.9505 0.8082 0.0658 0.2066 0.0029 210 LYS H CE 4402 N NZ . LYS B 222 ? 0.7321 1.0094 0.8306 0.0594 0.2316 0.0136 210 LYS H NZ 4403 N N . VAL B 223 ? 0.6042 0.6530 0.6393 0.0817 0.1209 -0.0287 211 VAL H N 4404 C CA . VAL B 223 ? 0.6339 0.6609 0.6480 0.1032 0.1158 -0.0434 211 VAL H CA 4405 C C . VAL B 223 ? 0.6842 0.7257 0.6775 0.1165 0.1335 -0.0508 211 VAL H C 4406 O O . VAL B 223 ? 0.7411 0.7735 0.7041 0.1096 0.1389 -0.0472 211 VAL H O 4407 C CB . VAL B 223 ? 0.6268 0.6064 0.6129 0.0983 0.0997 -0.0454 211 VAL H CB 4408 C CG1 . VAL B 223 ? 0.6777 0.6301 0.6451 0.1168 0.0930 -0.0613 211 VAL H CG1 4409 C CG2 . VAL B 223 ? 0.5915 0.5604 0.5953 0.0850 0.0855 -0.0379 211 VAL H CG2 4410 N N . GLU B 224 ? 0.6705 0.7374 0.6798 0.1372 0.1429 -0.0606 212 GLU H N 4411 C CA . GLU B 224 ? 0.7840 0.8699 0.7749 0.1532 0.1629 -0.0706 212 GLU H CA 4412 C C . GLU B 224 ? 0.7364 0.7984 0.7153 0.1818 0.1606 -0.0924 212 GLU H C 4413 O O . GLU B 224 ? 0.6911 0.7366 0.6894 0.1910 0.1467 -0.0949 212 GLU H O 4414 C CB . GLU B 224 ? 0.8643 1.0133 0.8901 0.1523 0.1834 -0.0613 212 GLU H CB 4415 C CG . GLU B 224 ? 0.8145 0.9954 0.8909 0.1592 0.1782 -0.0590 212 GLU H CG 4416 C CD . GLU B 224 ? 0.9256 1.1739 1.0412 0.1500 0.1960 -0.0469 212 GLU H CD 4417 O OE1 . GLU B 224 ? 0.9440 1.2122 1.0459 0.1401 0.2151 -0.0399 212 GLU H OE1 4418 O OE2 . GLU B 224 ? 1.0468 1.3308 1.2073 0.1513 0.1905 -0.0430 212 GLU H OE2 4419 N N . PRO B 225 ? 0.8093 0.8662 0.7532 0.1959 0.1742 -0.1082 213 PRO H N 4420 C CA . PRO B 225 ? 0.8630 0.8905 0.7920 0.2241 0.1743 -0.1327 213 PRO H CA 4421 C C . PRO B 225 ? 0.9241 0.9822 0.8966 0.2501 0.1823 -0.1354 213 PRO H C 4422 O O . PRO B 225 ? 0.9168 1.0352 0.9202 0.2521 0.1993 -0.1259 213 PRO H O 4423 C CB . PRO B 225 ? 0.8899 0.9222 0.7745 0.2314 0.1926 -0.1482 213 PRO H CB 4424 C CG . PRO B 225 ? 0.8234 0.8639 0.6875 0.2026 0.1910 -0.1303 213 PRO H CG 4425 C CD . PRO B 225 ? 0.7554 0.8269 0.6657 0.1848 0.1884 -0.1044 213 PRO H CD 4426 N N . LYS B 226 ? 1.0571 1.0756 1.0338 0.2694 0.1698 -0.1462 214 LYS H N 4427 C CA . LYS B 226 ? 1.2237 1.2673 1.2406 0.2995 0.1755 -0.1482 214 LYS H CA 4428 C C . LYS B 226 ? 1.2823 1.3552 1.2942 0.3273 0.2028 -0.1661 214 LYS H C 4429 O O . LYS B 226 ? 1.2428 1.2797 1.2122 0.3285 0.2076 -0.1861 214 LYS H O 4430 C CB . LYS B 226 ? 1.2769 1.2616 1.2931 0.3151 0.1562 -0.1542 214 LYS H CB 4431 C CG . LYS B 226 ? 1.2415 1.2135 1.2757 0.2939 0.1316 -0.1332 214 LYS H CG 4432 C CD . LYS B 226 ? 1.2288 1.1464 1.2635 0.3115 0.1153 -0.1358 214 LYS H CD 4433 C CE . LYS B 226 ? 1.1505 1.0619 1.2013 0.2915 0.0927 -0.1137 214 LYS H CE 4434 N NZ . LYS B 226 ? 1.1090 0.9682 1.1595 0.3075 0.0776 -0.1116 214 LYS H NZ 4435 N N . SER B 227 ? 1.3602 1.4993 1.4197 0.3374 0.2160 -0.1564 215 SER H N 4436 C CA . SER B 227 ? 1.4959 1.6673 1.5608 0.3530 0.2388 -0.1685 215 SER H CA 4437 C C . SER B 227 ? 1.6138 1.7586 1.6973 0.3812 0.2341 -0.1804 215 SER H C 4438 O O . SER B 227 ? 1.5870 1.7520 1.7165 0.3926 0.2242 -0.1672 215 SER H O 4439 C CB . SER B 227 ? 1.4687 1.7290 1.5781 0.3468 0.2567 -0.1508 215 SER H CB 4440 O OG . SER B 227 ? 1.4377 1.7321 1.6023 0.3500 0.2438 -0.1335 215 SER H OG 4441 N N . CYS B 228 ? 1.7334 1.8330 1.7805 0.3918 0.2410 -0.2050 216 CYS H N 4442 C CA . CYS B 228 ? 1.8257 1.8922 1.8871 0.4188 0.2393 -0.2182 216 CYS H CA 4443 C C . CYS B 228 ? 1.9351 1.9748 1.9585 0.4289 0.2570 -0.2478 216 CYS H C 4444 O O . CYS B 228 ? 1.9942 2.0303 2.0353 0.4550 0.2675 -0.2606 216 CYS H O 4445 C CB . CYS B 228 ? 1.8000 1.7970 1.8561 0.4167 0.2117 -0.2146 216 CYS H CB 4446 S SG . CYS B 228 ? 2.0914 2.0158 2.0831 0.3880 0.1962 -0.2260 216 CYS H SG 4447 O OXT . CYS B 228 ? 1.9514 1.9732 1.9249 0.4118 0.2612 -0.2599 216 CYS H OXT 4448 N N . GLU C 1 ? 1.1490 1.1874 0.9800 0.3270 0.1381 0.1812 1 GLU L N 4449 C CA . GLU C 1 ? 1.1776 1.2582 1.0228 0.3248 0.1255 0.1772 1 GLU L CA 4450 C C . GLU C 1 ? 1.1323 1.1398 0.9776 0.3087 0.1282 0.1674 1 GLU L C 4451 O O . GLU C 1 ? 1.2225 1.1676 1.0314 0.3201 0.1495 0.1700 1 GLU L O 4452 C CB . GLU C 1 ? 1.3407 1.4659 1.1552 0.3583 0.1381 0.1893 1 GLU L CB 4453 C CG . GLU C 1 ? 1.4178 1.6236 1.2291 0.3754 0.1378 0.1982 1 GLU L CG 4454 C CD . GLU C 1 ? 1.4819 1.7300 1.2583 0.4126 0.1551 0.2113 1 GLU L CD 4455 O OE1 . GLU C 1 ? 1.5721 1.7780 1.3226 0.4268 0.1684 0.2150 1 GLU L OE1 4456 O OE2 . GLU C 1 ? 1.4137 1.7334 1.1952 0.4237 0.1505 0.2158 1 GLU L OE2 4457 N N . ILE C 2 ? 0.9913 1.0080 0.8745 0.2810 0.1079 0.1554 2 ILE L N 4458 C CA . ILE C 2 ? 0.9074 0.8652 0.7937 0.2567 0.1080 0.1413 2 ILE L CA 4459 C C . ILE C 2 ? 0.9229 0.9195 0.8175 0.2585 0.0977 0.1386 2 ILE L C 4460 O O . ILE C 2 ? 0.8711 0.9387 0.7932 0.2440 0.0783 0.1328 2 ILE L O 4461 C CB . ILE C 2 ? 0.8104 0.7538 0.7297 0.2106 0.0930 0.1219 2 ILE L CB 4462 C CG1 . ILE C 2 ? 0.7511 0.6580 0.6634 0.2069 0.1037 0.1238 2 ILE L CG1 4463 C CG2 . ILE C 2 ? 0.6951 0.5911 0.6176 0.1872 0.0920 0.1078 2 ILE L CG2 4464 C CD1 . ILE C 2 ? 0.7156 0.6153 0.6590 0.1672 0.0905 0.1070 2 ILE L CD1 4465 N N . VAL C 3 ? 0.9544 0.9005 0.8215 0.2742 0.1129 0.1418 3 VAL L N 4466 C CA . VAL C 3 ? 0.8112 0.7865 0.6833 0.2768 0.1052 0.1393 3 VAL L CA 4467 C C . VAL C 3 ? 0.7803 0.7214 0.6724 0.2360 0.0937 0.1188 3 VAL L C 4468 O O . VAL C 3 ? 0.7526 0.6199 0.6269 0.2258 0.1062 0.1122 3 VAL L O 4469 C CB . VAL C 3 ? 0.9386 0.8855 0.7655 0.3064 0.1280 0.1491 3 VAL L CB 4470 C CG1 . VAL C 3 ? 0.9806 0.9667 0.8141 0.3119 0.1197 0.1481 3 VAL L CG1 4471 C CG2 . VAL C 3 ? 0.9248 0.9061 0.7260 0.3356 0.1410 0.1645 3 VAL L CG2 4472 N N . LEU C 4 ? 0.6124 0.6085 0.5380 0.2117 0.0712 0.1085 4 LEU L N 4473 C CA . LEU C 4 ? 0.6150 0.5888 0.5584 0.1785 0.0595 0.0916 4 LEU L CA 4474 C C . LEU C 4 ? 0.6723 0.6680 0.6130 0.1849 0.0557 0.0911 4 LEU L C 4475 O O . LEU C 4 ? 0.6177 0.6798 0.5708 0.1873 0.0455 0.0936 4 LEU L O 4476 C CB . LEU C 4 ? 0.5398 0.5445 0.5162 0.1465 0.0405 0.0804 4 LEU L CB 4477 C CG . LEU C 4 ? 0.6744 0.6562 0.6574 0.1353 0.0425 0.0783 4 LEU L CG 4478 C CD1 . LEU C 4 ? 0.5009 0.5139 0.5106 0.1088 0.0261 0.0689 4 LEU L CD1 4479 C CD2 . LEU C 4 ? 0.6469 0.5627 0.6207 0.1244 0.0521 0.0713 4 LEU L CD2 4480 N N . THR C 5 ? 0.5771 0.5182 0.4998 0.1847 0.0649 0.0867 5 THR L N 4481 C CA . THR C 5 ? 0.5310 0.4855 0.4479 0.1919 0.0632 0.0862 5 THR L CA 4482 C C . THR C 5 ? 0.5983 0.5384 0.5336 0.1577 0.0493 0.0693 5 THR L C 4483 O O . THR C 5 ? 0.6177 0.5029 0.5433 0.1436 0.0551 0.0601 5 THR L O 4484 C CB . THR C 5 ? 0.6637 0.5663 0.5374 0.2236 0.0877 0.0957 5 THR L CB 4485 O OG1 . THR C 5 ? 0.7348 0.6547 0.5875 0.2629 0.1022 0.1149 5 THR L OG1 4486 C CG2 . THR C 5 ? 0.6941 0.6120 0.5621 0.2316 0.0860 0.0951 5 THR L CG2 4487 N N . GLN C 6 ? 0.5132 0.5049 0.4721 0.1436 0.0322 0.0649 6 GLN L N 4488 C CA . GLN C 6 ? 0.4287 0.4122 0.4036 0.1151 0.0189 0.0513 6 GLN L CA 4489 C C . GLN C 6 ? 0.4884 0.4746 0.4539 0.1198 0.0187 0.0497 6 GLN L C 4490 O O . GLN C 6 ? 0.5172 0.5407 0.4762 0.1386 0.0218 0.0581 6 GLN L O 4491 C CB . GLN C 6 ? 0.5120 0.5360 0.5106 0.0950 0.0043 0.0472 6 GLN L CB 4492 C CG . GLN C 6 ? 0.5505 0.5597 0.5614 0.0703 -0.0067 0.0359 6 GLN L CG 4493 C CD . GLN C 6 ? 0.5385 0.5696 0.5630 0.0534 -0.0150 0.0330 6 GLN L CD 4494 O OE1 . GLN C 6 ? 0.4366 0.4871 0.4639 0.0553 -0.0129 0.0370 6 GLN L OE1 4495 N NE2 . GLN C 6 ? 0.3983 0.4231 0.4266 0.0378 -0.0223 0.0264 6 GLN L NE2 4496 N N . SER C 7 ? 0.4482 0.4009 0.4130 0.1033 0.0153 0.0391 7 SER L N 4497 C CA . SER C 7 ? 0.5564 0.5065 0.5112 0.1056 0.0151 0.0362 7 SER L CA 4498 C C . SER C 7 ? 0.6452 0.5841 0.6111 0.0802 0.0030 0.0236 7 SER L C 4499 O O . SER C 7 ? 0.6243 0.5437 0.5975 0.0649 0.0002 0.0167 7 SER L O 4500 C CB . SER C 7 ? 0.6465 0.5508 0.5681 0.1256 0.0345 0.0395 7 SER L CB 4501 O OG . SER C 7 ? 0.6197 0.4703 0.5305 0.1108 0.0420 0.0305 7 SER L OG 4502 N N . PRO C 8 ? 0.6345 0.5908 0.6010 0.0771 -0.0037 0.0214 8 PRO L N 4503 C CA . PRO C 8 ? 0.5308 0.5208 0.4914 0.0923 -0.0011 0.0287 8 PRO L CA 4504 C C . PRO C 8 ? 0.5036 0.5445 0.4808 0.0845 -0.0091 0.0317 8 PRO L C 4505 O O . PRO C 8 ? 0.5232 0.5639 0.5133 0.0689 -0.0155 0.0284 8 PRO L O 4506 C CB . PRO C 8 ? 0.5963 0.5769 0.5503 0.0853 -0.0050 0.0221 8 PRO L CB 4507 C CG . PRO C 8 ? 0.5415 0.5103 0.5084 0.0626 -0.0165 0.0131 8 PRO L CG 4508 C CD . PRO C 8 ? 0.6153 0.5621 0.5867 0.0589 -0.0135 0.0115 8 PRO L CD 4509 N N . GLY C 9 ? 0.4803 0.5653 0.4545 0.0938 -0.0071 0.0370 9 GLY L N 4510 C CA . GLY C 9 ? 0.4521 0.5890 0.4373 0.0794 -0.0125 0.0366 9 GLY L CA 4511 C C . GLY C 9 ? 0.4952 0.6229 0.4837 0.0520 -0.0206 0.0274 9 GLY L C 4512 O O . GLY C 9 ? 0.3863 0.5249 0.3794 0.0324 -0.0234 0.0236 9 GLY L O 4513 N N . THR C 10 ? 0.4249 0.5282 0.4063 0.0518 -0.0221 0.0239 10 THR L N 4514 C CA . THR C 10 ? 0.4726 0.5646 0.4510 0.0315 -0.0274 0.0175 10 THR L CA 4515 C C . THR C 10 ? 0.5925 0.6421 0.5664 0.0333 -0.0314 0.0136 10 THR L C 4516 O O . THR C 10 ? 0.5647 0.6034 0.5319 0.0460 -0.0287 0.0137 10 THR L O 4517 C CB . THR C 10 ? 0.5216 0.6511 0.4926 0.0250 -0.0247 0.0171 10 THR L CB 4518 O OG1 . THR C 10 ? 0.5238 0.7067 0.4990 0.0198 -0.0213 0.0190 10 THR L OG1 4519 C CG2 . THR C 10 ? 0.5088 0.6176 0.4698 0.0038 -0.0266 0.0112 10 THR L CG2 4520 N N . LEU C 11 ? 0.5058 0.5335 0.4803 0.0213 -0.0364 0.0102 11 LEU L N 4521 C CA . LEU C 11 ? 0.4890 0.4916 0.4587 0.0219 -0.0414 0.0066 11 LEU L CA 4522 C C . LEU C 11 ? 0.5605 0.5594 0.5173 0.0130 -0.0421 0.0063 11 LEU L C 4523 O O . LEU C 11 ? 0.4836 0.4774 0.4349 0.0032 -0.0394 0.0074 11 LEU L O 4524 C CB . LEU C 11 ? 0.4703 0.4556 0.4488 0.0213 -0.0457 0.0048 11 LEU L CB 4525 C CG . LEU C 11 ? 0.5387 0.5154 0.5235 0.0271 -0.0431 0.0027 11 LEU L CG 4526 C CD1 . LEU C 11 ? 0.4747 0.4443 0.4702 0.0223 -0.0467 0.0006 11 LEU L CD1 4527 C CD2 . LEU C 11 ? 0.5441 0.5079 0.5176 0.0303 -0.0414 -0.0025 11 LEU L CD2 4528 N N . SER C 12 ? 0.5722 0.5681 0.5195 0.0163 -0.0434 0.0047 12 SER L N 4529 C CA . SER C 12 ? 0.5705 0.5578 0.5010 0.0100 -0.0424 0.0053 12 SER L CA 4530 C C . SER C 12 ? 0.6137 0.5842 0.5389 0.0170 -0.0489 0.0044 12 SER L C 4531 O O . SER C 12 ? 0.5675 0.5400 0.4903 0.0219 -0.0522 0.0011 12 SER L O 4532 C CB . SER C 12 ? 0.4807 0.4860 0.4026 0.0080 -0.0379 0.0048 12 SER L CB 4533 O OG . SER C 12 ? 0.5640 0.5999 0.4913 0.0019 -0.0323 0.0057 12 SER L OG 4534 N N . LEU C 13 ? 0.5085 0.4654 0.4298 0.0186 -0.0500 0.0075 13 LEU L N 4535 C CA . LEU C 13 ? 0.5058 0.4617 0.4255 0.0284 -0.0572 0.0077 13 LEU L CA 4536 C C . LEU C 13 ? 0.5969 0.5349 0.4928 0.0357 -0.0531 0.0151 13 LEU L C 4537 O O . LEU C 13 ? 0.6023 0.5183 0.4815 0.0302 -0.0426 0.0191 13 LEU L O 4538 C CB . LEU C 13 ? 0.5951 0.5600 0.5339 0.0306 -0.0620 0.0060 13 LEU L CB 4539 C CG . LEU C 13 ? 0.6209 0.5926 0.5763 0.0249 -0.0621 -0.0002 13 LEU L CG 4540 C CD1 . LEU C 13 ? 0.5557 0.5318 0.5270 0.0241 -0.0638 -0.0011 13 LEU L CD1 4541 C CD2 . LEU C 13 ? 0.6048 0.5799 0.5566 0.0238 -0.0647 -0.0077 13 LEU L CD2 4542 N N . SER C 14 ? 0.5418 0.4885 0.4316 0.0479 -0.0595 0.0168 14 SER L N 4543 C CA . SER C 14 ? 0.5919 0.5214 0.4544 0.0628 -0.0542 0.0267 14 SER L CA 4544 C C . SER C 14 ? 0.6162 0.5544 0.4834 0.0781 -0.0563 0.0327 14 SER L C 4545 O O . SER C 14 ? 0.5591 0.5270 0.4532 0.0753 -0.0655 0.0269 14 SER L O 4546 C CB . SER C 14 ? 0.5638 0.5053 0.4136 0.0717 -0.0596 0.0271 14 SER L CB 4547 O OG . SER C 14 ? 0.6843 0.6201 0.5303 0.0589 -0.0573 0.0216 14 SER L OG 4548 N N . PRO C 15 ? 0.6719 0.5818 0.5092 0.0947 -0.0452 0.0446 15 PRO L N 4549 C CA . PRO C 15 ? 0.7141 0.6365 0.5512 0.1169 -0.0458 0.0532 15 PRO L CA 4550 C C . PRO C 15 ? 0.6391 0.6210 0.4963 0.1278 -0.0620 0.0507 15 PRO L C 4551 O O . PRO C 15 ? 0.6511 0.6492 0.5023 0.1292 -0.0679 0.0485 15 PRO L O 4552 C CB . PRO C 15 ? 0.7793 0.6551 0.5681 0.1385 -0.0282 0.0680 15 PRO L CB 4553 C CG . PRO C 15 ? 0.8665 0.6947 0.6340 0.1152 -0.0149 0.0637 15 PRO L CG 4554 C CD . PRO C 15 ? 0.8410 0.7016 0.6381 0.0936 -0.0283 0.0509 15 PRO L CD 4555 N N . GLY C 16 ? 0.5945 0.6119 0.4747 0.1324 -0.0686 0.0497 16 GLY L N 4556 C CA . GLY C 16 ? 0.5859 0.6689 0.4849 0.1367 -0.0830 0.0447 16 GLY L CA 4557 C C . GLY C 16 ? 0.5473 0.6543 0.4768 0.1059 -0.0929 0.0261 16 GLY L C 4558 O O . GLY C 16 ? 0.5894 0.7497 0.5367 0.1000 -0.1024 0.0181 16 GLY L O 4559 N N . GLU C 17 ? 0.4585 0.5271 0.3902 0.0863 -0.0886 0.0192 17 GLU L N 4560 C CA . GLU C 17 ? 0.5330 0.6099 0.4847 0.0615 -0.0928 0.0038 17 GLU L CA 4561 C C . GLU C 17 ? 0.5507 0.6261 0.5227 0.0530 -0.0904 0.0012 17 GLU L C 4562 O O . GLU C 17 ? 0.4916 0.5625 0.4640 0.0655 -0.0868 0.0106 17 GLU L O 4563 C CB . GLU C 17 ? 0.4878 0.5299 0.4308 0.0508 -0.0877 0.0000 17 GLU L CB 4564 C CG . GLU C 17 ? 0.5205 0.5653 0.4444 0.0556 -0.0901 0.0002 17 GLU L CG 4565 C CD . GLU C 17 ? 0.6098 0.6295 0.5277 0.0446 -0.0854 -0.0051 17 GLU L CD 4566 O OE1 . GLU C 17 ? 0.5412 0.5366 0.4600 0.0413 -0.0778 -0.0018 17 GLU L OE1 4567 O OE2 . GLU C 17 ? 0.7207 0.7493 0.6317 0.0394 -0.0887 -0.0128 17 GLU L OE2 4568 N N . THR C 18 ? 0.5911 0.6656 0.5754 0.0328 -0.0904 -0.0113 18 THR L N 4569 C CA . THR C 18 ? 0.5035 0.5750 0.5046 0.0242 -0.0869 -0.0141 18 THR L CA 4570 C C . THR C 18 ? 0.4934 0.5260 0.4939 0.0173 -0.0787 -0.0146 18 THR L C 4571 O O . THR C 18 ? 0.5135 0.5303 0.5050 0.0112 -0.0757 -0.0198 18 THR L O 4572 C CB . THR C 18 ? 0.5538 0.6560 0.5655 0.0057 -0.0899 -0.0280 18 THR L CB 4573 O OG1 . THR C 18 ? 0.8702 0.9538 0.8708 -0.0109 -0.0863 -0.0399 18 THR L OG1 4574 C CG2 . THR C 18 ? 0.3535 0.5128 0.3681 0.0120 -0.0993 -0.0282 18 THR L CG2 4575 N N . ALA C 19 ? 0.4275 0.4482 0.4357 0.0205 -0.0743 -0.0085 19 ALA L N 4576 C CA . ALA C 19 ? 0.4713 0.4674 0.4802 0.0163 -0.0668 -0.0080 19 ALA L CA 4577 C C . ALA C 19 ? 0.4491 0.4428 0.4683 0.0068 -0.0628 -0.0143 19 ALA L C 4578 O O . ALA C 19 ? 0.4735 0.4823 0.5043 0.0042 -0.0646 -0.0153 19 ALA L O 4579 C CB . ALA C 19 ? 0.4827 0.4677 0.4895 0.0225 -0.0629 0.0012 19 ALA L CB 4580 N N . ILE C 20 ? 0.3923 0.3654 0.4037 0.0033 -0.0552 -0.0177 20 ILE L N 4581 C CA . ILE C 20 ? 0.4915 0.4494 0.5029 -0.0048 -0.0466 -0.0231 20 ILE L CA 4582 C C . ILE C 20 ? 0.4808 0.4199 0.4882 0.0055 -0.0375 -0.0153 20 ILE L C 4583 O O . ILE C 20 ? 0.4982 0.4249 0.4918 0.0135 -0.0316 -0.0131 20 ILE L O 4584 C CB . ILE C 20 ? 0.5616 0.5052 0.5567 -0.0180 -0.0409 -0.0355 20 ILE L CB 4585 C CG1 . ILE C 20 ? 0.5336 0.5107 0.5343 -0.0301 -0.0510 -0.0443 20 ILE L CG1 4586 C CG2 . ILE C 20 ? 0.5454 0.4592 0.5307 -0.0275 -0.0264 -0.0410 20 ILE L CG2 4587 C CD1 . ILE C 20 ? 0.5574 0.5250 0.5390 -0.0492 -0.0455 -0.0596 20 ILE L CD1 4588 N N . ILE C 21 ? 0.4329 0.3756 0.4519 0.0073 -0.0364 -0.0105 21 ILE L N 4589 C CA . ILE C 21 ? 0.4116 0.3488 0.4285 0.0182 -0.0294 -0.0021 21 ILE L CA 4590 C C . ILE C 21 ? 0.4844 0.4007 0.4973 0.0174 -0.0184 -0.0028 21 ILE L C 4591 O O . ILE C 21 ? 0.5134 0.4309 0.5359 0.0067 -0.0194 -0.0073 21 ILE L O 4592 C CB . ILE C 21 ? 0.4295 0.3862 0.4579 0.0200 -0.0353 0.0043 21 ILE L CB 4593 C CG1 . ILE C 21 ? 0.5578 0.5246 0.5827 0.0187 -0.0424 0.0046 21 ILE L CG1 4594 C CG2 . ILE C 21 ? 0.4352 0.3990 0.4613 0.0286 -0.0292 0.0116 21 ILE L CG2 4595 C CD1 . ILE C 21 ? 0.5510 0.5242 0.5770 0.0169 -0.0436 0.0090 21 ILE L CD1 4596 N N . SER C 22 ? 0.4319 0.3296 0.4280 0.0305 -0.0062 0.0024 22 SER L N 4597 C CA . SER C 22 ? 0.4534 0.3194 0.4361 0.0319 0.0088 0.0026 22 SER L CA 4598 C C . SER C 22 ? 0.4789 0.3510 0.4592 0.0518 0.0156 0.0154 22 SER L C 4599 O O . SER C 22 ? 0.5006 0.3994 0.4819 0.0665 0.0125 0.0235 22 SER L O 4600 C CB . SER C 22 ? 0.5282 0.3514 0.4798 0.0316 0.0242 -0.0031 22 SER L CB 4601 O OG . SER C 22 ? 0.8567 0.6744 0.7902 0.0562 0.0324 0.0068 22 SER L OG 4602 N N . CYS C 23 ? 0.5622 0.4142 0.5385 0.0509 0.0252 0.0168 23 CYS L N 4603 C CA . CYS C 23 ? 0.4678 0.3264 0.4397 0.0708 0.0326 0.0294 23 CYS L CA 4604 C C . CYS C 23 ? 0.5284 0.3350 0.4708 0.0782 0.0550 0.0317 23 CYS L C 4605 O O . CYS C 23 ? 0.6254 0.4062 0.5671 0.0583 0.0599 0.0229 23 CYS L O 4606 C CB . CYS C 23 ? 0.5537 0.4447 0.5522 0.0623 0.0207 0.0304 23 CYS L CB 4607 S SG . CYS C 23 ? 0.8319 0.7540 0.8299 0.0836 0.0239 0.0446 23 CYS L SG 4608 N N . ARG C 24 ? 0.5166 0.3076 0.4310 0.1074 0.0705 0.0439 24 ARG L N 4609 C CA . ARG C 24 ? 0.5554 0.2871 0.4318 0.1201 0.0968 0.0492 24 ARG L CA 4610 C C . ARG C 24 ? 0.6429 0.3921 0.5206 0.1409 0.1010 0.0635 24 ARG L C 4611 O O . ARG C 24 ? 0.7415 0.5406 0.6270 0.1648 0.0945 0.0759 24 ARG L O 4612 C CB . ARG C 24 ? 0.5902 0.2820 0.4240 0.1458 0.1171 0.0560 24 ARG L CB 4613 C CG . ARG C 24 ? 0.7809 0.4115 0.5664 0.1724 0.1486 0.0682 24 ARG L CG 4614 C CD . ARG C 24 ? 0.9966 0.5588 0.7289 0.1873 0.1750 0.0689 24 ARG L CD 4615 N NE . ARG C 24 ? 1.2011 0.7095 0.9200 0.1460 0.1817 0.0469 24 ARG L NE 4616 C CZ . ARG C 24 ? 1.3827 0.8359 1.0585 0.1424 0.2016 0.0404 24 ARG L CZ 4617 N NH1 . ARG C 24 ? 1.4245 0.8746 1.0689 0.1778 0.2152 0.0555 24 ARG L NH1 4618 N NH2 . ARG C 24 ? 1.4082 0.8219 1.0735 0.0997 0.2065 0.0181 24 ARG L NH2 4619 N N . THR C 25 ? 0.6782 0.3905 0.5470 0.1301 0.1125 0.0610 25 THR L N 4620 C CA . THR C 25 ? 0.6921 0.4182 0.5614 0.1475 0.1169 0.0737 25 THR L CA 4621 C C . THR C 25 ? 0.8056 0.4673 0.6231 0.1748 0.1491 0.0860 25 THR L C 4622 O O . THR C 25 ? 0.9390 0.5294 0.7199 0.1663 0.1706 0.0793 25 THR L O 4623 C CB . THR C 25 ? 0.7453 0.4817 0.6438 0.1178 0.1064 0.0639 25 THR L CB 4624 O OG1 . THR C 25 ? 0.7735 0.5229 0.6703 0.1356 0.1111 0.0764 25 THR L OG1 4625 C CG2 . THR C 25 ? 0.8100 0.4872 0.6913 0.0898 0.1212 0.0500 25 THR L CG2 4626 N N . SER C 26 ? 0.8782 0.5643 0.6883 0.2075 0.1541 0.1040 26 SER L N 4627 C CA . SER C 26 ? 1.0223 0.6687 0.7852 0.2284 0.1814 0.1142 26 SER L CA 4628 C C . SER C 26 ? 0.9919 0.6081 0.7531 0.2110 0.1897 0.1107 26 SER L C 4629 O O . SER C 26 ? 1.0317 0.6090 0.7528 0.2212 0.2139 0.1163 26 SER L O 4630 C CB . SER C 26 ? 1.0473 0.7538 0.8021 0.2689 0.1814 0.1335 26 SER L CB 4631 O OG . SER C 26 ? 0.9308 0.7045 0.7230 0.2712 0.1615 0.1384 26 SER L OG 4632 N N . GLN C 27 ? 0.8107 0.4444 0.6130 0.1854 0.1714 0.1017 27 GLN L N 4633 C CA . GLN C 27 ? 0.9931 0.6074 0.8000 0.1674 0.1768 0.0981 27 GLN L CA 4634 C C . GLN C 27 ? 0.9613 0.5945 0.8092 0.1210 0.1576 0.0772 27 GLN L C 4635 O O . GLN C 27 ? 0.8557 0.5487 0.7440 0.1109 0.1309 0.0715 27 GLN L O 4636 C CB . GLN C 27 ? 0.9310 0.5975 0.7519 0.1916 0.1689 0.1133 27 GLN L CB 4637 C CG . GLN C 27 ? 1.0050 0.6582 0.8339 0.1740 0.1725 0.1102 27 GLN L CG 4638 C CD . GLN C 27 ? 1.1331 0.8420 0.9754 0.1962 0.1635 0.1239 27 GLN L CD 4639 O OE1 . GLN C 27 ? 1.1914 0.9475 1.0726 0.1758 0.1429 0.1164 27 GLN L OE1 4640 N NE2 . GLN C 27 ? 1.0383 0.7557 0.8485 0.2305 0.1771 0.1390 27 GLN L NE2 4641 N N . TYR C 28 ? 1.0330 0.6171 0.8672 0.0932 0.1728 0.0658 28 TYR L N 4642 C CA . TYR C 28 ? 1.0886 0.7001 0.9603 0.0520 0.1564 0.0471 28 TYR L CA 4643 C C . TYR C 28 ? 1.0359 0.7016 0.9466 0.0509 0.1383 0.0505 28 TYR L C 4644 O O . TYR C 28 ? 1.0075 0.6706 0.9082 0.0720 0.1459 0.0637 28 TYR L O 4645 C CB . TYR C 28 ? 1.1717 0.7237 1.0156 0.0193 0.1798 0.0327 28 TYR L CB 4646 C CG . TYR C 28 ? 1.1892 0.6913 0.9980 0.0069 0.1952 0.0223 28 TYR L CG 4647 C CD1 . TYR C 28 ? 1.1261 0.6592 0.9589 -0.0235 0.1788 0.0044 28 TYR L CD1 4648 C CD2 . TYR C 28 ? 1.1760 0.6220 0.9302 0.0268 0.2219 0.0294 28 TYR L CD2 4649 C CE1 . TYR C 28 ? 1.1061 0.5948 0.9052 -0.0372 0.1930 -0.0067 28 TYR L CE1 4650 C CE2 . TYR C 28 ? 1.2637 0.6741 0.9855 0.0148 0.2346 0.0187 28 TYR L CE2 4651 C CZ . TYR C 28 ? 1.1776 0.6033 0.9207 -0.0184 0.2210 0.0003 28 TYR L CZ 4652 O OH . TYR C 28 ? 1.1005 0.4930 0.8102 -0.0316 0.2336 -0.0109 28 TYR L OH 4653 N N . GLY C 29 ? 0.9823 0.6954 0.9335 0.0284 0.1158 0.0391 29 GLY L N 4654 C CA . GLY C 29 ? 0.7664 0.5266 0.7512 0.0275 0.0996 0.0414 29 GLY L CA 4655 C C . GLY C 29 ? 0.7188 0.5266 0.7383 0.0146 0.0760 0.0327 29 GLY L C 4656 O O . GLY C 29 ? 0.7549 0.5629 0.7743 0.0066 0.0710 0.0254 29 GLY L O 4657 N N . SER C 30 ? 0.5915 0.4355 0.6362 0.0142 0.0633 0.0342 30 SER L N 4658 C CA . SER C 30 ? 0.5426 0.4237 0.6130 0.0063 0.0448 0.0282 30 SER L CA 4659 C C . SER C 30 ? 0.5029 0.3979 0.5718 0.0180 0.0342 0.0316 30 SER L C 4660 O O . SER C 30 ? 0.4905 0.3974 0.5553 0.0317 0.0322 0.0396 30 SER L O 4661 C CB . SER C 30 ? 0.5518 0.4573 0.6403 0.0063 0.0388 0.0303 30 SER L CB 4662 O OG . SER C 30 ? 0.6104 0.5432 0.7170 0.0011 0.0260 0.0254 30 SER L OG 4663 N N . LEU C 31 ? 0.4823 0.3805 0.5539 0.0105 0.0279 0.0247 33 LEU L N 4664 C CA . LEU C 31 ? 0.4379 0.3487 0.5075 0.0189 0.0187 0.0269 33 LEU L CA 4665 C C . LEU C 31 ? 0.4062 0.3423 0.4922 0.0132 0.0049 0.0231 33 LEU L C 4666 O O . LEU C 31 ? 0.4276 0.3721 0.5244 0.0035 0.0014 0.0169 33 LEU L O 4667 C CB . LEU C 31 ? 0.5226 0.4120 0.5760 0.0186 0.0241 0.0234 33 LEU L CB 4668 C CG . LEU C 31 ? 0.4928 0.3948 0.5419 0.0284 0.0167 0.0260 33 LEU L CG 4669 C CD1 . LEU C 31 ? 0.4626 0.3366 0.4858 0.0407 0.0297 0.0297 33 LEU L CD1 4670 C CD2 . LEU C 31 ? 0.3677 0.2844 0.4286 0.0169 0.0044 0.0180 33 LEU L CD2 4671 N N . ALA C 32 ? 0.3994 0.3489 0.4837 0.0193 -0.0011 0.0271 34 ALA L N 4672 C CA . ALA C 32 ? 0.4258 0.3866 0.5151 0.0161 -0.0096 0.0250 34 ALA L CA 4673 C C . ALA C 32 ? 0.3641 0.3287 0.4454 0.0169 -0.0147 0.0240 34 ALA L C 4674 O O . ALA C 32 ? 0.3666 0.3336 0.4398 0.0216 -0.0126 0.0264 34 ALA L O 4675 C CB . ALA C 32 ? 0.3676 0.3325 0.4546 0.0165 -0.0081 0.0280 34 ALA L CB 4676 N N . TRP C 33 ? 0.3585 0.3251 0.4402 0.0150 -0.0203 0.0217 35 TRP L N 4677 C CA . TRP C 33 ? 0.3546 0.3223 0.4266 0.0146 -0.0243 0.0209 35 TRP L CA 4678 C C . TRP C 33 ? 0.3708 0.3327 0.4305 0.0121 -0.0230 0.0220 35 TRP L C 4679 O O . TRP C 33 ? 0.4050 0.3589 0.4636 0.0156 -0.0212 0.0234 35 TRP L O 4680 C CB . TRP C 33 ? 0.3976 0.3669 0.4731 0.0148 -0.0296 0.0171 35 TRP L CB 4681 C CG . TRP C 33 ? 0.3819 0.3476 0.4590 0.0123 -0.0277 0.0134 35 TRP L CG 4682 C CD1 . TRP C 33 ? 0.3277 0.2920 0.4114 0.0060 -0.0248 0.0085 35 TRP L CD1 4683 C CD2 . TRP C 33 ? 0.2720 0.2312 0.3385 0.0151 -0.0255 0.0134 35 TRP L CD2 4684 N NE1 . TRP C 33 ? 0.3998 0.3480 0.4731 0.0029 -0.0190 0.0048 35 TRP L NE1 4685 C CE2 . TRP C 33 ? 0.4015 0.3460 0.4643 0.0115 -0.0195 0.0088 35 TRP L CE2 4686 C CE3 . TRP C 33 ? 0.3908 0.3564 0.4484 0.0196 -0.0265 0.0165 35 TRP L CE3 4687 C CZ2 . TRP C 33 ? 0.3993 0.3276 0.4463 0.0164 -0.0130 0.0087 35 TRP L CZ2 4688 C CZ3 . TRP C 33 ? 0.4169 0.3775 0.4644 0.0258 -0.0225 0.0170 35 TRP L CZ3 4689 C CH2 . TRP C 33 ? 0.4068 0.3454 0.4477 0.0262 -0.0152 0.0138 35 TRP L CH2 4690 N N . TYR C 34 ? 0.3636 0.3284 0.4102 0.0060 -0.0217 0.0212 36 TYR L N 4691 C CA . TYR C 34 ? 0.3353 0.2856 0.3613 -0.0023 -0.0162 0.0199 36 TYR L CA 4692 C C . TYR C 34 ? 0.4810 0.4252 0.4925 -0.0060 -0.0169 0.0182 36 TYR L C 4693 O O . TYR C 34 ? 0.3554 0.3165 0.3729 -0.0057 -0.0217 0.0174 36 TYR L O 4694 C CB . TYR C 34 ? 0.4353 0.3972 0.4527 -0.0147 -0.0107 0.0177 36 TYR L CB 4695 C CG . TYR C 34 ? 0.4002 0.3654 0.4276 -0.0112 -0.0087 0.0197 36 TYR L CG 4696 C CD1 . TYR C 34 ? 0.3436 0.3287 0.3875 -0.0028 -0.0116 0.0230 36 TYR L CD1 4697 C CD2 . TYR C 34 ? 0.4096 0.3530 0.4252 -0.0146 -0.0014 0.0191 36 TYR L CD2 4698 C CE1 . TYR C 34 ? 0.3693 0.3550 0.4200 0.0005 -0.0085 0.0254 36 TYR L CE1 4699 C CE2 . TYR C 34 ? 0.3896 0.3368 0.4142 -0.0113 0.0007 0.0210 36 TYR L CE2 4700 C CZ . TYR C 34 ? 0.3677 0.3376 0.4110 -0.0045 -0.0035 0.0240 36 TYR L CZ 4701 O OH . TYR C 34 ? 0.5033 0.4746 0.5531 -0.0012 -0.0002 0.0264 36 TYR L OH 4702 N N . GLN C 35 ? 0.4306 0.3462 0.4188 -0.0081 -0.0097 0.0185 37 GLN L N 4703 C CA . GLN C 35 ? 0.4294 0.3311 0.3965 -0.0133 -0.0066 0.0172 37 GLN L CA 4704 C C . GLN C 35 ? 0.5099 0.3917 0.4451 -0.0346 0.0069 0.0120 37 GLN L C 4705 O O . GLN C 35 ? 0.5499 0.4037 0.4662 -0.0382 0.0178 0.0116 37 GLN L O 4706 C CB . GLN C 35 ? 0.4099 0.2888 0.3672 0.0041 -0.0059 0.0228 37 GLN L CB 4707 C CG . GLN C 35 ? 0.5266 0.3800 0.4534 0.0006 0.0012 0.0230 37 GLN L CG 4708 C CD . GLN C 35 ? 0.6395 0.4654 0.5466 0.0226 0.0065 0.0313 37 GLN L CD 4709 O OE1 . GLN C 35 ? 0.7037 0.4955 0.5861 0.0301 0.0197 0.0357 37 GLN L OE1 4710 N NE2 . GLN C 35 ? 0.7070 0.5488 0.6222 0.0353 -0.0025 0.0343 37 GLN L NE2 4711 N N . GLN C 36 ? 0.4791 0.3756 0.4055 -0.0507 0.0080 0.0069 38 GLN L N 4712 C CA . GLN C 36 ? 0.5399 0.4184 0.4309 -0.0780 0.0231 -0.0009 38 GLN L CA 4713 C C . GLN C 36 ? 0.6058 0.4573 0.4693 -0.0842 0.0304 -0.0019 38 GLN L C 4714 O O . GLN C 36 ? 0.5320 0.4142 0.4073 -0.0863 0.0229 -0.0030 38 GLN L O 4715 C CB . GLN C 36 ? 0.5149 0.4463 0.4157 -0.0990 0.0209 -0.0081 38 GLN L CB 4716 C CG . GLN C 36 ? 0.6635 0.5845 0.5262 -0.1354 0.0376 -0.0198 38 GLN L CG 4717 C CD . GLN C 36 ? 0.6529 0.6442 0.5267 -0.1566 0.0343 -0.0273 38 GLN L CD 4718 O OE1 . GLN C 36 ? 0.7446 0.7914 0.6477 -0.1435 0.0215 -0.0229 38 GLN L OE1 4719 N NE2 . GLN C 36 ? 0.7514 0.7421 0.5983 -0.1888 0.0475 -0.0386 38 GLN L NE2 4720 N N . ARG C 37 ? 0.6286 0.4191 0.4518 -0.0845 0.0470 -0.0005 39 ARG L N 4721 C CA . ARG C 37 ? 0.7414 0.4943 0.5271 -0.0926 0.0596 -0.0014 39 ARG L CA 4722 C C . ARG C 37 ? 0.7956 0.5504 0.5524 -0.1352 0.0741 -0.0153 39 ARG L C 4723 O O . ARG C 37 ? 0.7875 0.5556 0.5413 -0.1565 0.0791 -0.0234 39 ARG L O 4724 C CB . ARG C 37 ? 0.8449 0.5260 0.5899 -0.0731 0.0763 0.0071 39 ARG L CB 4725 C CG . ARG C 37 ? 0.8399 0.5295 0.6091 -0.0318 0.0629 0.0206 39 ARG L CG 4726 C CD . ARG C 37 ? 1.2596 0.8831 0.9803 -0.0089 0.0822 0.0312 39 ARG L CD 4727 N NE . ARG C 37 ? 1.3597 1.0035 1.1022 0.0313 0.0699 0.0443 39 ARG L NE 4728 C CZ . ARG C 37 ? 1.4352 1.0817 1.1864 0.0542 0.0697 0.0516 39 ARG L CZ 4729 N NH1 . ARG C 37 ? 1.4731 1.0958 1.2119 0.0425 0.0812 0.0476 39 ARG L NH1 4730 N NH2 . ARG C 37 ? 1.4269 1.1051 1.1988 0.0876 0.0581 0.0622 39 ARG L NH2 4731 N N . PRO C 38 ? 0.8386 0.5857 0.5738 -0.1499 0.0810 -0.0189 40 PRO L N 4732 C CA . PRO C 38 ? 0.9203 0.6768 0.6266 -0.1959 0.0960 -0.0341 40 PRO L CA 4733 C C . PRO C 38 ? 0.9896 0.6836 0.6419 -0.2235 0.1228 -0.0431 40 PRO L C 4734 O O . PRO C 38 ? 0.9877 0.5986 0.5961 -0.2107 0.1413 -0.0370 40 PRO L O 4735 C CB . PRO C 38 ? 0.9027 0.6388 0.5863 -0.2001 0.1027 -0.0335 40 PRO L CB 4736 C CG . PRO C 38 ? 0.9386 0.6961 0.6624 -0.1580 0.0808 -0.0198 40 PRO L CG 4737 C CD . PRO C 38 ? 0.8666 0.6064 0.6064 -0.1268 0.0739 -0.0102 40 PRO L CD 4738 N N . GLY C 39 ? 0.9671 0.7017 0.6196 -0.2593 0.1260 -0.0571 41 GLY L N 4739 C CA . GLY C 39 ? 1.0367 0.7157 0.6343 -0.2939 0.1531 -0.0696 41 GLY L CA 4740 C C . GLY C 39 ? 1.0936 0.7246 0.6860 -0.2679 0.1568 -0.0615 41 GLY L C 4741 O O . GLY C 39 ? 1.2981 0.8646 0.8390 -0.2746 0.1796 -0.0686 41 GLY L O 4742 N N . GLN C 40 ? 0.9308 0.6051 0.5799 -0.2282 0.1313 -0.0485 42 GLN L N 4743 C CA . GLN C 40 ? 0.9041 0.5440 0.5549 -0.2012 0.1326 -0.0398 42 GLN L CA 4744 C C . GLN C 40 ? 0.8639 0.5778 0.5710 -0.1915 0.1096 -0.0383 42 GLN L C 4745 O O . GLN C 40 ? 0.7884 0.5763 0.5391 -0.1900 0.0895 -0.0381 42 GLN L O 4746 C CB . GLN C 40 ? 0.9202 0.5188 0.5731 -0.1538 0.1296 -0.0218 42 GLN L CB 4747 C CG . GLN C 40 ? 1.1180 0.6305 0.7064 -0.1534 0.1563 -0.0191 42 GLN L CG 4748 C CD . GLN C 40 ? 1.2589 0.7415 0.8486 -0.1015 0.1532 0.0005 42 GLN L CD 4749 O OE1 . GLN C 40 ? 1.2790 0.7696 0.8910 -0.0709 0.1453 0.0102 42 GLN L OE1 4750 N NE2 . GLN C 40 ? 1.4056 0.8601 0.9715 -0.0916 0.1595 0.0064 42 GLN L NE2 4751 N N . ALA C 41 ? 0.8343 0.5237 0.5361 -0.1829 0.1151 -0.0364 43 ALA L N 4752 C CA . ALA C 41 ? 0.7241 0.4723 0.4744 -0.1700 0.0960 -0.0331 43 ALA L CA 4753 C C . ALA C 41 ? 0.7268 0.5029 0.5263 -0.1290 0.0740 -0.0183 43 ALA L C 4754 O O . ALA C 41 ? 0.6757 0.4151 0.4682 -0.1048 0.0756 -0.0092 43 ALA L O 4755 C CB . ALA C 41 ? 0.7619 0.4701 0.4908 -0.1695 0.1092 -0.0341 43 ALA L CB 4756 N N . PRO C 42 ? 0.5915 0.4327 0.4368 -0.1215 0.0551 -0.0163 44 PRO L N 4757 C CA . PRO C 42 ? 0.5179 0.3797 0.4044 -0.0881 0.0377 -0.0048 44 PRO L CA 4758 C C . PRO C 42 ? 0.5985 0.4242 0.4856 -0.0637 0.0404 0.0034 44 PRO L C 4759 O O . PRO C 42 ? 0.6148 0.4116 0.4808 -0.0689 0.0527 0.0015 44 PRO L O 4760 C CB . PRO C 42 ? 0.5788 0.5020 0.4993 -0.0879 0.0251 -0.0049 44 PRO L CB 4761 C CG . PRO C 42 ? 0.5649 0.5195 0.4682 -0.1191 0.0311 -0.0155 44 PRO L CG 4762 C CD . PRO C 42 ? 0.6839 0.5840 0.5406 -0.1436 0.0510 -0.0244 44 PRO L CD 4763 N N . ARG C 43 ? 0.5623 0.3945 0.4728 -0.0382 0.0296 0.0118 45 ARG L N 4764 C CA . ARG C 43 ? 0.5201 0.3331 0.4342 -0.0135 0.0310 0.0201 45 ARG L CA 4765 C C . ARG C 43 ? 0.4428 0.2977 0.4012 0.0014 0.0146 0.0240 45 ARG L C 4766 O O . ARG C 43 ? 0.4323 0.3129 0.4101 0.0026 0.0035 0.0235 45 ARG L O 4767 C CB . ARG C 43 ? 0.7407 0.5178 0.6282 0.0024 0.0385 0.0263 45 ARG L CB 4768 C CG . ARG C 43 ? 0.7816 0.5566 0.6761 0.0338 0.0378 0.0369 45 ARG L CG 4769 C CD . ARG C 43 ? 0.7851 0.5453 0.6614 0.0532 0.0399 0.0443 45 ARG L CD 4770 N NE . ARG C 43 ? 0.9896 0.7368 0.8522 0.0857 0.0478 0.0562 45 ARG L NE 4771 C CZ . ARG C 43 ? 1.1225 0.8623 0.9670 0.1116 0.0510 0.0661 45 ARG L CZ 4772 N NH1 . ARG C 43 ? 1.1409 0.8804 0.9796 0.1056 0.0465 0.0644 45 ARG L NH1 4773 N NH2 . ARG C 43 ? 1.1379 0.8747 0.9695 0.1457 0.0590 0.0787 45 ARG L NH2 4774 N N . LEU C 44 ? 0.5054 0.3637 0.4760 0.0109 0.0153 0.0271 46 LEU L N 4775 C CA . LEU C 44 ? 0.5393 0.4316 0.5463 0.0210 0.0038 0.0294 46 LEU L CA 4776 C C . LEU C 44 ? 0.5105 0.4135 0.5262 0.0374 -0.0024 0.0335 46 LEU L C 4777 O O . LEU C 44 ? 0.5172 0.4066 0.5182 0.0537 0.0037 0.0395 46 LEU L O 4778 C CB . LEU C 44 ? 0.4180 0.3114 0.4330 0.0255 0.0081 0.0314 46 LEU L CB 4779 C CG . LEU C 44 ? 0.4537 0.3783 0.5018 0.0316 -0.0001 0.0325 46 LEU L CG 4780 C CD1 . LEU C 44 ? 0.3338 0.2753 0.3968 0.0212 -0.0063 0.0288 46 LEU L CD1 4781 C CD2 . LEU C 44 ? 0.4240 0.3477 0.4764 0.0368 0.0061 0.0351 46 LEU L CD2 4782 N N . VAL C 45 ? 0.5096 0.4380 0.5459 0.0343 -0.0132 0.0306 47 VAL L N 4783 C CA . VAL C 45 ? 0.4487 0.3959 0.4936 0.0452 -0.0202 0.0321 47 VAL L CA 4784 C C . VAL C 45 ? 0.4088 0.3883 0.4808 0.0458 -0.0255 0.0301 47 VAL L C 4785 O O . VAL C 45 ? 0.3963 0.3980 0.4742 0.0581 -0.0267 0.0333 47 VAL L O 4786 C CB . VAL C 45 ? 0.4553 0.4068 0.4996 0.0383 -0.0267 0.0282 47 VAL L CB 4787 C CG1 . VAL C 45 ? 0.5112 0.4891 0.5662 0.0459 -0.0348 0.0276 47 VAL L CG1 4788 C CG2 . VAL C 45 ? 0.5026 0.4259 0.5186 0.0355 -0.0204 0.0295 47 VAL L CG2 4789 N N . ILE C 46 ? 0.3488 0.3321 0.4340 0.0328 -0.0268 0.0250 48 ILE L N 4790 C CA . ILE C 46 ? 0.3932 0.3981 0.4981 0.0265 -0.0282 0.0207 48 ILE L CA 4791 C C . ILE C 46 ? 0.3809 0.3734 0.4891 0.0204 -0.0219 0.0209 48 ILE L C 4792 O O . ILE C 46 ? 0.4506 0.4268 0.5495 0.0181 -0.0196 0.0221 48 ILE L O 4793 C CB . ILE C 46 ? 0.4032 0.4164 0.5122 0.0162 -0.0328 0.0134 48 ILE L CB 4794 C CG1 . ILE C 46 ? 0.5563 0.5930 0.6649 0.0218 -0.0399 0.0126 48 ILE L CG1 4795 C CG2 . ILE C 46 ? 0.4197 0.4400 0.5394 0.0025 -0.0287 0.0067 48 ILE L CG2 4796 C CD1 . ILE C 46 ? 0.6177 0.6963 0.7412 0.0215 -0.0424 0.0099 48 ILE L CD1 4797 N N . TYR C 47 ? 0.3756 0.3809 0.4962 0.0185 -0.0187 0.0202 49 TYR L N 4798 C CA . TYR C 47 ? 0.4045 0.3976 0.5271 0.0128 -0.0118 0.0205 49 TYR L CA 4799 C C . TYR C 47 ? 0.4417 0.4459 0.5752 0.0007 -0.0080 0.0143 49 TYR L C 4800 O O . TYR C 47 ? 0.3940 0.4261 0.5373 -0.0044 -0.0116 0.0094 49 TYR L O 4801 C CB . TYR C 47 ? 0.3464 0.3345 0.4666 0.0200 -0.0072 0.0259 49 TYR L CB 4802 C CG . TYR C 47 ? 0.4397 0.4492 0.5694 0.0273 -0.0064 0.0276 49 TYR L CG 4803 C CD1 . TYR C 47 ? 0.4415 0.4556 0.5630 0.0417 -0.0080 0.0320 49 TYR L CD1 4804 C CD2 . TYR C 47 ? 0.4392 0.4650 0.5831 0.0219 -0.0021 0.0259 49 TYR L CD2 4805 C CE1 . TYR C 47 ? 0.4474 0.4866 0.5752 0.0550 -0.0060 0.0361 49 TYR L CE1 4806 C CE2 . TYR C 47 ? 0.4319 0.4875 0.5858 0.0306 -0.0013 0.0282 49 TYR L CE2 4807 C CZ . TYR C 47 ? 0.4795 0.5442 0.6256 0.0494 -0.0035 0.0340 49 TYR L CZ 4808 O OH . TYR C 47 ? 0.4647 0.5646 0.6184 0.0645 -0.0013 0.0388 49 TYR L OH 4809 N N . SER C 48 ? 0.4399 0.4237 0.5684 -0.0047 0.0008 0.0145 50 SER L N 4810 C CA . SER C 48 ? 0.4917 0.4723 0.6214 -0.0203 0.0096 0.0076 50 SER L CA 4811 C C . SER C 48 ? 0.4503 0.4323 0.5751 -0.0336 0.0086 -0.0019 50 SER L C 4812 O O . SER C 48 ? 0.3718 0.3706 0.5014 -0.0523 0.0122 -0.0116 50 SER L O 4813 C CB . SER C 48 ? 0.4352 0.4453 0.5814 -0.0256 0.0108 0.0057 50 SER L CB 4814 O OG . SER C 48 ? 0.5979 0.6058 0.7428 -0.0466 0.0214 -0.0030 50 SER L OG 4815 N N . GLY C 49 ? 0.4504 0.4183 0.5645 -0.0261 0.0043 0.0000 51 GLY L N 4816 C CA . GLY C 49 ? 0.4522 0.4131 0.5563 -0.0377 0.0053 -0.0088 51 GLY L CA 4817 C C . GLY C 49 ? 0.5037 0.5025 0.6191 -0.0412 -0.0072 -0.0141 51 GLY L C 4818 O O . GLY C 49 ? 0.4351 0.4286 0.5420 -0.0395 -0.0117 -0.0159 51 GLY L O 4819 N N . SER C 50 ? 0.3945 0.4347 0.5275 -0.0436 -0.0123 -0.0156 52 SER L N 4820 C CA . SER C 50 ? 0.5235 0.6087 0.6653 -0.0448 -0.0228 -0.0200 52 SER L CA 4821 C C . SER C 50 ? 0.4798 0.6074 0.6367 -0.0269 -0.0297 -0.0119 52 SER L C 4822 O O . SER C 50 ? 0.4633 0.6346 0.6260 -0.0211 -0.0379 -0.0124 52 SER L O 4823 C CB . SER C 50 ? 0.4340 0.5412 0.5755 -0.0743 -0.0182 -0.0360 52 SER L CB 4824 O OG . SER C 50 ? 0.4464 0.5691 0.5968 -0.0887 -0.0100 -0.0403 52 SER L OG 4825 N N . THR C 51 ? 0.3906 0.5054 0.5507 -0.0158 -0.0252 -0.0036 53 THR L N 4826 C CA . THR C 51 ? 0.3711 0.5164 0.5389 0.0048 -0.0278 0.0053 53 THR L CA 4827 C C . THR C 51 ? 0.3592 0.4810 0.5114 0.0283 -0.0308 0.0159 53 THR L C 4828 O O . THR C 51 ? 0.3513 0.4290 0.4907 0.0299 -0.0274 0.0192 53 THR L O 4829 C CB . THR C 51 ? 0.3640 0.5019 0.5376 0.0066 -0.0197 0.0092 53 THR L CB 4830 O OG1 . THR C 51 ? 0.4118 0.5639 0.5952 -0.0180 -0.0139 -0.0010 53 THR L OG1 4831 C CG2 . THR C 51 ? 0.2655 0.4363 0.4440 0.0302 -0.0200 0.0186 53 THR L CG2 4832 N N . ARG C 52 ? 0.3363 0.4901 0.4869 0.0459 -0.0356 0.0210 54 ARG L N 4833 C CA . ARG C 52 ? 0.3823 0.5074 0.5106 0.0681 -0.0345 0.0311 54 ARG L CA 4834 C C . ARG C 52 ? 0.4982 0.5956 0.6129 0.0859 -0.0244 0.0411 54 ARG L C 4835 O O . ARG C 52 ? 0.5149 0.6406 0.6381 0.0974 -0.0209 0.0454 54 ARG L O 4836 C CB . ARG C 52 ? 0.3704 0.5360 0.4955 0.0858 -0.0405 0.0354 54 ARG L CB 4837 C CG . ARG C 52 ? 0.4018 0.5753 0.5273 0.0714 -0.0491 0.0270 54 ARG L CG 4838 C CD . ARG C 52 ? 0.5038 0.7156 0.6216 0.0930 -0.0544 0.0334 54 ARG L CD 4839 N NE . ARG C 52 ? 0.6342 0.9256 0.7728 0.0898 -0.0610 0.0283 54 ARG L NE 4840 C CZ . ARG C 52 ? 0.7332 1.0750 0.8766 0.1143 -0.0594 0.0378 54 ARG L CZ 4841 N NH1 . ARG C 52 ? 0.7771 1.0859 0.9014 0.1461 -0.0496 0.0536 54 ARG L NH1 4842 N NH2 . ARG C 52 ? 0.7327 1.1596 0.8970 0.1067 -0.0662 0.0310 54 ARG L NH2 4843 N N . ALA C 53 ? 0.4554 0.4993 0.5470 0.0862 -0.0185 0.0438 55 ALA L N 4844 C CA . ALA C 53 ? 0.4957 0.5034 0.5646 0.0998 -0.0060 0.0515 55 ALA L CA 4845 C C . ALA C 53 ? 0.4976 0.5053 0.5439 0.1310 0.0007 0.0631 55 ALA L C 4846 O O . ALA C 53 ? 0.5189 0.5527 0.5659 0.1410 -0.0059 0.0654 55 ALA L O 4847 C CB . ALA C 53 ? 0.5048 0.4617 0.5518 0.0855 -0.0005 0.0484 55 ALA L CB 4848 N N . ALA C 54 ? 0.5395 0.5160 0.5617 0.1484 0.0153 0.0713 56 ALA L N 4849 C CA . ALA C 54 ? 0.5366 0.5035 0.5281 0.1850 0.0269 0.0853 56 ALA L CA 4850 C C . ALA C 54 ? 0.6281 0.5520 0.5846 0.1900 0.0321 0.0884 56 ALA L C 4851 O O . ALA C 54 ? 0.7119 0.5882 0.6518 0.1663 0.0357 0.0809 56 ALA L O 4852 C CB . ALA C 54 ? 0.7407 0.6656 0.7042 0.2006 0.0460 0.0925 56 ALA L CB 4853 N N . GLY C 55 ? 0.6070 0.5534 0.5516 0.2210 0.0327 0.0995 57 GLY L N 4854 C CA . GLY C 55 ? 0.6428 0.5472 0.5500 0.2299 0.0397 0.1045 57 GLY L CA 4855 C C . GLY C 55 ? 0.6270 0.5610 0.5578 0.2083 0.0216 0.0950 57 GLY L C 4856 O O . GLY C 55 ? 0.6904 0.6002 0.5944 0.2166 0.0253 0.0992 57 GLY L O 4857 N N . ILE C 56 ? 0.6259 0.6066 0.6023 0.1810 0.0043 0.0823 58 ILE L N 4858 C CA . ILE C 56 ? 0.4463 0.4526 0.4431 0.1603 -0.0111 0.0725 58 ILE L CA 4859 C C . ILE C 56 ? 0.4761 0.5544 0.4924 0.1748 -0.0230 0.0747 58 ILE L C 4860 O O . ILE C 56 ? 0.5841 0.7186 0.6276 0.1759 -0.0287 0.0729 58 ILE L O 4861 C CB . ILE C 56 ? 0.5532 0.5670 0.5811 0.1254 -0.0199 0.0583 58 ILE L CB 4862 C CG1 . ILE C 56 ? 0.5735 0.5328 0.5850 0.1117 -0.0093 0.0561 58 ILE L CG1 4863 C CG2 . ILE C 56 ? 0.4680 0.4954 0.5078 0.1068 -0.0316 0.0491 58 ILE L CG2 4864 C CD1 . ILE C 56 ? 0.5510 0.4605 0.5287 0.1061 -0.0013 0.0563 58 ILE L CD1 4865 N N . PRO C 57 ? 0.5466 0.6281 0.5483 0.1839 -0.0265 0.0776 59 PRO L N 4866 C CA . PRO C 57 ? 0.5028 0.6588 0.5196 0.1968 -0.0383 0.0790 59 PRO L CA 4867 C C . PRO C 57 ? 0.5201 0.7244 0.5748 0.1613 -0.0540 0.0610 59 PRO L C 4868 O O . PRO C 57 ? 0.5632 0.7321 0.6261 0.1319 -0.0550 0.0499 59 PRO L O 4869 C CB . PRO C 57 ? 0.5670 0.6948 0.5508 0.2132 -0.0351 0.0867 59 PRO L CB 4870 C CG . PRO C 57 ? 0.6205 0.6748 0.5898 0.1880 -0.0292 0.0797 59 PRO L CG 4871 C CD . PRO C 57 ? 0.5998 0.6183 0.5692 0.1795 -0.0193 0.0787 59 PRO L CD 4872 N N . ASP C 58 ? 0.5066 0.7908 0.5799 0.1641 -0.0642 0.0580 60 ASP L N 4873 C CA . ASP C 58 ? 0.5691 0.8957 0.6718 0.1265 -0.0748 0.0388 60 ASP L CA 4874 C C . ASP C 58 ? 0.5698 0.8739 0.6666 0.1052 -0.0807 0.0284 60 ASP L C 4875 O O . ASP C 58 ? 0.5525 0.8798 0.6645 0.0737 -0.0864 0.0119 60 ASP L O 4876 C CB . ASP C 58 ? 0.5712 0.9989 0.6936 0.1304 -0.0825 0.0362 60 ASP L CB 4877 C CG . ASP C 58 ? 0.7366 1.2105 0.8432 0.1654 -0.0866 0.0489 60 ASP L CG 4878 O OD1 . ASP C 58 ? 0.8682 1.2915 0.9487 0.1797 -0.0841 0.0564 60 ASP L OD1 4879 O OD2 . ASP C 58 ? 0.7435 1.3076 0.8624 0.1787 -0.0913 0.0515 60 ASP L OD2 4880 N N . ARG C 59 ? 0.5139 0.7691 0.5847 0.1214 -0.0772 0.0375 61 ARG L N 4881 C CA . ARG C 59 ? 0.4640 0.6911 0.5273 0.1034 -0.0811 0.0290 61 ARG L CA 4882 C C . ARG C 59 ? 0.4868 0.6660 0.5577 0.0753 -0.0774 0.0189 61 ARG L C 4883 O O . ARG C 59 ? 0.4387 0.6058 0.5100 0.0551 -0.0803 0.0084 61 ARG L O 4884 C CB . ARG C 59 ? 0.5834 0.7686 0.6148 0.1268 -0.0757 0.0417 61 ARG L CB 4885 C CG . ARG C 59 ? 0.7007 0.9269 0.7167 0.1621 -0.0764 0.0553 61 ARG L CG 4886 C CD . ARG C 59 ? 0.7838 0.9579 0.7615 0.1828 -0.0679 0.0673 61 ARG L CD 4887 N NE . ARG C 59 ? 0.7515 0.8531 0.7022 0.1935 -0.0508 0.0772 61 ARG L NE 4888 C CZ . ARG C 59 ? 0.6426 0.6818 0.5829 0.1716 -0.0441 0.0716 61 ARG L CZ 4889 N NH1 . ARG C 59 ? 0.5874 0.6273 0.5429 0.1436 -0.0529 0.0586 61 ARG L NH1 4890 N NH2 . ARG C 59 ? 0.6479 0.6266 0.5601 0.1776 -0.0272 0.0786 61 ARG L NH2 4891 N N . PHE C 60 ? 0.4610 0.6136 0.5347 0.0773 -0.0699 0.0232 62 PHE L N 4892 C CA . PHE C 60 ? 0.4575 0.5747 0.5386 0.0556 -0.0658 0.0159 62 PHE L CA 4893 C C . PHE C 60 ? 0.4746 0.6235 0.5776 0.0367 -0.0670 0.0056 62 PHE L C 4894 O O . PHE C 60 ? 0.5608 0.7432 0.6751 0.0439 -0.0664 0.0086 62 PHE L O 4895 C CB . PHE C 60 ? 0.3777 0.4524 0.4481 0.0646 -0.0565 0.0246 62 PHE L CB 4896 C CG . PHE C 60 ? 0.4415 0.4758 0.4847 0.0744 -0.0512 0.0316 62 PHE L CG 4897 C CD1 . PHE C 60 ? 0.5408 0.5714 0.5621 0.0986 -0.0470 0.0425 62 PHE L CD1 4898 C CD2 . PHE C 60 ? 0.4037 0.4045 0.4397 0.0599 -0.0482 0.0279 62 PHE L CD2 4899 C CE1 . PHE C 60 ? 0.5923 0.5772 0.5821 0.1039 -0.0383 0.0479 62 PHE L CE1 4900 C CE2 . PHE C 60 ? 0.3925 0.3596 0.4020 0.0631 -0.0418 0.0323 62 PHE L CE2 4901 C CZ . PHE C 60 ? 0.4351 0.3894 0.4199 0.0830 -0.0359 0.0415 62 PHE L CZ 4902 N N . SER C 61 ? 0.4013 0.5372 0.5068 0.0129 -0.0661 -0.0063 63 SER L N 4903 C CA . SER C 61 ? 0.4237 0.5752 0.5418 -0.0093 -0.0623 -0.0172 63 SER L CA 4904 C C . SER C 61 ? 0.4133 0.5139 0.5232 -0.0242 -0.0532 -0.0223 63 SER L C 4905 O O . SER C 61 ? 0.4562 0.5275 0.5525 -0.0251 -0.0522 -0.0236 63 SER L O 4906 C CB . SER C 61 ? 0.4375 0.6403 0.5603 -0.0267 -0.0675 -0.0300 63 SER L CB 4907 O OG . SER C 61 ? 0.6315 0.8128 0.7397 -0.0385 -0.0679 -0.0381 63 SER L OG 4908 N N . GLY C 62 ? 0.4144 0.5060 0.5307 -0.0329 -0.0453 -0.0239 64 GLY L N 4909 C CA . GLY C 62 ? 0.4069 0.4510 0.5114 -0.0424 -0.0339 -0.0266 64 GLY L CA 4910 C C . GLY C 62 ? 0.4097 0.4507 0.5072 -0.0702 -0.0241 -0.0414 64 GLY L C 4911 O O . GLY C 62 ? 0.4926 0.5739 0.6020 -0.0853 -0.0250 -0.0492 64 GLY L O 4912 N N . SER C 63 ? 0.4472 0.4403 0.5219 -0.0774 -0.0127 -0.0456 65 SER L N 4913 C CA . SER C 63 ? 0.4309 0.4014 0.4868 -0.1060 0.0028 -0.0605 65 SER L CA 4914 C C . SER C 63 ? 0.5312 0.4337 0.5600 -0.0997 0.0217 -0.0557 65 SER L C 4915 O O . SER C 63 ? 0.5641 0.4485 0.5908 -0.0735 0.0198 -0.0420 65 SER L O 4916 C CB . SER C 63 ? 0.4852 0.4664 0.5286 -0.1245 0.0009 -0.0745 65 SER L CB 4917 O OG . SER C 63 ? 0.5418 0.4976 0.5730 -0.1060 -0.0023 -0.0679 65 SER L OG 4918 N N . ARG C 64 ? 0.5653 0.4320 0.5702 -0.1237 0.0416 -0.0669 66 ARG L N 4919 C CA . ARG C 64 ? 0.6753 0.4712 0.6463 -0.1141 0.0640 -0.0608 66 ARG L CA 4920 C C . ARG C 64 ? 0.6398 0.3805 0.5672 -0.1423 0.0886 -0.0769 66 ARG L C 4921 O O . ARG C 64 ? 0.6361 0.3886 0.5603 -0.1792 0.0954 -0.0943 66 ARG L O 4922 C CB . ARG C 64 ? 0.6215 0.4115 0.6002 -0.1077 0.0706 -0.0523 66 ARG L CB 4923 C CG . ARG C 64 ? 0.7595 0.4782 0.6996 -0.0926 0.0954 -0.0433 66 ARG L CG 4924 C CD . ARG C 64 ? 0.7385 0.4406 0.6747 -0.1014 0.1094 -0.0424 66 ARG L CD 4925 N NE . ARG C 64 ? 0.7885 0.4986 0.7223 -0.1442 0.1174 -0.0623 66 ARG L NE 4926 C CZ . ARG C 64 ? 0.9169 0.5719 0.8079 -0.1730 0.1428 -0.0772 66 ARG L CZ 4927 N NH1 . ARG C 64 ? 0.9793 0.6549 0.8710 -0.2173 0.1489 -0.0974 66 ARG L NH1 4928 N NH2 . ARG C 64 ? 0.9325 0.5129 0.7765 -0.1581 0.1640 -0.0723 66 ARG L NH2 4929 N N . TRP C 65 ? 0.7377 0.4188 0.6285 -0.1255 0.1038 -0.0716 67 TRP L N 4930 C CA . TRP C 65 ? 0.8446 0.4517 0.6810 -0.1474 0.1343 -0.0846 67 TRP L CA 4931 C C . TRP C 65 ? 0.8069 0.3388 0.6026 -0.1149 0.1594 -0.0679 67 TRP L C 4932 O O . TRP C 65 ? 0.8938 0.4188 0.6844 -0.0781 0.1562 -0.0526 67 TRP L O 4933 C CB . TRP C 65 ? 0.8440 0.4495 0.6655 -0.1595 0.1316 -0.0968 67 TRP L CB 4934 C CG . TRP C 65 ? 0.8345 0.5116 0.6862 -0.1943 0.1123 -0.1148 67 TRP L CG 4935 C CD1 . TRP C 65 ? 0.6747 0.4309 0.5725 -0.1832 0.0811 -0.1102 67 TRP L CD1 4936 C CD2 . TRP C 65 ? 0.7231 0.4037 0.5581 -0.2453 0.1245 -0.1400 67 TRP L CD2 4937 N NE1 . TRP C 65 ? 0.7267 0.5401 0.6387 -0.2185 0.0720 -0.1287 67 TRP L NE1 4938 C CE2 . TRP C 65 ? 0.6737 0.4483 0.5502 -0.2594 0.0971 -0.1484 67 TRP L CE2 4939 C CE3 . TRP C 65 ? 0.8005 0.4217 0.5882 -0.2763 0.1561 -0.1537 67 TRP L CE3 4940 C CZ2 . TRP C 65 ? 0.7039 0.5210 0.5785 -0.3084 0.0994 -0.1730 67 TRP L CZ2 4941 C CZ3 . TRP C 65 ? 0.8204 0.4894 0.6081 -0.3186 0.1570 -0.1739 67 TRP L CZ3 4942 C CH2 . TRP C 65 ? 0.8971 0.6641 0.7286 -0.3357 0.1287 -0.1843 67 TRP L CH2 4943 N N . GLY C 66 ? 0.9163 0.3958 0.6814 -0.1274 0.1853 -0.0704 68 GLY L N 4944 C CA . GLY C 66 ? 1.0008 0.4247 0.7309 -0.0900 0.2072 -0.0505 68 GLY L CA 4945 C C . GLY C 66 ? 0.7797 0.2521 0.5501 -0.0510 0.1855 -0.0291 68 GLY L C 4946 O O . GLY C 66 ? 0.7831 0.3190 0.6014 -0.0602 0.1628 -0.0299 68 GLY L O 4947 N N . PRO C 67 ? 0.8404 0.2945 0.5919 -0.0066 0.1916 -0.0096 69 PRO L N 4948 C CA . PRO C 67 ? 0.8633 0.3780 0.6521 0.0279 0.1700 0.0095 69 PRO L CA 4949 C C . PRO C 67 ? 0.7809 0.3668 0.6133 0.0304 0.1382 0.0085 69 PRO L C 4950 O O . PRO C 67 ? 0.7478 0.3833 0.6069 0.0541 0.1218 0.0218 69 PRO L O 4951 C CB . PRO C 67 ? 0.8990 0.3678 0.6425 0.0735 0.1938 0.0300 69 PRO L CB 4952 C CG . PRO C 67 ? 0.9431 0.3626 0.6424 0.0668 0.2129 0.0217 69 PRO L CG 4953 C CD . PRO C 67 ? 0.8942 0.2892 0.5889 0.0141 0.2184 -0.0033 69 PRO L CD 4954 N N . ASP C 68 ? 0.7311 0.3217 0.5675 0.0044 0.1310 -0.0077 70 ASP L N 4955 C CA . ASP C 68 ? 0.6870 0.3358 0.5572 0.0076 0.1043 -0.0082 70 ASP L CA 4956 C C . ASP C 68 ? 0.6321 0.3398 0.5477 -0.0168 0.0798 -0.0177 70 ASP L C 4957 O O . ASP C 68 ? 0.6351 0.3454 0.5526 -0.0483 0.0795 -0.0340 70 ASP L O 4958 C CB . ASP C 68 ? 0.6845 0.3058 0.5286 0.0011 0.1111 -0.0175 70 ASP L CB 4959 C CG . ASP C 68 ? 0.8884 0.4539 0.6852 0.0330 0.1357 -0.0055 70 ASP L CG 4960 O OD1 . ASP C 68 ? 0.8751 0.4614 0.6766 0.0690 0.1336 0.0133 70 ASP L OD1 4961 O OD2 . ASP C 68 ? 1.0526 0.5552 0.8047 0.0223 0.1585 -0.0151 70 ASP L OD2 4962 N N . TYR C 69 ? 0.6062 0.3626 0.5547 -0.0019 0.0610 -0.0073 71 TYR L N 4963 C CA . TYR C 69 ? 0.6103 0.4182 0.5962 -0.0164 0.0399 -0.0126 71 TYR L CA 4964 C C . TYR C 69 ? 0.6353 0.4736 0.6332 -0.0130 0.0233 -0.0136 71 TYR L C 4965 O O . TYR C 69 ? 0.5867 0.4255 0.5782 0.0062 0.0220 -0.0050 71 TYR L O 4966 C CB . TYR C 69 ? 0.5101 0.3433 0.5174 -0.0045 0.0329 -0.0021 71 TYR L CB 4967 C CG . TYR C 69 ? 0.5373 0.3466 0.5365 -0.0084 0.0474 -0.0007 71 TYR L CG 4968 C CD1 . TYR C 69 ? 0.5670 0.3324 0.5352 0.0075 0.0676 0.0076 71 TYR L CD1 4969 C CD2 . TYR C 69 ? 0.5580 0.3898 0.5785 -0.0248 0.0424 -0.0061 71 TYR L CD2 4970 C CE1 . TYR C 69 ? 0.6695 0.4086 0.6265 0.0050 0.0828 0.0098 71 TYR L CE1 4971 C CE2 . TYR C 69 ? 0.5957 0.4061 0.6085 -0.0295 0.0564 -0.0049 71 TYR L CE2 4972 C CZ . TYR C 69 ? 0.6920 0.4536 0.6724 -0.0156 0.0767 0.0028 71 TYR L CZ 4973 O OH . TYR C 69 ? 0.8201 0.5557 0.7888 -0.0195 0.0925 0.0047 71 TYR L OH 4974 N N . ASN C 70 ? 0.5102 0.3780 0.5244 -0.0304 0.0112 -0.0235 72 ASN L N 4975 C CA . ASN C 70 ? 0.4939 0.3864 0.5151 -0.0265 -0.0027 -0.0240 72 ASN L CA 4976 C C . ASN C 70 ? 0.4600 0.3966 0.5074 -0.0258 -0.0191 -0.0218 72 ASN L C 4977 O O . ASN C 70 ? 0.5068 0.4654 0.5671 -0.0371 -0.0215 -0.0267 72 ASN L O 4978 C CB . ASN C 70 ? 0.4731 0.3558 0.4779 -0.0442 0.0007 -0.0377 72 ASN L CB 4979 N N . LEU C 71 ? 0.4483 0.3967 0.4998 -0.0116 -0.0279 -0.0138 73 LEU L N 4980 C CA . LEU C 71 ? 0.4727 0.4507 0.5376 -0.0075 -0.0395 -0.0108 73 LEU L CA 4981 C C . LEU C 71 ? 0.4735 0.4634 0.5324 -0.0081 -0.0469 -0.0146 73 LEU L C 4982 O O . LEU C 71 ? 0.4262 0.4022 0.4733 -0.0032 -0.0461 -0.0130 73 LEU L O 4983 C CB . LEU C 71 ? 0.4549 0.4304 0.5210 0.0048 -0.0405 -0.0005 73 LEU L CB 4984 C CG . LEU C 71 ? 0.4806 0.4700 0.5476 0.0118 -0.0474 0.0038 73 LEU L CG 4985 C CD1 . LEU C 71 ? 0.3722 0.3812 0.4511 0.0133 -0.0491 0.0041 73 LEU L CD1 4986 C CD2 . LEU C 71 ? 0.4036 0.3807 0.4612 0.0170 -0.0446 0.0106 73 LEU L CD2 4987 N N . THR C 72 ? 0.3676 0.3883 0.4341 -0.0133 -0.0535 -0.0195 74 THR L N 4988 C CA . THR C 72 ? 0.4317 0.4705 0.4922 -0.0117 -0.0611 -0.0221 74 THR L CA 4989 C C . THR C 72 ? 0.4439 0.5072 0.5079 0.0054 -0.0685 -0.0128 74 THR L C 4990 O O . THR C 72 ? 0.4478 0.5380 0.5228 0.0097 -0.0702 -0.0104 74 THR L O 4991 C CB . THR C 72 ? 0.5647 0.6264 0.6248 -0.0318 -0.0618 -0.0365 74 THR L CB 4992 O OG1 . THR C 72 ? 0.8354 0.9341 0.9113 -0.0387 -0.0634 -0.0395 74 THR L OG1 4993 C CG2 . THR C 72 ? 0.3425 0.3626 0.3868 -0.0479 -0.0489 -0.0458 74 THR L CG2 4994 N N . ILE C 73 ? 0.4318 0.4838 0.4827 0.0165 -0.0706 -0.0069 75 ILE L N 4995 C CA . ILE C 73 ? 0.4329 0.4924 0.4759 0.0358 -0.0727 0.0039 75 ILE L CA 4996 C C . ILE C 73 ? 0.4338 0.5165 0.4676 0.0419 -0.0794 0.0031 75 ILE L C 4997 O O . ILE C 73 ? 0.4653 0.5296 0.4864 0.0401 -0.0794 0.0021 75 ILE L O 4998 C CB . ILE C 73 ? 0.3965 0.4168 0.4242 0.0421 -0.0656 0.0120 75 ILE L CB 4999 C CG1 . ILE C 73 ? 0.3440 0.3471 0.3802 0.0335 -0.0598 0.0112 75 ILE L CG1 5000 C CG2 . ILE C 73 ? 0.4087 0.4216 0.4195 0.0616 -0.0616 0.0232 75 ILE L CG2 5001 C CD1 . ILE C 73 ? 0.5305 0.5060 0.5523 0.0320 -0.0531 0.0152 75 ILE L CD1 5002 N N . SER C 74 ? 0.4554 0.5848 0.4960 0.0494 -0.0851 0.0035 76 SER L N 5003 C CA . SER C 74 ? 0.5727 0.7373 0.6054 0.0562 -0.0926 0.0026 76 SER L CA 5004 C C . SER C 74 ? 0.5257 0.6820 0.5365 0.0869 -0.0901 0.0190 76 SER L C 5005 O O . SER C 74 ? 0.5173 0.6545 0.5206 0.1045 -0.0826 0.0306 76 SER L O 5006 C CB . SER C 74 ? 0.6553 0.8882 0.7046 0.0484 -0.0998 -0.0056 76 SER L CB 5007 O OG . SER C 74 ? 0.7513 0.9825 0.8131 0.0166 -0.0979 -0.0220 76 SER L OG 5008 N N . ASN C 75 ? 0.5725 0.7384 0.5685 0.0935 -0.0942 0.0199 77 ASN L N 5009 C CA . ASN C 75 ? 0.5661 0.7206 0.5341 0.1244 -0.0896 0.0361 77 ASN L CA 5010 C C . ASN C 75 ? 0.6011 0.6858 0.5466 0.1315 -0.0751 0.0460 77 ASN L C 5011 O O . ASN C 75 ? 0.6927 0.7614 0.6197 0.1558 -0.0654 0.0595 77 ASN L O 5012 C CB . ASN C 75 ? 0.7226 0.9328 0.6911 0.1525 -0.0920 0.0465 77 ASN L CB 5013 C CG . ASN C 75 ? 0.8838 1.1764 0.8758 0.1395 -0.1059 0.0342 77 ASN L CG 5014 O OD1 . ASN C 75 ? 0.8906 1.1968 0.8841 0.1200 -0.1130 0.0219 77 ASN L OD1 5015 N ND2 . ASN C 75 ? 0.9762 1.3261 0.9849 0.1480 -0.1086 0.0362 77 ASN L ND2 5016 N N . LEU C 76 ? 0.5101 0.5556 0.4545 0.1099 -0.0721 0.0387 78 LEU L N 5017 C CA . LEU C 76 ? 0.5674 0.5557 0.4927 0.1064 -0.0586 0.0434 78 LEU L CA 5018 C C . LEU C 76 ? 0.6526 0.6029 0.5367 0.1294 -0.0448 0.0577 78 LEU L C 5019 O O . LEU C 76 ? 0.6423 0.5932 0.5063 0.1421 -0.0448 0.0628 78 LEU L O 5020 C CB . LEU C 76 ? 0.5297 0.4989 0.4570 0.0834 -0.0587 0.0343 78 LEU L CB 5021 C CG . LEU C 76 ? 0.5840 0.5639 0.5394 0.0627 -0.0633 0.0234 78 LEU L CG 5022 C CD1 . LEU C 76 ? 0.5440 0.5148 0.4971 0.0490 -0.0632 0.0172 78 LEU L CD1 5023 C CD2 . LEU C 76 ? 0.4661 0.4271 0.4252 0.0583 -0.0557 0.0256 78 LEU L CD2 5024 N N . GLU C 77 ? 0.6333 0.5458 0.5003 0.1348 -0.0309 0.0641 79 GLU L N 5025 C CA . GLU C 77 ? 0.7962 0.6522 0.6132 0.1529 -0.0109 0.0768 79 GLU L CA 5026 C C . GLU C 77 ? 0.8237 0.6243 0.6203 0.1251 0.0034 0.0704 79 GLU L C 5027 O O . GLU C 77 ? 0.7255 0.5410 0.5505 0.0980 -0.0038 0.0585 79 GLU L O 5028 C CB . GLU C 77 ? 0.9350 0.7843 0.7370 0.1824 -0.0010 0.0895 79 GLU L CB 5029 C CG . GLU C 77 ? 0.9449 0.8631 0.7672 0.2108 -0.0143 0.0964 79 GLU L CG 5030 C CD . GLU C 77 ? 0.9922 0.9092 0.8009 0.2422 -0.0034 0.1099 79 GLU L CD 5031 O OE1 . GLU C 77 ? 1.0548 0.9105 0.8385 0.2392 0.0146 0.1124 79 GLU L OE1 5032 O OE2 . GLU C 77 ? 1.0017 0.9825 0.8234 0.2694 -0.0121 0.1175 79 GLU L OE2 5033 N N . SER C 78 ? 0.7266 0.4645 0.4706 0.1319 0.0255 0.0783 80 SER L N 5034 C CA . SER C 78 ? 0.7780 0.4650 0.4955 0.1004 0.0422 0.0704 80 SER L CA 5035 C C . SER C 78 ? 0.7253 0.4101 0.4580 0.0810 0.0446 0.0627 80 SER L C 5036 O O . SER C 78 ? 0.8644 0.5560 0.6091 0.0482 0.0435 0.0506 80 SER L O 5037 C CB . SER C 78 ? 0.8014 0.4105 0.4497 0.1115 0.0710 0.0803 80 SER L CB 5038 O OG . SER C 78 ? 1.0721 0.6812 0.7032 0.1281 0.0700 0.0875 80 SER L OG 5039 N N . GLY C 79 ? 0.6544 0.3357 0.3866 0.1032 0.0478 0.0705 81 GLY L N 5040 C CA . GLY C 79 ? 0.6335 0.3103 0.3769 0.0880 0.0512 0.0645 81 GLY L CA 5041 C C . GLY C 79 ? 0.6457 0.3860 0.4486 0.0728 0.0284 0.0547 81 GLY L C 5042 O O . GLY C 79 ? 0.7489 0.4915 0.5642 0.0599 0.0296 0.0496 81 GLY L O 5043 N N . ASP C 80 ? 0.6257 0.4132 0.4608 0.0747 0.0098 0.0521 82 ASP L N 5044 C CA . ASP C 80 ? 0.5946 0.4321 0.4777 0.0626 -0.0079 0.0436 82 ASP L CA 5045 C C . ASP C 80 ? 0.6213 0.4649 0.5124 0.0352 -0.0095 0.0337 82 ASP L C 5046 O O . ASP C 80 ? 0.5451 0.4161 0.4650 0.0250 -0.0173 0.0280 82 ASP L O 5047 C CB . ASP C 80 ? 0.5865 0.4692 0.4955 0.0760 -0.0243 0.0440 82 ASP L CB 5048 C CG . ASP C 80 ? 0.6482 0.5477 0.5564 0.1035 -0.0253 0.0533 82 ASP L CG 5049 O OD1 . ASP C 80 ? 0.6539 0.5356 0.5524 0.1130 -0.0158 0.0589 82 ASP L OD1 5050 O OD2 . ASP C 80 ? 0.6261 0.5617 0.5429 0.1160 -0.0354 0.0549 82 ASP L OD2 5051 N N . PHE C 81 ? 0.5887 0.4093 0.4522 0.0251 -0.0009 0.0326 83 PHE L N 5052 C CA . PHE C 81 ? 0.6287 0.4675 0.5001 0.0017 -0.0027 0.0240 83 PHE L CA 5053 C C . PHE C 81 ? 0.6782 0.5139 0.5444 -0.0211 0.0064 0.0179 83 PHE L C 5054 O O . PHE C 81 ? 0.6941 0.4913 0.5317 -0.0260 0.0210 0.0188 83 PHE L O 5055 C CB . PHE C 81 ? 0.6503 0.4706 0.4936 -0.0039 0.0044 0.0241 83 PHE L CB 5056 C CG . PHE C 81 ? 0.6469 0.4814 0.4983 0.0156 -0.0067 0.0284 83 PHE L CG 5057 C CD1 . PHE C 81 ? 0.6094 0.4227 0.4405 0.0391 -0.0035 0.0378 83 PHE L CD1 5058 C CD2 . PHE C 81 ? 0.5587 0.4295 0.4351 0.0120 -0.0191 0.0233 83 PHE L CD2 5059 C CE1 . PHE C 81 ? 0.6334 0.4689 0.4719 0.0555 -0.0144 0.0408 83 PHE L CE1 5060 C CE2 . PHE C 81 ? 0.6119 0.4954 0.4929 0.0264 -0.0284 0.0252 83 PHE L CE2 5061 C CZ . PHE C 81 ? 0.6081 0.4776 0.4716 0.0465 -0.0271 0.0333 83 PHE L CZ 5062 N N . GLY C 82 ? 0.5774 0.4545 0.4680 -0.0335 -0.0011 0.0121 84 GLY L N 5063 C CA . GLY C 82 ? 0.5637 0.4561 0.4550 -0.0537 0.0044 0.0062 84 GLY L CA 5064 C C . GLY C 82 ? 0.5842 0.5265 0.5118 -0.0482 -0.0080 0.0057 84 GLY L C 5065 O O . GLY C 82 ? 0.5041 0.4644 0.4490 -0.0350 -0.0174 0.0078 84 GLY L O 5066 N N . VAL C 83 ? 0.5243 0.4853 0.4589 -0.0571 -0.0060 0.0033 85 VAL L N 5067 C CA . VAL C 83 ? 0.4489 0.4528 0.4116 -0.0474 -0.0146 0.0052 85 VAL L CA 5068 C C . VAL C 83 ? 0.4829 0.4759 0.4620 -0.0335 -0.0183 0.0091 85 VAL L C 5069 O O . VAL C 83 ? 0.5014 0.4731 0.4716 -0.0392 -0.0127 0.0083 85 VAL L O 5070 C CB . VAL C 83 ? 0.4892 0.5391 0.4495 -0.0650 -0.0104 0.0008 85 VAL L CB 5071 C CG1 . VAL C 83 ? 0.8658 0.9002 0.8057 -0.0881 0.0000 -0.0055 85 VAL L CG1 5072 C CG2 . VAL C 83 ? 0.4032 0.4941 0.3870 -0.0475 -0.0166 0.0061 85 VAL L CG2 5073 N N . TYR C 84 ? 0.4132 0.4172 0.4125 -0.0166 -0.0255 0.0126 86 TYR L N 5074 C CA . TYR C 84 ? 0.4130 0.4078 0.4272 -0.0061 -0.0278 0.0152 86 TYR L CA 5075 C C . TYR C 84 ? 0.4208 0.4403 0.4457 0.0004 -0.0268 0.0181 86 TYR L C 5076 O O . TYR C 84 ? 0.4213 0.4623 0.4465 0.0076 -0.0266 0.0202 86 TYR L O 5077 C CB . TYR C 84 ? 0.3642 0.3449 0.3866 0.0047 -0.0334 0.0155 86 TYR L CB 5078 C CG . TYR C 84 ? 0.4074 0.3682 0.4204 0.0054 -0.0343 0.0156 86 TYR L CG 5079 C CD1 . TYR C 84 ? 0.4566 0.4101 0.4540 0.0034 -0.0339 0.0151 86 TYR L CD1 5080 C CD2 . TYR C 84 ? 0.4152 0.3660 0.4324 0.0111 -0.0340 0.0176 86 TYR L CD2 5081 C CE1 . TYR C 84 ? 0.4637 0.3969 0.4470 0.0094 -0.0325 0.0178 86 TYR L CE1 5082 C CE2 . TYR C 84 ? 0.4925 0.4291 0.4976 0.0187 -0.0331 0.0206 86 TYR L CE2 5083 C CZ . TYR C 84 ? 0.5210 0.4470 0.5077 0.0190 -0.0319 0.0212 86 TYR L CZ 5084 O OH . TYR C 84 ? 0.5090 0.4188 0.4785 0.0318 -0.0289 0.0266 86 TYR L OH 5085 N N . TYR C 85 ? 0.3833 0.3989 0.4141 0.0009 -0.0248 0.0194 87 TYR L N 5086 C CA . TYR C 85 ? 0.3637 0.3991 0.4009 0.0101 -0.0222 0.0239 87 TYR L CA 5087 C C . TYR C 85 ? 0.3497 0.3630 0.3968 0.0185 -0.0210 0.0259 87 TYR L C 5088 O O . TYR C 85 ? 0.3763 0.3723 0.4275 0.0133 -0.0220 0.0237 87 TYR L O 5089 C CB . TYR C 85 ? 0.3258 0.3874 0.3575 -0.0006 -0.0189 0.0230 87 TYR L CB 5090 C CG . TYR C 85 ? 0.3208 0.4109 0.3402 -0.0168 -0.0177 0.0183 87 TYR L CG 5091 C CD1 . TYR C 85 ? 0.3015 0.4382 0.3212 -0.0104 -0.0179 0.0212 87 TYR L CD1 5092 C CD2 . TYR C 85 ? 0.3644 0.4349 0.3678 -0.0384 -0.0138 0.0111 87 TYR L CD2 5093 C CE1 . TYR C 85 ? 0.4158 0.5876 0.4249 -0.0291 -0.0162 0.0154 87 TYR L CE1 5094 C CE2 . TYR C 85 ? 0.4129 0.5065 0.4003 -0.0593 -0.0097 0.0046 87 TYR L CE2 5095 C CZ . TYR C 85 ? 0.4332 0.5822 0.4260 -0.0566 -0.0120 0.0060 87 TYR L CZ 5096 O OH . TYR C 85 ? 0.5772 0.7579 0.5550 -0.0811 -0.0075 -0.0018 87 TYR L OH 5097 N N . CYS C 86 ? 0.2964 0.3094 0.3435 0.0320 -0.0166 0.0304 88 CYS L N 5098 C CA . CYS C 86 ? 0.2984 0.2902 0.3499 0.0365 -0.0117 0.0318 88 CYS L CA 5099 C C . CYS C 86 ? 0.3794 0.3879 0.4298 0.0420 -0.0071 0.0376 88 CYS L C 5100 O O . CYS C 86 ? 0.4111 0.4528 0.4562 0.0460 -0.0070 0.0412 88 CYS L O 5101 C CB . CYS C 86 ? 0.3293 0.2975 0.3720 0.0463 -0.0045 0.0328 88 CYS L CB 5102 S SG . CYS C 86 ? 0.4953 0.4768 0.5199 0.0698 0.0047 0.0429 88 CYS L SG 5103 N N . GLN C 87 ? 0.4195 0.4114 0.4748 0.0413 -0.0033 0.0382 89 GLN L N 5104 C CA . GLN C 87 ? 0.3825 0.3897 0.4362 0.0463 0.0010 0.0436 89 GLN L CA 5105 C C . GLN C 87 ? 0.3684 0.3495 0.4215 0.0523 0.0098 0.0468 89 GLN L C 5106 O O . GLN C 87 ? 0.3606 0.3190 0.4215 0.0427 0.0099 0.0413 89 GLN L O 5107 C CB . GLN C 87 ? 0.3806 0.4006 0.4386 0.0310 -0.0038 0.0390 89 GLN L CB 5108 C CG . GLN C 87 ? 0.3909 0.4285 0.4463 0.0328 0.0002 0.0427 89 GLN L CG 5109 C CD . GLN C 87 ? 0.4923 0.5136 0.5518 0.0212 0.0007 0.0384 89 GLN L CD 5110 O OE1 . GLN C 87 ? 0.4889 0.4862 0.5547 0.0171 -0.0011 0.0349 89 GLN L OE1 5111 N NE2 . GLN C 87 ? 0.4602 0.4985 0.5143 0.0177 0.0036 0.0392 89 GLN L NE2 5112 N N . GLN C 88 ? 0.3350 0.3240 0.3773 0.0683 0.0182 0.0559 90 GLN L N 5113 C CA . GLN C 88 ? 0.3863 0.3508 0.4235 0.0739 0.0289 0.0601 90 GLN L CA 5114 C C . GLN C 88 ? 0.3710 0.3662 0.4053 0.0827 0.0302 0.0674 90 GLN L C 5115 O O . GLN C 88 ? 0.4470 0.4730 0.4699 0.1003 0.0324 0.0759 90 GLN L O 5116 C CB . GLN C 88 ? 0.4587 0.3861 0.4739 0.0897 0.0443 0.0659 90 GLN L CB 5117 C CG . GLN C 88 ? 0.6406 0.5282 0.6551 0.0741 0.0478 0.0560 90 GLN L CG 5118 C CD . GLN C 88 ? 0.7356 0.5727 0.7187 0.0852 0.0692 0.0603 90 GLN L CD 5119 O OE1 . GLN C 88 ? 0.7052 0.5353 0.6649 0.1093 0.0786 0.0701 90 GLN L OE1 5120 N NE2 . GLN C 88 ? 0.7392 0.5402 0.7178 0.0681 0.0794 0.0532 90 GLN L NE2 5121 N N . TYR C 89 ? 0.4232 0.4151 0.4668 0.0716 0.0292 0.0643 91 TYR L N 5122 C CA . TYR C 89 ? 0.4142 0.4370 0.4551 0.0749 0.0293 0.0686 91 TYR L CA 5123 C C . TYR C 89 ? 0.3165 0.3882 0.3564 0.0691 0.0205 0.0659 91 TYR L C 5124 O O . TYR C 89 ? 0.3327 0.4046 0.3791 0.0512 0.0130 0.0566 91 TYR L O 5125 C CB . TYR C 89 ? 0.4022 0.4209 0.4257 0.0997 0.0423 0.0817 91 TYR L CB 5126 C CG . TYR C 89 ? 0.4321 0.4005 0.4518 0.0994 0.0542 0.0827 91 TYR L CG 5127 C CD1 . TYR C 89 ? 0.5002 0.4555 0.5363 0.0792 0.0509 0.0741 91 TYR L CD1 5128 C CD2 . TYR C 89 ? 0.6045 0.5371 0.6001 0.1192 0.0713 0.0923 91 TYR L CD2 5129 C CE1 . TYR C 89 ? 0.4897 0.4074 0.5232 0.0752 0.0623 0.0737 91 TYR L CE1 5130 C CE2 . TYR C 89 ? 0.5578 0.4415 0.5455 0.1130 0.0852 0.0911 91 TYR L CE2 5131 C CZ . TYR C 89 ? 0.5210 0.4024 0.5302 0.0891 0.0795 0.0811 91 TYR L CZ 5132 O OH . TYR C 89 ? 0.6552 0.4965 0.6577 0.0795 0.0936 0.0786 91 TYR L OH 5133 N N . GLU C 90 ? 0.3893 0.5047 0.4188 0.0843 0.0229 0.0742 96 GLU L N 5134 C CA . GLU C 90 ? 0.3727 0.5470 0.4005 0.0739 0.0156 0.0699 96 GLU L CA 5135 C C . GLU C 90 ? 0.4339 0.6279 0.4595 0.0824 0.0132 0.0718 96 GLU L C 5136 O O . GLU C 90 ? 0.4015 0.6498 0.4256 0.0726 0.0080 0.0678 96 GLU L O 5137 C CB . GLU C 90 ? 0.3676 0.5983 0.3864 0.0850 0.0181 0.0771 96 GLU L CB 5138 C CG . GLU C 90 ? 0.3529 0.6060 0.3586 0.1242 0.0261 0.0947 96 GLU L CG 5139 C CD . GLU C 90 ? 0.3530 0.5719 0.3484 0.1462 0.0378 0.1063 96 GLU L CD 5140 O OE1 . GLU C 90 ? 0.4044 0.5594 0.4050 0.1363 0.0415 0.1020 96 GLU L OE1 5141 O OE2 . GLU C 90 ? 0.3974 0.6570 0.3781 0.1737 0.0440 0.1201 96 GLU L OE2 5142 N N . PHE C 91 ? 0.3397 0.4904 0.3630 0.0980 0.0181 0.0767 97 PHE L N 5143 C CA . PHE C 91 ? 0.3372 0.5017 0.3548 0.1111 0.0182 0.0803 97 PHE L CA 5144 C C . PHE C 91 ? 0.3088 0.4454 0.3357 0.0902 0.0110 0.0688 97 PHE L C 5145 O O . PHE C 91 ? 0.3485 0.4375 0.3827 0.0780 0.0101 0.0625 97 PHE L O 5146 C CB . PHE C 91 ? 0.3357 0.4675 0.3350 0.1448 0.0324 0.0939 97 PHE L CB 5147 C CG . PHE C 91 ? 0.4741 0.6271 0.4587 0.1713 0.0422 0.1081 97 PHE L CG 5148 C CD1 . PHE C 91 ? 0.4717 0.6936 0.4462 0.1963 0.0436 0.1197 97 PHE L CD1 5149 C CD2 . PHE C 91 ? 0.4660 0.5760 0.4463 0.1721 0.0504 0.1104 97 PHE L CD2 5150 C CE1 . PHE C 91 ? 0.5454 0.7925 0.5043 0.2249 0.0529 0.1345 97 PHE L CE1 5151 C CE2 . PHE C 91 ? 0.5578 0.6851 0.5216 0.1983 0.0605 0.1245 97 PHE L CE2 5152 C CZ . PHE C 91 ? 0.4997 0.6956 0.4522 0.2262 0.0616 0.1372 97 PHE L CZ 5153 N N . PHE C 92 ? 0.4102 0.5826 0.4363 0.0870 0.0061 0.0665 98 PHE L N 5154 C CA . PHE C 92 ? 0.3545 0.5045 0.3860 0.0699 0.0000 0.0571 98 PHE L CA 5155 C C . PHE C 92 ? 0.4074 0.5631 0.4314 0.0879 0.0025 0.0623 98 PHE L C 5156 O O . PHE C 92 ? 0.3499 0.5490 0.3652 0.1096 0.0070 0.0719 98 PHE L O 5157 C CB . PHE C 92 ? 0.3738 0.5532 0.4073 0.0410 -0.0067 0.0464 98 PHE L CB 5158 C CG . PHE C 92 ? 0.4328 0.5921 0.4680 0.0213 -0.0070 0.0395 98 PHE L CG 5159 C CD1 . PHE C 92 ? 0.5235 0.7107 0.5561 0.0204 -0.0044 0.0413 98 PHE L CD1 5160 C CD2 . PHE C 92 ? 0.2920 0.4063 0.3285 0.0061 -0.0088 0.0320 98 PHE L CD2 5161 C CE1 . PHE C 92 ? 0.4271 0.5919 0.4579 0.0028 -0.0030 0.0348 98 PHE L CE1 5162 C CE2 . PHE C 92 ? 0.4643 0.5575 0.4979 -0.0076 -0.0065 0.0272 98 PHE L CE2 5163 C CZ . PHE C 92 ? 0.4443 0.5601 0.4748 -0.0103 -0.0033 0.0280 98 PHE L CZ 5164 N N . GLY C 93 ? 0.3429 0.4590 0.3688 0.0808 0.0002 0.0564 99 GLY L N 5165 C CA . GLY C 93 ? 0.4085 0.5273 0.4261 0.0935 0.0022 0.0590 99 GLY L CA 5166 C C . GLY C 93 ? 0.4416 0.6140 0.4618 0.0820 -0.0043 0.0553 99 GLY L C 5167 O O . GLY C 93 ? 0.3889 0.5871 0.4143 0.0592 -0.0094 0.0485 99 GLY L O 5168 N N . GLN C 94 ? 0.3612 0.5477 0.3741 0.0959 -0.0021 0.0590 100 GLN L N 5169 C CA . GLN C 94 ? 0.4502 0.6931 0.4641 0.0851 -0.0065 0.0557 100 GLN L CA 5170 C C . GLN C 94 ? 0.5141 0.7346 0.5322 0.0532 -0.0136 0.0426 100 GLN L C 5171 O O . GLN C 94 ? 0.4462 0.7060 0.4625 0.0333 -0.0158 0.0365 100 GLN L O 5172 C CB . GLN C 94 ? 0.5371 0.7990 0.5406 0.1127 -0.0007 0.0644 100 GLN L CB 5173 C CG . GLN C 94 ? 0.7274 1.0123 0.7184 0.1522 0.0103 0.0806 100 GLN L CG 5174 C CD . GLN C 94 ? 0.8420 1.0490 0.8168 0.1745 0.0220 0.0867 100 GLN L CD 5175 O OE1 . GLN C 94 ? 0.6437 0.7920 0.6232 0.1564 0.0199 0.0785 100 GLN L OE1 5176 N NE2 . GLN C 94 ? 0.9395 1.1462 0.8913 0.2139 0.0364 0.1011 100 GLN L NE2 5177 N N . GLY C 95 ? 0.3984 0.5575 0.4188 0.0486 -0.0156 0.0386 101 GLY L N 5178 C CA . GLY C 95 ? 0.3866 0.5205 0.4067 0.0259 -0.0205 0.0294 101 GLY L CA 5179 C C . GLY C 95 ? 0.4391 0.5555 0.4549 0.0308 -0.0221 0.0281 101 GLY L C 5180 O O . GLY C 95 ? 0.4443 0.5826 0.4555 0.0463 -0.0191 0.0329 101 GLY L O 5181 N N . THR C 96 ? 0.3787 0.4576 0.3942 0.0198 -0.0261 0.0225 102 THR L N 5182 C CA . THR C 96 ? 0.3564 0.4194 0.3665 0.0213 -0.0285 0.0202 102 THR L CA 5183 C C . THR C 96 ? 0.4062 0.4618 0.4076 0.0027 -0.0301 0.0151 102 THR L C 5184 O O . THR C 96 ? 0.4453 0.4748 0.4448 -0.0046 -0.0308 0.0132 102 THR L O 5185 C CB . THR C 96 ? 0.3383 0.3635 0.3516 0.0284 -0.0305 0.0186 102 THR L CB 5186 O OG1 . THR C 96 ? 0.4027 0.4223 0.4144 0.0443 -0.0241 0.0227 102 THR L OG1 5187 C CG2 . THR C 96 ? 0.3561 0.3687 0.3625 0.0268 -0.0340 0.0149 102 THR L CG2 5188 N N . LYS C 97 ? 0.4172 0.4939 0.4097 -0.0034 -0.0285 0.0137 103 LYS L N 5189 C CA . LYS C 97 ? 0.3917 0.4532 0.3684 -0.0218 -0.0262 0.0090 103 LYS L CA 5190 C C . LYS C 97 ? 0.4627 0.4917 0.4346 -0.0142 -0.0302 0.0091 103 LYS L C 5191 O O . LYS C 97 ? 0.5035 0.5401 0.4769 -0.0046 -0.0325 0.0098 103 LYS L O 5192 C CB . LYS C 97 ? 0.4348 0.5361 0.4018 -0.0368 -0.0211 0.0059 103 LYS L CB 5193 C CG . LYS C 97 ? 0.5478 0.6249 0.4905 -0.0606 -0.0140 0.0001 103 LYS L CG 5194 C CD . LYS C 97 ? 0.6359 0.7576 0.5681 -0.0813 -0.0075 -0.0052 103 LYS L CD 5195 C CE . LYS C 97 ? 0.8129 0.8978 0.7129 -0.1082 0.0039 -0.0119 103 LYS L CE 5196 N NZ . LYS C 97 ? 0.8708 1.0012 0.7591 -0.1336 0.0115 -0.0190 103 LYS L NZ 5197 N N . VAL C 98 ? 0.4416 0.4365 0.4057 -0.0164 -0.0300 0.0090 104 VAL L N 5198 C CA . VAL C 98 ? 0.4995 0.4715 0.4563 -0.0083 -0.0336 0.0099 104 VAL L CA 5199 C C . VAL C 98 ? 0.6039 0.5556 0.5330 -0.0193 -0.0255 0.0096 104 VAL L C 5200 O O . VAL C 98 ? 0.6150 0.5412 0.5263 -0.0271 -0.0169 0.0101 104 VAL L O 5201 C CB . VAL C 98 ? 0.5206 0.4757 0.4851 0.0024 -0.0380 0.0121 104 VAL L CB 5202 C CG1 . VAL C 98 ? 0.4151 0.3615 0.3731 0.0123 -0.0430 0.0131 104 VAL L CG1 5203 C CG2 . VAL C 98 ? 0.4484 0.4174 0.4354 0.0080 -0.0424 0.0111 104 VAL L CG2 5204 N N . GLN C 99 ? 0.5331 0.4909 0.4543 -0.0202 -0.0258 0.0087 105 GLN L N 5205 C CA . GLN C 99 ? 0.5715 0.5082 0.4623 -0.0333 -0.0153 0.0079 105 GLN L CA 5206 C C . GLN C 99 ? 0.5661 0.4826 0.4444 -0.0199 -0.0181 0.0115 105 GLN L C 5207 O O . GLN C 99 ? 0.5206 0.4526 0.4159 -0.0062 -0.0289 0.0117 105 GLN L O 5208 C CB . GLN C 99 ? 0.5616 0.5320 0.4499 -0.0518 -0.0102 0.0029 105 GLN L CB 5209 C CG . GLN C 99 ? 0.5839 0.5907 0.4917 -0.0393 -0.0186 0.0034 105 GLN L CG 5210 C CD . GLN C 99 ? 0.6428 0.6947 0.5490 -0.0537 -0.0132 0.0001 105 GLN L CD 5211 O OE1 . GLN C 99 ? 0.7690 0.8356 0.6652 -0.0768 -0.0047 -0.0046 105 GLN L OE1 5212 N NE2 . GLN C 99 ? 0.6168 0.6941 0.5309 -0.0410 -0.0169 0.0017 105 GLN L NE2 5213 N N . VAL C 100 ? 0.5120 0.3914 0.3561 -0.0246 -0.0063 0.0140 106 VAL L N 5214 C CA . VAL C 100 ? 0.5706 0.4303 0.3977 -0.0086 -0.0075 0.0194 106 VAL L CA 5215 C C . VAL C 100 ? 0.5980 0.4777 0.4259 -0.0135 -0.0103 0.0162 106 VAL L C 5216 O O . VAL C 100 ? 0.6462 0.5354 0.4656 -0.0337 -0.0022 0.0115 106 VAL L O 5217 C CB . VAL C 100 ? 0.7397 0.5441 0.5209 -0.0076 0.0105 0.0255 106 VAL L CB 5218 C CG1 . VAL C 100 ? 0.9185 0.7024 0.6702 -0.0386 0.0288 0.0192 106 VAL L CG1 5219 C CG2 . VAL C 100 ? 0.7755 0.5641 0.5369 0.0140 0.0096 0.0334 106 VAL L CG2 5220 N N . ASP C 101 ? 0.5581 0.4493 0.3961 0.0038 -0.0217 0.0179 107 ASP L N 5221 C CA . ASP C 101 ? 0.5711 0.4770 0.4071 0.0027 -0.0242 0.0153 107 ASP L CA 5222 C C . ASP C 101 ? 0.6157 0.5021 0.4293 0.0175 -0.0248 0.0209 107 ASP L C 5223 O O . ASP C 101 ? 0.6420 0.5304 0.4604 0.0348 -0.0327 0.0245 107 ASP L O 5224 C CB . ASP C 101 ? 0.5857 0.5253 0.4519 0.0081 -0.0358 0.0104 107 ASP L CB 5225 C CG . ASP C 101 ? 0.6315 0.5827 0.4927 0.0100 -0.0372 0.0079 107 ASP L CG 5226 O OD1 . ASP C 101 ? 0.6083 0.5775 0.4694 0.0009 -0.0314 0.0061 107 ASP L OD1 5227 O OD2 . ASP C 101 ? 0.5607 0.5081 0.4176 0.0207 -0.0438 0.0077 107 ASP L OD2 5228 N N . ILE C 102 ? 0.5876 0.4601 0.3758 0.0109 -0.0158 0.0217 108 ILE L N 5229 C CA . ILE C 102 ? 0.5703 0.4262 0.3341 0.0266 -0.0155 0.0278 108 ILE L CA 5230 C C . ILE C 102 ? 0.6469 0.5340 0.4268 0.0309 -0.0275 0.0227 108 ILE L C 5231 O O . ILE C 102 ? 0.6429 0.5467 0.4310 0.0185 -0.0261 0.0170 108 ILE L O 5232 C CB . ILE C 102 ? 0.6729 0.4866 0.3925 0.0170 0.0042 0.0321 108 ILE L CB 5233 C CG1 . ILE C 102 ? 0.7847 0.5546 0.4784 0.0150 0.0197 0.0372 108 ILE L CG1 5234 C CG2 . ILE C 102 ? 0.7228 0.5224 0.4160 0.0356 0.0048 0.0393 108 ILE L CG2 5235 C CD1 . ILE C 102 ? 0.9962 0.7237 0.6483 -0.0109 0.0439 0.0351 108 ILE L CD1 5236 N N . LYS C 103 ? 0.5526 0.4507 0.3350 0.0485 -0.0384 0.0245 109 LYS L N 5237 C CA . LYS C 103 ? 0.7056 0.6304 0.5009 0.0503 -0.0492 0.0172 109 LYS L CA 5238 C C . LYS C 103 ? 0.6547 0.5715 0.4260 0.0504 -0.0441 0.0185 109 LYS L C 5239 O O . LYS C 103 ? 0.7009 0.5931 0.4420 0.0572 -0.0356 0.0271 109 LYS L O 5240 C CB . LYS C 103 ? 0.8611 0.8079 0.6650 0.0635 -0.0619 0.0162 109 LYS L CB 5241 C CG . LYS C 103 ? 1.0141 0.9857 0.8345 0.0572 -0.0714 0.0040 109 LYS L CG 5242 C CD . LYS C 103 ? 1.0102 0.9867 0.8563 0.0471 -0.0725 -0.0030 109 LYS L CD 5243 C CE . LYS C 103 ? 0.9090 0.8971 0.7684 0.0511 -0.0778 -0.0011 109 LYS L CE 5244 N NZ . LYS C 103 ? 0.7555 0.7451 0.6372 0.0410 -0.0775 -0.0077 109 LYS L NZ 5245 N N . ARG C 104 ? 0.6553 0.5888 0.4365 0.0444 -0.0472 0.0107 110 ARG L N 5246 C CA . ARG C 104 ? 0.6669 0.5979 0.4281 0.0450 -0.0436 0.0107 110 ARG L CA 5247 C C . ARG C 104 ? 0.7003 0.6505 0.4738 0.0447 -0.0499 0.0010 110 ARG L C 5248 O O . ARG C 104 ? 0.6933 0.6528 0.4870 0.0430 -0.0545 -0.0051 110 ARG L O 5249 C CB . ARG C 104 ? 0.6481 0.5676 0.3956 0.0314 -0.0291 0.0133 110 ARG L CB 5250 C CG . ARG C 104 ? 0.6317 0.5734 0.4022 0.0191 -0.0261 0.0082 110 ARG L CG 5251 C CD . ARG C 104 ? 0.6607 0.6150 0.4208 0.0073 -0.0154 0.0071 110 ARG L CD 5252 N NE . ARG C 104 ? 0.6802 0.6413 0.4333 0.0166 -0.0183 0.0050 110 ARG L NE 5253 C CZ . ARG C 104 ? 0.6496 0.6132 0.3842 0.0106 -0.0096 0.0058 110 ARG L CZ 5254 N NH1 . ARG C 104 ? 0.6338 0.5934 0.3533 -0.0080 0.0036 0.0075 110 ARG L NH1 5255 N NH2 . ARG C 104 ? 0.6499 0.6184 0.3780 0.0205 -0.0126 0.0036 110 ARG L NH2 5256 N N . THR C 105 ? 0.7022 0.6526 0.4591 0.0464 -0.0476 -0.0003 111 THR L N 5257 C CA . THR C 105 ? 0.7134 0.6734 0.4739 0.0469 -0.0498 -0.0095 111 THR L CA 5258 C C . THR C 105 ? 0.6753 0.6424 0.4502 0.0436 -0.0421 -0.0112 111 THR L C 5259 O O . THR C 105 ? 0.5911 0.5649 0.3705 0.0380 -0.0351 -0.0059 111 THR L O 5260 C CB . THR C 105 ? 0.6425 0.6007 0.3797 0.0503 -0.0474 -0.0099 111 THR L CB 5261 O OG1 . THR C 105 ? 0.7969 0.7518 0.5245 0.0456 -0.0363 -0.0035 111 THR L OG1 5262 C CG2 . THR C 105 ? 0.6571 0.6153 0.3776 0.0580 -0.0551 -0.0071 111 THR L CG2 5263 N N . VAL C 106 ? 0.6689 0.6543 0.4886 -0.0232 0.0019 0.0586 112 VAL L N 5264 C CA . VAL C 106 ? 0.6554 0.6115 0.4699 -0.0282 0.0016 0.0499 112 VAL L CA 5265 C C . VAL C 106 ? 0.6241 0.5689 0.4342 -0.0196 0.0058 0.0483 112 VAL L C 5266 O O . VAL C 106 ? 0.5860 0.5465 0.3890 -0.0146 0.0057 0.0491 112 VAL L O 5267 C CB . VAL C 106 ? 0.6912 0.6393 0.4979 -0.0418 -0.0090 0.0396 112 VAL L CB 5268 C CG1 . VAL C 106 ? 0.6651 0.5804 0.4667 -0.0444 -0.0112 0.0316 112 VAL L CG1 5269 C CG2 . VAL C 106 ? 0.6035 0.5669 0.4190 -0.0536 -0.0123 0.0453 112 VAL L CG2 5270 N N . ALA C 107 ? 0.5602 0.4832 0.3750 -0.0176 0.0096 0.0471 113 ALA L N 5271 C CA . ALA C 107 ? 0.5811 0.4969 0.3962 -0.0109 0.0138 0.0465 113 ALA L CA 5272 C C . ALA C 107 ? 0.6140 0.5036 0.4266 -0.0134 0.0112 0.0359 113 ALA L C 5273 O O . ALA C 107 ? 0.6484 0.5238 0.4666 -0.0157 0.0111 0.0364 113 ALA L O 5274 C CB . ALA C 107 ? 0.6107 0.5300 0.4422 -0.0038 0.0203 0.0603 113 ALA L CB 5275 N N . ALA C 108 ? 0.5366 0.4224 0.3402 -0.0112 0.0082 0.0254 114 ALA L N 5276 C CA . ALA C 108 ? 0.5671 0.4279 0.3694 -0.0113 0.0040 0.0152 114 ALA L CA 5277 C C . ALA C 108 ? 0.5678 0.4246 0.3830 -0.0055 0.0107 0.0204 114 ALA L C 5278 O O . ALA C 108 ? 0.5361 0.4106 0.3605 -0.0006 0.0182 0.0299 114 ALA L O 5279 C CB . ALA C 108 ? 0.6262 0.4857 0.4174 -0.0066 -0.0025 -0.0005 114 ALA L CB 5280 N N . PRO C 109 ? 0.5790 0.4134 0.3967 -0.0069 0.0068 0.0158 115 PRO L N 5281 C CA . PRO C 109 ? 0.6082 0.4395 0.4404 -0.0020 0.0108 0.0188 115 PRO L CA 5282 C C . PRO C 109 ? 0.6527 0.4928 0.4889 0.0055 0.0132 0.0136 115 PRO L C 5283 O O . PRO C 109 ? 0.5678 0.4044 0.3927 0.0089 0.0083 0.0017 115 PRO L O 5284 C CB . PRO C 109 ? 0.5923 0.4009 0.4220 -0.0052 0.0042 0.0144 115 PRO L CB 5285 C CG . PRO C 109 ? 0.6212 0.4176 0.4361 -0.0105 -0.0039 0.0085 115 PRO L CG 5286 C CD . PRO C 109 ? 0.5653 0.3780 0.3744 -0.0141 -0.0024 0.0107 115 PRO L CD 5287 N N . SER C 110 ? 0.6652 0.5180 0.5193 0.0083 0.0197 0.0223 116 SER L N 5288 C CA . SER C 110 ? 0.6469 0.5122 0.5097 0.0151 0.0225 0.0184 116 SER L CA 5289 C C . SER C 110 ? 0.6181 0.4612 0.4888 0.0157 0.0157 0.0109 116 SER L C 5290 O O . SER C 110 ? 0.6474 0.4790 0.5293 0.0114 0.0135 0.0157 116 SER L O 5291 C CB . SER C 110 ? 0.5263 0.4203 0.4089 0.0151 0.0322 0.0355 116 SER L CB 5292 O OG . SER C 110 ? 0.7755 0.6942 0.6481 0.0161 0.0380 0.0440 116 SER L OG 5293 N N . VAL C 111 ? 0.6213 0.4585 0.4857 0.0226 0.0105 -0.0025 117 VAL L N 5294 C CA . VAL C 111 ? 0.6093 0.4239 0.4774 0.0240 0.0016 -0.0094 117 VAL L CA 5295 C C . VAL C 111 ? 0.6251 0.4560 0.5133 0.0318 0.0034 -0.0120 117 VAL L C 5296 O O . VAL C 111 ? 0.6067 0.4597 0.4966 0.0410 0.0075 -0.0180 117 VAL L O 5297 C CB . VAL C 111 ? 0.6189 0.4081 0.4683 0.0259 -0.0097 -0.0209 117 VAL L CB 5298 C CG1 . VAL C 111 ? 0.5645 0.3300 0.4153 0.0259 -0.0198 -0.0226 117 VAL L CG1 5299 C CG2 . VAL C 111 ? 0.5430 0.3236 0.3763 0.0165 -0.0111 -0.0169 117 VAL L CG2 5300 N N . PHE C 112 ? 0.5905 0.4142 0.4944 0.0288 -0.0003 -0.0089 118 PHE L N 5301 C CA . PHE C 112 ? 0.5575 0.3980 0.4851 0.0341 -0.0005 -0.0105 118 PHE L CA 5302 C C . PHE C 112 ? 0.6464 0.4638 0.5741 0.0366 -0.0134 -0.0187 118 PHE L C 5303 O O . PHE C 112 ? 0.6163 0.4121 0.5342 0.0310 -0.0196 -0.0175 118 PHE L O 5304 C CB . PHE C 112 ? 0.5501 0.4113 0.5058 0.0262 0.0063 0.0042 118 PHE L CB 5305 C CG . PHE C 112 ? 0.6407 0.5252 0.5966 0.0226 0.0182 0.0177 118 PHE L CG 5306 C CD1 . PHE C 112 ? 0.5837 0.4552 0.5293 0.0159 0.0191 0.0251 118 PHE L CD1 5307 C CD2 . PHE C 112 ? 0.6308 0.5552 0.5973 0.0273 0.0284 0.0238 118 PHE L CD2 5308 C CE1 . PHE C 112 ? 0.6564 0.5500 0.6020 0.0134 0.0286 0.0393 118 PHE L CE1 5309 C CE2 . PHE C 112 ? 0.7012 0.6513 0.6656 0.0243 0.0391 0.0389 118 PHE L CE2 5310 C CZ . PHE C 112 ? 0.6265 0.5591 0.5804 0.0172 0.0384 0.0472 118 PHE L CZ 5311 N N . ILE C 113 ? 0.6385 0.4648 0.5769 0.0467 -0.0175 -0.0268 119 ILE L N 5312 C CA . ILE C 113 ? 0.6383 0.4465 0.5785 0.0503 -0.0310 -0.0330 119 ILE L CA 5313 C C . ILE C 113 ? 0.5467 0.3802 0.5202 0.0522 -0.0316 -0.0325 119 ILE L C 5314 O O . ILE C 113 ? 0.5629 0.4294 0.5555 0.0567 -0.0231 -0.0313 119 ILE L O 5315 C CB . ILE C 113 ? 0.5877 0.3760 0.5109 0.0617 -0.0411 -0.0437 119 ILE L CB 5316 C CG1 . ILE C 113 ? 0.6589 0.4263 0.5797 0.0643 -0.0563 -0.0453 119 ILE L CG1 5317 C CG2 . ILE C 113 ? 0.6020 0.4153 0.5371 0.0764 -0.0373 -0.0537 119 ILE L CG2 5318 C CD1 . ILE C 113 ? 0.6504 0.3894 0.5543 0.0731 -0.0694 -0.0509 119 ILE L CD1 5319 N N . PHE C 114 ? 0.5653 0.3876 0.5464 0.0484 -0.0420 -0.0333 120 PHE L N 5320 C CA . PHE C 114 ? 0.5883 0.4328 0.6043 0.0477 -0.0460 -0.0335 120 PHE L CA 5321 C C . PHE C 114 ? 0.6490 0.4840 0.6641 0.0570 -0.0618 -0.0434 120 PHE L C 5322 O O . PHE C 114 ? 0.7434 0.5543 0.7400 0.0558 -0.0726 -0.0462 120 PHE L O 5323 C CB . PHE C 114 ? 0.5065 0.3494 0.5401 0.0344 -0.0473 -0.0273 120 PHE L CB 5324 C CG . PHE C 114 ? 0.5214 0.3752 0.5624 0.0253 -0.0337 -0.0141 120 PHE L CG 5325 C CD1 . PHE C 114 ? 0.5401 0.4282 0.6143 0.0202 -0.0250 -0.0021 120 PHE L CD1 5326 C CD2 . PHE C 114 ? 0.5787 0.4124 0.5948 0.0216 -0.0300 -0.0114 120 PHE L CD2 5327 C CE1 . PHE C 114 ? 0.5183 0.4177 0.5988 0.0117 -0.0134 0.0140 120 PHE L CE1 5328 C CE2 . PHE C 114 ? 0.5647 0.4088 0.5879 0.0144 -0.0191 0.0019 120 PHE L CE2 5329 C CZ . PHE C 114 ? 0.5248 0.4003 0.5793 0.0094 -0.0111 0.0154 120 PHE L CZ 5330 N N . PRO C 115 ? 0.6292 0.4876 0.6641 0.0677 -0.0632 -0.0482 121 PRO L N 5331 C CA . PRO C 115 ? 0.6160 0.4708 0.6563 0.0779 -0.0795 -0.0566 121 PRO L CA 5332 C C . PRO C 115 ? 0.6927 0.5538 0.7553 0.0692 -0.0897 -0.0569 121 PRO L C 5333 O O . PRO C 115 ? 0.6275 0.5008 0.7114 0.0562 -0.0836 -0.0507 121 PRO L O 5334 C CB . PRO C 115 ? 0.6819 0.5707 0.7454 0.0917 -0.0752 -0.0616 121 PRO L CB 5335 C CG . PRO C 115 ? 0.7265 0.6489 0.8083 0.0834 -0.0565 -0.0527 121 PRO L CG 5336 C CD . PRO C 115 ? 0.6889 0.5843 0.7422 0.0726 -0.0493 -0.0460 121 PRO L CD 5337 N N . PRO C 116 ? 0.6288 0.4805 0.6869 0.0767 -0.1071 -0.0640 122 PRO L N 5338 C CA . PRO C 116 ? 0.6129 0.4733 0.6932 0.0704 -0.1202 -0.0685 122 PRO L CA 5339 C C . PRO C 116 ? 0.6323 0.5320 0.7635 0.0650 -0.1171 -0.0665 122 PRO L C 5340 O O . PRO C 116 ? 0.6162 0.5426 0.7637 0.0737 -0.1101 -0.0652 122 PRO L O 5341 C CB . PRO C 116 ? 0.6532 0.5038 0.7183 0.0836 -0.1388 -0.0754 122 PRO L CB 5342 C CG . PRO C 116 ? 0.6031 0.4266 0.6299 0.0919 -0.1360 -0.0710 122 PRO L CG 5343 C CD . PRO C 116 ? 0.6483 0.4798 0.6810 0.0912 -0.1177 -0.0675 122 PRO L CD 5344 N N . SER C 117 ? 0.6023 0.5074 0.7603 0.0509 -0.1228 -0.0664 123 SER L N 5345 C CA . SER C 117 ? 0.6101 0.5535 0.8222 0.0420 -0.1228 -0.0612 123 SER L CA 5346 C C . SER C 117 ? 0.6813 0.6441 0.9135 0.0514 -0.1402 -0.0714 123 SER L C 5347 O O . SER C 117 ? 0.6288 0.5703 0.8359 0.0603 -0.1566 -0.0828 123 SER L O 5348 C CB . SER C 117 ? 0.5548 0.4913 0.7936 0.0227 -0.1278 -0.0577 123 SER L CB 5349 O OG . SER C 117 ? 0.5791 0.4946 0.8120 0.0233 -0.1498 -0.0740 123 SER L OG 5350 N N . ASP C 118 ? 0.7677 0.7758 1.0453 0.0499 -0.1365 -0.0657 124 ASP L N 5351 C CA . ASP C 118 ? 0.7646 0.7986 1.0684 0.0588 -0.1530 -0.0747 124 ASP L CA 5352 C C . ASP C 118 ? 0.7060 0.7293 1.0270 0.0479 -0.1764 -0.0844 124 ASP L C 5353 O O . ASP C 118 ? 0.7543 0.7808 1.0753 0.0582 -0.1959 -0.0966 124 ASP L O 5354 C CB . ASP C 118 ? 0.8674 0.9613 1.2223 0.0575 -0.1423 -0.0651 124 ASP L CB 5355 C CG . ASP C 118 ? 0.9829 1.0935 1.3199 0.0729 -0.1211 -0.0609 124 ASP L CG 5356 O OD1 . ASP C 118 ? 0.8966 0.9753 1.1891 0.0910 -0.1227 -0.0704 124 ASP L OD1 5357 O OD2 . ASP C 118 ? 1.1063 1.2633 1.4744 0.0670 -0.1036 -0.0478 124 ASP L OD2 5358 N N . GLU C 119 ? 0.6384 0.6481 0.9739 0.0285 -0.1761 -0.0801 125 GLU L N 5359 C CA . GLU C 119 ? 0.6092 0.6049 0.9618 0.0186 -0.2002 -0.0934 125 GLU L CA 5360 C C . GLU C 119 ? 0.6105 0.5696 0.9087 0.0326 -0.2139 -0.1111 125 GLU L C 5361 O O . GLU C 119 ? 0.7065 0.6674 1.0085 0.0371 -0.2373 -0.1271 125 GLU L O 5362 C CB . GLU C 119 ? 0.6690 0.6516 1.0482 -0.0032 -0.1977 -0.0852 125 GLU L CB 5363 C CG . GLU C 119 ? 0.8409 0.8098 1.2482 -0.0139 -0.2258 -0.1018 125 GLU L CG 5364 C CD . GLU C 119 ? 0.8480 0.7961 1.2827 -0.0339 -0.2262 -0.0941 125 GLU L CD 5365 O OE1 . GLU C 119 ? 0.8389 0.7706 1.2997 -0.0426 -0.2511 -0.1099 125 GLU L OE1 5366 O OE2 . GLU C 119 ? 0.8722 0.8196 1.3029 -0.0399 -0.2035 -0.0731 125 GLU L OE2 5367 N N . GLN C 120 ? 0.5966 0.5270 0.8446 0.0393 -0.1997 -0.1072 126 GLN L N 5368 C CA . GLN C 120 ? 0.6279 0.5302 0.8232 0.0514 -0.2097 -0.1189 126 GLN L CA 5369 C C . GLN C 120 ? 0.7178 0.6281 0.8932 0.0692 -0.2191 -0.1212 126 GLN L C 5370 O O . GLN C 120 ? 0.7636 0.6670 0.9148 0.0779 -0.2373 -0.1324 126 GLN L O 5371 C CB . GLN C 120 ? 0.5888 0.4633 0.7403 0.0521 -0.1914 -0.1109 126 GLN L CB 5372 C CG . GLN C 120 ? 0.6254 0.4783 0.7245 0.0626 -0.2001 -0.1195 126 GLN L CG 5373 C CD . GLN C 120 ? 0.6624 0.4937 0.7203 0.0632 -0.1821 -0.1091 126 GLN L CD 5374 O OE1 . GLN C 120 ? 0.6020 0.4324 0.6597 0.0617 -0.1651 -0.0959 126 GLN L OE1 5375 N NE2 . GLN C 120 ? 0.5997 0.4175 0.6230 0.0661 -0.1865 -0.1163 126 GLN L NE2 5376 N N . LEU C 121 ? 0.6360 0.5625 0.8214 0.0763 -0.2077 -0.1110 127 LEU L N 5377 C CA . LEU C 121 ? 0.7216 0.6523 0.8917 0.0952 -0.2174 -0.1120 127 LEU L CA 5378 C C . LEU C 121 ? 0.7693 0.7252 0.9681 0.0994 -0.2415 -0.1232 127 LEU L C 5379 O O . LEU C 121 ? 0.8498 0.8049 1.0303 0.1154 -0.2563 -0.1258 127 LEU L O 5380 C CB . LEU C 121 ? 0.7312 0.6769 0.9129 0.1041 -0.2016 -0.1034 127 LEU L CB 5381 C CG . LEU C 121 ? 0.7199 0.6377 0.8644 0.1060 -0.1830 -0.0948 127 LEU L CG 5382 C CD1 . LEU C 121 ? 0.6343 0.5731 0.7952 0.1166 -0.1695 -0.0918 127 LEU L CD1 5383 C CD2 . LEU C 121 ? 0.7619 0.6429 0.8557 0.1155 -0.1927 -0.0932 127 LEU L CD2 5384 N N . LYS C 122 ? 0.8329 0.8108 1.0787 0.0844 -0.2472 -0.1287 128 LYS L N 5385 C CA . LYS C 122 ? 0.9260 0.9281 1.2028 0.0853 -0.2727 -0.1416 128 LYS L CA 5386 C C . LYS C 122 ? 0.9583 0.9379 1.1980 0.0896 -0.2937 -0.1571 128 LYS L C 5387 O O . LYS C 122 ? 1.0453 1.0414 1.2944 0.0962 -0.3179 -0.1695 128 LYS L O 5388 C CB . LYS C 122 ? 0.9230 0.9529 1.2649 0.0645 -0.2746 -0.1417 128 LYS L CB 5389 C CG . LYS C 122 ? 0.9103 0.9780 1.2941 0.0605 -0.2548 -0.1253 128 LYS L CG 5390 C CD . LYS C 122 ? 0.9717 1.0681 1.4217 0.0359 -0.2573 -0.1198 128 LYS L CD 5391 C CE . LYS C 122 ? 1.0453 1.1911 1.5373 0.0324 -0.2362 -0.1009 128 LYS L CE 5392 N NZ . LYS C 122 ? 1.1049 1.2923 1.6136 0.0514 -0.2424 -0.1052 128 LYS L NZ 5393 N N . SER C 123 ? 0.9295 0.8765 1.1269 0.0870 -0.2843 -0.1566 129 SER L N 5394 C CA . SER C 123 ? 0.9419 0.8740 1.1033 0.0916 -0.3011 -0.1725 129 SER L CA 5395 C C . SER C 123 ? 0.8822 0.8042 0.9852 0.1094 -0.3041 -0.1662 129 SER L C 5396 O O . SER C 123 ? 0.9754 0.8967 1.0459 0.1169 -0.3199 -0.1777 129 SER L O 5397 C CB . SER C 123 ? 1.0467 0.9548 1.1972 0.0804 -0.2907 -0.1768 129 SER L CB 5398 O OG . SER C 123 ? 1.1521 1.0658 1.3581 0.0625 -0.2895 -0.1784 129 SER L OG 5399 N N . GLY C 124 ? 0.8030 0.7181 0.8930 0.1162 -0.2898 -0.1475 130 GLY L N 5400 C CA . GLY C 124 ? 0.8838 0.7868 0.9255 0.1311 -0.2946 -0.1365 130 GLY L CA 5401 C C . GLY C 124 ? 0.9012 0.7753 0.8986 0.1286 -0.2759 -0.1218 130 GLY L C 5402 O O . GLY C 124 ? 0.8032 0.6646 0.7631 0.1378 -0.2786 -0.1075 130 GLY L O 5403 N N . THR C 125 ? 0.9062 0.7705 0.9100 0.1154 -0.2581 -0.1235 131 THR L N 5404 C CA . THR C 125 ? 0.9502 0.7909 0.9173 0.1116 -0.2399 -0.1101 131 THR L CA 5405 C C . THR C 125 ? 0.8467 0.6798 0.8363 0.1028 -0.2183 -0.1025 131 THR L C 5406 O O . THR C 125 ? 0.7499 0.5983 0.7827 0.0964 -0.2150 -0.1083 131 THR L O 5407 C CB . THR C 125 ? 0.9855 0.8234 0.9273 0.1068 -0.2391 -0.1196 131 THR L CB 5408 O OG1 . THR C 125 ? 1.1242 0.9696 1.1036 0.0981 -0.2419 -0.1373 131 THR L OG1 5409 C CG2 . THR C 125 ? 1.0233 0.8726 0.9297 0.1182 -0.2578 -0.1243 131 THR L CG2 5410 N N . ALA C 126 ? 0.8232 0.6355 0.7841 0.1021 -0.2044 -0.0884 132 ALA L N 5411 C CA . ALA C 126 ? 0.7606 0.5669 0.7360 0.0959 -0.1847 -0.0821 132 ALA L CA 5412 C C . ALA C 126 ? 0.7786 0.5678 0.7266 0.0866 -0.1697 -0.0755 132 ALA L C 5413 O O . ALA C 126 ? 0.7335 0.5074 0.6447 0.0882 -0.1701 -0.0657 132 ALA L O 5414 C CB . ALA C 126 ? 0.7459 0.5451 0.7211 0.1067 -0.1846 -0.0741 132 ALA L CB 5415 N N . SER C 127 ? 0.6792 0.4732 0.6474 0.0763 -0.1572 -0.0787 133 SER L N 5416 C CA . SER C 127 ? 0.6109 0.3921 0.5585 0.0683 -0.1428 -0.0731 133 SER L CA 5417 C C . SER C 127 ? 0.5993 0.3786 0.5575 0.0642 -0.1258 -0.0646 133 SER L C 5418 O O . SER C 127 ? 0.6660 0.4614 0.6583 0.0609 -0.1201 -0.0658 133 SER L O 5419 C CB . SER C 127 ? 0.6016 0.3875 0.5613 0.0616 -0.1439 -0.0837 133 SER L CB 5420 O OG . SER C 127 ? 0.7282 0.5190 0.6762 0.0677 -0.1610 -0.0962 133 SER L OG 5421 N N . VAL C 128 ? 0.5887 0.3514 0.5182 0.0641 -0.1184 -0.0553 134 VAL L N 5422 C CA . VAL C 128 ? 0.5666 0.3277 0.5006 0.0613 -0.1037 -0.0500 134 VAL L CA 5423 C C . VAL C 128 ? 0.6357 0.3910 0.5554 0.0514 -0.0918 -0.0452 134 VAL L C 5424 O O . VAL C 128 ? 0.6889 0.4335 0.5810 0.0491 -0.0936 -0.0413 134 VAL L O 5425 C CB . VAL C 128 ? 0.6229 0.3672 0.5401 0.0690 -0.1071 -0.0456 134 VAL L CB 5426 C CG1 . VAL C 128 ? 0.6037 0.3530 0.5304 0.0701 -0.0944 -0.0465 134 VAL L CG1 5427 C CG2 . VAL C 128 ? 0.5960 0.3425 0.5227 0.0814 -0.1227 -0.0499 134 VAL L CG2 5428 N N . VAL C 129 ? 0.6518 0.4185 0.5912 0.0458 -0.0796 -0.0437 135 VAL L N 5429 C CA . VAL C 129 ? 0.6453 0.4089 0.5763 0.0377 -0.0698 -0.0393 135 VAL L CA 5430 C C . VAL C 129 ? 0.6906 0.4537 0.6130 0.0354 -0.0571 -0.0321 135 VAL L C 5431 O O . VAL C 129 ? 0.6152 0.3915 0.5530 0.0383 -0.0513 -0.0316 135 VAL L O 5432 C CB . VAL C 129 ? 0.6080 0.3828 0.5694 0.0319 -0.0686 -0.0412 135 VAL L CB 5433 C CG1 . VAL C 129 ? 0.5022 0.2728 0.4569 0.0259 -0.0593 -0.0360 135 VAL L CG1 5434 C CG2 . VAL C 129 ? 0.6795 0.4529 0.6483 0.0344 -0.0842 -0.0527 135 VAL L CG2 5435 N N . CYS C 130 ? 0.6445 0.3968 0.5424 0.0310 -0.0532 -0.0275 136 CYS L N 5436 C CA . CYS C 130 ? 0.5415 0.2941 0.4310 0.0278 -0.0430 -0.0222 136 CYS L CA 5437 C C . CYS C 130 ? 0.6372 0.3960 0.5272 0.0211 -0.0344 -0.0172 136 CYS L C 5438 O O . CYS C 130 ? 0.6687 0.4233 0.5475 0.0192 -0.0370 -0.0175 136 CYS L O 5439 C CB . CYS C 130 ? 0.5681 0.3024 0.4318 0.0275 -0.0480 -0.0197 136 CYS L CB 5440 S SG . CYS C 130 ? 0.7460 0.4785 0.6017 0.0256 -0.0410 -0.0188 136 CYS L SG 5441 N N . LEU C 131 ? 0.6021 0.3744 0.5052 0.0191 -0.0247 -0.0124 137 LEU L N 5442 C CA . LEU C 131 ? 0.4950 0.2731 0.4022 0.0141 -0.0177 -0.0057 137 LEU L CA 5443 C C . LEU C 131 ? 0.6065 0.3878 0.4961 0.0115 -0.0103 -0.0005 137 LEU L C 5444 O O . LEU C 131 ? 0.6258 0.4147 0.5125 0.0137 -0.0066 -0.0008 137 LEU L O 5445 C CB . LEU C 131 ? 0.5003 0.2934 0.4391 0.0119 -0.0138 0.0007 137 LEU L CB 5446 C CG . LEU C 131 ? 0.5952 0.3946 0.5426 0.0074 -0.0071 0.0118 137 LEU L CG 5447 C CD1 . LEU C 131 ? 0.4882 0.2733 0.4360 0.0078 -0.0138 0.0068 137 LEU L CD1 5448 C CD2 . LEU C 131 ? 0.5325 0.3503 0.5117 0.0033 -0.0026 0.0244 137 LEU L CD2 5449 N N . LEU C 132 ? 0.6211 0.3996 0.4994 0.0082 -0.0091 0.0022 138 LEU L N 5450 C CA . LEU C 132 ? 0.5903 0.3755 0.4560 0.0047 -0.0032 0.0077 138 LEU L CA 5451 C C . LEU C 132 ? 0.6130 0.4094 0.4924 0.0042 0.0024 0.0153 138 LEU L C 5452 O O . LEU C 132 ? 0.5190 0.3123 0.4012 0.0054 0.0000 0.0139 138 LEU L O 5453 C CB . LEU C 132 ? 0.6178 0.3955 0.4622 0.0005 -0.0068 0.0074 138 LEU L CB 5454 C CG . LEU C 132 ? 0.6442 0.4071 0.4738 -0.0018 -0.0141 0.0051 138 LEU L CG 5455 C CD1 . LEU C 132 ? 0.5570 0.3088 0.3898 0.0032 -0.0217 0.0002 138 LEU L CD1 5456 C CD2 . LEU C 132 ? 0.6528 0.4154 0.4666 -0.0100 -0.0160 0.0115 138 LEU L CD2 5457 N N . ASN C 133 ? 0.5749 0.3859 0.4626 0.0040 0.0089 0.0233 139 ASN L N 5458 C CA . ASN C 133 ? 0.5358 0.3557 0.4419 0.0033 0.0124 0.0348 139 ASN L CA 5459 C C . ASN C 133 ? 0.6118 0.4440 0.5078 0.0026 0.0171 0.0429 139 ASN L C 5460 O O . ASN C 133 ? 0.5533 0.3983 0.4353 0.0022 0.0209 0.0438 139 ASN L O 5461 C CB . ASN C 133 ? 0.5517 0.3856 0.4802 0.0025 0.0164 0.0446 139 ASN L CB 5462 C CG . ASN C 133 ? 0.6995 0.5313 0.6572 -0.0003 0.0142 0.0568 139 ASN L CG 5463 O OD1 . ASN C 133 ? 0.7023 0.5153 0.6679 0.0011 0.0061 0.0497 139 ASN L OD1 5464 N ND2 . ASN C 133 ? 0.5889 0.4411 0.5633 -0.0037 0.0204 0.0755 139 ASN L ND2 5465 N N . ASN C 134 ? 0.5426 0.3718 0.4464 0.0041 0.0152 0.0466 140 ASN L N 5466 C CA . ASN C 134 ? 0.5998 0.4430 0.5015 0.0049 0.0185 0.0571 140 ASN L CA 5467 C C . ASN C 134 ? 0.6635 0.5173 0.5407 0.0025 0.0202 0.0531 140 ASN L C 5468 O O . ASN C 134 ? 0.6345 0.5051 0.5045 0.0017 0.0236 0.0595 140 ASN L O 5469 C CB . ASN C 134 ? 0.5573 0.4158 0.4733 0.0038 0.0233 0.0747 140 ASN L CB 5470 C CG . ASN C 134 ? 0.6687 0.5164 0.6162 0.0031 0.0194 0.0837 140 ASN L CG 5471 O OD1 . ASN C 134 ? 0.5973 0.4244 0.5548 0.0052 0.0119 0.0725 140 ASN L OD1 5472 N ND2 . ASN C 134 ? 0.6315 0.4948 0.5954 -0.0001 0.0235 0.1043 140 ASN L ND2 5473 N N . PHE C 135 ? 0.5768 0.4233 0.4420 0.0008 0.0169 0.0432 141 PHE L N 5474 C CA . PHE C 135 ? 0.4942 0.3492 0.3414 -0.0047 0.0162 0.0411 141 PHE L CA 5475 C C . PHE C 135 ? 0.5929 0.4609 0.4397 -0.0044 0.0161 0.0431 141 PHE L C 5476 O O . PHE C 135 ? 0.5901 0.4576 0.4468 0.0023 0.0158 0.0415 141 PHE L O 5477 C CB . PHE C 135 ? 0.4875 0.3274 0.3220 -0.0100 0.0117 0.0324 141 PHE L CB 5478 C CG . PHE C 135 ? 0.5071 0.3368 0.3417 -0.0091 0.0090 0.0282 141 PHE L CG 5479 C CD1 . PHE C 135 ? 0.5376 0.3541 0.3807 -0.0043 0.0072 0.0236 141 PHE L CD1 5480 C CD2 . PHE C 135 ? 0.4483 0.2865 0.2744 -0.0132 0.0081 0.0294 141 PHE L CD2 5481 C CE1 . PHE C 135 ? 0.5629 0.3733 0.4033 -0.0019 0.0033 0.0181 141 PHE L CE1 5482 C CE2 . PHE C 135 ? 0.5693 0.4051 0.3918 -0.0107 0.0061 0.0259 141 PHE L CE2 5483 C CZ . PHE C 135 ? 0.5200 0.3409 0.3482 -0.0044 0.0031 0.0191 141 PHE L CZ 5484 N N . TYR C 136 ? 0.5990 0.4810 0.4359 -0.0108 0.0152 0.0449 142 TYR L N 5485 C CA . TYR C 136 ? 0.5640 0.4659 0.4014 -0.0121 0.0153 0.0475 142 TYR L CA 5486 C C . TYR C 136 ? 0.6315 0.5401 0.4578 -0.0252 0.0111 0.0473 142 TYR L C 5487 O O . TYR C 136 ? 0.6581 0.5634 0.4784 -0.0286 0.0078 0.0452 142 TYR L O 5488 C CB . TYR C 136 ? 0.4747 0.3944 0.3235 -0.0037 0.0172 0.0548 142 TYR L CB 5489 C CG . TYR C 136 ? 0.5540 0.4989 0.4068 -0.0018 0.0174 0.0558 142 TYR L CG 5490 C CD1 . TYR C 136 ? 0.4219 0.3895 0.2702 -0.0103 0.0155 0.0595 142 TYR L CD1 5491 C CD2 . TYR C 136 ? 0.5669 0.5158 0.4290 0.0092 0.0187 0.0513 142 TYR L CD2 5492 C CE1 . TYR C 136 ? 0.5346 0.5320 0.3897 -0.0090 0.0164 0.0614 142 TYR L CE1 5493 C CE2 . TYR C 136 ? 0.5120 0.4911 0.3784 0.0134 0.0200 0.0509 142 TYR L CE2 5494 C CZ . TYR C 136 ? 0.5183 0.5235 0.3821 0.0037 0.0196 0.0574 142 TYR L CZ 5495 O OH . TYR C 136 ? 0.5516 0.5935 0.4229 0.0077 0.0215 0.0581 142 TYR L OH 5496 N N . PRO C 137 ? 0.5990 0.5193 0.4238 -0.0325 0.0102 0.0495 143 PRO L N 5497 C CA . PRO C 137 ? 0.6268 0.5607 0.4555 -0.0266 0.0145 0.0500 143 PRO L CA 5498 C C . PRO C 137 ? 0.6128 0.5262 0.4359 -0.0238 0.0142 0.0450 143 PRO L C 5499 O O . PRO C 137 ? 0.5654 0.4530 0.3835 -0.0271 0.0106 0.0423 143 PRO L O 5500 C CB . PRO C 137 ? 0.6151 0.5758 0.4428 -0.0394 0.0136 0.0574 143 PRO L CB 5501 C CG . PRO C 137 ? 0.5746 0.5171 0.3961 -0.0553 0.0056 0.0591 143 PRO L CG 5502 C CD . PRO C 137 ? 0.5958 0.5217 0.4159 -0.0483 0.0038 0.0522 143 PRO L CD 5503 N N . ARG C 138 ? 0.5362 0.4647 0.3598 -0.0160 0.0172 0.0423 144 ARG L N 5504 C CA . ARG C 138 ? 0.5682 0.4822 0.3859 -0.0105 0.0157 0.0356 144 ARG L CA 5505 C C . ARG C 138 ? 0.5591 0.4616 0.3634 -0.0239 0.0118 0.0420 144 ARG L C 5506 O O . ARG C 138 ? 0.6015 0.4812 0.4014 -0.0215 0.0079 0.0374 144 ARG L O 5507 C CB . ARG C 138 ? 0.6197 0.5596 0.4382 0.0027 0.0189 0.0286 144 ARG L CB 5508 C CG . ARG C 138 ? 0.5942 0.5236 0.4046 0.0101 0.0156 0.0191 144 ARG L CG 5509 C CD . ARG C 138 ? 0.9092 0.8740 0.7135 0.0224 0.0187 0.0117 144 ARG L CD 5510 N NE . ARG C 138 ? 1.1092 1.0718 0.8984 0.0250 0.0152 0.0069 144 ARG L NE 5511 C CZ . ARG C 138 ? 1.0656 1.0131 0.8574 0.0394 0.0089 -0.0109 144 ARG L CZ 5512 N NH1 . ARG C 138 ? 1.0175 0.9477 0.8290 0.0509 0.0049 -0.0239 144 ARG L NH1 5513 N NH2 . ARG C 138 ? 1.1053 1.0551 0.8813 0.0416 0.0048 -0.0146 144 ARG L NH2 5514 N N . GLU C 139 ? 0.6050 0.5228 0.4055 -0.0385 0.0112 0.0538 145 GLU L N 5515 C CA . GLU C 139 ? 0.7095 0.6156 0.5004 -0.0527 0.0052 0.0640 145 GLU L CA 5516 C C . GLU C 139 ? 0.7257 0.5905 0.5151 -0.0553 -0.0031 0.0591 145 GLU L C 5517 O O . GLU C 139 ? 0.7728 0.6266 0.5669 -0.0593 -0.0064 0.0560 145 GLU L O 5518 C CB . GLU C 139 ? 0.7600 0.6882 0.5537 -0.0710 0.0039 0.0796 145 GLU L CB 5519 C CG . GLU C 139 ? 0.9560 0.9330 0.7494 -0.0706 0.0122 0.0888 145 GLU L CG 5520 C CD . GLU C 139 ? 0.9812 0.9874 0.7836 -0.0547 0.0204 0.0783 145 GLU L CD 5521 O OE1 . GLU C 139 ? 0.7755 0.7694 0.5867 -0.0514 0.0188 0.0715 145 GLU L OE1 5522 O OE2 . GLU C 139 ? 1.0119 1.0549 0.8124 -0.0439 0.0276 0.0766 145 GLU L OE2 5523 N N . ALA C 140 ? 0.6643 0.5103 0.4468 -0.0511 -0.0069 0.0570 146 ALA L N 5524 C CA . ALA C 140 ? 0.6612 0.4718 0.4437 -0.0507 -0.0151 0.0514 146 ALA L CA 5525 C C . ALA C 140 ? 0.7833 0.5792 0.5567 -0.0529 -0.0226 0.0579 146 ALA L C 5526 O O . ALA C 140 ? 0.8124 0.6256 0.5784 -0.0487 -0.0196 0.0614 146 ALA L O 5527 C CB . ALA C 140 ? 0.5561 0.3591 0.3466 -0.0365 -0.0113 0.0375 146 ALA L CB 5528 N N . LYS C 141 ? 0.6938 0.4588 0.4674 -0.0576 -0.0335 0.0584 147 LYS L N 5529 C CA . LYS C 141 ? 0.7088 0.4558 0.4752 -0.0586 -0.0431 0.0661 147 LYS L CA 5530 C C . LYS C 141 ? 0.7656 0.4861 0.5366 -0.0459 -0.0491 0.0517 147 LYS L C 5531 O O . LYS C 141 ? 0.7762 0.4813 0.5545 -0.0429 -0.0520 0.0406 147 LYS L O 5532 C CB . LYS C 141 ? 0.6472 0.3794 0.4129 -0.0766 -0.0547 0.0840 147 LYS L CB 5533 C CG . LYS C 141 ? 0.8142 0.5279 0.5726 -0.0784 -0.0660 0.0975 147 LYS L CG 5534 C CD . LYS C 141 ? 0.9721 0.6519 0.7370 -0.0934 -0.0835 0.1104 147 LYS L CD 5535 C CE . LYS C 141 ? 1.0916 0.7902 0.8609 -0.1158 -0.0832 0.1316 147 LYS L CE 5536 N NZ . LYS C 141 ? 1.1174 0.7778 0.8975 -0.1328 -0.1039 0.1453 147 LYS L NZ 5537 N N . VAL C 142 ? 0.6147 0.3348 0.3811 -0.0374 -0.0512 0.0511 148 VAL L N 5538 C CA . VAL C 142 ? 0.7286 0.4290 0.5015 -0.0253 -0.0577 0.0392 148 VAL L CA 5539 C C . VAL C 142 ? 0.8028 0.4838 0.5683 -0.0263 -0.0717 0.0501 148 VAL L C 5540 O O . VAL C 142 ? 0.8120 0.5066 0.5654 -0.0292 -0.0725 0.0628 148 VAL L O 5541 C CB . VAL C 142 ? 0.8405 0.5576 0.6200 -0.0131 -0.0506 0.0270 148 VAL L CB 5542 C CG1 . VAL C 142 ? 0.8976 0.6003 0.6857 -0.0022 -0.0584 0.0178 148 VAL L CG1 5543 C CG2 . VAL C 142 ? 0.8397 0.5711 0.6301 -0.0115 -0.0389 0.0189 148 VAL L CG2 5544 N N . GLN C 143 ? 0.6699 0.3213 0.4422 -0.0224 -0.0835 0.0452 149 GLN L N 5545 C CA . GLN C 143 ? 0.7660 0.3946 0.5343 -0.0206 -0.0993 0.0553 149 GLN L CA 5546 C C . GLN C 143 ? 0.8900 0.5074 0.6694 -0.0027 -0.1052 0.0382 149 GLN L C 5547 O O . GLN C 143 ? 0.8687 0.4828 0.6602 0.0054 -0.1025 0.0208 149 GLN L O 5548 C CB . GLN C 143 ? 0.8397 0.4375 0.6090 -0.0331 -0.1135 0.0685 149 GLN L CB 5549 C CG . GLN C 143 ? 1.1143 0.7258 0.8745 -0.0534 -0.1115 0.0940 149 GLN L CG 5550 C CD . GLN C 143 ? 1.2810 0.8579 1.0455 -0.0678 -0.1308 0.1138 149 GLN L CD 5551 O OE1 . GLN C 143 ? 1.3843 0.9254 1.1609 -0.0652 -0.1441 0.1019 149 GLN L OE1 5552 N NE2 . GLN C 143 ? 1.2807 0.8692 1.0363 -0.0828 -0.1333 0.1445 149 GLN L NE2 5553 N N . TRP C 144 ? 0.7779 0.3950 0.5531 0.0041 -0.1131 0.0436 150 TRP L N 5554 C CA . TRP C 144 ? 0.7782 0.3884 0.5662 0.0211 -0.1206 0.0293 150 TRP L CA 5555 C C . TRP C 144 ? 0.8064 0.3806 0.5967 0.0256 -0.1407 0.0355 150 TRP L C 5556 O O . TRP C 144 ? 0.7803 0.3393 0.5589 0.0165 -0.1517 0.0577 150 TRP L O 5557 C CB . TRP C 144 ? 0.8081 0.4407 0.5935 0.0280 -0.1199 0.0282 150 TRP L CB 5558 C CG . TRP C 144 ? 0.7782 0.4399 0.5710 0.0290 -0.1047 0.0153 150 TRP L CG 5559 C CD1 . TRP C 144 ? 0.7465 0.4292 0.5285 0.0222 -0.0954 0.0189 150 TRP L CD1 5560 C CD2 . TRP C 144 ? 0.7649 0.4382 0.5802 0.0375 -0.0984 -0.0021 150 TRP L CD2 5561 N NE1 . TRP C 144 ? 0.7166 0.4165 0.5140 0.0261 -0.0859 0.0041 150 TRP L NE1 5562 C CE2 . TRP C 144 ? 0.7336 0.4289 0.5521 0.0337 -0.0872 -0.0065 150 TRP L CE2 5563 C CE3 . TRP C 144 ? 0.7171 0.3873 0.5516 0.0485 -0.1014 -0.0136 150 TRP L CE3 5564 C CZ2 . TRP C 144 ? 0.7371 0.4476 0.5790 0.0374 -0.0799 -0.0181 150 TRP L CZ2 5565 C CZ3 . TRP C 144 ? 0.7218 0.4150 0.5781 0.0524 -0.0915 -0.0249 150 TRP L CZ3 5566 C CH2 . TRP C 144 ? 0.7204 0.4316 0.5810 0.0453 -0.0814 -0.0252 150 TRP L CH2 5567 N N . LYS C 145 ? 0.7147 0.2771 0.5211 0.0405 -0.1459 0.0166 151 LYS L N 5568 C CA . LYS C 145 ? 0.8077 0.3344 0.6202 0.0503 -0.1673 0.0174 151 LYS L CA 5569 C C . LYS C 145 ? 0.8458 0.3830 0.6735 0.0721 -0.1716 0.0014 151 LYS L C 5570 O O . LYS C 145 ? 0.9188 0.4831 0.7596 0.0811 -0.1588 -0.0177 151 LYS L O 5571 C CB . LYS C 145 ? 0.8958 0.4095 0.7190 0.0489 -0.1703 0.0058 151 LYS L CB 5572 C CG . LYS C 145 ? 1.0485 0.5535 0.8625 0.0264 -0.1689 0.0217 151 LYS L CG 5573 C CD . LYS C 145 ? 1.0839 0.5740 0.9113 0.0264 -0.1775 0.0088 151 LYS L CD 5574 C CE . LYS C 145 ? 1.1980 0.6804 1.0207 0.0026 -0.1787 0.0257 151 LYS L CE 5575 N NZ . LYS C 145 ? 1.2666 0.7275 1.1044 0.0016 -0.1940 0.0165 151 LYS L NZ 5576 N N . VAL C 146 ? 0.8288 0.3521 0.6571 0.0789 -0.1887 0.0115 152 VAL L N 5577 C CA . VAL C 146 ? 0.8252 0.3586 0.6703 0.1003 -0.1959 -0.0025 152 VAL L CA 5578 C C . VAL C 146 ? 0.8680 0.3828 0.7263 0.1089 -0.2122 -0.0049 152 VAL L C 5579 O O . VAL C 146 ? 0.8655 0.3605 0.7168 0.1016 -0.2260 0.0157 152 VAL L O 5580 C CB . VAL C 146 ? 0.8652 0.4167 0.7026 0.1011 -0.1993 0.0089 152 VAL L CB 5581 C CG1 . VAL C 146 ? 0.8472 0.4103 0.7055 0.1230 -0.2091 -0.0052 152 VAL L CG1 5582 C CG2 . VAL C 146 ? 0.6619 0.2498 0.4933 0.0891 -0.1786 0.0065 152 VAL L CG2 5583 N N . ASP C 147 ? 0.8921 0.4149 0.7695 0.1250 -0.2107 -0.0296 153 ASP L N 5584 C CA . ASP C 147 ? 0.9405 0.4438 0.8305 0.1345 -0.2259 -0.0374 153 ASP L CA 5585 C C . ASP C 147 ? 0.8014 0.2752 0.6827 0.1149 -0.2325 -0.0224 153 ASP L C 5586 O O . ASP C 147 ? 0.8501 0.2982 0.7346 0.1120 -0.2500 -0.0091 153 ASP L O 5587 C CB . ASP C 147 ? 1.0141 0.5109 0.9128 0.1480 -0.2435 -0.0317 153 ASP L CB 5588 C CG . ASP C 147 ? 1.0876 0.6155 1.0043 0.1714 -0.2405 -0.0524 153 ASP L CG 5589 O OD1 . ASP C 147 ? 1.1268 0.6783 1.0537 0.1807 -0.2272 -0.0743 153 ASP L OD1 5590 O OD2 . ASP C 147 ? 1.0432 0.5753 0.9649 0.1806 -0.2515 -0.0459 153 ASP L OD2 5591 N N . ASN C 148 ? 0.7938 0.2731 0.6662 0.1011 -0.2188 -0.0237 154 ASN L N 5592 C CA . ASN C 148 ? 0.9912 0.4487 0.8588 0.0815 -0.2235 -0.0117 154 ASN L CA 5593 C C . ASN C 148 ? 1.0755 0.5180 0.9323 0.0614 -0.2312 0.0226 154 ASN L C 5594 O O . ASN C 148 ? 1.2063 0.6285 1.0659 0.0462 -0.2405 0.0359 154 ASN L O 5595 C CB . ASN C 148 ? 1.0121 0.4489 0.8959 0.0916 -0.2392 -0.0286 154 ASN L CB 5596 C CG . ASN C 148 ? 1.0794 0.5063 0.9622 0.0777 -0.2386 -0.0325 154 ASN L CG 5597 O OD1 . ASN C 148 ? 1.0924 0.5348 0.9639 0.0657 -0.2227 -0.0302 154 ASN L OD1 5598 N ND2 . ASN C 148 ? 1.1647 0.5649 1.0602 0.0799 -0.2575 -0.0393 154 ASN L ND2 5599 N N . ALA C 149 ? 0.9969 0.4522 0.8419 0.0615 -0.2277 0.0372 155 ALA L N 5600 C CA . ALA C 149 ? 0.9525 0.4041 0.7826 0.0435 -0.2318 0.0712 155 ALA L CA 5601 C C . ALA C 149 ? 0.9468 0.4215 0.7559 0.0306 -0.2142 0.0813 155 ALA L C 5602 O O . ALA C 149 ? 0.8904 0.3827 0.6927 0.0410 -0.2046 0.0689 155 ALA L O 5603 C CB . ALA C 149 ? 0.9700 0.4202 0.7990 0.0546 -0.2446 0.0829 155 ALA L CB 5604 N N . LEU C 150 ? 1.0149 0.4906 0.8155 0.0081 -0.2108 0.1036 156 LEU L N 5605 C CA . LEU C 150 ? 1.0339 0.5341 0.8139 -0.0045 -0.1944 0.1143 156 LEU L CA 5606 C C . LEU C 150 ? 1.0358 0.5567 0.7938 0.0009 -0.1930 0.1275 156 LEU L C 5607 O O . LEU C 150 ? 1.0028 0.5240 0.7574 0.0022 -0.2043 0.1458 156 LEU L O 5608 C CB . LEU C 150 ? 1.0950 0.5990 0.8740 -0.0295 -0.1923 0.1382 156 LEU L CB 5609 C CG . LEU C 150 ? 1.2077 0.7070 0.9968 -0.0385 -0.1859 0.1241 156 LEU L CG 5610 C CD1 . LEU C 150 ? 1.2158 0.7167 1.0114 -0.0628 -0.1893 0.1489 156 LEU L CD1 5611 C CD2 . LEU C 150 ? 1.2444 0.7650 1.0186 -0.0369 -0.1672 0.1125 156 LEU L CD2 5612 N N . GLN C 151 ? 0.9473 0.4984 0.6960 0.0044 -0.1761 0.1138 157 GLN L N 5613 C CA . GLN C 151 ? 0.9369 0.5238 0.6712 0.0113 -0.1711 0.1148 157 GLN L CA 5614 C C . GLN C 151 ? 0.9471 0.5696 0.6605 -0.0029 -0.1581 0.1318 157 GLN L C 5615 O O . GLN C 151 ? 0.9868 0.6193 0.7019 -0.0140 -0.1445 0.1296 157 GLN L O 5616 C CB . GLN C 151 ? 0.8912 0.4972 0.6387 0.0263 -0.1609 0.0827 157 GLN L CB 5617 C CG . GLN C 151 ? 0.9092 0.4927 0.6789 0.0424 -0.1709 0.0647 157 GLN L CG 5618 C CD . GLN C 151 ? 0.9313 0.5020 0.6997 0.0537 -0.1913 0.0746 157 GLN L CD 5619 O OE1 . GLN C 151 ? 0.9480 0.5428 0.7113 0.0617 -0.1935 0.0720 157 GLN L OE1 5620 N NE2 . GLN C 151 ? 0.8211 0.3523 0.5951 0.0552 -0.2086 0.0854 157 GLN L NE2 5621 N N . SER C 152 ? 0.9446 0.5908 0.6379 -0.0007 -0.1625 0.1481 158 SER L N 5622 C CA . SER C 152 ? 0.9232 0.6129 0.5944 -0.0100 -0.1501 0.1626 158 SER L CA 5623 C C . SER C 152 ? 0.8420 0.5686 0.4944 0.0045 -0.1509 0.1550 158 SER L C 5624 O O . SER C 152 ? 0.8841 0.6050 0.5293 0.0127 -0.1665 0.1646 158 SER L O 5625 C CB . SER C 152 ? 1.0599 0.7461 0.7208 -0.0293 -0.1564 0.2038 158 SER L CB 5626 O OG . SER C 152 ? 1.2069 0.8624 0.8860 -0.0446 -0.1565 0.2086 158 SER L OG 5627 N N . GLY C 153 ? 0.8117 0.5754 0.4571 0.0089 -0.1359 0.1362 159 GLY L N 5628 C CA . GLY C 153 ? 0.8819 0.6847 0.5076 0.0228 -0.1375 0.1259 159 GLY L CA 5629 C C . GLY C 153 ? 0.8756 0.6730 0.5170 0.0396 -0.1431 0.0914 159 GLY L C 5630 O O . GLY C 153 ? 0.8970 0.7236 0.5252 0.0521 -0.1477 0.0777 159 GLY L O 5631 N N . ASN C 154 ? 0.8271 0.5906 0.4976 0.0399 -0.1435 0.0771 160 ASN L N 5632 C CA . ASN C 154 ? 0.7599 0.5204 0.4517 0.0528 -0.1486 0.0484 160 ASN L CA 5633 C C . ASN C 154 ? 0.7852 0.5407 0.5017 0.0505 -0.1350 0.0269 160 ASN L C 5634 O O . ASN C 154 ? 0.7353 0.4818 0.4778 0.0565 -0.1378 0.0093 160 ASN L O 5635 C CB . ASN C 154 ? 0.7131 0.4456 0.4199 0.0591 -0.1641 0.0520 160 ASN L CB 5636 C CG . ASN C 154 ? 0.7975 0.4942 0.5169 0.0510 -0.1628 0.0636 160 ASN L CG 5637 O OD1 . ASN C 154 ? 0.7788 0.4713 0.4964 0.0389 -0.1505 0.0694 160 ASN L OD1 5638 N ND2 . ASN C 154 ? 0.7588 0.4302 0.4920 0.0592 -0.1770 0.0647 160 ASN L ND2 5639 N N . SER C 155 ? 0.7016 0.4666 0.4114 0.0416 -0.1205 0.0305 161 SER L N 5640 C CA . SER C 155 ? 0.7294 0.4922 0.4605 0.0399 -0.1083 0.0132 161 SER L CA 5641 C C . SER C 155 ? 0.7699 0.5606 0.4901 0.0403 -0.0980 0.0060 161 SER L C 5642 O O . SER C 155 ? 0.7021 0.5150 0.3972 0.0381 -0.0954 0.0193 161 SER L O 5643 C CB . SER C 155 ? 0.6985 0.4373 0.4409 0.0297 -0.1014 0.0225 161 SER L CB 5644 O OG . SER C 155 ? 0.7192 0.4631 0.4447 0.0180 -0.0949 0.0414 161 SER L OG 5645 N N . GLN C 156 ? 0.7670 0.5584 0.5079 0.0439 -0.0928 -0.0142 162 GLN L N 5646 C CA . GLN C 156 ? 0.7535 0.5668 0.4898 0.0472 -0.0846 -0.0248 162 GLN L CA 5647 C C . GLN C 156 ? 0.6886 0.4901 0.4484 0.0418 -0.0738 -0.0291 162 GLN L C 5648 O O . GLN C 156 ? 0.6138 0.3968 0.3985 0.0403 -0.0751 -0.0343 162 GLN L O 5649 C CB . GLN C 156 ? 0.6699 0.4982 0.4077 0.0613 -0.0949 -0.0491 162 GLN L CB 5650 C CG . GLN C 156 ? 0.6649 0.5168 0.3725 0.0693 -0.1045 -0.0464 162 GLN L CG 5651 C CD . GLN C 156 ? 0.7823 0.6515 0.4899 0.0850 -0.1161 -0.0756 162 GLN L CD 5652 O OE1 . GLN C 156 ? 0.8904 0.7455 0.6196 0.0888 -0.1290 -0.0912 162 GLN L OE1 5653 N NE2 . GLN C 156 ? 0.7863 0.6887 0.4713 0.0948 -0.1127 -0.0846 162 GLN L NE2 5654 N N . GLU C 157 ? 0.6823 0.4992 0.4342 0.0395 -0.0630 -0.0257 163 GLU L N 5655 C CA . GLU C 157 ? 0.6912 0.4999 0.4622 0.0346 -0.0532 -0.0264 163 GLU L CA 5656 C C . GLU C 157 ? 0.6375 0.4598 0.4171 0.0444 -0.0512 -0.0436 163 GLU L C 5657 O O . GLU C 157 ? 0.5791 0.4243 0.3435 0.0546 -0.0540 -0.0537 163 GLU L O 5658 C CB . GLU C 157 ? 0.7201 0.5321 0.4803 0.0225 -0.0436 -0.0067 163 GLU L CB 5659 C CG . GLU C 157 ? 0.9965 0.7864 0.7545 0.0128 -0.0475 0.0081 163 GLU L CG 5660 C CD . GLU C 157 ? 1.0911 0.8818 0.8431 -0.0003 -0.0411 0.0249 163 GLU L CD 5661 O OE1 . GLU C 157 ? 1.1764 0.9465 0.9269 -0.0083 -0.0467 0.0360 163 GLU L OE1 5662 O OE2 . GLU C 157 ? 0.9650 0.7766 0.7158 -0.0021 -0.0321 0.0257 163 GLU L OE2 5663 N N . SER C 158 ? 0.5629 0.3724 0.3670 0.0424 -0.0471 -0.0467 164 SER L N 5664 C CA . SER C 158 ? 0.6158 0.4313 0.4333 0.0518 -0.0474 -0.0614 164 SER L CA 5665 C C . SER C 158 ? 0.5323 0.3412 0.3656 0.0452 -0.0378 -0.0512 164 SER L C 5666 O O . SER C 158 ? 0.5861 0.3801 0.4313 0.0359 -0.0349 -0.0406 164 SER L O 5667 C CB . SER C 158 ? 0.6120 0.4134 0.4521 0.0594 -0.0611 -0.0807 164 SER L CB 5668 O OG . SER C 158 ? 0.7311 0.5307 0.5891 0.0685 -0.0645 -0.0951 164 SER L OG 5669 N N . VAL C 159 ? 0.5711 0.3954 0.4035 0.0518 -0.0331 -0.0550 165 VAL L N 5670 C CA . VAL C 159 ? 0.5499 0.3732 0.3942 0.0469 -0.0246 -0.0442 165 VAL L CA 5671 C C . VAL C 159 ? 0.6698 0.4883 0.5372 0.0586 -0.0295 -0.0565 165 VAL L C 5672 O O . VAL C 159 ? 0.6377 0.4665 0.5025 0.0732 -0.0357 -0.0749 165 VAL L O 5673 C CB . VAL C 159 ? 0.6272 0.4761 0.4512 0.0423 -0.0144 -0.0324 165 VAL L CB 5674 C CG1 . VAL C 159 ? 0.5504 0.3981 0.3854 0.0355 -0.0073 -0.0201 165 VAL L CG1 5675 C CG2 . VAL C 159 ? 0.7282 0.5797 0.5307 0.0314 -0.0134 -0.0203 165 VAL L CG2 5676 N N . THR C 160 ? 0.5605 0.3644 0.4504 0.0533 -0.0278 -0.0463 166 THR L N 5677 C CA . THR C 160 ? 0.6499 0.4448 0.5651 0.0630 -0.0341 -0.0530 166 THR L CA 5678 C C . THR C 160 ? 0.5394 0.3566 0.4466 0.0715 -0.0277 -0.0526 166 THR L C 5679 O O . THR C 160 ? 0.5783 0.4168 0.4653 0.0647 -0.0169 -0.0412 166 THR L O 5680 C CB . THR C 160 ? 0.6816 0.4574 0.6244 0.0533 -0.0343 -0.0364 166 THR L CB 5681 O OG1 . THR C 160 ? 0.5696 0.3572 0.5000 0.0426 -0.0216 -0.0167 166 THR L OG1 5682 C CG2 . THR C 160 ? 0.6115 0.3702 0.5704 0.0463 -0.0417 -0.0379 166 THR L CG2 5683 N N . GLU C 161 ? 0.5453 0.3575 0.4712 0.0868 -0.0361 -0.0656 167 GLU L N 5684 C CA . GLU C 161 ? 0.5555 0.3883 0.4815 0.0967 -0.0313 -0.0642 167 GLU L CA 5685 C C . GLU C 161 ? 0.6297 0.4594 0.5641 0.0842 -0.0239 -0.0386 167 GLU L C 5686 O O . GLU C 161 ? 0.5740 0.3820 0.5218 0.0726 -0.0253 -0.0253 167 GLU L O 5687 C CB . GLU C 161 ? 0.5881 0.4099 0.5372 0.1183 -0.0453 -0.0854 167 GLU L CB 5688 C CG . GLU C 161 ? 0.8809 0.7154 0.8177 0.1360 -0.0529 -0.1160 167 GLU L CG 5689 C CD . GLU C 161 ? 1.1361 1.0200 1.0408 0.1416 -0.0398 -0.1184 167 GLU L CD 5690 O OE1 . GLU C 161 ? 1.2129 1.1224 1.1197 0.1536 -0.0351 -0.1199 167 GLU L OE1 5691 O OE2 . GLU C 161 ? 1.2536 1.1529 1.1329 0.1337 -0.0345 -0.1166 167 GLU L OE2 5692 N N . GLN C 162 ? 0.5879 0.4443 0.5143 0.0870 -0.0161 -0.0318 168 GLN L N 5693 C CA . GLN C 162 ? 0.5913 0.4498 0.5233 0.0774 -0.0106 -0.0095 168 GLN L CA 5694 C C . GLN C 162 ? 0.6471 0.4787 0.6100 0.0819 -0.0200 -0.0023 168 GLN L C 5695 O O . GLN C 162 ? 0.6415 0.4632 0.6235 0.0985 -0.0305 -0.0148 168 GLN L O 5696 C CB . GLN C 162 ? 0.6132 0.5073 0.5364 0.0820 -0.0038 -0.0062 168 GLN L CB 5697 C CG . GLN C 162 ? 0.6019 0.5033 0.5254 0.0709 0.0013 0.0154 168 GLN L CG 5698 C CD . GLN C 162 ? 0.5334 0.4734 0.4495 0.0730 0.0069 0.0184 168 GLN L CD 5699 O OE1 . GLN C 162 ? 0.5622 0.5237 0.4826 0.0885 0.0059 0.0062 168 GLN L OE1 5700 N NE2 . GLN C 162 ? 0.4925 0.4446 0.3987 0.0583 0.0119 0.0331 168 GLN L NE2 5701 N N . ASP C 163 ? 0.5523 0.3730 0.5209 0.0678 -0.0171 0.0181 169 ASP L N 5702 C CA . ASP C 163 ? 0.5232 0.3208 0.5226 0.0678 -0.0254 0.0319 169 ASP L CA 5703 C C . ASP C 163 ? 0.6155 0.4185 0.6290 0.0797 -0.0297 0.0401 169 ASP L C 5704 O O . ASP C 163 ? 0.5996 0.4298 0.5975 0.0800 -0.0218 0.0472 169 ASP L O 5705 C CB . ASP C 163 ? 0.5538 0.3520 0.5525 0.0506 -0.0183 0.0547 169 ASP L CB 5706 C CG . ASP C 163 ? 0.6342 0.4129 0.6668 0.0472 -0.0262 0.0741 169 ASP L CG 5707 O OD1 . ASP C 163 ? 0.7115 0.4968 0.7532 0.0489 -0.0263 0.0942 169 ASP L OD1 5708 O OD2 . ASP C 163 ? 0.6328 0.3913 0.6848 0.0420 -0.0331 0.0712 169 ASP L OD2 5709 N N . SER C 164 ? 0.5839 0.3597 0.6294 0.0896 -0.0444 0.0388 170 SER L N 5710 C CA . SER C 164 ? 0.7163 0.4920 0.7797 0.1039 -0.0520 0.0459 170 SER L CA 5711 C C . SER C 164 ? 0.7278 0.5139 0.7937 0.0935 -0.0466 0.0806 170 SER L C 5712 O O . SER C 164 ? 0.7470 0.5483 0.8148 0.1033 -0.0477 0.0890 170 SER L O 5713 C CB . SER C 164 ? 0.7845 0.5209 0.8854 0.1169 -0.0729 0.0357 170 SER L CB 5714 O OG . SER C 164 ? 0.8962 0.6039 1.0204 0.1008 -0.0793 0.0521 170 SER L OG 5715 N N . LYS C 165 ? 0.7473 0.5303 0.8126 0.0750 -0.0407 0.1003 171 LYS L N 5716 C CA . LYS C 165 ? 0.8075 0.6058 0.8733 0.0658 -0.0353 0.1338 171 LYS L CA 5717 C C . LYS C 165 ? 0.7362 0.5722 0.7651 0.0587 -0.0198 0.1360 171 LYS L C 5718 O O . LYS C 165 ? 0.6545 0.5132 0.6748 0.0634 -0.0181 0.1461 171 LYS L O 5719 C CB . LYS C 165 ? 0.8834 0.6669 0.9702 0.0506 -0.0367 0.1562 171 LYS L CB 5720 C CG . LYS C 165 ? 1.0780 0.8303 1.2085 0.0531 -0.0537 0.1753 171 LYS L CG 5721 C CD . LYS C 165 ? 1.1372 0.8519 1.2911 0.0657 -0.0711 0.1462 171 LYS L CD 5722 C CE . LYS C 165 ? 1.2463 0.9282 1.4436 0.0663 -0.0899 0.1620 171 LYS L CE 5723 N NZ . LYS C 165 ? 1.2902 0.9420 1.5043 0.0796 -0.1067 0.1260 171 LYS L NZ 5724 N N . ASP C 166 ? 0.5841 0.4256 0.5930 0.0479 -0.0108 0.1257 172 ASP L N 5725 C CA . ASP C 166 ? 0.6038 0.4748 0.5814 0.0402 0.0007 0.1273 172 ASP L CA 5726 C C . ASP C 166 ? 0.6073 0.4895 0.5619 0.0421 0.0040 0.1042 172 ASP L C 5727 O O . ASP C 166 ? 0.5841 0.4861 0.5156 0.0349 0.0104 0.1027 172 ASP L O 5728 C CB . ASP C 166 ? 0.7000 0.5730 0.6709 0.0278 0.0077 0.1332 172 ASP L CB 5729 C CG . ASP C 166 ? 0.8066 0.6574 0.7818 0.0249 0.0059 0.1147 172 ASP L CG 5730 O OD1 . ASP C 166 ? 0.7982 0.6432 0.7626 0.0294 0.0041 0.0932 172 ASP L OD1 5731 O OD2 . ASP C 166 ? 0.8934 0.7371 0.8831 0.0179 0.0063 0.1233 172 ASP L OD2 5732 N N . SER C 167 ? 0.6181 0.4893 0.5805 0.0519 -0.0014 0.0864 173 SER L N 5733 C CA . SER C 167 ? 0.5817 0.4696 0.5256 0.0540 0.0020 0.0684 173 SER L CA 5734 C C . SER C 167 ? 0.5105 0.3990 0.4319 0.0410 0.0082 0.0609 173 SER L C 5735 O O . SER C 167 ? 0.5729 0.4804 0.4768 0.0362 0.0121 0.0557 173 SER L O 5736 C CB . SER C 167 ? 0.4877 0.4070 0.4247 0.0567 0.0042 0.0746 173 SER L CB 5737 O OG . SER C 167 ? 0.5745 0.4950 0.5326 0.0726 -0.0029 0.0776 173 SER L OG 5738 N N . THR C 168 ? 0.4593 0.3274 0.3840 0.0350 0.0079 0.0613 174 THR L N 5739 C CA . THR C 168 ? 0.5278 0.3931 0.4336 0.0250 0.0117 0.0540 174 THR L CA 5740 C C . THR C 168 ? 0.6252 0.4749 0.5320 0.0283 0.0077 0.0384 174 THR L C 5741 O O . THR C 168 ? 0.5588 0.3977 0.4821 0.0383 0.0013 0.0309 174 THR L O 5742 C CB . THR C 168 ? 0.6456 0.5070 0.5514 0.0171 0.0149 0.0641 174 THR L CB 5743 O OG1 . THR C 168 ? 0.6440 0.4891 0.5738 0.0190 0.0112 0.0695 174 THR L OG1 5744 C CG2 . THR C 168 ? 0.6103 0.4926 0.5104 0.0152 0.0185 0.0784 174 THR L CG2 5745 N N . TYR C 169 ? 0.5137 0.3616 0.4027 0.0207 0.0097 0.0327 175 TYR L N 5746 C CA . TYR C 169 ? 0.5711 0.4069 0.4577 0.0232 0.0054 0.0197 175 TYR L CA 5747 C C . TYR C 169 ? 0.5743 0.3946 0.4629 0.0167 0.0044 0.0209 175 TYR L C 5748 O O . TYR C 169 ? 0.5749 0.3980 0.4598 0.0102 0.0085 0.0294 175 TYR L O 5749 C CB . TYR C 169 ? 0.5946 0.4447 0.4592 0.0209 0.0072 0.0143 175 TYR L CB 5750 C CG . TYR C 169 ? 0.5676 0.4425 0.4311 0.0281 0.0094 0.0125 175 TYR L CG 5751 C CD1 . TYR C 169 ? 0.5773 0.4718 0.4371 0.0224 0.0139 0.0226 175 TYR L CD1 5752 C CD2 . TYR C 169 ? 0.5212 0.4034 0.3880 0.0421 0.0061 -0.0013 175 TYR L CD2 5753 C CE1 . TYR C 169 ? 0.5544 0.4773 0.4161 0.0296 0.0161 0.0212 175 TYR L CE1 5754 C CE2 . TYR C 169 ? 0.5356 0.4467 0.4024 0.0515 0.0087 -0.0047 175 TYR L CE2 5755 C CZ . TYR C 169 ? 0.5553 0.4877 0.4207 0.0448 0.0143 0.0077 175 TYR L CZ 5756 O OH . TYR C 169 ? 0.5151 0.4817 0.3834 0.0548 0.0171 0.0047 175 TYR L OH 5757 N N . SER C 170 ? 0.5796 0.3869 0.4741 0.0202 -0.0019 0.0104 176 SER L N 5758 C CA . SER C 170 ? 0.5522 0.3490 0.4482 0.0153 -0.0037 0.0095 176 SER L CA 5759 C C . SER C 170 ? 0.5692 0.3617 0.4513 0.0178 -0.0094 -0.0026 176 SER L C 5760 O O . SER C 170 ? 0.6043 0.4008 0.4829 0.0254 -0.0134 -0.0126 176 SER L O 5761 C CB . SER C 170 ? 0.5299 0.3177 0.4555 0.0153 -0.0074 0.0131 176 SER L CB 5762 O OG . SER C 170 ? 0.6147 0.4113 0.5506 0.0116 -0.0011 0.0294 176 SER L OG 5763 N N . LEU C 171 ? 0.6529 0.4397 0.5262 0.0133 -0.0105 -0.0021 177 LEU L N 5764 C CA . LEU C 171 ? 0.7023 0.4860 0.5602 0.0153 -0.0167 -0.0095 177 LEU L CA 5765 C C . LEU C 171 ? 0.6682 0.4409 0.5354 0.0157 -0.0230 -0.0134 177 LEU L C 5766 O O . LEU C 171 ? 0.5611 0.3312 0.4356 0.0124 -0.0202 -0.0083 177 LEU L O 5767 C CB . LEU C 171 ? 0.6215 0.4106 0.4550 0.0089 -0.0139 -0.0020 177 LEU L CB 5768 C CG . LEU C 171 ? 0.6890 0.4781 0.5039 0.0090 -0.0200 -0.0026 177 LEU L CG 5769 C CD1 . LEU C 171 ? 0.7483 0.5533 0.5448 0.0027 -0.0161 0.0072 177 LEU L CD1 5770 C CD2 . LEU C 171 ? 0.6701 0.4416 0.4832 0.0060 -0.0259 -0.0002 177 LEU L CD2 5771 N N . SER C 172 ? 0.5586 0.3290 0.4249 0.0213 -0.0319 -0.0238 178 SER L N 5772 C CA . SER C 172 ? 0.5698 0.3330 0.4441 0.0226 -0.0399 -0.0283 178 SER L CA 5773 C C . SER C 172 ? 0.7044 0.4673 0.5533 0.0245 -0.0459 -0.0287 178 SER L C 5774 O O . SER C 172 ? 0.8298 0.6021 0.6613 0.0281 -0.0479 -0.0320 178 SER L O 5775 C CB . SER C 172 ? 0.7477 0.5087 0.6471 0.0270 -0.0490 -0.0402 178 SER L CB 5776 O OG . SER C 172 ? 0.9103 0.6686 0.8201 0.0278 -0.0576 -0.0445 178 SER L OG 5777 N N . SER C 173 ? 0.6873 0.4419 0.5344 0.0231 -0.0491 -0.0243 179 SER L N 5778 C CA . SER C 173 ? 0.7658 0.5167 0.5923 0.0249 -0.0576 -0.0214 179 SER L CA 5779 C C . SER C 173 ? 0.7503 0.4967 0.5903 0.0309 -0.0682 -0.0284 179 SER L C 5780 O O . SER C 173 ? 0.6495 0.3924 0.5087 0.0313 -0.0669 -0.0291 179 SER L O 5781 C CB . SER C 173 ? 0.7717 0.5125 0.5826 0.0182 -0.0553 -0.0082 179 SER L CB 5782 O OG . SER C 173 ? 0.8442 0.5795 0.6370 0.0186 -0.0650 -0.0006 179 SER L OG 5783 N N . THR C 174 ? 0.6729 0.4245 0.5030 0.0367 -0.0788 -0.0339 180 THR L N 5784 C CA . THR C 174 ? 0.6897 0.4405 0.5337 0.0430 -0.0909 -0.0414 180 THR L CA 5785 C C . THR C 174 ? 0.7111 0.4571 0.5335 0.0468 -0.1013 -0.0331 180 THR L C 5786 O O . THR C 174 ? 0.6666 0.4206 0.4630 0.0480 -0.1049 -0.0282 180 THR L O 5787 C CB . THR C 174 ? 0.6756 0.4370 0.5324 0.0481 -0.0995 -0.0581 180 THR L CB 5788 O OG1 . THR C 174 ? 0.6490 0.4102 0.5304 0.0438 -0.0924 -0.0631 180 THR L OG1 5789 C CG2 . THR C 174 ? 0.7051 0.4687 0.5806 0.0532 -0.1133 -0.0660 180 THR L CG2 5790 N N . LEU C 175 ? 0.7049 0.4404 0.5387 0.0498 -0.1063 -0.0304 181 LEU L N 5791 C CA . LEU C 175 ? 0.6933 0.4201 0.5123 0.0552 -0.1194 -0.0219 181 LEU L CA 5792 C C . LEU C 175 ? 0.7271 0.4651 0.5598 0.0647 -0.1331 -0.0333 181 LEU L C 5793 O O . LEU C 175 ? 0.6814 0.4250 0.5447 0.0674 -0.1333 -0.0437 181 LEU L O 5794 C CB . LEU C 175 ? 0.7021 0.4084 0.5265 0.0559 -0.1198 -0.0149 181 LEU L CB 5795 C CG . LEU C 175 ? 0.7805 0.4702 0.5934 0.0621 -0.1358 -0.0041 181 LEU L CG 5796 C CD1 . LEU C 175 ? 0.7089 0.3920 0.4911 0.0534 -0.1381 0.0162 181 LEU L CD1 5797 C CD2 . LEU C 175 ? 0.6394 0.3091 0.4670 0.0679 -0.1388 -0.0063 181 LEU L CD2 5798 N N . THR C 176 ? 0.6795 0.4251 0.4903 0.0694 -0.1448 -0.0305 182 THR L N 5799 C CA . THR C 176 ? 0.7407 0.5000 0.5626 0.0787 -0.1601 -0.0431 182 THR L CA 5800 C C . THR C 176 ? 0.8173 0.5711 0.6264 0.0871 -0.1759 -0.0315 182 THR L C 5801 O O . THR C 176 ? 0.8642 0.6169 0.6413 0.0867 -0.1799 -0.0150 182 THR L O 5802 C CB . THR C 176 ? 0.8638 0.6434 0.6724 0.0811 -0.1642 -0.0562 182 THR L CB 5803 O OG1 . THR C 176 ? 1.1284 0.9161 0.8968 0.0825 -0.1659 -0.0424 182 THR L OG1 5804 C CG2 . THR C 176 ? 0.5657 0.3466 0.3872 0.0743 -0.1508 -0.0667 182 THR L CG2 5805 N N . LEU C 177 ? 0.7628 0.5161 0.5989 0.0949 -0.1851 -0.0382 183 LEU L N 5806 C CA . LEU C 177 ? 0.8432 0.5912 0.6728 0.1057 -0.2026 -0.0289 183 LEU L CA 5807 C C . LEU C 177 ? 0.8369 0.6071 0.6883 0.1154 -0.2180 -0.0449 183 LEU L C 5808 O O . LEU C 177 ? 0.7922 0.5774 0.6727 0.1122 -0.2144 -0.0624 183 LEU L O 5809 C CB . LEU C 177 ? 0.9644 0.6888 0.8074 0.1096 -0.2018 -0.0214 183 LEU L CB 5810 C CG . LEU C 177 ? 1.0018 0.7027 0.8329 0.0996 -0.1881 -0.0102 183 LEU L CG 5811 C CD1 . LEU C 177 ? 0.9667 0.6467 0.8155 0.1077 -0.1911 -0.0111 183 LEU L CD1 5812 C CD2 . LEU C 177 ? 1.1235 0.8140 0.9179 0.0922 -0.1914 0.0122 183 LEU L CD2 5813 N N . SER C 178 ? 0.7367 0.5091 0.5759 0.1263 -0.2367 -0.0371 184 SER L N 5814 C CA . SER C 178 ? 0.7508 0.5445 0.6144 0.1367 -0.2538 -0.0514 184 SER L CA 5815 C C . SER C 178 ? 0.7911 0.5838 0.6970 0.1415 -0.2510 -0.0578 184 SER L C 5816 O O . SER C 178 ? 0.7969 0.5685 0.7040 0.1415 -0.2410 -0.0493 184 SER L O 5817 C CB . SER C 178 ? 0.8460 0.6430 0.6845 0.1487 -0.2752 -0.0385 184 SER L CB 5818 O OG . SER C 178 ? 0.8784 0.6482 0.7115 0.1542 -0.2788 -0.0180 184 SER L OG 5819 N N . LYS C 179 ? 0.8015 0.6202 0.7428 0.1459 -0.2601 -0.0738 185 LYS L N 5820 C CA . LYS C 179 ? 0.7897 0.6192 0.7735 0.1519 -0.2570 -0.0796 185 LYS L CA 5821 C C . LYS C 179 ? 0.8972 0.7107 0.8750 0.1688 -0.2674 -0.0689 185 LYS L C 5822 O O . LYS C 179 ? 1.0009 0.8092 0.9972 0.1751 -0.2589 -0.0699 185 LYS L O 5823 C CB . LYS C 179 ? 0.8591 0.7247 0.8843 0.1526 -0.2682 -0.0958 185 LYS L CB 5824 C CG . LYS C 179 ? 0.9017 0.7901 0.9744 0.1581 -0.2626 -0.1006 185 LYS L CG 5825 C CD . LYS C 179 ? 1.0019 0.9294 1.1177 0.1591 -0.2778 -0.1132 185 LYS L CD 5826 C CE . LYS C 179 ? 1.0062 0.9660 1.1713 0.1645 -0.2699 -0.1158 185 LYS L CE 5827 N NZ . LYS C 179 ? 1.0555 1.0580 1.2674 0.1646 -0.2860 -0.1259 185 LYS L NZ 5828 N N . ALA C 180 ? 0.8844 0.6909 0.8360 0.1775 -0.2868 -0.0589 186 ALA L N 5829 C CA . ALA C 180 ? 0.9252 0.7116 0.8711 0.1943 -0.3015 -0.0460 186 ALA L CA 5830 C C . ALA C 180 ? 1.0442 0.7900 0.9699 0.1907 -0.2913 -0.0315 186 ALA L C 5831 O O . ALA C 180 ? 1.1378 0.8670 1.0794 0.2032 -0.2940 -0.0324 186 ALA L O 5832 C CB . ALA C 180 ? 0.9168 0.7055 0.8351 0.2018 -0.3245 -0.0335 186 ALA L CB 5833 N N . ASP C 181 ? 1.0436 0.7752 0.9359 0.1745 -0.2807 -0.0200 187 ASP L N 5834 C CA . ASP C 181 ? 1.0408 0.7359 0.9154 0.1674 -0.2718 -0.0056 187 ASP L CA 5835 C C . ASP C 181 ? 1.0222 0.7153 0.9217 0.1651 -0.2532 -0.0210 187 ASP L C 5836 O O . ASP C 181 ? 1.0244 0.6885 0.9242 0.1690 -0.2528 -0.0174 187 ASP L O 5837 C CB . ASP C 181 ? 1.0436 0.7347 0.8805 0.1499 -0.2632 0.0097 187 ASP L CB 5838 C CG . ASP C 181 ? 1.2344 0.9167 1.0389 0.1518 -0.2806 0.0358 187 ASP L CG 5839 O OD1 . ASP C 181 ? 1.3839 1.0441 1.1927 0.1638 -0.2986 0.0481 187 ASP L OD1 5840 O OD2 . ASP C 181 ? 1.3210 1.0203 1.0958 0.1424 -0.2767 0.0448 187 ASP L OD2 5841 N N . TYR C 182 ? 0.9378 0.6621 0.8585 0.1589 -0.2394 -0.0376 188 TYR L N 5842 C CA . TYR C 182 ? 0.8995 0.6303 0.8424 0.1559 -0.2205 -0.0493 188 TYR L CA 5843 C C . TYR C 182 ? 0.9451 0.6810 0.9168 0.1755 -0.2258 -0.0595 188 TYR L C 5844 O O . TYR C 182 ? 0.9046 0.6276 0.8791 0.1796 -0.2174 -0.0639 188 TYR L O 5845 C CB . TYR C 182 ? 0.6883 0.4527 0.6518 0.1443 -0.2074 -0.0606 188 TYR L CB 5846 C CG . TYR C 182 ? 0.7437 0.5225 0.7318 0.1411 -0.1879 -0.0686 188 TYR L CG 5847 C CD1 . TYR C 182 ? 0.7345 0.4954 0.7053 0.1318 -0.1724 -0.0640 188 TYR L CD1 5848 C CD2 . TYR C 182 ? 0.7233 0.5390 0.7525 0.1471 -0.1852 -0.0793 188 TYR L CD2 5849 C CE1 . TYR C 182 ? 0.7022 0.4806 0.6923 0.1300 -0.1550 -0.0702 188 TYR L CE1 5850 C CE2 . TYR C 182 ? 0.7067 0.5429 0.7566 0.1442 -0.1663 -0.0833 188 TYR L CE2 5851 C CZ . TYR C 182 ? 0.7292 0.5463 0.7577 0.1364 -0.1515 -0.0789 188 TYR L CZ 5852 O OH . TYR C 182 ? 0.6916 0.5331 0.7376 0.1346 -0.1332 -0.0818 188 TYR L OH 5853 N N . GLU C 183 ? 0.9324 0.6898 0.9252 0.1892 -0.2410 -0.0651 189 GLU L N 5854 C CA . GLU C 183 ? 0.9620 0.7333 0.9861 0.2110 -0.2466 -0.0769 189 GLU L CA 5855 C C . GLU C 183 ? 1.0556 0.7849 1.0652 0.2281 -0.2642 -0.0704 189 GLU L C 5856 O O . GLU C 183 ? 1.0955 0.8300 1.1284 0.2507 -0.2721 -0.0820 189 GLU L O 5857 C CB . GLU C 183 ? 0.9639 0.7768 1.0197 0.2194 -0.2580 -0.0848 189 GLU L CB 5858 C CG . GLU C 183 ? 0.9381 0.7917 1.0186 0.2024 -0.2436 -0.0921 189 GLU L CG 5859 C CD . GLU C 183 ? 1.0186 0.9100 1.1296 0.2066 -0.2589 -0.0988 189 GLU L CD 5860 O OE1 . GLU C 183 ? 1.0604 0.9930 1.2104 0.1989 -0.2498 -0.1066 189 GLU L OE1 5861 O OE2 . GLU C 183 ? 1.0600 0.9415 1.1573 0.2167 -0.2809 -0.0946 189 GLU L OE2 5862 N N . LYS C 184 ? 1.0430 0.7320 1.0162 0.2176 -0.2711 -0.0513 190 LYS L N 5863 C CA . LYS C 184 ? 1.0976 0.7425 1.0574 0.2267 -0.2879 -0.0397 190 LYS L CA 5864 C C . LYS C 184 ? 1.0763 0.6990 1.0337 0.2212 -0.2746 -0.0464 190 LYS L C 5865 O O . LYS C 184 ? 0.9893 0.5912 0.9500 0.2275 -0.2823 -0.0478 190 LYS L O 5866 C CB . LYS C 184 ? 1.1402 0.7618 1.0643 0.2131 -0.2990 -0.0119 190 LYS L CB 5867 C CG . LYS C 184 ? 1.2370 0.8203 1.1473 0.2075 -0.3073 0.0061 190 LYS L CG 5868 C CD . LYS C 184 ? 1.3200 0.9005 1.2532 0.2268 -0.3218 -0.0013 190 LYS L CD 5869 C CE . LYS C 184 ? 1.3768 0.9165 1.3067 0.2220 -0.3275 0.0078 190 LYS L CE 5870 N NZ . LYS C 184 ? 1.4372 0.9742 1.3938 0.2439 -0.3383 -0.0095 190 LYS L NZ 5871 N N . HIS C 185 ? 0.8990 0.5277 0.8522 0.2102 -0.2560 -0.0521 191 HIS L N 5872 C CA . HIS C 185 ? 1.0020 0.6123 0.9485 0.2024 -0.2441 -0.0572 191 HIS L CA 5873 C C . HIS C 185 ? 0.9527 0.5940 0.9201 0.2107 -0.2260 -0.0803 191 HIS L C 5874 O O . HIS C 185 ? 0.9589 0.6440 0.9448 0.2104 -0.2148 -0.0868 191 HIS L O 5875 C CB . HIS C 185 ? 1.0437 0.6295 0.9593 0.1782 -0.2380 -0.0378 191 HIS L CB 5876 C CG . HIS C 185 ? 1.0880 0.6499 0.9817 0.1692 -0.2537 -0.0117 191 HIS L CG 5877 N ND1 . HIS C 185 ? 1.1195 0.6512 1.0083 0.1642 -0.2641 0.0003 191 HIS L ND1 5878 C CD2 . HIS C 185 ? 1.1427 0.7103 1.0187 0.1648 -0.2612 0.0055 191 HIS L CD2 5879 C CE1 . HIS C 185 ? 1.1025 0.6237 0.9726 0.1557 -0.2754 0.0266 191 HIS L CE1 5880 N NE2 . HIS C 185 ? 1.1434 0.6880 1.0029 0.1567 -0.2736 0.0297 191 HIS L NE2 5881 N N . LYS C 186 ? 0.8645 0.4957 0.8295 0.2110 -0.2193 -0.0902 192 LYS L N 5882 C CA . LYS C 186 ? 0.9094 0.5732 0.8913 0.2222 -0.2030 -0.1121 192 LYS L CA 5883 C C . LYS C 186 ? 0.8394 0.5006 0.8050 0.2047 -0.1849 -0.1101 192 LYS L C 5884 O O . LYS C 186 ? 0.8076 0.5113 0.7824 0.1956 -0.1645 -0.1110 192 LYS L O 5885 C CB . LYS C 186 ? 0.7704 0.4335 0.7620 0.2405 -0.2095 -0.1303 192 LYS L CB 5886 C CG . LYS C 186 ? 1.1020 0.7623 1.1079 0.2572 -0.2288 -0.1320 192 LYS L CG 5887 C CD . LYS C 186 ? 1.2496 0.9567 1.2829 0.2722 -0.2264 -0.1385 192 LYS L CD 5888 C CE . LYS C 186 ? 1.3328 1.0372 1.3792 0.2886 -0.2466 -0.1393 192 LYS L CE 5889 N NZ . LYS C 186 ? 1.3892 1.0477 1.4135 0.2748 -0.2642 -0.1154 192 LYS L NZ 5890 N N . VAL C 187 ? 0.9264 0.5525 0.8707 0.1915 -0.1884 -0.1028 193 VAL L N 5891 C CA . VAL C 187 ? 0.8411 0.4646 0.7707 0.1770 -0.1733 -0.1029 193 VAL L CA 5892 C C . VAL C 187 ? 0.8483 0.4635 0.7592 0.1521 -0.1667 -0.0808 193 VAL L C 5893 O O . VAL C 187 ? 0.8182 0.4019 0.7130 0.1410 -0.1787 -0.0628 193 VAL L O 5894 C CB . VAL C 187 ? 0.7869 0.3846 0.7075 0.1734 -0.1804 -0.1071 193 VAL L CB 5895 C CG1 . VAL C 187 ? 0.7002 0.2993 0.6067 0.1596 -0.1659 -0.1085 193 VAL L CG1 5896 C CG2 . VAL C 187 ? 0.7641 0.3742 0.7020 0.1983 -0.1873 -0.1312 193 VAL L CG2 5897 N N . TYR C 188 ? 0.7415 0.3947 0.6567 0.1415 -0.1458 -0.0801 194 TYR L N 5898 C CA . TYR C 188 ? 0.7261 0.3802 0.6259 0.1191 -0.1369 -0.0631 194 TYR L CA 5899 C C . TYR C 188 ? 0.8001 0.4583 0.6902 0.1073 -0.1216 -0.0638 194 TYR L C 5900 O O . TYR C 188 ? 0.7663 0.4567 0.6685 0.1097 -0.1064 -0.0723 194 TYR L O 5901 C CB . TYR C 188 ? 0.7183 0.4073 0.6333 0.1161 -0.1297 -0.0614 194 TYR L CB 5902 C CG . TYR C 188 ? 0.7760 0.4602 0.6959 0.1252 -0.1471 -0.0585 194 TYR L CG 5903 C CD1 . TYR C 188 ? 0.7843 0.4801 0.7266 0.1452 -0.1561 -0.0703 194 TYR L CD1 5904 C CD2 . TYR C 188 ? 0.8086 0.4805 0.7098 0.1154 -0.1552 -0.0442 194 TYR L CD2 5905 C CE1 . TYR C 188 ? 0.8528 0.5453 0.7999 0.1545 -0.1736 -0.0672 194 TYR L CE1 5906 C CE2 . TYR C 188 ? 0.7376 0.4079 0.6406 0.1245 -0.1723 -0.0408 194 TYR L CE2 5907 C CZ . TYR C 188 ? 0.8360 0.5149 0.7625 0.1437 -0.1821 -0.0518 194 TYR L CZ 5908 O OH . TYR C 188 ? 0.8929 0.5716 0.8220 0.1538 -0.2006 -0.0479 194 TYR L OH 5909 N N . ALA C 189 ? 0.9304 0.5588 0.7996 0.0942 -0.1261 -0.0527 195 ALA L N 5910 C CA . ALA C 189 ? 0.8716 0.5004 0.7317 0.0843 -0.1156 -0.0543 195 ALA L CA 5911 C C . ALA C 189 ? 0.7669 0.3957 0.6112 0.0637 -0.1084 -0.0364 195 ALA L C 5912 O O . ALA C 189 ? 0.7577 0.3728 0.5915 0.0567 -0.1167 -0.0217 195 ALA L O 5913 C CB . ALA C 189 ? 0.8860 0.4796 0.7407 0.0895 -0.1305 -0.0622 195 ALA L CB 5914 N N . CYS C 190 ? 0.7363 0.3848 0.5790 0.0555 -0.0927 -0.0372 196 CYS L N 5915 C CA . CYS C 190 ? 0.6225 0.2725 0.4513 0.0384 -0.0862 -0.0227 196 CYS L CA 5916 C C . CYS C 190 ? 0.6940 0.3408 0.5160 0.0308 -0.0818 -0.0244 196 CYS L C 5917 O O . CYS C 190 ? 0.7394 0.4029 0.5678 0.0369 -0.0734 -0.0359 196 CYS L O 5918 C CB . CYS C 190 ? 0.7986 0.4773 0.6340 0.0355 -0.0733 -0.0205 196 CYS L CB 5919 S SG . CYS C 190 ? 0.9563 0.6653 0.8057 0.0357 -0.0553 -0.0268 196 CYS L SG 5920 N N . GLU C 191 ? 0.7048 0.3342 0.5140 0.0169 -0.0878 -0.0115 197 GLU L N 5921 C CA . GLU C 191 ? 0.7262 0.3472 0.5308 0.0083 -0.0894 -0.0129 197 GLU L CA 5922 C C . GLU C 191 ? 0.8066 0.4486 0.6043 -0.0062 -0.0771 -0.0010 197 GLU L C 5923 O O . GLU C 191 ? 0.7649 0.4119 0.5558 -0.0152 -0.0758 0.0145 197 GLU L O 5924 C CB . GLU C 191 ? 0.7932 0.3758 0.5948 0.0020 -0.1096 -0.0063 197 GLU L CB 5925 C CG . GLU C 191 ? 0.8605 0.4320 0.6603 -0.0104 -0.1149 -0.0067 197 GLU L CG 5926 C CD . GLU C 191 ? 1.0063 0.5421 0.8062 -0.0250 -0.1345 0.0100 197 GLU L CD 5927 O OE1 . GLU C 191 ? 1.0521 0.5610 0.8610 -0.0216 -0.1513 -0.0011 197 GLU L OE1 5928 O OE2 . GLU C 191 ? 1.1224 0.6650 0.9162 -0.0393 -0.1323 0.0347 197 GLU L OE2 5929 N N . VAL C 192 ? 0.6778 0.3358 0.4769 -0.0067 -0.0685 -0.0088 198 VAL L N 5930 C CA . VAL C 192 ? 0.6397 0.3207 0.4352 -0.0172 -0.0569 0.0006 198 VAL L CA 5931 C C . VAL C 192 ? 0.6671 0.3439 0.4588 -0.0291 -0.0620 0.0023 198 VAL L C 5932 O O . VAL C 192 ? 0.7224 0.3942 0.5152 -0.0241 -0.0667 -0.0117 198 VAL L O 5933 C CB . VAL C 192 ? 0.5873 0.2963 0.3899 -0.0088 -0.0421 -0.0056 198 VAL L CB 5934 C CG1 . VAL C 192 ? 0.6266 0.3567 0.4271 -0.0172 -0.0324 0.0032 198 VAL L CG1 5935 C CG2 . VAL C 192 ? 0.6051 0.3197 0.4164 -0.0003 -0.0385 -0.0064 198 VAL L CG2 5936 N N . THR C 193 ? 0.6253 0.3082 0.4132 -0.0441 -0.0615 0.0187 199 THR L N 5937 C CA . THR C 193 ? 0.7205 0.4076 0.5089 -0.0578 -0.0652 0.0225 199 THR L CA 5938 C C . THR C 193 ? 0.6933 0.4168 0.4816 -0.0604 -0.0501 0.0283 199 THR L C 5939 O O . THR C 193 ? 0.7131 0.4536 0.4995 -0.0596 -0.0412 0.0375 199 THR L O 5940 C CB . THR C 193 ? 0.6979 0.3674 0.4869 -0.0761 -0.0784 0.0402 199 THR L CB 5941 O OG1 . THR C 193 ? 1.1329 0.8262 0.9172 -0.0827 -0.0690 0.0592 199 THR L OG1 5942 C CG2 . THR C 193 ? 0.5920 0.2220 0.3824 -0.0722 -0.0950 0.0380 199 THR L CG2 5943 N N . HIS C 194 ? 0.6247 0.3607 0.4148 -0.0614 -0.0487 0.0214 200 HIS L N 5944 C CA . HIS C 194 ? 0.6321 0.4017 0.4240 -0.0616 -0.0363 0.0263 200 HIS L CA 5945 C C . HIS C 194 ? 0.6921 0.4712 0.4854 -0.0683 -0.0416 0.0217 200 HIS L C 5946 O O . HIS C 194 ? 0.6602 0.4233 0.4514 -0.0655 -0.0516 0.0078 200 HIS L O 5947 C CB . HIS C 194 ? 0.6046 0.3867 0.3986 -0.0457 -0.0242 0.0205 200 HIS L CB 5948 C CG . HIS C 194 ? 0.6556 0.4668 0.4541 -0.0439 -0.0135 0.0270 200 HIS L CG 5949 N ND1 . HIS C 194 ? 0.5617 0.3909 0.3620 -0.0405 -0.0099 0.0250 200 HIS L ND1 5950 C CD2 . HIS C 194 ? 0.5588 0.3848 0.3603 -0.0427 -0.0069 0.0343 200 HIS L CD2 5951 C CE1 . HIS C 194 ? 0.5697 0.4202 0.3760 -0.0379 -0.0023 0.0325 200 HIS L CE1 5952 N NE2 . HIS C 194 ? 0.6177 0.4667 0.4253 -0.0383 -0.0004 0.0363 200 HIS L NE2 5953 N N . GLN C 195 ? 0.6843 0.4918 0.4814 -0.0754 -0.0360 0.0313 201 GLN L N 5954 C CA . GLN C 195 ? 0.7541 0.5757 0.5542 -0.0832 -0.0422 0.0283 201 GLN L CA 5955 C C . GLN C 195 ? 0.6499 0.4763 0.4441 -0.0697 -0.0418 0.0128 201 GLN L C 5956 O O . GLN C 195 ? 0.7251 0.5512 0.5176 -0.0734 -0.0529 0.0024 201 GLN L O 5957 C CB . GLN C 195 ? 0.8561 0.7148 0.6630 -0.0884 -0.0337 0.0413 201 GLN L CB 5958 C CG . GLN C 195 ? 0.9154 0.7948 0.7274 -0.0963 -0.0404 0.0392 201 GLN L CG 5959 C CD . GLN C 195 ? 0.8805 0.8005 0.7017 -0.0987 -0.0318 0.0517 201 GLN L CD 5960 O OE1 . GLN C 195 ? 0.8731 0.8055 0.6968 -0.0968 -0.0223 0.0616 201 GLN L OE1 5961 N NE2 . GLN C 195 ? 0.8218 0.7657 0.6477 -0.1009 -0.0359 0.0495 201 GLN L NE2 5962 N N . GLY C 196 ? 0.6205 0.4534 0.4125 -0.0546 -0.0298 0.0117 202 GLY L N 5963 C CA . GLY C 196 ? 0.6361 0.4816 0.4226 -0.0417 -0.0266 0.0021 202 GLY L CA 5964 C C . GLY C 196 ? 0.7128 0.5389 0.4924 -0.0343 -0.0352 -0.0158 202 GLY L C 5965 O O . GLY C 196 ? 0.6525 0.4949 0.4251 -0.0228 -0.0333 -0.0258 202 GLY L O 5966 N N . LEU C 197 ? 0.6480 0.4419 0.4295 -0.0393 -0.0449 -0.0195 203 LEU L N 5967 C CA . LEU C 197 ? 0.6405 0.4123 0.4179 -0.0300 -0.0556 -0.0387 203 LEU L CA 5968 C C . LEU C 197 ? 0.6617 0.4097 0.4395 -0.0402 -0.0766 -0.0498 203 LEU L C 5969 O O . LEU C 197 ? 0.7800 0.5128 0.5652 -0.0581 -0.0843 -0.0369 203 LEU L O 5970 C CB . LEU C 197 ? 0.6784 0.4272 0.4602 -0.0255 -0.0547 -0.0360 203 LEU L CB 5971 C CG . LEU C 197 ? 0.6791 0.4461 0.4651 -0.0165 -0.0378 -0.0271 203 LEU L CG 5972 C CD1 . LEU C 197 ? 0.6778 0.4215 0.4685 -0.0156 -0.0404 -0.0234 203 LEU L CD1 5973 C CD2 . LEU C 197 ? 0.6756 0.4662 0.4598 -0.0005 -0.0302 -0.0375 203 LEU L CD2 5974 N N . SER C 198 ? 0.6577 0.4050 0.4288 -0.0290 -0.0867 -0.0737 204 SER L N 5975 C CA . SER C 198 ? 0.6714 0.3907 0.4454 -0.0366 -0.1111 -0.0897 204 SER L CA 5976 C C . SER C 198 ? 0.6757 0.3473 0.4596 -0.0433 -0.1256 -0.0868 204 SER L C 5977 O O . SER C 198 ? 0.7633 0.4066 0.5574 -0.0608 -0.1448 -0.0837 204 SER L O 5980 N N . SER C 199 ? 0.7525 0.4169 0.5353 -0.0298 -0.1175 -0.0862 205 SER L N 5981 C CA . SER C 199 ? 0.7604 0.3821 0.5511 -0.0316 -0.1309 -0.0831 205 SER L CA 5982 C C . SER C 199 ? 0.7205 0.3528 0.5106 -0.0258 -0.1132 -0.0673 205 SER L C 5983 O O . SER C 199 ? 0.7340 0.4006 0.5195 -0.0149 -0.0943 -0.0677 205 SER L O 5984 C CB . SER C 199 ? 0.6970 0.2921 0.4880 -0.0126 -0.1493 -0.1142 205 SER L CB 5985 O OG . SER C 199 ? 1.3314 0.9227 1.1211 -0.0140 -0.1656 -0.1352 205 SER L OG 5986 N N . PRO C 200 ? 0.7184 0.3224 0.5141 -0.0340 -0.1205 -0.0518 206 PRO L N 5987 C CA . PRO C 200 ? 0.6669 0.2803 0.4618 -0.0266 -0.1070 -0.0407 206 PRO L CA 5988 C C . PRO C 200 ? 0.6395 0.2626 0.4347 -0.0024 -0.1016 -0.0606 206 PRO L C 5989 O O . PRO C 200 ? 0.6569 0.2614 0.4540 0.0109 -0.1154 -0.0818 206 PRO L O 5990 C CB . PRO C 200 ? 0.6770 0.2541 0.4764 -0.0364 -0.1222 -0.0253 206 PRO L CB 5991 C CG . PRO C 200 ? 0.7997 0.3622 0.6036 -0.0583 -0.1355 -0.0150 206 PRO L CG 5992 C CD . PRO C 200 ? 0.7266 0.2931 0.5306 -0.0526 -0.1412 -0.0397 206 PRO L CD 5993 N N . VAL C 201 ? 0.6144 0.2684 0.4100 0.0036 -0.0825 -0.0541 207 VAL L N 5994 C CA . VAL C 201 ? 0.6775 0.3508 0.4772 0.0236 -0.0746 -0.0679 207 VAL L CA 5995 C C . VAL C 201 ? 0.7148 0.3786 0.5224 0.0291 -0.0752 -0.0618 207 VAL L C 5996 O O . VAL C 201 ? 0.6971 0.3596 0.5048 0.0187 -0.0712 -0.0442 207 VAL L O 5997 C CB . VAL C 201 ? 0.7860 0.5030 0.5855 0.0254 -0.0544 -0.0633 207 VAL L CB 5998 C CG1 . VAL C 201 ? 0.7378 0.4798 0.5470 0.0411 -0.0440 -0.0682 207 VAL L CG1 5999 C CG2 . VAL C 201 ? 0.7336 0.4658 0.5240 0.0260 -0.0552 -0.0739 207 VAL L CG2 6000 N N . THR C 202 ? 0.7369 0.3972 0.5510 0.0474 -0.0812 -0.0781 208 THR L N 6001 C CA . THR C 202 ? 0.6980 0.3516 0.5215 0.0549 -0.0841 -0.0747 208 THR L CA 6002 C C . THR C 202 ? 0.7355 0.4273 0.5713 0.0705 -0.0709 -0.0832 208 THR L C 6003 O O . THR C 202 ? 0.7866 0.4974 0.6242 0.0857 -0.0690 -0.1009 208 THR L O 6004 C CB . THR C 202 ? 0.7539 0.3663 0.5794 0.0632 -0.1068 -0.0838 208 THR L CB 6005 O OG1 . THR C 202 ? 0.8226 0.4005 0.6405 0.0450 -0.1197 -0.0705 208 THR L OG1 6006 C CG2 . THR C 202 ? 0.7831 0.3914 0.6182 0.0720 -0.1108 -0.0792 208 THR L CG2 6007 N N . LYS C 203 ? 0.6718 0.3783 0.5170 0.0665 -0.0624 -0.0704 209 LYS L N 6008 C CA . LYS C 203 ? 0.6333 0.3743 0.4966 0.0783 -0.0528 -0.0746 209 LYS L CA 6009 C C . LYS C 203 ? 0.7181 0.4450 0.5920 0.0863 -0.0643 -0.0762 209 LYS L C 6010 O O . LYS C 203 ? 0.6613 0.3657 0.5302 0.0768 -0.0717 -0.0647 209 LYS L O 6011 C CB . LYS C 203 ? 0.6019 0.3717 0.4738 0.0670 -0.0365 -0.0595 209 LYS L CB 6012 C CG . LYS C 203 ? 0.7571 0.5530 0.6237 0.0641 -0.0236 -0.0574 209 LYS L CG 6013 C CD . LYS C 203 ? 0.6103 0.4408 0.4831 0.0808 -0.0177 -0.0704 209 LYS L CD 6014 C CE . LYS C 203 ? 0.8871 0.7529 0.7551 0.0781 -0.0033 -0.0639 209 LYS L CE 6015 N NZ . LYS C 203 ? 0.8664 0.7134 0.7119 0.0722 -0.0085 -0.0678 209 LYS L NZ 6016 N N . SER C 204 ? 0.6417 0.3861 0.5297 0.1051 -0.0661 -0.0905 210 SER L N 6017 C CA . SER C 204 ? 0.7107 0.4432 0.6102 0.1155 -0.0792 -0.0935 210 SER L CA 6018 C C . SER C 204 ? 0.6757 0.4522 0.6006 0.1309 -0.0719 -0.1019 210 SER L C 6019 O O . SER C 204 ? 0.6206 0.4373 0.5527 0.1361 -0.0574 -0.1069 210 SER L O 6020 C CB . SER C 204 ? 0.6969 0.3871 0.5871 0.1265 -0.0999 -0.1049 210 SER L CB 6021 O OG . SER C 204 ? 0.7955 0.4978 0.6880 0.1453 -0.1006 -0.1276 210 SER L OG 6022 N N . PHE C 205 ? 0.6754 0.4484 0.6143 0.1379 -0.0823 -0.1017 211 PHE L N 6023 C CA . PHE C 205 ? 0.6902 0.5056 0.6571 0.1540 -0.0787 -0.1104 211 PHE L CA 6024 C C . PHE C 205 ? 0.7531 0.5469 0.7269 0.1705 -0.0991 -0.1186 211 PHE L C 6025 O O . PHE C 205 ? 0.7454 0.4978 0.7058 0.1634 -0.1138 -0.1095 211 PHE L O 6026 C CB . PHE C 205 ? 0.6027 0.4542 0.5915 0.1398 -0.0664 -0.0959 211 PHE L CB 6027 C CG . PHE C 205 ? 0.6753 0.5031 0.6642 0.1284 -0.0776 -0.0854 211 PHE L CG 6028 C CD1 . PHE C 205 ? 0.6902 0.5243 0.6974 0.1386 -0.0903 -0.0893 211 PHE L CD1 6029 C CD2 . PHE C 205 ? 0.6841 0.4885 0.6550 0.1094 -0.0759 -0.0731 211 PHE L CD2 6030 C CE1 . PHE C 205 ? 0.7330 0.5495 0.7374 0.1296 -0.1017 -0.0813 211 PHE L CE1 6031 C CE2 . PHE C 205 ? 0.6818 0.4706 0.6502 0.1017 -0.0862 -0.0663 211 PHE L CE2 6032 C CZ . PHE C 205 ? 0.7289 0.5235 0.7127 0.1116 -0.0994 -0.0706 211 PHE L CZ 6033 N N . ASN C 206 ? 0.7576 0.5836 0.7527 0.1933 -0.0999 -0.1343 212 ASN L N 6034 C CA . ASN C 206 ? 0.8443 0.6574 0.8519 0.2113 -0.1193 -0.1416 212 ASN L CA 6035 C C . ASN C 206 ? 0.7822 0.6342 0.8183 0.2080 -0.1163 -0.1334 212 ASN L C 6036 O O . ASN C 206 ? 0.8109 0.7174 0.8700 0.2055 -0.0992 -0.1322 212 ASN L O 6037 C CB . ASN C 206 ? 0.8179 0.6418 0.8337 0.2425 -0.1255 -0.1675 212 ASN L CB 6038 C CG . ASN C 206 ? 0.9721 0.7481 0.9624 0.2472 -0.1359 -0.1792 212 ASN L CG 6039 O OD1 . ASN C 206 ? 1.0035 0.7282 0.9725 0.2293 -0.1453 -0.1655 212 ASN L OD1 6040 N ND2 . ASN C 206 ? 1.1451 0.9407 1.1385 0.2715 -0.1349 -0.2051 212 ASN L ND2 6041 N N . ARG C 207 ? 0.7600 0.5857 0.7956 0.2069 -0.1341 -0.1262 213 ARG L N 6042 C CA . ARG C 207 ? 0.8162 0.6739 0.8778 0.2024 -0.1357 -0.1197 213 ARG L CA 6043 C C . ARG C 207 ? 0.8501 0.7614 0.9488 0.2236 -0.1337 -0.1329 213 ARG L C 6044 O O . ARG C 207 ? 0.9057 0.8126 1.0074 0.2495 -0.1439 -0.1485 213 ARG L O 6045 C CB . ARG C 207 ? 0.9219 0.7418 0.9709 0.2010 -0.1578 -0.1113 213 ARG L CB 6046 C CG . ARG C 207 ? 0.8854 0.7334 0.9556 0.1922 -0.1616 -0.1052 213 ARG L CG 6047 C CD . ARG C 207 ? 0.9039 0.7248 0.9632 0.1988 -0.1858 -0.1002 213 ARG L CD 6048 N NE . ARG C 207 ? 0.9359 0.7726 1.0192 0.2243 -0.2002 -0.1106 213 ARG L NE 6049 C CZ . ARG C 207 ? 1.0168 0.8197 1.0894 0.2443 -0.2162 -0.1143 213 ARG L CZ 6050 N NH1 . ARG C 207 ? 1.0419 0.7930 1.0814 0.2387 -0.2203 -0.1066 213 ARG L NH1 6051 N NH2 . ARG C 207 ? 1.1201 0.9411 1.2181 0.2696 -0.2297 -0.1251 213 ARG L NH2 6052 N N . GLY C 208 ? 0.9116 0.8747 1.0412 0.2127 -0.1215 -0.1264 214 GLY L N 6053 C CA . GLY C 208 ? 1.0521 1.0764 1.2223 0.2294 -0.1184 -0.1350 214 GLY L CA 6054 C C . GLY C 208 ? 1.1806 1.2592 1.3641 0.2343 -0.0949 -0.1390 214 GLY L C 6055 O O . GLY C 208 ? 1.2563 1.3964 1.4757 0.2271 -0.0818 -0.1311 214 GLY L O 6056 N N . GLU C 209 ? 1.1832 1.2417 1.3386 0.2462 -0.0905 -0.1505 215 GLU L N 6057 C CA . GLU C 209 ? 1.2299 1.3428 1.3915 0.2550 -0.0691 -0.1570 215 GLU L CA 6058 C C . GLU C 209 ? 1.2403 1.3623 1.3930 0.2265 -0.0495 -0.1368 215 GLU L C 6059 O O . GLU C 209 ? 1.2283 1.2969 1.3543 0.2073 -0.0535 -0.1271 215 GLU L O 6060 C CB . GLU C 209 ? 1.3006 1.3896 1.4365 0.2825 -0.0756 -0.1823 215 GLU L CB 6061 C CG . GLU C 209 ? 1.3218 1.3323 1.4165 0.2716 -0.0867 -0.1814 215 GLU L CG 6062 C CD . GLU C 209 ? 1.3382 1.3184 1.4140 0.2989 -0.0996 -0.2084 215 GLU L CD 6063 O OE1 . GLU C 209 ? 1.2551 1.2239 1.3425 0.3247 -0.1181 -0.2248 215 GLU L OE1 6064 O OE2 . GLU C 209 ? 1.4203 1.3872 1.4713 0.2954 -0.0933 -0.2142 215 GLU L OE2 6065 N N . CYS C 210 ? 1.2862 1.4793 1.4627 0.2244 -0.0285 -0.1290 216 CYS L N 6066 C CA . CYS C 210 ? 1.3721 1.5797 1.5448 0.1986 -0.0102 -0.1067 216 CYS L CA 6067 C C . CYS C 210 ? 1.4700 1.6993 1.6175 0.2110 0.0045 -0.1155 216 CYS L C 6068 O O . CYS C 210 ? 1.5244 1.7496 1.6556 0.1933 0.0162 -0.1005 216 CYS L O 6069 C CB . CYS C 210 ? 1.3718 1.6442 1.5916 0.1820 0.0021 -0.0843 216 CYS L CB 6070 S SG . CYS C 210 ? 1.9217 2.2031 2.1447 0.1470 0.0195 -0.0512 216 CYS L SG 6071 O OXT . CYS C 210 ? 1.4845 1.7367 1.6270 0.2407 0.0037 -0.1395 216 CYS L OXT # 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 VAL 1 44 44 VAL VAL G . n A 1 2 TRP 2 45 45 TRP TRP G . n A 1 3 LYS 3 46 46 LYS LYS G . n A 1 4 ASP 4 47 47 ASP ASP G . n A 1 5 ALA 5 48 48 ALA ALA G . n A 1 6 ASP 6 49 49 ASP ASP G . n A 1 7 THR 7 50 50 THR THR G . n A 1 8 THR 8 51 51 THR THR G . n A 1 9 LEU 9 52 52 LEU LEU G . n A 1 10 PHE 10 53 53 PHE PHE G . n A 1 11 CYS 11 54 54 CYS CYS G . n A 1 12 ALA 12 55 55 ALA ALA G . n A 1 13 SER 13 56 56 SER SER G . n A 1 14 ASP 14 57 57 ASP ASP G . n A 1 15 ALA 15 58 58 ALA ALA G . n A 1 16 LYS 16 59 59 LYS LYS G . n A 1 17 ALA 17 60 60 ALA ALA G . n A 1 18 HIS 18 61 61 HIS HIS G . n A 1 19 GLU 19 62 62 GLU GLU G . n A 1 20 THR 20 63 63 THR THR G . n A 1 21 GLU 21 64 64 GLU GLU G . n A 1 22 VAL 22 65 65 VAL VAL G . n A 1 23 HIS 23 66 66 HIS HIS G . n A 1 24 ASN 24 67 67 ASN ASN G . n A 1 25 VAL 25 68 68 VAL VAL G . n A 1 26 TRP 26 69 69 TRP TRP G . n A 1 27 ALA 27 70 70 ALA ALA G . n A 1 28 THR 28 71 71 THR THR G . n A 1 29 HIS 29 72 72 HIS HIS G . n A 1 30 ALA 30 73 73 ALA ALA G . n A 1 31 CYS 31 74 74 CYS CYS G . n A 1 32 VAL 32 75 75 VAL VAL G . n A 1 33 PRO 33 76 76 PRO PRO G . n A 1 34 THR 34 77 77 THR THR G . n A 1 35 ASP 35 78 78 ASP ASP G . n A 1 36 PRO 36 79 79 PRO PRO G . n A 1 37 ASN 37 80 80 ASN ASN G . n A 1 38 PRO 38 81 81 PRO PRO G . n A 1 39 GLN 39 82 82 GLN GLN G . n A 1 40 GLU 40 83 83 GLU GLU G . n A 1 41 ILE 41 84 84 ILE ILE G . n A 1 42 HIS 42 85 85 HIS HIS G . n A 1 43 LEU 43 86 86 LEU LEU G . n A 1 44 GLU 44 87 87 GLU GLU G . n A 1 45 ASN 45 88 88 ASN ASN G . n A 1 46 VAL 46 89 89 VAL VAL G . n A 1 47 THR 47 90 90 THR THR G . n A 1 48 GLU 48 91 91 GLU GLU G . n A 1 49 ASN 49 92 92 ASN ASN G . n A 1 50 PHE 50 93 93 PHE PHE G . n A 1 51 ASN 51 94 94 ASN ASN G . n A 1 52 MET 52 95 95 MET MET G . n A 1 53 TRP 53 96 96 TRP TRP G . n A 1 54 LYS 54 97 97 LYS LYS G . n A 1 55 ASN 55 98 98 ASN ASN G . n A 1 56 ASN 56 99 99 ASN ASN G . n A 1 57 MET 57 100 100 MET MET G . n A 1 58 VAL 58 101 101 VAL VAL G . n A 1 59 GLU 59 102 102 GLU GLU G . n A 1 60 GLN 60 103 103 GLN GLN G . n A 1 61 MET 61 104 104 MET MET G . n A 1 62 GLN 62 105 105 GLN GLN G . n A 1 63 GLU 63 106 106 GLU GLU G . n A 1 64 ASP 64 107 107 ASP ASP G . n A 1 65 VAL 65 108 108 VAL VAL G . n A 1 66 ILE 66 109 109 ILE ILE G . n A 1 67 SER 67 110 110 SER SER G . n A 1 68 LEU 68 111 111 LEU LEU G . n A 1 69 TRP 69 112 112 TRP TRP G . n A 1 70 ASP 70 113 113 ASP ASP G . n A 1 71 GLN 71 114 114 GLN GLN G . n A 1 72 SER 72 115 115 SER SER G . n A 1 73 LEU 73 116 116 LEU LEU G . n A 1 74 GLN 74 117 117 GLN GLN G . n A 1 75 PRO 75 118 118 PRO PRO G . n A 1 76 CYS 76 119 119 CYS CYS G . n A 1 77 VAL 77 120 120 VAL VAL G . n A 1 78 LYS 78 121 121 LYS LYS G . n A 1 79 LEU 79 122 122 LEU LEU G . n A 1 80 THR 80 123 123 THR THR G . n A 1 81 GLY 81 124 124 GLY GLY G . n A 1 82 GLY 82 198 198 GLY GLY G . n A 1 83 SER 83 199 199 SER SER G . n A 1 84 VAL 84 200 200 VAL VAL G . n A 1 85 ILE 85 201 201 ILE ILE G . n A 1 86 LYS 86 202 202 LYS LYS G . n A 1 87 GLN 87 203 203 GLN GLN G . n A 1 88 ALA 88 204 204 ALA ALA G . n A 1 89 CYS 89 205 205 CYS CYS G . n A 1 90 PRO 90 206 206 PRO PRO G . n A 1 91 LYS 91 207 207 LYS LYS G . n A 1 92 ILE 92 208 208 ILE ILE G . n A 1 93 SER 93 209 209 SER SER G . n A 1 94 PHE 94 210 210 PHE PHE G . n A 1 95 ASP 95 211 211 ASP ASP G . n A 1 96 PRO 96 212 212 PRO PRO G . n A 1 97 ILE 97 213 213 ILE ILE G . n A 1 98 PRO 98 214 214 PRO PRO G . n A 1 99 ILE 99 215 215 ILE ILE G . n A 1 100 HIS 100 216 216 HIS HIS G . n A 1 101 TYR 101 217 217 TYR TYR G . n A 1 102 CYS 102 218 218 CYS CYS G . n A 1 103 THR 103 219 219 THR THR G . n A 1 104 PRO 104 220 220 PRO PRO G . n A 1 105 ALA 105 221 221 ALA ALA G . n A 1 106 GLY 106 222 222 GLY GLY G . n A 1 107 TYR 107 223 223 TYR TYR G . n A 1 108 VAL 108 224 224 VAL VAL G . n A 1 109 ILE 109 225 225 ILE ILE G . n A 1 110 LEU 110 226 226 LEU LEU G . n A 1 111 LYS 111 227 227 LYS LYS G . n A 1 112 CYS 112 228 228 CYS CYS G . n A 1 113 ASN 113 229 229 ASN ASN G . n A 1 114 ASP 114 230 230 ASP ASP G . n A 1 115 LYS 115 231 231 LYS LYS G . n A 1 116 ASN 116 232 232 ASN ASN G . n A 1 117 PHE 117 233 233 PHE PHE G . n A 1 118 ASN 118 234 234 ASN ASN G . n A 1 119 GLY 119 235 235 GLY GLY G . n A 1 120 THR 120 236 236 THR THR G . n A 1 121 GLY 121 237 237 GLY GLY G . n A 1 122 PRO 122 238 238 PRO PRO G . n A 1 123 CYS 123 239 239 CYS CYS G . n A 1 124 LYS 124 240 240 LYS LYS G . n A 1 125 ASN 125 241 241 ASN ASN G . n A 1 126 VAL 126 242 242 VAL VAL G . n A 1 127 SER 127 243 243 SER SER G . n A 1 128 SER 128 244 244 SER SER G . n A 1 129 VAL 129 245 245 VAL VAL G . n A 1 130 GLN 130 246 246 GLN GLN G . n A 1 131 CYS 131 247 247 CYS CYS G . n A 1 132 THR 132 248 248 THR THR G . n A 1 133 HIS 133 249 249 HIS HIS G . n A 1 134 GLY 134 250 250 GLY GLY G . n A 1 135 ILE 135 251 251 ILE ILE G . n A 1 136 LYS 136 252 252 LYS LYS G . n A 1 137 PRO 137 253 253 PRO PRO G . n A 1 138 VAL 138 254 254 VAL VAL G . n A 1 139 VAL 139 255 255 VAL VAL G . n A 1 140 SER 140 256 256 SER SER G . n A 1 141 THR 141 257 257 THR THR G . n A 1 142 GLN 142 258 258 GLN GLN G . n A 1 143 LEU 143 259 259 LEU LEU G . n A 1 144 LEU 144 260 260 LEU LEU G . n A 1 145 LEU 145 261 261 LEU LEU G . n A 1 146 ASN 146 262 262 ASN ASN G . n A 1 147 GLY 147 263 263 GLY GLY G . n A 1 148 SER 148 264 264 SER SER G . n A 1 149 LEU 149 265 265 LEU LEU G . n A 1 150 ALA 150 266 266 ALA ALA G . n A 1 151 GLU 151 267 267 GLU GLU G . n A 1 152 GLU 152 268 268 GLU GLU G . n A 1 153 GLU 153 269 269 GLU GLU G . n A 1 154 ILE 154 270 270 ILE ILE G . n A 1 155 ILE 155 271 271 ILE ILE G . n A 1 156 ILE 156 272 272 ILE ILE G . n A 1 157 ARG 157 273 273 ARG ARG G . n A 1 158 SER 158 274 274 SER SER G . n A 1 159 GLU 159 275 275 GLU GLU G . n A 1 160 ASN 160 276 276 ASN ASN G . n A 1 161 LEU 161 277 277 LEU LEU G . n A 1 162 THR 162 278 278 THR THR G . n A 1 163 ASN 163 279 279 ASN ASN G . n A 1 164 ASN 164 280 280 ASN ASN G . n A 1 165 ALA 165 281 281 ALA ALA G . n A 1 166 LYS 166 282 282 LYS LYS G . n A 1 167 THR 167 283 283 THR THR G . n A 1 168 ILE 168 284 284 ILE ILE G . n A 1 169 ILE 169 285 285 ILE ILE G . n A 1 170 VAL 170 286 286 VAL VAL G . n A 1 171 HIS 171 287 287 HIS HIS G . n A 1 172 LEU 172 288 288 LEU LEU G . n A 1 173 ASN 173 289 289 ASN ASN G . n A 1 174 LYS 174 290 290 LYS LYS G . n A 1 175 SER 175 291 291 SER SER G . n A 1 176 VAL 176 292 292 VAL VAL G . n A 1 177 GLU 177 293 293 GLU GLU G . n A 1 178 ILE 178 294 294 ILE ILE G . n A 1 179 ASN 179 295 295 ASN ASN G . n A 1 180 CYS 180 296 296 CYS CYS G . n A 1 181 THR 181 297 297 THR THR G . n A 1 182 ARG 182 298 298 ARG ARG G . n A 1 183 PRO 183 299 299 PRO PRO G . n A 1 184 SER 184 300 300 SER SER G . n A 1 185 ASN 185 301 301 ASN ASN G . n A 1 186 GLY 186 318 ? ? ? G . n A 1 187 GLY 187 319 ? ? ? G . n A 1 188 SER 188 320 ? ? ? G . n A 1 189 GLY 189 321 ? ? ? G . n A 1 190 SER 190 322 ? ? ? G . n A 1 191 GLY 191 323 ? ? ? G . n A 1 192 GLY 192 324 ? ? ? G . n A 1 193 ASP 193 325 325 ASP ASP G . n A 1 194 ILE 194 326 326 ILE ILE G . n A 1 195 ARG 195 327 327 ARG ARG G . n A 1 196 LYS 196 328 328 LYS LYS G . n A 1 197 ALA 197 329 329 ALA ALA G . n A 1 198 TYR 198 330 330 TYR TYR G . n A 1 199 CYS 199 331 331 CYS CYS G . n A 1 200 GLU 200 332 332 GLU GLU G . n A 1 201 ILE 201 333 333 ILE ILE G . n A 1 202 ASN 202 334 334 ASN ASN G . n A 1 203 GLY 203 335 335 GLY GLY G . n A 1 204 THR 204 336 336 THR THR G . n A 1 205 LYS 205 337 337 LYS LYS G . n A 1 206 TRP 206 338 338 TRP TRP G . n A 1 207 ASN 207 339 339 ASN ASN G . n A 1 208 LYS 208 340 340 LYS LYS G . n A 1 209 VAL 209 341 341 VAL VAL G . n A 1 210 LEU 210 342 342 LEU LEU G . n A 1 211 LYS 211 343 343 LYS LYS G . n A 1 212 GLN 212 344 344 GLN GLN G . n A 1 213 VAL 213 345 345 VAL VAL G . n A 1 214 THR 214 346 346 THR THR G . n A 1 215 GLU 215 347 347 GLU GLU G . n A 1 216 LYS 216 348 348 LYS LYS G . n A 1 217 LEU 217 349 349 LEU LEU G . n A 1 218 LYS 218 350 350 LYS LYS G . n A 1 219 GLU 219 351 351 GLU GLU G . n A 1 220 HIS 220 352 352 HIS HIS G . n A 1 221 PHE 221 353 353 PHE PHE G . n A 1 222 ASN 222 354 354 ASN ASN G . n A 1 223 ASN 223 355 355 ASN ASN G . n A 1 224 LYS 224 357 357 LYS LYS G . n A 1 225 THR 225 358 358 THR THR G . n A 1 226 ILE 226 359 359 ILE ILE G . n A 1 227 ILE 227 360 360 ILE ILE G . n A 1 228 PHE 228 361 361 PHE PHE G . n A 1 229 GLN 229 362 362 GLN GLN G . n A 1 230 PRO 230 363 363 PRO PRO G . n A 1 231 PRO 231 364 364 PRO PRO G . n A 1 232 SER 232 365 365 SER SER G . n A 1 233 GLY 233 366 366 GLY GLY G . n A 1 234 GLY 234 367 367 GLY GLY G . n A 1 235 ASP 235 368 368 ASP ASP G . n A 1 236 LEU 236 369 369 LEU LEU G . n A 1 237 GLU 237 370 370 GLU GLU G . n A 1 238 ILE 238 371 371 ILE ILE G . n A 1 239 THR 239 372 372 THR THR G . n A 1 240 MET 240 373 373 MET MET G . n A 1 241 HIS 241 374 374 HIS HIS G . n A 1 242 HIS 242 375 375 HIS HIS G . n A 1 243 PHE 243 376 376 PHE PHE G . n A 1 244 ASN 244 377 377 ASN ASN G . n A 1 245 CYS 245 378 378 CYS CYS G . n A 1 246 ARG 246 379 379 ARG ARG G . n A 1 247 GLY 247 380 380 GLY GLY G . n A 1 248 GLU 248 381 381 GLU GLU G . n A 1 249 PHE 249 382 382 PHE PHE G . n A 1 250 PHE 250 383 383 PHE PHE G . n A 1 251 TYR 251 384 384 TYR TYR G . n A 1 252 CYS 252 385 385 CYS CYS G . n A 1 253 ASN 253 386 386 ASN ASN G . n A 1 254 THR 254 387 387 THR THR G . n A 1 255 THR 255 388 388 THR THR G . n A 1 256 GLN 256 389 389 GLN GLN G . n A 1 257 LEU 257 390 390 LEU LEU G . n A 1 258 PHE 258 391 391 PHE PHE G . n A 1 259 ASN 259 392 392 ASN ASN G . n A 1 260 ASN 260 393 393 ASN ASN G . n A 1 261 THR 261 394 394 THR THR G . n A 1 262 CYS 262 395 395 CYS CYS G . n A 1 263 ILE 263 396 396 ILE ILE G . n A 1 264 GLY 264 397 397 GLY GLY G . n A 1 265 ASN 265 404 ? ? ? G . n A 1 266 GLU 266 405 ? ? ? G . n A 1 267 THR 267 406 406 THR ALA G . n A 1 268 MET 268 407 407 MET ALA G . n A 1 269 LYS 269 408 408 LYS LYS G . n A 1 270 GLY 270 409 409 GLY GLY G . n A 1 271 CYS 271 410 410 CYS CYS G . n A 1 272 ASN 272 411 411 ASN ASN G . n A 1 273 GLY 273 412 412 GLY GLY G . n A 1 274 THR 274 413 413 THR THR G . n A 1 275 ILE 275 414 414 ILE ILE G . n A 1 276 THR 276 415 415 THR THR G . n A 1 277 LEU 277 416 416 LEU LEU G . n A 1 278 PRO 278 417 417 PRO PRO G . n A 1 279 CYS 279 418 418 CYS CYS G . n A 1 280 LYS 280 419 419 LYS LYS G . n A 1 281 ILE 281 420 420 ILE ILE G . n A 1 282 LYS 282 421 421 LYS LYS G . n A 1 283 GLN 283 422 422 GLN GLN G . n A 1 284 ILE 284 423 423 ILE ILE G . n A 1 285 ILE 285 424 424 ILE ILE G . n A 1 286 ASN 286 425 425 ASN ASN G . n A 1 287 MET 287 426 426 MET MET G . n A 1 288 TRP 288 427 427 TRP TRP G . n A 1 289 GLN 289 428 428 GLN GLN G . n A 1 290 GLY 290 429 429 GLY GLY G . n A 1 291 THR 291 430 430 THR THR G . n A 1 292 GLY 292 431 431 GLY GLY G . n A 1 293 GLN 293 432 432 GLN GLN G . n A 1 294 ALA 294 433 433 ALA ALA G . n A 1 295 MET 295 434 434 MET MET G . n A 1 296 TYR 296 435 435 TYR TYR G . n A 1 297 ALA 297 436 436 ALA ALA G . n A 1 298 PRO 298 437 437 PRO PRO G . n A 1 299 PRO 299 438 438 PRO PRO G . n A 1 300 ILE 300 439 439 ILE ILE G . n A 1 301 ASP 301 440 440 ASP ASP G . n A 1 302 GLY 302 441 441 GLY GLY G . n A 1 303 LYS 303 442 442 LYS LYS G . n A 1 304 ILE 304 443 443 ILE ILE G . n A 1 305 ASN 305 444 444 ASN ASN G . n A 1 306 CYS 306 445 445 CYS CYS G . n A 1 307 VAL 307 446 446 VAL VAL G . n A 1 308 SER 308 447 447 SER SER G . n A 1 309 ASN 309 448 448 ASN ASN G . n A 1 310 ILE 310 449 449 ILE ILE G . n A 1 311 THR 311 450 450 THR THR G . n A 1 312 GLY 312 451 451 GLY GLY G . n A 1 313 ILE 313 452 452 ILE ILE G . n A 1 314 LEU 314 453 453 LEU LEU G . n A 1 315 LEU 315 454 454 LEU LEU G . n A 1 316 THR 316 455 455 THR THR G . n A 1 317 ARG 317 456 456 ARG ARG G . n A 1 318 ASP 318 457 457 ASP ASP G . n A 1 319 GLY 319 458 458 GLY GLY G . n A 1 320 GLY 320 459 459 GLY GLY G . n A 1 321 ALA 321 460 460 ALA ALA G . n A 1 322 ASN 322 461 461 ASN ASN G . n A 1 323 ASN 323 462 462 ASN ASN G . n A 1 324 THR 324 463 463 THR THR G . n A 1 325 SER 325 464 464 SER SER G . n A 1 326 ASN 326 465 465 ASN ASN G . n A 1 327 GLU 327 466 466 GLU GLU G . n A 1 328 THR 328 467 467 THR THR G . n A 1 329 PHE 329 468 468 PHE PHE G . n A 1 330 ARG 330 469 469 ARG ARG G . n A 1 331 PRO 331 470 470 PRO PRO G . n A 1 332 GLY 332 471 471 GLY GLY G . n A 1 333 GLY 333 472 472 GLY GLY G . n A 1 334 GLY 334 473 473 GLY GLY G . n A 1 335 ASN 335 474 474 ASN ASN G . n A 1 336 ILE 336 475 475 ILE ILE G . n A 1 337 LYS 337 476 476 LYS LYS G . n A 1 338 ASP 338 477 477 ASP ASP G . n A 1 339 ASN 339 478 478 ASN ASN G . n A 1 340 TRP 340 479 479 TRP TRP G . n A 1 341 ARG 341 480 480 ARG ARG G . n A 1 342 SER 342 481 481 SER SER G . n A 1 343 GLU 343 482 482 GLU GLU G . n A 1 344 LEU 344 483 483 LEU LEU G . n A 1 345 TYR 345 484 484 TYR TYR G . n A 1 346 LYS 346 485 485 LYS LYS G . n A 1 347 TYR 347 486 486 TYR TYR G . n A 1 348 LYS 348 487 487 LYS LYS G . n A 1 349 VAL 349 488 488 VAL VAL G . n A 1 350 VAL 350 489 489 VAL VAL G . n A 1 351 GLN 351 490 490 GLN GLN G . n A 1 352 ILE 352 491 491 ILE ILE G . n A 1 353 GLU 353 492 492 GLU GLU G . n B 2 1 GLN 1 1 1 GLN GLN H . n B 2 2 VAL 2 2 2 VAL VAL H . n B 2 3 ARG 3 3 3 ARG ARG H . n B 2 4 LEU 4 4 4 LEU LEU H . n B 2 5 SER 5 5 5 SER SER H . n B 2 6 GLN 6 6 6 GLN GLN H . n B 2 7 SER 7 7 7 SER SER H . n B 2 8 GLY 8 8 8 GLY GLY H . n B 2 9 GLY 9 9 9 GLY GLY H . n B 2 10 GLN 10 10 10 GLN GLN H . n B 2 11 MET 11 11 11 MET MET H . n B 2 12 LYS 12 12 12 LYS LYS H . n B 2 13 LYS 13 13 13 LYS LYS H . n B 2 14 PRO 14 14 14 PRO PRO H . n B 2 15 GLY 15 15 15 GLY GLY H . n B 2 16 ASP 16 16 16 ASP ASP H . n B 2 17 SER 17 17 17 SER SER H . n B 2 18 MET 18 18 18 MET MET H . n B 2 19 ARG 19 19 19 ARG ARG H . n B 2 20 ILE 20 20 20 ILE ILE H . n B 2 21 SER 21 21 21 SER SER H . n B 2 22 CYS 22 22 22 CYS CYS H . n B 2 23 ARG 23 23 23 ARG ARG H . n B 2 24 ALA 24 24 24 ALA ALA H . n B 2 25 SER 25 25 25 SER SER H . n B 2 26 GLY 26 26 26 GLY GLY H . n B 2 27 TYR 27 27 27 TYR TYR H . n B 2 28 GLU 28 28 28 GLU GLU H . n B 2 29 PHE 29 29 29 PHE PHE H . n B 2 30 GLN 30 30 30 GLN GLN H . n B 2 31 ASN 31 31 31 ASN ASN H . n B 2 32 CYS 32 32 32 CYS CYS H . n B 2 33 PRO 33 33 33 PRO PRO H . n B 2 34 ILE 34 34 34 ILE ILE H . n B 2 35 ASN 35 35 35 ASN ASN H . n B 2 36 TRP 36 36 36 TRP TRP H . n B 2 37 ILE 37 37 37 ILE ILE H . n B 2 38 ARG 38 38 38 ARG ARG H . n B 2 39 LEU 39 39 39 LEU LEU H . n B 2 40 ALA 40 40 40 ALA ALA H . n B 2 41 PRO 41 41 41 PRO PRO H . n B 2 42 GLY 42 42 42 GLY GLY H . n B 2 43 LYS 43 43 43 LYS LYS H . n B 2 44 ARG 44 44 44 ARG ARG H . n B 2 45 PRO 45 45 45 PRO PRO H . n B 2 46 GLU 46 46 46 GLU GLU H . n B 2 47 TRP 47 47 47 TRP TRP H . n B 2 48 MET 48 48 48 MET MET H . n B 2 49 GLY 49 49 49 GLY GLY H . n B 2 50 TRP 50 50 50 TRP TRP H . n B 2 51 MET 51 51 51 MET MET H . n B 2 52 LYS 52 52 52 LYS LYS H . n B 2 53 PRO 53 52 52 PRO PRO H A n B 2 54 ARG 54 53 53 ARG ARG H . n B 2 55 TRP 55 54 54 TRP TRP H . n B 2 56 GLY 56 55 55 GLY GLY H . n B 2 57 ALA 57 56 56 ALA ALA H . n B 2 58 VAL 58 57 57 VAL VAL H . n B 2 59 ASN 59 58 58 ASN ASN H . n B 2 60 TYR 60 59 59 TYR TYR H . n B 2 61 ALA 61 60 60 ALA ALA H . n B 2 62 ARG 62 61 61 ARG ARG H . n B 2 63 GLN 63 62 62 GLN GLN H . n B 2 64 LEU 64 63 63 LEU LEU H . n B 2 65 GLN 65 64 64 GLN GLN H . n B 2 66 GLY 66 65 65 GLY GLY H . n B 2 67 ARG 67 66 66 ARG ARG H . n B 2 68 VAL 68 67 67 VAL VAL H . n B 2 69 THR 69 68 68 THR THR H . n B 2 70 MET 70 69 69 MET MET H . n B 2 71 THR 71 70 70 THR THR H . n B 2 72 ARG 72 71 71 ARG ARG H . n B 2 73 ASP 73 72 72 ASP ASP H . n B 2 74 MET 74 73 73 MET MET H . n B 2 75 TYR 75 74 74 TYR TYR H . n B 2 76 SER 76 75 75 SER SER H . n B 2 77 GLU 77 76 76 GLU GLU H . n B 2 78 THR 78 77 77 THR THR H . n B 2 79 ALA 79 78 78 ALA ALA H . n B 2 80 PHE 80 79 79 PHE PHE H . n B 2 81 LEU 81 80 80 LEU LEU H . n B 2 82 GLU 82 81 81 GLU GLU H . n B 2 83 LEU 83 82 82 LEU LEU H . n B 2 84 ARG 84 82 82 ARG ARG H A n B 2 85 SER 85 82 82 SER SER H B n B 2 86 LEU 86 82 82 LEU LEU H C n B 2 87 THR 87 83 83 THR THR H . n B 2 88 SER 88 84 84 SER SER H . n B 2 89 ASP 89 85 85 ASP ASP H . n B 2 90 ASP 90 86 86 ASP ASP H . n B 2 91 THR 91 87 87 THR THR H . n B 2 92 ALA 92 88 88 ALA ALA H . n B 2 93 VAL 93 89 89 VAL VAL H . n B 2 94 TYR 94 90 90 TYR TYR H . n B 2 95 PHE 95 91 91 PHE PHE H . n B 2 96 CYS 96 92 92 CYS CYS H . n B 2 97 THR 97 93 93 THR THR H . n B 2 98 ARG 98 94 94 ARG ARG H . n B 2 99 GLY 99 95 95 GLY GLY H . n B 2 100 LYS 100 96 96 LYS LYS H . n B 2 101 TYR 101 97 97 TYR TYR H . n B 2 102 CYS 102 98 98 CYS CYS H . n B 2 103 THR 103 99 99 THR THR H . n B 2 104 ALA 104 100 100 ALA ALA H . n B 2 105 ARG 105 100 100 ARG ARG H A n B 2 106 ASP 106 100 100 ASP ASP H B n B 2 107 TYR 107 100 100 TYR TYR H C n B 2 108 TYR 108 100 100 TYR TYR H D n B 2 109 ASN 109 100 100 ASN ASN H E n B 2 110 TRP 110 100 100 TRP TRP H F n B 2 111 ASP 111 100 100 ASP ASP H G n B 2 112 PHE 112 100 100 PHE PHE H H n B 2 113 GLU 113 101 101 GLU GLU H . n B 2 114 HIS 114 102 102 HIS HIS H . n B 2 115 TRP 115 103 103 TRP TRP H . n B 2 116 GLY 116 104 104 GLY GLY H . n B 2 117 GLN 117 105 105 GLN GLN H . n B 2 118 GLY 118 106 106 GLY GLY H . n B 2 119 THR 119 107 107 THR THR H . n B 2 120 PRO 120 108 108 PRO PRO H . n B 2 121 VAL 121 109 109 VAL VAL H . n B 2 122 THR 122 110 110 THR THR H . n B 2 123 VAL 123 111 111 VAL VAL H . n B 2 124 SER 124 112 112 SER SER H . n B 2 125 SER 125 113 113 SER SER H . n B 2 126 ALA 126 114 114 ALA PRO H . n B 2 127 SER 127 115 115 SER SER H . n B 2 128 THR 128 116 116 THR THR H . n B 2 129 LYS 129 117 117 LYS LYS H . n B 2 130 GLY 130 118 118 GLY GLY H . n B 2 131 PRO 131 119 119 PRO PRO H . n B 2 132 SER 132 120 120 SER SER H . n B 2 133 VAL 133 121 121 VAL VAL H . n B 2 134 PHE 134 122 122 PHE PHE H . n B 2 135 PRO 135 123 123 PRO PRO H . n B 2 136 LEU 136 124 124 LEU LEU H . n B 2 137 ALA 137 125 125 ALA ALA H . n B 2 138 PRO 138 126 126 PRO PRO H . n B 2 139 SER 139 127 127 SER SER H . n B 2 140 SER 140 128 128 SER SER H . n B 2 141 LYS 141 129 129 LYS LYS H . n B 2 142 SER 142 130 130 SER SER H . n B 2 143 THR 143 131 131 THR THR H . n B 2 144 SER 144 132 132 SER SER H . n B 2 145 GLY 145 133 133 GLY GLY H . n B 2 146 GLY 146 134 134 GLY GLY H . n B 2 147 THR 147 135 135 THR THR H . n B 2 148 ALA 148 136 136 ALA ALA H . n B 2 149 ALA 149 137 137 ALA ALA H . n B 2 150 LEU 150 138 138 LEU LEU H . n B 2 151 GLY 151 139 139 GLY GLY H . n B 2 152 CYS 152 140 140 CYS CYS H . n B 2 153 LEU 153 141 141 LEU LEU H . n B 2 154 VAL 154 142 142 VAL VAL H . n B 2 155 LYS 155 143 143 LYS LYS H . n B 2 156 ASP 156 144 144 ASP ASP H . n B 2 157 TYR 157 145 145 TYR TYR H . n B 2 158 PHE 158 146 146 PHE PHE H . n B 2 159 PRO 159 147 147 PRO PRO H . n B 2 160 GLU 160 148 148 GLU GLU H . n B 2 161 PRO 161 149 149 PRO PRO H . n B 2 162 VAL 162 150 150 VAL VAL H . n B 2 163 THR 163 151 151 THR THR H . n B 2 164 VAL 164 152 152 VAL VAL H . n B 2 165 SER 165 153 153 SER SER H . n B 2 166 TRP 166 154 154 TRP TRP H . n B 2 167 ASN 167 155 155 ASN ASN H . n B 2 168 SER 168 156 156 SER SER H . n B 2 169 GLY 169 157 157 GLY GLY H . n B 2 170 ALA 170 158 158 ALA ALA H . n B 2 171 LEU 171 159 159 LEU LEU H . n B 2 172 THR 172 160 160 THR THR H . n B 2 173 SER 173 161 161 SER SER H . n B 2 174 GLY 174 162 162 GLY GLY H . n B 2 175 VAL 175 163 163 VAL VAL H . n B 2 176 HIS 176 164 164 HIS HIS H . n B 2 177 THR 177 165 165 THR THR H . n B 2 178 PHE 178 166 166 PHE PHE H . n B 2 179 PRO 179 167 167 PRO PRO H . n B 2 180 ALA 180 168 168 ALA ALA H . n B 2 181 VAL 181 169 169 VAL VAL H . n B 2 182 LEU 182 170 170 LEU LEU H . n B 2 183 GLN 183 171 171 GLN GLN H . n B 2 184 SER 184 172 172 SER SER H . n B 2 185 SER 185 173 173 SER SER H . n B 2 186 GLY 186 174 174 GLY GLY H . n B 2 187 LEU 187 175 175 LEU LEU H . n B 2 188 TYR 188 176 176 TYR TYR H . n B 2 189 SER 189 177 177 SER SER H . n B 2 190 LEU 190 178 178 LEU LEU H . n B 2 191 SER 191 179 179 SER SER H . n B 2 192 SER 192 180 180 SER SER H . n B 2 193 VAL 193 181 181 VAL VAL H . n B 2 194 VAL 194 182 182 VAL VAL H . n B 2 195 THR 195 183 183 THR THR H . n B 2 196 VAL 196 184 184 VAL VAL H . n B 2 197 PRO 197 185 185 PRO PRO H . n B 2 198 SER 198 186 186 SER SER H . n B 2 199 SER 199 187 187 SER SER H . n B 2 200 SER 200 188 188 SER SER H . n B 2 201 LEU 201 189 189 LEU LEU H . n B 2 202 GLY 202 190 190 GLY GLY H . n B 2 203 THR 203 191 191 THR THR H . n B 2 204 GLN 204 192 192 GLN GLN H . n B 2 205 THR 205 193 193 THR THR H . n B 2 206 TYR 206 194 194 TYR TYR H . n B 2 207 ILE 207 195 195 ILE ILE H . n B 2 208 CYS 208 196 196 CYS CYS H . n B 2 209 ASN 209 197 197 ASN ASN H . n B 2 210 VAL 210 198 198 VAL VAL H . n B 2 211 ASN 211 199 199 ASN ASN H . n B 2 212 HIS 212 200 200 HIS HIS H . n B 2 213 LYS 213 201 201 LYS LYS H . n B 2 214 PRO 214 202 202 PRO PRO H . n B 2 215 SER 215 203 203 SER SER H . n B 2 216 ASN 216 204 204 ASN ASN H . n B 2 217 THR 217 205 205 THR THR H . n B 2 218 LYS 218 206 206 LYS LYS H . n B 2 219 VAL 219 207 207 VAL VAL H . n B 2 220 ASP 220 208 208 ASP ASP H . n B 2 221 LYS 221 209 209 LYS LYS H . n B 2 222 LYS 222 210 210 LYS LYS H . n B 2 223 VAL 223 211 211 VAL VAL H . n B 2 224 GLU 224 212 212 GLU GLU H . n B 2 225 PRO 225 213 213 PRO PRO H . n B 2 226 LYS 226 214 214 LYS LYS H . n B 2 227 SER 227 215 215 SER SER H . n B 2 228 CYS 228 216 216 CYS CYS H . n C 3 1 GLU 1 1 1 GLU GLU L . n C 3 2 ILE 2 2 2 ILE ILE L . n C 3 3 VAL 3 3 3 VAL VAL L . n C 3 4 LEU 4 4 4 LEU LEU L . n C 3 5 THR 5 5 5 THR THR L . n C 3 6 GLN 6 6 6 GLN GLN L . n C 3 7 SER 7 7 7 SER SER L . n C 3 8 PRO 8 8 8 PRO PRO L . n C 3 9 GLY 9 9 9 GLY GLY L . n C 3 10 THR 10 10 10 THR THR L . n C 3 11 LEU 11 11 11 LEU LEU L . n C 3 12 SER 12 12 12 SER SER L . n C 3 13 LEU 13 13 13 LEU LEU L . n C 3 14 SER 14 14 14 SER SER L . n C 3 15 PRO 15 15 15 PRO PRO L . n C 3 16 GLY 16 16 16 GLY GLY L . n C 3 17 GLU 17 17 17 GLU GLU L . n C 3 18 THR 18 18 18 THR THR L . n C 3 19 ALA 19 19 19 ALA ALA L . n C 3 20 ILE 20 20 20 ILE ILE L . n C 3 21 ILE 21 21 21 ILE ILE L . n C 3 22 SER 22 22 22 SER SER L . n C 3 23 CYS 23 23 23 CYS CYS L . n C 3 24 ARG 24 24 24 ARG ARG L . n C 3 25 THR 25 25 25 THR THR L . n C 3 26 SER 26 26 26 SER SER L . n C 3 27 GLN 27 27 27 GLN GLN L . n C 3 28 TYR 28 28 28 TYR TYR L . n C 3 29 GLY 29 29 29 GLY GLY L . n C 3 30 SER 30 30 30 SER SER L . n C 3 31 LEU 31 33 33 LEU LEU L . n C 3 32 ALA 32 34 34 ALA ALA L . n C 3 33 TRP 33 35 35 TRP TRP L . n C 3 34 TYR 34 36 36 TYR TYR L . n C 3 35 GLN 35 37 37 GLN GLN L . n C 3 36 GLN 36 38 38 GLN GLN L . n C 3 37 ARG 37 39 39 ARG ARG L . n C 3 38 PRO 38 40 40 PRO PRO L . n C 3 39 GLY 39 41 41 GLY GLY L . n C 3 40 GLN 40 42 42 GLN GLN L . n C 3 41 ALA 41 43 43 ALA ALA L . n C 3 42 PRO 42 44 44 PRO PRO L . n C 3 43 ARG 43 45 45 ARG ARG L . n C 3 44 LEU 44 46 46 LEU LEU L . n C 3 45 VAL 45 47 47 VAL VAL L . n C 3 46 ILE 46 48 48 ILE ILE L . n C 3 47 TYR 47 49 49 TYR TYR L . n C 3 48 SER 48 50 50 SER SER L . n C 3 49 GLY 49 51 51 GLY GLY L . n C 3 50 SER 50 52 52 SER SER L . n C 3 51 THR 51 53 53 THR THR L . n C 3 52 ARG 52 54 54 ARG ARG L . n C 3 53 ALA 53 55 55 ALA ALA L . n C 3 54 ALA 54 56 56 ALA ALA L . n C 3 55 GLY 55 57 57 GLY GLY L . n C 3 56 ILE 56 58 58 ILE ILE L . n C 3 57 PRO 57 59 59 PRO PRO L . n C 3 58 ASP 58 60 60 ASP ASP L . n C 3 59 ARG 59 61 61 ARG ARG L . n C 3 60 PHE 60 62 62 PHE PHE L . n C 3 61 SER 61 63 63 SER SER L . n C 3 62 GLY 62 64 64 GLY GLY L . n C 3 63 SER 63 65 65 SER SER L . n C 3 64 ARG 64 66 66 ARG ARG L . n C 3 65 TRP 65 67 67 TRP TRP L . n C 3 66 GLY 66 68 68 GLY GLY L . n C 3 67 PRO 67 69 69 PRO PRO L . n C 3 68 ASP 68 70 70 ASP ASP L . n C 3 69 TYR 69 71 71 TYR TYR L . n C 3 70 ASN 70 72 72 ASN THR L . n C 3 71 LEU 71 73 73 LEU LEU L . n C 3 72 THR 72 74 74 THR THR L . n C 3 73 ILE 73 75 75 ILE ILE L . n C 3 74 SER 74 76 76 SER SER L . n C 3 75 ASN 75 77 77 ASN ASN L . n C 3 76 LEU 76 78 78 LEU LEU L . n C 3 77 GLU 77 79 79 GLU GLU L . n C 3 78 SER 78 80 80 SER SER L . n C 3 79 GLY 79 81 81 GLY GLY L . n C 3 80 ASP 80 82 82 ASP ASP L . n C 3 81 PHE 81 83 83 PHE PHE L . n C 3 82 GLY 82 84 84 GLY GLY L . n C 3 83 VAL 83 85 85 VAL VAL L . n C 3 84 TYR 84 86 86 TYR TYR L . n C 3 85 TYR 85 87 87 TYR TYR L . n C 3 86 CYS 86 88 88 CYS CYS L . n C 3 87 GLN 87 89 89 GLN GLN L . n C 3 88 GLN 88 90 90 GLN GLN L . n C 3 89 TYR 89 91 91 TYR TYR L . n C 3 90 GLU 90 96 96 GLU GLU L . n C 3 91 PHE 91 97 97 PHE PHE L . n C 3 92 PHE 92 98 98 PHE PHE L . n C 3 93 GLY 93 99 99 GLY GLY L . n C 3 94 GLN 94 100 100 GLN GLN L . n C 3 95 GLY 95 101 101 GLY GLY L . n C 3 96 THR 96 102 102 THR THR L . n C 3 97 LYS 97 103 103 LYS LYS L . n C 3 98 VAL 98 104 104 VAL VAL L . n C 3 99 GLN 99 105 105 GLN GLN L . n C 3 100 VAL 100 106 106 VAL VAL L . n C 3 101 ASP 101 107 107 ASP ASP L . n C 3 102 ILE 102 108 108 ILE ILE L . n C 3 103 LYS 103 109 109 LYS LYS L . n C 3 104 ARG 104 110 110 ARG ARG L . n C 3 105 THR 105 111 111 THR THR L . n C 3 106 VAL 106 112 112 VAL VAL L . n C 3 107 ALA 107 113 113 ALA ALA L . n C 3 108 ALA 108 114 114 ALA ALA L . n C 3 109 PRO 109 115 115 PRO PRO L . n C 3 110 SER 110 116 116 SER SER L . n C 3 111 VAL 111 117 117 VAL VAL L . n C 3 112 PHE 112 118 118 PHE PHE L . n C 3 113 ILE 113 119 119 ILE ILE L . n C 3 114 PHE 114 120 120 PHE PHE L . n C 3 115 PRO 115 121 121 PRO PRO L . n C 3 116 PRO 116 122 122 PRO PRO L . n C 3 117 SER 117 123 123 SER SER L . n C 3 118 ASP 118 124 124 ASP ASP L . n C 3 119 GLU 119 125 125 GLU GLU L . n C 3 120 GLN 120 126 126 GLN GLN L . n C 3 121 LEU 121 127 127 LEU LEU L . n C 3 122 LYS 122 128 128 LYS LYS L . n C 3 123 SER 123 129 129 SER SER L . n C 3 124 GLY 124 130 130 GLY GLY L . n C 3 125 THR 125 131 131 THR THR L . n C 3 126 ALA 126 132 132 ALA ALA L . n C 3 127 SER 127 133 133 SER SER L . n C 3 128 VAL 128 134 134 VAL VAL L . n C 3 129 VAL 129 135 135 VAL VAL L . n C 3 130 CYS 130 136 136 CYS CYS L . n C 3 131 LEU 131 137 137 LEU LEU L . n C 3 132 LEU 132 138 138 LEU LEU L . n C 3 133 ASN 133 139 139 ASN ASN L . n C 3 134 ASN 134 140 140 ASN ASN L . n C 3 135 PHE 135 141 141 PHE PHE L . n C 3 136 TYR 136 142 142 TYR TYR L . n C 3 137 PRO 137 143 143 PRO PRO L . n C 3 138 ARG 138 144 144 ARG ARG L . n C 3 139 GLU 139 145 145 GLU GLU L . n C 3 140 ALA 140 146 146 ALA ALA L . n C 3 141 LYS 141 147 147 LYS LYS L . n C 3 142 VAL 142 148 148 VAL VAL L . n C 3 143 GLN 143 149 149 GLN GLN L . n C 3 144 TRP 144 150 150 TRP TRP L . n C 3 145 LYS 145 151 151 LYS LYS L . n C 3 146 VAL 146 152 152 VAL VAL L . n C 3 147 ASP 147 153 153 ASP ASP L . n C 3 148 ASN 148 154 154 ASN ASN L . n C 3 149 ALA 149 155 155 ALA ALA L . n C 3 150 LEU 150 156 156 LEU LEU L . n C 3 151 GLN 151 157 157 GLN GLN L . n C 3 152 SER 152 158 158 SER SER L . n C 3 153 GLY 153 159 159 GLY GLY L . n C 3 154 ASN 154 160 160 ASN ASN L . n C 3 155 SER 155 161 161 SER SER L . n C 3 156 GLN 156 162 162 GLN GLN L . n C 3 157 GLU 157 163 163 GLU GLU L . n C 3 158 SER 158 164 164 SER SER L . n C 3 159 VAL 159 165 165 VAL VAL L . n C 3 160 THR 160 166 166 THR THR L . n C 3 161 GLU 161 167 167 GLU GLU L . n C 3 162 GLN 162 168 168 GLN GLN L . n C 3 163 ASP 163 169 169 ASP ASP L . n C 3 164 SER 164 170 170 SER SER L . n C 3 165 LYS 165 171 171 LYS LYS L . n C 3 166 ASP 166 172 172 ASP ASP L . n C 3 167 SER 167 173 173 SER SER L . n C 3 168 THR 168 174 174 THR THR L . n C 3 169 TYR 169 175 175 TYR TYR L . n C 3 170 SER 170 176 176 SER SER L . n C 3 171 LEU 171 177 177 LEU LEU L . n C 3 172 SER 172 178 178 SER SER L . n C 3 173 SER 173 179 179 SER SER L . n C 3 174 THR 174 180 180 THR THR L . n C 3 175 LEU 175 181 181 LEU LEU L . n C 3 176 THR 176 182 182 THR THR L . n C 3 177 LEU 177 183 183 LEU LEU L . n C 3 178 SER 178 184 184 SER SER L . n C 3 179 LYS 179 185 185 LYS LYS L . n C 3 180 ALA 180 186 186 ALA ALA L . n C 3 181 ASP 181 187 187 ASP ASP L . n C 3 182 TYR 182 188 188 TYR TYR L . n C 3 183 GLU 183 189 189 GLU GLU L . n C 3 184 LYS 184 190 190 LYS LYS L . n C 3 185 HIS 185 191 191 HIS HIS L . n C 3 186 LYS 186 192 192 LYS LYS L . n C 3 187 VAL 187 193 193 VAL VAL L . n C 3 188 TYR 188 194 194 TYR TYR L . n C 3 189 ALA 189 195 195 ALA ALA L . n C 3 190 CYS 190 196 196 CYS CYS L . n C 3 191 GLU 191 197 197 GLU GLU L . n C 3 192 VAL 192 198 198 VAL VAL L . n C 3 193 THR 193 199 199 THR THR L . n C 3 194 HIS 194 200 200 HIS HIS L . n C 3 195 GLN 195 201 201 GLN GLN L . n C 3 196 GLY 196 202 202 GLY GLY L . n C 3 197 LEU 197 203 203 LEU LEU L . n C 3 198 SER 198 204 204 SER SER L . n C 3 199 SER 199 205 205 SER SER L . n C 3 200 PRO 200 206 206 PRO PRO L . n C 3 201 VAL 201 207 207 VAL VAL L . n C 3 202 THR 202 208 208 THR THR L . n C 3 203 LYS 203 209 209 LYS LYS L . n C 3 204 SER 204 210 210 SER SER L . n C 3 205 PHE 205 211 211 PHE PHE L . n C 3 206 ASN 206 212 212 ASN ASN L . n C 3 207 ARG 207 213 213 ARG ARG L . n C 3 208 GLY 208 214 214 GLY GLY L . n C 3 209 GLU 209 215 215 GLU GLU L . n C 3 210 CYS 210 216 216 CYS CYS L . 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 D 4 NAG 1 501 734 NAG NAG G . E 4 NAG 1 502 741 NAG NAG G . F 4 NAG 1 503 762 NAG NAG G . G 4 NAG 1 504 776 NAG NAG G . H 4 NAG 1 505 789 NAG NAG G . I 4 NAG 1 506 795 NAG NAG G . J 4 NAG 1 507 834 NAG NAG G . K 4 NAG 1 508 886 NAG NAG G . L 4 NAG 1 509 892 NAG NAG G . M 4 NAG 1 510 948 NAG NAG G . N 5 HOH 1 601 2 HOH HOH G . N 5 HOH 2 602 4 HOH HOH G . N 5 HOH 3 603 8 HOH HOH G . N 5 HOH 4 604 16 HOH HOH G . N 5 HOH 5 605 18 HOH HOH G . N 5 HOH 6 606 22 HOH HOH G . N 5 HOH 7 607 24 HOH HOH G . N 5 HOH 8 608 27 HOH HOH G . N 5 HOH 9 609 32 HOH HOH G . N 5 HOH 10 610 42 HOH HOH G . N 5 HOH 11 611 43 HOH HOH G . N 5 HOH 12 612 45 HOH HOH G . N 5 HOH 13 613 50 HOH HOH G . N 5 HOH 14 614 51 HOH HOH G . N 5 HOH 15 615 56 HOH HOH G . N 5 HOH 16 616 57 HOH HOH G . N 5 HOH 17 617 59 HOH HOH G . N 5 HOH 18 618 62 HOH HOH G . N 5 HOH 19 619 67 HOH HOH G . N 5 HOH 20 620 68 HOH HOH G . N 5 HOH 21 621 70 HOH HOH G . N 5 HOH 22 622 72 HOH HOH G . N 5 HOH 23 623 76 HOH HOH G . N 5 HOH 24 624 78 HOH HOH G . N 5 HOH 25 625 84 HOH HOH G . N 5 HOH 26 626 90 HOH HOH G . N 5 HOH 27 627 93 HOH HOH G . N 5 HOH 28 628 95 HOH HOH G . N 5 HOH 29 629 97 HOH HOH G . N 5 HOH 30 630 100 HOH HOH G . N 5 HOH 31 631 101 HOH HOH G . N 5 HOH 32 632 103 HOH HOH G . N 5 HOH 33 633 104 HOH HOH G . N 5 HOH 34 634 106 HOH HOH G . N 5 HOH 35 635 108 HOH HOH G . N 5 HOH 36 636 110 HOH HOH G . N 5 HOH 37 637 121 HOH HOH G . N 5 HOH 38 638 130 HOH HOH G . N 5 HOH 39 639 133 HOH HOH G . N 5 HOH 40 640 134 HOH HOH G . N 5 HOH 41 641 137 HOH HOH G . N 5 HOH 42 642 142 HOH HOH G . N 5 HOH 43 643 145 HOH HOH G . N 5 HOH 44 644 146 HOH HOH G . N 5 HOH 45 645 153 HOH HOH G . N 5 HOH 46 646 157 HOH HOH G . N 5 HOH 47 647 164 HOH HOH G . N 5 HOH 48 648 165 HOH HOH G . N 5 HOH 49 649 173 HOH HOH G . N 5 HOH 50 650 174 HOH HOH G . N 5 HOH 51 651 175 HOH HOH G . N 5 HOH 52 652 177 HOH HOH G . N 5 HOH 53 653 178 HOH HOH G . N 5 HOH 54 654 181 HOH HOH G . N 5 HOH 55 655 194 HOH HOH G . N 5 HOH 56 656 196 HOH HOH G . N 5 HOH 57 657 199 HOH HOH G . N 5 HOH 58 658 202 HOH HOH G . N 5 HOH 59 659 203 HOH HOH G . N 5 HOH 60 660 206 HOH HOH G . N 5 HOH 61 661 215 HOH HOH G . N 5 HOH 62 662 219 HOH HOH G . N 5 HOH 63 663 226 HOH HOH G . N 5 HOH 64 664 227 HOH HOH G . N 5 HOH 65 665 228 HOH HOH G . N 5 HOH 66 666 231 HOH HOH G . N 5 HOH 67 667 233 HOH HOH G . N 5 HOH 68 668 234 HOH HOH G . N 5 HOH 69 669 235 HOH HOH G . N 5 HOH 70 670 241 HOH HOH G . N 5 HOH 71 671 245 HOH HOH G . N 5 HOH 72 672 249 HOH HOH G . N 5 HOH 73 673 251 HOH HOH G . N 5 HOH 74 674 253 HOH HOH G . N 5 HOH 75 675 255 HOH HOH G . N 5 HOH 76 676 256 HOH HOH G . N 5 HOH 77 677 260 HOH HOH G . N 5 HOH 78 678 264 HOH HOH G . O 5 HOH 1 301 1 HOH HOH H . O 5 HOH 2 302 5 HOH HOH H . O 5 HOH 3 303 6 HOH HOH H . O 5 HOH 4 304 9 HOH HOH H . O 5 HOH 5 305 11 HOH HOH H . O 5 HOH 6 306 12 HOH HOH H . O 5 HOH 7 307 13 HOH HOH H . O 5 HOH 8 308 14 HOH HOH H . O 5 HOH 9 309 17 HOH HOH H . O 5 HOH 10 310 28 HOH HOH H . O 5 HOH 11 311 30 HOH HOH H . O 5 HOH 12 312 31 HOH HOH H . O 5 HOH 13 313 33 HOH HOH H . O 5 HOH 14 314 36 HOH HOH H . O 5 HOH 15 315 38 HOH HOH H . O 5 HOH 16 316 40 HOH HOH H . O 5 HOH 17 317 41 HOH HOH H . O 5 HOH 18 318 49 HOH HOH H . O 5 HOH 19 319 53 HOH HOH H . O 5 HOH 20 320 55 HOH HOH H . O 5 HOH 21 321 58 HOH HOH H . O 5 HOH 22 322 60 HOH HOH H . O 5 HOH 23 323 63 HOH HOH H . O 5 HOH 24 324 64 HOH HOH H . O 5 HOH 25 325 65 HOH HOH H . O 5 HOH 26 326 69 HOH HOH H . O 5 HOH 27 327 71 HOH HOH H . O 5 HOH 28 328 73 HOH HOH H . O 5 HOH 29 329 79 HOH HOH H . O 5 HOH 30 330 81 HOH HOH H . O 5 HOH 31 331 83 HOH HOH H . O 5 HOH 32 332 86 HOH HOH H . O 5 HOH 33 333 88 HOH HOH H . O 5 HOH 34 334 94 HOH HOH H . O 5 HOH 35 335 96 HOH HOH H . O 5 HOH 36 336 107 HOH HOH H . O 5 HOH 37 337 109 HOH HOH H . O 5 HOH 38 338 112 HOH HOH H . O 5 HOH 39 339 113 HOH HOH H . O 5 HOH 40 340 117 HOH HOH H . O 5 HOH 41 341 119 HOH HOH H . O 5 HOH 42 342 123 HOH HOH H . O 5 HOH 43 343 124 HOH HOH H . O 5 HOH 44 344 132 HOH HOH H . O 5 HOH 45 345 140 HOH HOH H . O 5 HOH 46 346 143 HOH HOH H . O 5 HOH 47 347 144 HOH HOH H . O 5 HOH 48 348 150 HOH HOH H . O 5 HOH 49 349 152 HOH HOH H . O 5 HOH 50 350 156 HOH HOH H . O 5 HOH 51 351 160 HOH HOH H . O 5 HOH 52 352 161 HOH HOH H . O 5 HOH 53 353 170 HOH HOH H . O 5 HOH 54 354 171 HOH HOH H . O 5 HOH 55 355 172 HOH HOH H . O 5 HOH 56 356 176 HOH HOH H . O 5 HOH 57 357 180 HOH HOH H . O 5 HOH 58 358 182 HOH HOH H . O 5 HOH 59 359 183 HOH HOH H . O 5 HOH 60 360 186 HOH HOH H . O 5 HOH 61 361 187 HOH HOH H . O 5 HOH 62 362 188 HOH HOH H . O 5 HOH 63 363 189 HOH HOH H . O 5 HOH 64 364 191 HOH HOH H . O 5 HOH 65 365 195 HOH HOH H . O 5 HOH 66 366 198 HOH HOH H . O 5 HOH 67 367 200 HOH HOH H . O 5 HOH 68 368 201 HOH HOH H . O 5 HOH 69 369 207 HOH HOH H . O 5 HOH 70 370 208 HOH HOH H . O 5 HOH 71 371 211 HOH HOH H . O 5 HOH 72 372 212 HOH HOH H . O 5 HOH 73 373 213 HOH HOH H . O 5 HOH 74 374 216 HOH HOH H . O 5 HOH 75 375 220 HOH HOH H . O 5 HOH 76 376 222 HOH HOH H . O 5 HOH 77 377 224 HOH HOH H . O 5 HOH 78 378 225 HOH HOH H . O 5 HOH 79 379 229 HOH HOH H . O 5 HOH 80 380 230 HOH HOH H . O 5 HOH 81 381 232 HOH HOH H . O 5 HOH 82 382 236 HOH HOH H . O 5 HOH 83 383 237 HOH HOH H . O 5 HOH 84 384 238 HOH HOH H . O 5 HOH 85 385 239 HOH HOH H . O 5 HOH 86 386 240 HOH HOH H . O 5 HOH 87 387 242 HOH HOH H . O 5 HOH 88 388 246 HOH HOH H . O 5 HOH 89 389 247 HOH HOH H . O 5 HOH 90 390 248 HOH HOH H . O 5 HOH 91 391 252 HOH HOH H . O 5 HOH 92 392 254 HOH HOH H . O 5 HOH 93 393 257 HOH HOH H . O 5 HOH 94 394 258 HOH HOH H . O 5 HOH 95 395 263 HOH HOH H . O 5 HOH 96 396 265 HOH HOH H . O 5 HOH 97 397 267 HOH HOH H . O 5 HOH 98 398 268 HOH HOH H . O 5 HOH 99 399 269 HOH HOH H . O 5 HOH 100 400 270 HOH HOH H . O 5 HOH 101 401 271 HOH HOH H . P 5 HOH 1 301 3 HOH HOH L . P 5 HOH 2 302 7 HOH HOH L . P 5 HOH 3 303 10 HOH HOH L . P 5 HOH 4 304 15 HOH HOH L . P 5 HOH 5 305 19 HOH HOH L . P 5 HOH 6 306 20 HOH HOH L . P 5 HOH 7 307 21 HOH HOH L . P 5 HOH 8 308 23 HOH HOH L . P 5 HOH 9 309 25 HOH HOH L . P 5 HOH 10 310 26 HOH HOH L . P 5 HOH 11 311 29 HOH HOH L . P 5 HOH 12 312 34 HOH HOH L . P 5 HOH 13 313 35 HOH HOH L . P 5 HOH 14 314 37 HOH HOH L . P 5 HOH 15 315 39 HOH HOH L . P 5 HOH 16 316 44 HOH HOH L . P 5 HOH 17 317 46 HOH HOH L . P 5 HOH 18 318 47 HOH HOH L . P 5 HOH 19 319 48 HOH HOH L . P 5 HOH 20 320 52 HOH HOH L . P 5 HOH 21 321 54 HOH HOH L . P 5 HOH 22 322 61 HOH HOH L . P 5 HOH 23 323 66 HOH HOH L . P 5 HOH 24 324 74 HOH HOH L . P 5 HOH 25 325 75 HOH HOH L . P 5 HOH 26 326 77 HOH HOH L . P 5 HOH 27 327 80 HOH HOH L . P 5 HOH 28 328 82 HOH HOH L . P 5 HOH 29 329 85 HOH HOH L . P 5 HOH 30 330 87 HOH HOH L . P 5 HOH 31 331 89 HOH HOH L . P 5 HOH 32 332 91 HOH HOH L . P 5 HOH 33 333 92 HOH HOH L . P 5 HOH 34 334 98 HOH HOH L . P 5 HOH 35 335 99 HOH HOH L . P 5 HOH 36 336 102 HOH HOH L . P 5 HOH 37 337 105 HOH HOH L . P 5 HOH 38 338 111 HOH HOH L . P 5 HOH 39 339 114 HOH HOH L . P 5 HOH 40 340 115 HOH HOH L . P 5 HOH 41 341 116 HOH HOH L . P 5 HOH 42 342 118 HOH HOH L . P 5 HOH 43 343 120 HOH HOH L . P 5 HOH 44 344 122 HOH HOH L . P 5 HOH 45 345 125 HOH HOH L . P 5 HOH 46 346 126 HOH HOH L . P 5 HOH 47 347 127 HOH HOH L . P 5 HOH 48 348 128 HOH HOH L . P 5 HOH 49 349 129 HOH HOH L . P 5 HOH 50 350 131 HOH HOH L . P 5 HOH 51 351 135 HOH HOH L . P 5 HOH 52 352 136 HOH HOH L . P 5 HOH 53 353 138 HOH HOH L . P 5 HOH 54 354 139 HOH HOH L . P 5 HOH 55 355 141 HOH HOH L . P 5 HOH 56 356 147 HOH HOH L . P 5 HOH 57 357 148 HOH HOH L . P 5 HOH 58 358 149 HOH HOH L . P 5 HOH 59 359 151 HOH HOH L . P 5 HOH 60 360 154 HOH HOH L . P 5 HOH 61 361 155 HOH HOH L . P 5 HOH 62 362 158 HOH HOH L . P 5 HOH 63 363 159 HOH HOH L . P 5 HOH 64 364 162 HOH HOH L . P 5 HOH 65 365 163 HOH HOH L . P 5 HOH 66 366 166 HOH HOH L . P 5 HOH 67 367 167 HOH HOH L . P 5 HOH 68 368 168 HOH HOH L . P 5 HOH 69 369 169 HOH HOH L . P 5 HOH 70 370 179 HOH HOH L . P 5 HOH 71 371 184 HOH HOH L . P 5 HOH 72 372 185 HOH HOH L . P 5 HOH 73 373 190 HOH HOH L . P 5 HOH 74 374 192 HOH HOH L . P 5 HOH 75 375 193 HOH HOH L . P 5 HOH 76 376 197 HOH HOH L . P 5 HOH 77 377 204 HOH HOH L . P 5 HOH 78 378 205 HOH HOH L . P 5 HOH 79 379 209 HOH HOH L . P 5 HOH 80 380 210 HOH HOH L . P 5 HOH 81 381 214 HOH HOH L . P 5 HOH 82 382 217 HOH HOH L . P 5 HOH 83 383 218 HOH HOH L . P 5 HOH 84 384 221 HOH HOH L . P 5 HOH 85 385 223 HOH HOH L . P 5 HOH 86 386 243 HOH HOH L . P 5 HOH 87 387 244 HOH HOH L . P 5 HOH 88 388 250 HOH HOH L . P 5 HOH 89 389 259 HOH HOH L . P 5 HOH 90 390 261 HOH HOH L . P 5 HOH 91 391 262 HOH HOH L . P 5 HOH 92 392 266 HOH HOH L . # 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 309 G ASN 448 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 160 G ASN 276 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 253 G ASN 386 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 125 G ASN 241 ? ASN 'GLYCOSYLATION SITE' 5 A ASN 118 G ASN 234 ? ASN 'GLYCOSYLATION SITE' 6 A ASN 202 G ASN 334 ? ASN 'GLYCOSYLATION SITE' 7 A ASN 179 G ASN 295 ? ASN 'GLYCOSYLATION SITE' 8 A ASN 259 G ASN 392 ? ASN 'GLYCOSYLATION SITE' 9 A ASN 173 G ASN 289 ? ASN 'GLYCOSYLATION SITE' 10 A ASN 146 G ASN 262 ? 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 trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P # 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)' 9340 ? 1 MORE 23 ? 1 'SSA (A^2)' 35690 ? # _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 2014-09-03 2 'Structure model' 1 1 2014-10-22 3 'Structure model' 1 2 2017-08-23 # _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' 3 3 'Structure model' 'Source and taxonomy' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' entity_src_gen 2 3 'Structure model' software # 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 -33.2639 5.3323 -6.4230 0.3467 0.4522 0.4352 0.0412 0.0988 0.1367 3.1892 3.5659 3.4109 1.6483 -0.6699 1.3000 -0.1228 0.1534 0.0062 0.1182 0.2406 0.5643 0.1341 0.2865 -0.3661 'X-RAY DIFFRACTION' 2 ? refined -10.5246 3.5106 -4.4886 0.3651 0.4685 0.3027 0.1734 0.0113 0.0887 2.3753 2.8769 4.0016 0.5555 -1.3924 0.0831 -0.1850 0.1349 -0.0025 -0.4745 -0.2331 -0.1336 0.3292 0.6006 0.6453 'X-RAY DIFFRACTION' 3 ? refined -6.2422 19.2153 -26.7670 0.2408 0.2314 0.2021 0.0092 -0.0116 0.0028 4.0275 2.5494 2.8945 -0.0017 -0.7749 -0.5652 -0.0841 0.0500 0.0390 -0.1109 0.1277 -0.0176 -0.0349 -0.2376 0.2242 'X-RAY DIFFRACTION' 4 ? refined 22.2909 19.3985 -59.4832 0.3789 0.2661 0.3755 0.0503 0.0378 -0.0244 4.2296 2.6950 4.2622 0.1173 -0.1455 -0.5562 0.1425 -0.0152 -0.1009 0.2381 -0.0199 -0.3018 -0.2674 0.1782 0.4549 'X-RAY DIFFRACTION' 5 ? refined -12.5492 9.4213 -47.0856 0.2704 0.2407 0.3203 0.0156 -0.0380 0.0123 1.6333 0.6906 6.8016 -0.1284 -2.6483 0.0303 -0.0342 -0.0295 0.0334 0.0956 -0.1243 0.1839 -0.1010 0.0492 0.0461 'X-RAY DIFFRACTION' 6 ? refined 16.1944 4.5548 -60.3750 0.4651 0.1895 0.3187 0.0278 -0.0537 -0.0183 5.0150 1.7176 3.0533 -0.8173 1.7811 -0.2402 0.1062 0.0949 -0.2005 -0.0547 -0.0895 -0.3628 0.1946 0.3578 0.0857 # 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 G 44 G 252 '( CHAIN G AND ( RESID 44:252 OR RESID 474:492 ) )' ? ? ? ? ? 'X-RAY DIFFRACTION' 2 1 G 474 G 492 '( CHAIN G AND ( RESID 44:252 OR RESID 474:492 ) )' ? ? ? ? ? 'X-RAY DIFFRACTION' 3 2 G 253 G 473 '( CHAIN G AND RESID 253:473 )' ? ? ? ? ? 'X-RAY DIFFRACTION' 4 3 H 1 H 125 '( CHAIN H AND RESID 1:125 )' ? ? ? ? ? 'X-RAY DIFFRACTION' 5 4 H 126 H 216 '( CHAIN H AND RESID 126:216 )' ? ? ? ? ? 'X-RAY DIFFRACTION' 6 5 L 1 L 111 '( CHAIN L AND RESID 1:111 )' ? ? ? ? ? 'X-RAY DIFFRACTION' 7 6 L 112 L 216 '( CHAIN L AND RESID 112:216 )' ? ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 PHASES phasing . ? 2 PHENIX refinement '(phenix.refine: 1.8.4_1496)' ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 4OM1 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THE V1/V2 REGIONS IN CHAIN G WAS REPLACED BY G81, G82. THE V3 REGION IN CHAIN G WAS REPLACED BY THE REMAINING LINKER GGSGSG ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O H HOH 388 ? ? O H HOH 397 ? ? 1.80 2 1 O G HOH 673 ? ? O G HOH 676 ? ? 1.86 3 1 O H HOH 371 ? ? O H HOH 372 ? ? 1.91 4 1 O H HOH 356 ? ? O H HOH 368 ? ? 1.99 5 1 O H HOH 350 ? ? O H HOH 365 ? ? 1.99 6 1 O H HOH 336 ? ? O L HOH 338 ? ? 2.00 7 1 O G HOH 665 ? ? O G HOH 668 ? ? 2.02 8 1 OG1 G THR 297 ? ? O G HOH 647 ? ? 2.06 9 1 O G HOH 657 ? ? O G HOH 662 ? ? 2.10 10 1 NH1 H ARG 23 ? ? O H HOH 367 ? ? 2.15 11 1 OH H TYR 176 ? ? O H HOH 370 ? ? 2.15 12 1 OE2 G GLU 332 ? ? O G HOH 671 ? ? 2.16 13 1 OE1 H GLN 64 ? ? O H HOH 353 ? ? 2.16 14 1 OG H SER 7 ? ? O H HOH 303 ? ? 2.18 15 1 OE2 H GLU 76 ? ? O H HOH 339 ? ? 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 SER G 115 ? ? -134.10 -39.72 2 1 LEU G 116 ? ? -103.90 64.73 3 1 ASP G 211 ? ? -164.46 108.32 4 1 GLN G 258 ? ? 67.49 -61.08 5 1 GLU G 268 ? ? -110.82 -94.68 6 1 ASN G 276 ? ? -170.30 99.26 7 1 THR G 430 ? ? -84.59 -126.09 8 1 ASN G 462 ? ? -151.75 9.14 9 1 SER G 464 ? ? -94.99 34.92 10 1 PRO H 126 ? ? -41.73 -83.93 11 1 SER H 127 ? ? -171.43 -146.55 12 1 SER H 128 ? ? -93.58 -89.77 13 1 ASP H 144 ? ? 62.26 60.84 14 1 SER L 52 ? ? -146.82 -0.24 15 1 TYR L 91 ? ? 51.29 -126.75 16 1 LYS L 171 ? ? -90.57 -60.71 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 G THR 406 ? OG1 ? A THR 267 OG1 2 1 Y 1 G THR 406 ? CG2 ? A THR 267 CG2 3 1 Y 1 G MET 407 ? CG ? A MET 268 CG 4 1 Y 1 G MET 407 ? SD ? A MET 268 SD 5 1 Y 1 G MET 407 ? CE ? A MET 268 CE 6 1 Y 1 L ASN 72 ? CG ? C ASN 70 CG 7 1 Y 1 L ASN 72 ? OD1 ? C ASN 70 OD1 8 1 Y 1 L ASN 72 ? ND2 ? C ASN 70 ND2 # 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 G GLY 318 ? A GLY 186 2 1 Y 1 G GLY 319 ? A GLY 187 3 1 Y 1 G SER 320 ? A SER 188 4 1 Y 1 G GLY 321 ? A GLY 189 5 1 Y 1 G SER 322 ? A SER 190 6 1 Y 1 G GLY 323 ? A GLY 191 7 1 Y 1 G GLY 324 ? A GLY 192 8 1 Y 1 G ASN 404 ? A ASN 265 9 1 Y 1 G GLU 405 ? A GLU 266 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 water HOH #