data_4DO5 # _entry.id 4DO5 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4DO5 RCSB RCSB070572 WWPDB D_1000070572 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3H53 'Complex with glycerol' unspecified PDB 3H54 'Complex with GalNAc' unspecified PDB 3H55 'Complex with galactose' unspecified PDB 3IGU 'Covalent complex' unspecified PDB 4DO4 'Complex with DGJNAc' unspecified PDB 4DO6 'Glucose soak' unspecified # _pdbx_database_status.entry_id 4DO5 _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-02-09 _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 'Clark, N.E.' 1 'Garman, S.C.' 2 # _citation.id primary _citation.title 'Pharmacological chaperones for human alpha-N-acetylgalactosaminidase' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 109 _citation.page_first 17400 _citation.page_last 17405 _citation.year 2012 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23045655 _citation.pdbx_database_id_DOI 10.1073/pnas.1203924109 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Clark, N.E.' 1 primary 'Metcalf, M.C.' 2 primary 'Best, D.' 3 primary 'Fleet, G.W.' 4 primary 'Garman, S.C.' 5 # _cell.length_a 154.352 _cell.length_b 114.513 _cell.length_c 68.553 _cell.angle_alpha 90.000 _cell.angle_beta 95.640 _cell.angle_gamma 90.000 _cell.entry_id 4DO5 _cell.pdbx_unique_axis ? _cell.Z_PDB 8 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.entry_id 4DO5 _symmetry.Int_Tables_number 5 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Alpha-N-acetylgalactosaminidase 45582.867 2 3.2.1.49 N201Q 'UNP residues 18-411' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 10 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer syn '(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol' 163.172 2 ? ? ? ? 6 non-polymer syn 'CITRIC ACID' 192.124 2 ? ? ? ? 7 non-polymer syn GLYCEROL 92.094 14 ? ? ? ? 8 water nat water 18.015 1022 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Alpha-galactosidase B' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;LDNGLLQTPPMGWLAWERFRCNINCDEDPKNCISEQLFMEMADRMAQDGWRDMGYTYLNIDDCWIGGRDASGRLMPDPKR FPHGIPFLADYVHSLGLKLGIYADMGNFTCMGYPGTTLDKVVQDAQTFAEWKVDMLKLDGCFSTPEERAQGYPKMAAALN ATGRPIAFSCSWPAYEGGLPPRVQYSLLADICNLWRNYDDIQDSWWSVLSILNWFVEHQDILQPVAGPGHWNDPDMLLIG NFGLSLEQSRAQMALWTVLAAPLLMSTDLRTISAQNMDILQNPLMIKINQDPLGIQGRRIHKEKSLIEVYMRPLSNKASA LVFFSCRTDMPYRYHSSLGQLNFTGSVIYEAQDVYSGDIISGLRDETNFTVIINPSGVVMWYLYPIKNLEMSQQHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;LDNGLLQTPPMGWLAWERFRCNINCDEDPKNCISEQLFMEMADRMAQDGWRDMGYTYLNIDDCWIGGRDASGRLMPDPKR FPHGIPFLADYVHSLGLKLGIYADMGNFTCMGYPGTTLDKVVQDAQTFAEWKVDMLKLDGCFSTPEERAQGYPKMAAALN ATGRPIAFSCSWPAYEGGLPPRVQYSLLADICNLWRNYDDIQDSWWSVLSILNWFVEHQDILQPVAGPGHWNDPDMLLIG NFGLSLEQSRAQMALWTVLAAPLLMSTDLRTISAQNMDILQNPLMIKINQDPLGIQGRRIHKEKSLIEVYMRPLSNKASA LVFFSCRTDMPYRYHSSLGQLNFTGSVIYEAQDVYSGDIISGLRDETNFTVIINPSGVVMWYLYPIKNLEMSQQHHHHHH ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LEU n 1 2 ASP n 1 3 ASN n 1 4 GLY n 1 5 LEU n 1 6 LEU n 1 7 GLN n 1 8 THR n 1 9 PRO n 1 10 PRO n 1 11 MET n 1 12 GLY n 1 13 TRP n 1 14 LEU n 1 15 ALA n 1 16 TRP n 1 17 GLU n 1 18 ARG n 1 19 PHE n 1 20 ARG n 1 21 CYS n 1 22 ASN n 1 23 ILE n 1 24 ASN n 1 25 CYS n 1 26 ASP n 1 27 GLU n 1 28 ASP n 1 29 PRO n 1 30 LYS n 1 31 ASN n 1 32 CYS n 1 33 ILE n 1 34 SER n 1 35 GLU n 1 36 GLN n 1 37 LEU n 1 38 PHE n 1 39 MET n 1 40 GLU n 1 41 MET n 1 42 ALA n 1 43 ASP n 1 44 ARG n 1 45 MET n 1 46 ALA n 1 47 GLN n 1 48 ASP n 1 49 GLY n 1 50 TRP n 1 51 ARG n 1 52 ASP n 1 53 MET n 1 54 GLY n 1 55 TYR n 1 56 THR n 1 57 TYR n 1 58 LEU n 1 59 ASN n 1 60 ILE n 1 61 ASP n 1 62 ASP n 1 63 CYS n 1 64 TRP n 1 65 ILE n 1 66 GLY n 1 67 GLY n 1 68 ARG n 1 69 ASP n 1 70 ALA n 1 71 SER n 1 72 GLY n 1 73 ARG n 1 74 LEU n 1 75 MET n 1 76 PRO n 1 77 ASP n 1 78 PRO n 1 79 LYS n 1 80 ARG n 1 81 PHE n 1 82 PRO n 1 83 HIS n 1 84 GLY n 1 85 ILE n 1 86 PRO n 1 87 PHE n 1 88 LEU n 1 89 ALA n 1 90 ASP n 1 91 TYR n 1 92 VAL n 1 93 HIS n 1 94 SER n 1 95 LEU n 1 96 GLY n 1 97 LEU n 1 98 LYS n 1 99 LEU n 1 100 GLY n 1 101 ILE n 1 102 TYR n 1 103 ALA n 1 104 ASP n 1 105 MET n 1 106 GLY n 1 107 ASN n 1 108 PHE n 1 109 THR n 1 110 CYS n 1 111 MET n 1 112 GLY n 1 113 TYR n 1 114 PRO n 1 115 GLY n 1 116 THR n 1 117 THR n 1 118 LEU n 1 119 ASP n 1 120 LYS n 1 121 VAL n 1 122 VAL n 1 123 GLN n 1 124 ASP n 1 125 ALA n 1 126 GLN n 1 127 THR n 1 128 PHE n 1 129 ALA n 1 130 GLU n 1 131 TRP n 1 132 LYS n 1 133 VAL n 1 134 ASP n 1 135 MET n 1 136 LEU n 1 137 LYS n 1 138 LEU n 1 139 ASP n 1 140 GLY n 1 141 CYS n 1 142 PHE n 1 143 SER n 1 144 THR n 1 145 PRO n 1 146 GLU n 1 147 GLU n 1 148 ARG n 1 149 ALA n 1 150 GLN n 1 151 GLY n 1 152 TYR n 1 153 PRO n 1 154 LYS n 1 155 MET n 1 156 ALA n 1 157 ALA n 1 158 ALA n 1 159 LEU n 1 160 ASN n 1 161 ALA n 1 162 THR n 1 163 GLY n 1 164 ARG n 1 165 PRO n 1 166 ILE n 1 167 ALA n 1 168 PHE n 1 169 SER n 1 170 CYS n 1 171 SER n 1 172 TRP n 1 173 PRO n 1 174 ALA n 1 175 TYR n 1 176 GLU n 1 177 GLY n 1 178 GLY n 1 179 LEU n 1 180 PRO n 1 181 PRO n 1 182 ARG n 1 183 VAL n 1 184 GLN n 1 185 TYR n 1 186 SER n 1 187 LEU n 1 188 LEU n 1 189 ALA n 1 190 ASP n 1 191 ILE n 1 192 CYS n 1 193 ASN n 1 194 LEU n 1 195 TRP n 1 196 ARG n 1 197 ASN n 1 198 TYR n 1 199 ASP n 1 200 ASP n 1 201 ILE n 1 202 GLN n 1 203 ASP n 1 204 SER n 1 205 TRP n 1 206 TRP n 1 207 SER n 1 208 VAL n 1 209 LEU n 1 210 SER n 1 211 ILE n 1 212 LEU n 1 213 ASN n 1 214 TRP n 1 215 PHE n 1 216 VAL n 1 217 GLU n 1 218 HIS n 1 219 GLN n 1 220 ASP n 1 221 ILE n 1 222 LEU n 1 223 GLN n 1 224 PRO n 1 225 VAL n 1 226 ALA n 1 227 GLY n 1 228 PRO n 1 229 GLY n 1 230 HIS n 1 231 TRP n 1 232 ASN n 1 233 ASP n 1 234 PRO n 1 235 ASP n 1 236 MET n 1 237 LEU n 1 238 LEU n 1 239 ILE n 1 240 GLY n 1 241 ASN n 1 242 PHE n 1 243 GLY n 1 244 LEU n 1 245 SER n 1 246 LEU n 1 247 GLU n 1 248 GLN n 1 249 SER n 1 250 ARG n 1 251 ALA n 1 252 GLN n 1 253 MET n 1 254 ALA n 1 255 LEU n 1 256 TRP n 1 257 THR n 1 258 VAL n 1 259 LEU n 1 260 ALA n 1 261 ALA n 1 262 PRO n 1 263 LEU n 1 264 LEU n 1 265 MET n 1 266 SER n 1 267 THR n 1 268 ASP n 1 269 LEU n 1 270 ARG n 1 271 THR n 1 272 ILE n 1 273 SER n 1 274 ALA n 1 275 GLN n 1 276 ASN n 1 277 MET n 1 278 ASP n 1 279 ILE n 1 280 LEU n 1 281 GLN n 1 282 ASN n 1 283 PRO n 1 284 LEU n 1 285 MET n 1 286 ILE n 1 287 LYS n 1 288 ILE n 1 289 ASN n 1 290 GLN n 1 291 ASP n 1 292 PRO n 1 293 LEU n 1 294 GLY n 1 295 ILE n 1 296 GLN n 1 297 GLY n 1 298 ARG n 1 299 ARG n 1 300 ILE n 1 301 HIS n 1 302 LYS n 1 303 GLU n 1 304 LYS n 1 305 SER n 1 306 LEU n 1 307 ILE n 1 308 GLU n 1 309 VAL n 1 310 TYR n 1 311 MET n 1 312 ARG n 1 313 PRO n 1 314 LEU n 1 315 SER n 1 316 ASN n 1 317 LYS n 1 318 ALA n 1 319 SER n 1 320 ALA n 1 321 LEU n 1 322 VAL n 1 323 PHE n 1 324 PHE n 1 325 SER n 1 326 CYS n 1 327 ARG n 1 328 THR n 1 329 ASP n 1 330 MET n 1 331 PRO n 1 332 TYR n 1 333 ARG n 1 334 TYR n 1 335 HIS n 1 336 SER n 1 337 SER n 1 338 LEU n 1 339 GLY n 1 340 GLN n 1 341 LEU n 1 342 ASN n 1 343 PHE n 1 344 THR n 1 345 GLY n 1 346 SER n 1 347 VAL n 1 348 ILE n 1 349 TYR n 1 350 GLU n 1 351 ALA n 1 352 GLN n 1 353 ASP n 1 354 VAL n 1 355 TYR n 1 356 SER n 1 357 GLY n 1 358 ASP n 1 359 ILE n 1 360 ILE n 1 361 SER n 1 362 GLY n 1 363 LEU n 1 364 ARG n 1 365 ASP n 1 366 GLU n 1 367 THR n 1 368 ASN n 1 369 PHE n 1 370 THR n 1 371 VAL n 1 372 ILE n 1 373 ILE n 1 374 ASN n 1 375 PRO n 1 376 SER n 1 377 GLY n 1 378 VAL n 1 379 VAL n 1 380 MET n 1 381 TRP n 1 382 TYR n 1 383 LEU n 1 384 TYR n 1 385 PRO n 1 386 ILE n 1 387 LYS n 1 388 ASN n 1 389 LEU n 1 390 GLU n 1 391 MET n 1 392 SER n 1 393 GLN n 1 394 GLN n 1 395 HIS n 1 396 HIS n 1 397 HIS n 1 398 HIS n 1 399 HIS n 1 400 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene NAGA _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'Cabbage looper' _entity_src_gen.pdbx_host_org_scientific_name 'Trichoplusia ni' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7111 _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 HI-FIVE _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 plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name 'pIB/V5-His-TOPO TA' _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NAGAB_HUMAN _struct_ref.pdbx_db_accession P17050 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;LDNGLLQTPPMGWLAWERFRCNINCDEDPKNCISEQLFMEMADRMAQDGWRDMGYTYLNIDDCWIGGRDASGRLMPDPKR FPHGIPFLADYVHSLGLKLGIYADMGNFTCMGYPGTTLDKVVQDAQTFAEWKVDMLKLDGCFSTPEERAQGYPKMAAALN ATGRPIAFSCSWPAYEGGLPPRVNYSLLADICNLWRNYDDIQDSWWSVLSILNWFVEHQDILQPVAGPGHWNDPDMLLIG NFGLSLEQSRAQMALWTVLAAPLLMSTDLRTISAQNMDILQNPLMIKINQDPLGIQGRRIHKEKSLIEVYMRPLSNKASA LVFFSCRTDMPYRYHSSLGQLNFTGSVIYEAQDVYSGDIISGLRDETNFTVIINPSGVVMWYLYPIKNLEMSQQ ; _struct_ref.pdbx_align_begin 18 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4DO5 A 1 ? 394 ? P17050 18 ? 411 ? 18 411 2 1 4DO5 B 1 ? 394 ? P17050 18 ? 411 ? 18 411 # 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 4DO5 GLN A 184 ? UNP P17050 ASN 201 'ENGINEERED MUTATION' 201 1 1 4DO5 HIS A 395 ? UNP P17050 ? ? 'EXPRESSION TAG' 412 2 1 4DO5 HIS A 396 ? UNP P17050 ? ? 'EXPRESSION TAG' 413 3 1 4DO5 HIS A 397 ? UNP P17050 ? ? 'EXPRESSION TAG' 414 4 1 4DO5 HIS A 398 ? UNP P17050 ? ? 'EXPRESSION TAG' 415 5 1 4DO5 HIS A 399 ? UNP P17050 ? ? 'EXPRESSION TAG' 416 6 1 4DO5 HIS A 400 ? UNP P17050 ? ? 'EXPRESSION TAG' 417 7 2 4DO5 GLN B 184 ? UNP P17050 ASN 201 'ENGINEERED MUTATION' 201 8 2 4DO5 HIS B 395 ? UNP P17050 ? ? 'EXPRESSION TAG' 412 9 2 4DO5 HIS B 396 ? UNP P17050 ? ? 'EXPRESSION TAG' 413 10 2 4DO5 HIS B 397 ? UNP P17050 ? ? 'EXPRESSION TAG' 414 11 2 4DO5 HIS B 398 ? UNP P17050 ? ? 'EXPRESSION TAG' 415 12 2 4DO5 HIS B 399 ? UNP P17050 ? ? 'EXPRESSION TAG' 416 13 2 4DO5 HIS B 400 ? UNP P17050 ? ? 'EXPRESSION TAG' 417 14 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CIT non-polymer . 'CITRIC ACID' ? 'C6 H8 O7' 192.124 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DGJ non-polymer . '(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol' 1-deoxygalactonojirimycin 'C6 H13 N O4' 163.172 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 4DO5 _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 3.31 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 62.80 _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.pH 3.4 _exptl_crystal_grow.temp 293 _exptl_crystal_grow.pdbx_details '8-16% PEG3350, 70mM citric acid, 30mM Bis-Tris propane, pH 3.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 210' _diffrn_detector.pdbx_collection_date 2008-10-12 _diffrn_detector.details 'TOROIDAL FOCUSING MIRROR' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'SI(111) CHANNEL CUT' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'NSLS BEAMLINE X6A' _diffrn_source.pdbx_wavelength_list 1.000 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site NSLS _diffrn_source.pdbx_synchrotron_beamline X6A # _reflns.entry_id 4DO5 _reflns.d_resolution_high 1.500 _reflns.d_resolution_low 50.000 _reflns.number_obs 178912 _reflns.pdbx_Rmerge_I_obs 0.046 _reflns.pdbx_netI_over_sigmaI 15.300 _reflns.pdbx_chi_squared 1.010 _reflns.pdbx_redundancy 4.000 _reflns.percent_possible_obs 96.100 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value 0.046 _reflns.B_iso_Wilson_estimate ? _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_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 1.500 1.550 ? ? ? 0.644 ? ? 0.993 2.900 ? 13588 73.200 1 1 1.550 1.620 ? ? ? 0.538 ? ? 1.005 3.500 ? 17259 92.800 2 1 1.620 1.690 ? ? ? 0.436 ? ? 1.019 4.100 ? 18235 98.400 3 1 1.690 1.780 ? ? ? 0.286 ? ? 1.030 4.200 ? 18348 98.700 4 1 1.780 1.890 ? ? ? 0.187 ? ? 1.045 4.200 ? 18432 99.100 5 1 1.890 2.040 ? ? ? 0.106 ? ? 1.109 4.200 ? 18474 99.300 6 1 2.040 2.240 ? ? ? 0.065 ? ? 1.117 4.200 ? 18501 99.600 7 1 2.240 2.560 ? ? ? 0.048 ? ? 1.070 4.200 ? 18608 99.800 8 1 2.560 3.230 ? ? ? 0.032 ? ? 1.009 4.200 ? 18663 99.900 9 1 3.230 50.000 ? ? ? 0.024 ? ? 0.689 4.200 ? 18804 99.900 10 1 # _refine.entry_id 4DO5 _refine.ls_d_res_high 1.5100 _refine.ls_d_res_low 31.8900 _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 95.5700 _refine.ls_number_reflns_obs 178628 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED' _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1601 _refine.ls_R_factor_R_work 0.1592 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.1779 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.1000 _refine.ls_number_reflns_R_free 9021 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 29.5642 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] -0.0200 _refine.aniso_B[2][2] -0.0500 _refine.aniso_B[3][3] 0.1100 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.1800 _refine.aniso_B[2][3] 0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9760 _refine.correlation_coeff_Fo_to_Fc_free 0.9710 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R 0.0590 _refine.pdbx_overall_ESU_R_Free 0.0590 _refine.overall_SU_ML 0.0450 _refine.overall_SU_B 2.8390 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.4000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB entry 3H53' _refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 142.750 _refine.B_iso_min 9.870 _refine.pdbx_overall_phase_error ? _refine.occupancy_max 1.000 _refine.occupancy_min 0.500 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6279 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 338 _refine_hist.number_atoms_solvent 1022 _refine_hist.number_atoms_total 7639 _refine_hist.d_res_high 1.5100 _refine_hist.d_res_low 31.8900 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 6921 0.010 0.021 ? ? 'X-RAY DIFFRACTION' r_bond_other_d 4672 0.001 0.020 ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 9435 1.361 2.000 ? ? 'X-RAY DIFFRACTION' r_angle_other_deg 11326 0.886 3.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 813 6.291 5.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 310 35.257 24.065 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 1078 12.461 15.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 40 18.342 15.000 ? ? 'X-RAY DIFFRACTION' r_chiral_restr 1027 0.083 0.200 ? ? 'X-RAY DIFFRACTION' r_gen_planes_refined 7527 0.006 0.021 ? ? 'X-RAY DIFFRACTION' r_gen_planes_other 1369 0.001 0.020 ? ? 'X-RAY DIFFRACTION' r_mcbond_it 4007 2.627 12.000 ? ? 'X-RAY DIFFRACTION' r_mcbond_other 1610 1.047 12.000 ? ? 'X-RAY DIFFRACTION' r_mcangle_it 6478 3.859 16.000 ? ? 'X-RAY DIFFRACTION' r_scbond_it 2914 5.924 20.000 ? ? 'X-RAY DIFFRACTION' r_scangle_it 2957 8.533 24.000 ? ? 'X-RAY DIFFRACTION' # _refine_ls_shell.d_res_high 1.510 _refine_ls_shell.d_res_low 1.5440 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 65.6100 _refine_ls_shell.number_reflns_R_work 8577 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.3110 _refine_ls_shell.R_factor_R_free 0.3240 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 454 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 9031 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4DO5 _struct.title 'Pharmacological chaperones for human alpha-N-acetylgalactosaminidase' _struct.pdbx_descriptor 'Alpha-N-acetylgalactosaminidase (E.C.3.2.1.49)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4DO5 _struct_keywords.text ;PHARMACOLOGICAL CHAPERONE, BETA/ALPHA)8 BARREL, GLYCOSIDASE, CARBOHYDRATE-BINDING PROTEIN, GLYCOPROTEIN, LYSOSOME, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex ; _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 4 ? J N N 2 ? K N N 5 ? L N N 6 ? M N N 7 ? N N N 7 ? O N N 7 ? P N N 7 ? Q N N 7 ? R N N 7 ? S N N 7 ? T N N 7 ? U N N 2 ? V N N 2 ? W N N 2 ? X N N 2 ? Y N N 3 ? Z N N 4 ? AA N N 4 ? BA N N 2 ? CA N N 5 ? DA N N 6 ? EA N N 7 ? FA N N 7 ? GA N N 7 ? HA N N 7 ? IA N N 7 ? JA N N 7 ? KA N N 8 ? LA N N 8 ? # _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 ALA A 15 ? ARG A 20 ? ALA A 32 ARG A 37 1 ? 6 HELX_P HELX_P2 2 SER A 34 ? ASP A 48 ? SER A 51 ASP A 65 1 ? 15 HELX_P HELX_P3 3 GLY A 49 ? GLY A 54 ? GLY A 66 GLY A 71 1 ? 6 HELX_P HELX_P4 4 GLY A 84 ? LEU A 95 ? GLY A 101 LEU A 112 1 ? 12 HELX_P HELX_P5 5 THR A 117 ? ASP A 119 ? THR A 134 ASP A 136 5 ? 3 HELX_P HELX_P6 6 LYS A 120 ? LYS A 132 ? LYS A 137 LYS A 149 1 ? 13 HELX_P HELX_P7 7 THR A 144 ? THR A 162 ? THR A 161 THR A 179 1 ? 19 HELX_P HELX_P8 8 TRP A 172 ? GLY A 177 ? TRP A 189 GLY A 194 5 ? 6 HELX_P HELX_P9 9 GLN A 184 ? CYS A 192 ? GLN A 201 CYS A 209 1 ? 9 HELX_P HELX_P10 10 SER A 204 ? HIS A 218 ? SER A 221 HIS A 235 1 ? 15 HELX_P HELX_P11 11 HIS A 218 ? ALA A 226 ? HIS A 235 ALA A 243 1 ? 9 HELX_P HELX_P12 12 SER A 245 ? LEU A 259 ? SER A 262 LEU A 276 1 ? 15 HELX_P HELX_P13 13 SER A 273 ? GLN A 281 ? SER A 290 GLN A 298 1 ? 9 HELX_P HELX_P14 14 ASN A 282 ? GLN A 290 ? ASN A 299 GLN A 307 1 ? 9 HELX_P HELX_P15 15 GLY A 339 ? ASN A 342 ? GLY A 356 ASN A 359 5 ? 4 HELX_P HELX_P16 16 ALA B 15 ? ARG B 20 ? ALA B 32 ARG B 37 1 ? 6 HELX_P HELX_P17 17 SER B 34 ? ASP B 48 ? SER B 51 ASP B 65 1 ? 15 HELX_P HELX_P18 18 GLY B 49 ? GLY B 54 ? GLY B 66 GLY B 71 1 ? 6 HELX_P HELX_P19 19 GLY B 84 ? LEU B 95 ? GLY B 101 LEU B 112 1 ? 12 HELX_P HELX_P20 20 THR B 117 ? ASP B 119 ? THR B 134 ASP B 136 5 ? 3 HELX_P HELX_P21 21 LYS B 120 ? LYS B 132 ? LYS B 137 LYS B 149 1 ? 13 HELX_P HELX_P22 22 THR B 144 ? GLY B 163 ? THR B 161 GLY B 180 1 ? 20 HELX_P HELX_P23 23 TRP B 172 ? GLY B 177 ? TRP B 189 GLY B 194 5 ? 6 HELX_P HELX_P24 24 GLN B 184 ? CYS B 192 ? GLN B 201 CYS B 209 1 ? 9 HELX_P HELX_P25 25 SER B 204 ? HIS B 218 ? SER B 221 HIS B 235 1 ? 15 HELX_P HELX_P26 26 HIS B 218 ? GLN B 223 ? HIS B 235 GLN B 240 1 ? 6 HELX_P HELX_P27 27 PRO B 224 ? ALA B 226 ? PRO B 241 ALA B 243 5 ? 3 HELX_P HELX_P28 28 SER B 245 ? LEU B 259 ? SER B 262 LEU B 276 1 ? 15 HELX_P HELX_P29 29 SER B 273 ? GLN B 281 ? SER B 290 GLN B 298 1 ? 9 HELX_P HELX_P30 30 ASN B 282 ? GLN B 290 ? ASN B 299 GLN B 307 1 ? 9 HELX_P HELX_P31 31 SER B 315 ? LYS B 317 ? SER B 332 LYS B 334 5 ? 3 HELX_P HELX_P32 32 LEU B 338 ? ASN B 342 ? LEU B 355 ASN B 359 5 ? 5 HELX_P HELX_P33 33 LYS B 387 ? SER B 392 ? LYS B 404 SER B 409 1 ? 6 # _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 21 SG ? ? ? 1_555 A CYS 63 SG ? ? A CYS 38 A CYS 80 1_555 ? ? ? ? ? ? ? 2.053 ? disulf2 disulf ? ? A CYS 25 SG ? ? ? 1_555 A CYS 32 SG ? ? A CYS 42 A CYS 49 1_555 ? ? ? ? ? ? ? 2.043 ? disulf3 disulf ? ? A CYS 110 SG ? ? ? 1_555 A CYS 141 SG ? ? A CYS 127 A CYS 158 1_555 ? ? ? ? ? ? ? 2.120 ? disulf4 disulf ? ? A CYS 170 SG ? ? ? 1_555 A CYS 192 SG ? ? A CYS 187 A CYS 209 1_555 ? ? ? ? ? ? ? 2.047 ? disulf5 disulf ? ? B CYS 21 SG ? ? ? 1_555 B CYS 63 SG ? ? B CYS 38 B CYS 80 1_555 ? ? ? ? ? ? ? 2.036 ? disulf6 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 32 SG ? ? B CYS 42 B CYS 49 1_555 ? ? ? ? ? ? ? 2.059 ? disulf7 disulf ? ? B CYS 110 SG ? ? ? 1_555 B CYS 141 SG ? ? B CYS 127 B CYS 158 1_555 ? ? ? ? ? ? ? 2.060 ? disulf8 disulf ? ? B CYS 170 SG ? ? ? 1_555 B CYS 192 SG ? ? B CYS 187 B CYS 209 1_555 ? ? ? ? ? ? ? 2.014 ? covale1 covale ? ? X NAG . O4 ? ? ? 1_555 Y BMA . C1 ? ? B NAG 504 B BMA 505 1_555 ? ? ? ? ? ? ? 1.426 ? covale2 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 503 A NAG 504 1_555 ? ? ? ? ? ? ? 1.429 ? covale3 covale ? ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? A NAG 504 A BMA 505 1_555 ? ? ? ? ? ? ? 1.433 ? covale4 covale ? ? B ASN 160 ND2 ? ? ? 1_555 W NAG . C1 ? ? B ASN 177 B NAG 503 1_555 ? ? ? ? ? ? ? 1.434 ? covale5 covale ? ? W NAG . O4 ? ? ? 1_555 X NAG . C1 ? ? B NAG 503 B NAG 504 1_555 ? ? ? ? ? ? ? 1.434 ? covale6 covale ? ? B ASN 107 ND2 ? ? ? 1_555 U NAG . C1 ? ? B ASN 124 B NAG 501 1_555 ? ? ? ? ? ? ? 1.434 ? covale7 covale ? ? A ASN 107 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 124 A NAG 501 1_555 ? ? ? ? ? ? ? 1.435 ? covale8 covale ? ? A ASN 160 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 177 A NAG 503 1_555 ? ? ? ? ? ? ? 1.435 ? covale9 covale ? ? U NAG . O4 ? ? ? 1_555 V NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.443 ? covale10 covale ? ? G BMA . O3 ? ? ? 1_555 H MAN . C1 ? ? A BMA 505 A MAN 506 1_555 ? ? ? ? ? ? ? 1.445 ? covale11 covale ? ? Y BMA . O6 ? ? ? 1_555 AA MAN . C1 ? ? B BMA 505 B MAN 507 1_555 ? ? ? ? ? ? ? 1.446 ? covale12 covale ? ? A ASN 368 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 385 A NAG 508 1_555 ? ? ? ? ? ? ? 1.446 ? covale13 covale ? ? B ASN 368 ND2 ? ? ? 1_555 BA NAG . C1 ? ? B ASN 385 B NAG 508 1_555 ? ? ? ? ? ? ? 1.447 ? covale14 covale ? ? G BMA . O6 ? ? ? 1_555 I MAN . C1 ? ? A BMA 505 A MAN 507 1_555 ? ? ? ? ? ? ? 1.448 ? covale15 covale ? ? Y BMA . O3 ? ? ? 1_555 Z MAN . C1 ? ? B BMA 505 B MAN 506 1_555 ? ? ? ? ? ? ? 1.450 ? covale16 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.451 ? # 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 PRO 180 A . ? PRO 197 A PRO 181 A ? PRO 198 A 1 3.08 2 PRO 180 B . ? PRO 197 B PRO 181 B ? PRO 198 B 1 3.87 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 2 ? C ? 6 ? D ? 2 ? E ? 8 ? F ? 2 ? G ? 6 ? H ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel A 2 3 ? parallel A 3 4 ? parallel A 4 5 ? parallel A 5 6 ? parallel A 6 7 ? parallel A 7 8 ? parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? parallel E 2 3 ? parallel E 3 4 ? parallel E 4 5 ? parallel E 5 6 ? parallel E 6 7 ? parallel E 7 8 ? parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel G 5 6 ? anti-parallel H 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TRP A 231 ? ASP A 233 ? TRP A 248 ASP A 250 A 2 LEU A 194 ? ARG A 196 ? LEU A 211 ARG A 213 A 3 ALA A 167 ? CYS A 170 ? ALA A 184 CYS A 187 A 4 MET A 135 ? ASP A 139 ? MET A 152 ASP A 156 A 5 LYS A 98 ? ASP A 104 ? LYS A 115 ASP A 121 A 6 TYR A 57 ? ASN A 59 ? TYR A 74 ASN A 76 A 7 MET A 11 ? LEU A 14 ? MET A 28 LEU A 31 A 8 LEU A 263 ? MET A 265 ? LEU A 280 MET A 282 B 1 ILE A 65 ? ARG A 68 ? ILE A 82 ARG A 85 B 2 LEU A 74 ? PRO A 76 ? LEU A 91 PRO A 93 C 1 ARG A 298 ? LYS A 302 ? ARG A 315 LYS A 319 C 2 ILE A 307 ? PRO A 313 ? ILE A 324 PRO A 330 C 3 SER A 319 ? SER A 325 ? SER A 336 SER A 342 C 4 VAL A 378 ? PRO A 385 ? VAL A 395 PRO A 402 C 5 TYR A 349 ? ASP A 353 ? TYR A 366 ASP A 370 C 6 ILE A 359 ? LEU A 363 ? ILE A 376 LEU A 380 D 1 TYR A 332 ? SER A 337 ? TYR A 349 SER A 354 D 2 ASN A 368 ? ILE A 373 ? ASN A 385 ILE A 390 E 1 TRP B 231 ? ASP B 233 ? TRP B 248 ASP B 250 E 2 LEU B 194 ? ARG B 196 ? LEU B 211 ARG B 213 E 3 ALA B 167 ? CYS B 170 ? ALA B 184 CYS B 187 E 4 MET B 135 ? ASP B 139 ? MET B 152 ASP B 156 E 5 LYS B 98 ? ASP B 104 ? LYS B 115 ASP B 121 E 6 TYR B 57 ? ASN B 59 ? TYR B 74 ASN B 76 E 7 MET B 11 ? LEU B 14 ? MET B 28 LEU B 31 E 8 LEU B 263 ? MET B 265 ? LEU B 280 MET B 282 F 1 ILE B 65 ? ARG B 68 ? ILE B 82 ARG B 85 F 2 LEU B 74 ? PRO B 76 ? LEU B 91 PRO B 93 G 1 ARG B 298 ? LYS B 302 ? ARG B 315 LYS B 319 G 2 ILE B 307 ? PRO B 313 ? ILE B 324 PRO B 330 G 3 SER B 319 ? SER B 325 ? SER B 336 SER B 342 G 4 VAL B 378 ? PRO B 385 ? VAL B 395 PRO B 402 G 5 TYR B 349 ? ASP B 353 ? TYR B 366 ASP B 370 G 6 ILE B 359 ? LEU B 363 ? ILE B 376 LEU B 380 H 1 TYR B 332 ? SER B 336 ? TYR B 349 SER B 353 H 2 PHE B 369 ? ILE B 373 ? PHE B 386 ILE B 390 # 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 O ASP A 233 ? O ASP A 250 N TRP A 195 ? N TRP A 212 A 2 3 O LEU A 194 ? O LEU A 211 N CYS A 170 ? N CYS A 187 A 3 4 O SER A 169 ? O SER A 186 N LEU A 136 ? N LEU A 153 A 4 5 O ASP A 139 ? O ASP A 156 N ALA A 103 ? N ALA A 120 A 5 6 O LYS A 98 ? O LYS A 115 N LEU A 58 ? N LEU A 75 A 6 7 O ASN A 59 ? O ASN A 76 N TRP A 13 ? N TRP A 30 A 7 8 N GLY A 12 ? N GLY A 29 O MET A 265 ? O MET A 282 B 1 2 N GLY A 66 ? N GLY A 83 O MET A 75 ? O MET A 92 C 1 2 N HIS A 301 ? N HIS A 318 O VAL A 309 ? O VAL A 326 C 2 3 N GLU A 308 ? N GLU A 325 O PHE A 324 ? O PHE A 341 C 3 4 N PHE A 323 ? N PHE A 340 O VAL A 379 ? O VAL A 396 C 4 5 O TYR A 384 ? O TYR A 401 N GLU A 350 ? N GLU A 367 C 5 6 N ALA A 351 ? N ALA A 368 O ILE A 360 ? O ILE A 377 D 1 2 N TYR A 334 ? N TYR A 351 O VAL A 371 ? O VAL A 388 E 1 2 O ASP B 233 ? O ASP B 250 N TRP B 195 ? N TRP B 212 E 2 3 O LEU B 194 ? O LEU B 211 N CYS B 170 ? N CYS B 187 E 3 4 O SER B 169 ? O SER B 186 N LEU B 136 ? N LEU B 153 E 4 5 O ASP B 139 ? O ASP B 156 N ALA B 103 ? N ALA B 120 E 5 6 O GLY B 100 ? O GLY B 117 N LEU B 58 ? N LEU B 75 E 6 7 O ASN B 59 ? O ASN B 76 N TRP B 13 ? N TRP B 30 E 7 8 N LEU B 14 ? N LEU B 31 O MET B 265 ? O MET B 282 F 1 2 N GLY B 66 ? N GLY B 83 O MET B 75 ? O MET B 92 G 1 2 N ILE B 300 ? N ILE B 317 O VAL B 309 ? O VAL B 326 G 2 3 N GLU B 308 ? N GLU B 325 O PHE B 324 ? O PHE B 341 G 3 4 N PHE B 323 ? N PHE B 340 O VAL B 379 ? O VAL B 396 G 4 5 O TYR B 384 ? O TYR B 401 N GLU B 350 ? N GLU B 367 G 5 6 N TYR B 349 ? N TYR B 366 O LEU B 363 ? O LEU B 380 H 1 2 N TYR B 334 ? N TYR B 351 O VAL B 371 ? O VAL B 388 # 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 ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 501' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE NAG A 503' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 504' AC5 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE BMA A 505' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 506' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 507' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 508' AC9 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE DGJ A 509' BC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CIT A 510' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 511' BC3 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE GOL A 512' BC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE GOL A 513' BC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL A 514' BC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL A 515' BC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GOL A 516' BC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 517' BC9 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL A 518' CC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG B 501' CC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 502' CC3 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE NAG B 503' CC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG B 504' CC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA B 505' CC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN B 506' CC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN B 507' CC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 508' CC9 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE DGJ B 509' DC1 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE CIT B 510' DC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL B 511' DC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL B 512' DC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE GOL B 513' DC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL B 514' DC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GOL B 515' DC7 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE GOL B 516' # 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 8 ASN A 107 ? ASN A 124 . ? 1_555 ? 2 AC1 8 PHE A 142 ? PHE A 159 . ? 1_555 ? 3 AC1 8 NAG D . ? NAG A 502 . ? 1_555 ? 4 AC1 8 HOH KA . ? HOH A 937 . ? 1_555 ? 5 AC1 8 HOH KA . ? HOH A 940 . ? 1_555 ? 6 AC1 8 HOH KA . ? HOH A 963 . ? 1_555 ? 7 AC1 8 HOH KA . ? HOH A 1013 . ? 1_555 ? 8 AC1 8 HOH KA . ? HOH A 1154 . ? 1_555 ? 9 AC2 4 NAG C . ? NAG A 501 . ? 1_555 ? 10 AC2 4 HOH KA . ? HOH A 902 . ? 1_555 ? 11 AC2 4 HOH KA . ? HOH A 1026 . ? 1_555 ? 12 AC2 4 HOH KA . ? HOH A 1137 . ? 1_555 ? 13 AC3 11 ASP A 2 ? ASP A 19 . ? 1_555 ? 14 AC3 11 ASN A 3 ? ASN A 20 . ? 1_555 ? 15 AC3 11 ASN A 160 ? ASN A 177 . ? 1_555 ? 16 AC3 11 GLY A 163 ? GLY A 180 . ? 1_555 ? 17 AC3 11 NAG F . ? NAG A 504 . ? 1_555 ? 18 AC3 11 HOH KA . ? HOH A 646 . ? 1_555 ? 19 AC3 11 HOH KA . ? HOH A 790 . ? 1_555 ? 20 AC3 11 HOH KA . ? HOH A 791 . ? 1_555 ? 21 AC3 11 HOH KA . ? HOH A 908 . ? 1_555 ? 22 AC3 11 HOH KA . ? HOH A 943 . ? 1_555 ? 23 AC3 11 HOH KA . ? HOH A 954 . ? 1_555 ? 24 AC4 8 ASP A 2 ? ASP A 19 . ? 1_555 ? 25 AC4 8 NAG E . ? NAG A 503 . ? 1_555 ? 26 AC4 8 BMA G . ? BMA A 505 . ? 1_555 ? 27 AC4 8 MAN I . ? MAN A 507 . ? 1_555 ? 28 AC4 8 HOH KA . ? HOH A 820 . ? 1_555 ? 29 AC4 8 HOH KA . ? HOH A 943 . ? 1_555 ? 30 AC4 8 HOH KA . ? HOH A 1042 . ? 1_555 ? 31 AC4 8 HOH LA . ? HOH B 769 . ? 4_555 ? 32 AC5 9 NAG F . ? NAG A 504 . ? 1_555 ? 33 AC5 9 MAN H . ? MAN A 506 . ? 1_555 ? 34 AC5 9 MAN I . ? MAN A 507 . ? 1_555 ? 35 AC5 9 HOH KA . ? HOH A 898 . ? 1_555 ? 36 AC5 9 HOH KA . ? HOH A 960 . ? 1_555 ? 37 AC5 9 HOH KA . ? HOH A 1042 . ? 1_555 ? 38 AC5 9 ARG B 44 ? ARG B 61 . ? 4_555 ? 39 AC5 9 GLN B 47 ? GLN B 64 . ? 4_555 ? 40 AC5 9 ASP B 48 ? ASP B 65 . ? 4_555 ? 41 AC6 4 BMA G . ? BMA A 505 . ? 1_555 ? 42 AC6 4 HOH KA . ? HOH A 962 . ? 1_555 ? 43 AC6 4 HOH KA . ? HOH A 996 . ? 1_555 ? 44 AC6 4 HOH LA . ? HOH B 937 . ? 4_555 ? 45 AC7 2 NAG F . ? NAG A 504 . ? 1_555 ? 46 AC7 2 BMA G . ? BMA A 505 . ? 1_555 ? 47 AC8 4 GLU A 366 ? GLU A 383 . ? 1_555 ? 48 AC8 4 ASN A 368 ? ASN A 385 . ? 1_555 ? 49 AC8 4 HOH KA . ? HOH A 804 . ? 1_555 ? 50 AC8 4 HOH KA . ? HOH A 847 . ? 1_555 ? 51 AC9 12 TRP A 16 ? TRP A 33 . ? 1_555 ? 52 AC9 12 ASP A 61 ? ASP A 78 . ? 1_555 ? 53 AC9 12 ASP A 62 ? ASP A 79 . ? 1_555 ? 54 AC9 12 TYR A 102 ? TYR A 119 . ? 1_555 ? 55 AC9 12 CYS A 110 ? CYS A 127 . ? 1_555 ? 56 AC9 12 LYS A 137 ? LYS A 154 . ? 1_555 ? 57 AC9 12 ASP A 139 ? ASP A 156 . ? 1_555 ? 58 AC9 12 ARG A 196 ? ARG A 213 . ? 1_555 ? 59 AC9 12 ASP A 200 ? ASP A 217 . ? 1_555 ? 60 AC9 12 GOL P . ? GOL A 514 . ? 1_555 ? 61 AC9 12 HOH KA . ? HOH A 608 . ? 1_555 ? 62 AC9 12 HOH KA . ? HOH A 965 . ? 1_555 ? 63 BC1 10 ILE A 23 ? ILE A 40 . ? 1_555 ? 64 BC1 10 ASN A 24 ? ASN A 41 . ? 1_555 ? 65 BC1 10 CYS A 25 ? CYS A 42 . ? 1_555 ? 66 BC1 10 ASP A 26 ? ASP A 43 . ? 1_555 ? 67 BC1 10 ASP A 77 ? ASP A 94 . ? 1_555 ? 68 BC1 10 LYS A 79 ? LYS A 96 . ? 1_555 ? 69 BC1 10 ARG A 80 ? ARG A 97 . ? 1_555 ? 70 BC1 10 HOH KA . ? HOH A 901 . ? 1_555 ? 71 BC1 10 HOH KA . ? HOH A 950 . ? 1_555 ? 72 BC1 10 HOH KA . ? HOH A 1155 . ? 1_555 ? 73 BC2 6 ASN A 31 ? ASN A 48 . ? 1_555 ? 74 BC2 6 ASP A 268 ? ASP A 285 . ? 1_555 ? 75 BC2 6 ARG A 270 ? ARG A 287 . ? 1_555 ? 76 BC2 6 THR A 271 ? THR A 288 . ? 1_555 ? 77 BC2 6 HOH KA . ? HOH A 823 . ? 1_555 ? 78 BC2 6 HOH KA . ? HOH A 1065 . ? 1_555 ? 79 BC3 13 LEU A 6 ? LEU A 23 . ? 1_555 ? 80 BC3 13 THR A 8 ? THR A 25 . ? 1_555 ? 81 BC3 13 PRO A 9 ? PRO A 26 . ? 1_555 ? 82 BC3 13 PRO A 10 ? PRO A 27 . ? 1_555 ? 83 BC3 13 MET A 11 ? MET A 28 . ? 1_555 ? 84 BC3 13 GLY A 54 ? GLY A 71 . ? 1_555 ? 85 BC3 13 THR A 56 ? THR A 73 . ? 1_555 ? 86 BC3 13 TYR A 57 ? TYR A 74 . ? 1_555 ? 87 BC3 13 GLN A 290 ? GLN A 307 . ? 1_555 ? 88 BC3 13 HOH KA . ? HOH A 805 . ? 1_555 ? 89 BC3 13 HOH KA . ? HOH A 840 . ? 1_555 ? 90 BC3 13 HOH KA . ? HOH A 1141 . ? 1_555 ? 91 BC3 13 HOH KA . ? HOH A 1149 . ? 1_555 ? 92 BC4 2 GLY A 112 ? GLY A 129 . ? 1_555 ? 93 BC4 2 HOH KA . ? HOH A 1113 . ? 1_555 ? 94 BC5 8 TRP A 16 ? TRP A 33 . ? 1_555 ? 95 BC5 8 CYS A 110 ? CYS A 127 . ? 1_555 ? 96 BC5 8 MET A 111 ? MET A 128 . ? 1_555 ? 97 BC5 8 ASP A 200 ? ASP A 217 . ? 1_555 ? 98 BC5 8 DGJ K . ? DGJ A 509 . ? 1_555 ? 99 BC5 8 GOL Q . ? GOL A 515 . ? 1_555 ? 100 BC5 8 HOH KA . ? HOH A 772 . ? 1_555 ? 101 BC5 8 HOH KA . ? HOH A 966 . ? 1_555 ? 102 BC6 7 ALA A 174 ? ALA A 191 . ? 1_555 ? 103 BC6 7 TYR A 175 ? TYR A 192 . ? 1_555 ? 104 BC6 7 ASP A 200 ? ASP A 217 . ? 1_555 ? 105 BC6 7 GOL P . ? GOL A 514 . ? 1_555 ? 106 BC6 7 HOH KA . ? HOH A 772 . ? 1_555 ? 107 BC6 7 HOH KA . ? HOH A 964 . ? 1_555 ? 108 BC6 7 HOH KA . ? HOH A 1021 . ? 1_555 ? 109 BC7 5 ARG A 327 ? ARG A 344 . ? 1_555 ? 110 BC7 5 THR A 328 ? THR A 345 . ? 1_555 ? 111 BC7 5 ASP A 329 ? ASP A 346 . ? 1_555 ? 112 BC7 5 HOH KA . ? HOH A 1037 . ? 1_555 ? 113 BC7 5 GLN B 202 ? GLN B 219 . ? 1_555 ? 114 BC8 6 LEU A 209 ? LEU A 226 . ? 1_555 ? 115 BC8 6 LEU A 212 ? LEU A 229 . ? 1_555 ? 116 BC8 6 ASN A 213 ? ASN A 230 . ? 1_555 ? 117 BC8 6 GLU A 308 ? GLU A 325 . ? 1_555 ? 118 BC8 6 TYR A 310 ? TYR A 327 . ? 1_555 ? 119 BC8 6 CYS A 326 ? CYS A 343 . ? 1_555 ? 120 BC9 7 PRO A 29 ? PRO A 46 . ? 1_555 ? 121 BC9 7 SER A 34 ? SER A 51 . ? 1_555 ? 122 BC9 7 GLU A 35 ? GLU A 52 . ? 1_555 ? 123 BC9 7 GLN A 36 ? GLN A 53 . ? 1_555 ? 124 BC9 7 LYS A 79 ? LYS A 96 . ? 1_555 ? 125 BC9 7 ARG A 80 ? ARG A 97 . ? 1_555 ? 126 BC9 7 HOH KA . ? HOH A 1116 . ? 1_555 ? 127 CC1 7 ASN B 107 ? ASN B 124 . ? 1_555 ? 128 CC1 7 PHE B 142 ? PHE B 159 . ? 1_555 ? 129 CC1 7 SER B 143 ? SER B 160 . ? 1_555 ? 130 CC1 7 NAG V . ? NAG B 502 . ? 1_555 ? 131 CC1 7 HOH LA . ? HOH B 799 . ? 1_555 ? 132 CC1 7 HOH LA . ? HOH B 803 . ? 1_555 ? 133 CC1 7 HOH LA . ? HOH B 839 . ? 1_555 ? 134 CC2 3 NAG U . ? NAG B 501 . ? 1_555 ? 135 CC2 3 HOH LA . ? HOH B 813 . ? 1_555 ? 136 CC2 3 HOH LA . ? HOH B 839 . ? 1_555 ? 137 CC3 12 ARG A 182 ? ARG A 199 . ? 4_546 ? 138 CC3 12 ASP B 2 ? ASP B 19 . ? 1_555 ? 139 CC3 12 ASN B 3 ? ASN B 20 . ? 1_555 ? 140 CC3 12 ASN B 160 ? ASN B 177 . ? 1_555 ? 141 CC3 12 GLY B 163 ? GLY B 180 . ? 1_555 ? 142 CC3 12 NAG X . ? NAG B 504 . ? 1_555 ? 143 CC3 12 HOH LA . ? HOH B 634 . ? 1_555 ? 144 CC3 12 HOH LA . ? HOH B 644 . ? 1_555 ? 145 CC3 12 HOH LA . ? HOH B 684 . ? 1_555 ? 146 CC3 12 HOH LA . ? HOH B 758 . ? 1_555 ? 147 CC3 12 HOH LA . ? HOH B 802 . ? 1_555 ? 148 CC3 12 HOH LA . ? HOH B 908 . ? 1_555 ? 149 CC4 6 ASP B 2 ? ASP B 19 . ? 1_555 ? 150 CC4 6 NAG W . ? NAG B 503 . ? 1_555 ? 151 CC4 6 BMA Y . ? BMA B 505 . ? 1_555 ? 152 CC4 6 MAN AA . ? MAN B 507 . ? 1_555 ? 153 CC4 6 HOH LA . ? HOH B 939 . ? 1_555 ? 154 CC4 6 HOH LA . ? HOH B 1030 . ? 1_555 ? 155 CC5 3 NAG X . ? NAG B 504 . ? 1_555 ? 156 CC5 3 MAN Z . ? MAN B 506 . ? 1_555 ? 157 CC5 3 MAN AA . ? MAN B 507 . ? 1_555 ? 158 CC6 1 BMA Y . ? BMA B 505 . ? 1_555 ? 159 CC7 2 NAG X . ? NAG B 504 . ? 1_555 ? 160 CC7 2 BMA Y . ? BMA B 505 . ? 1_555 ? 161 CC8 3 GLU B 366 ? GLU B 383 . ? 1_555 ? 162 CC8 3 ASN B 368 ? ASN B 385 . ? 1_555 ? 163 CC8 3 HOH LA . ? HOH B 902 . ? 1_555 ? 164 CC9 13 TRP B 16 ? TRP B 33 . ? 1_555 ? 165 CC9 13 ASP B 61 ? ASP B 78 . ? 1_555 ? 166 CC9 13 ASP B 62 ? ASP B 79 . ? 1_555 ? 167 CC9 13 TYR B 102 ? TYR B 119 . ? 1_555 ? 168 CC9 13 CYS B 110 ? CYS B 127 . ? 1_555 ? 169 CC9 13 MET B 111 ? MET B 128 . ? 1_555 ? 170 CC9 13 LYS B 137 ? LYS B 154 . ? 1_555 ? 171 CC9 13 ASP B 139 ? ASP B 156 . ? 1_555 ? 172 CC9 13 ARG B 196 ? ARG B 213 . ? 1_555 ? 173 CC9 13 ASP B 200 ? ASP B 217 . ? 1_555 ? 174 CC9 13 GOL FA . ? GOL B 512 . ? 1_555 ? 175 CC9 13 HOH LA . ? HOH B 616 . ? 1_555 ? 176 CC9 13 HOH LA . ? HOH B 744 . ? 1_555 ? 177 DC1 9 ILE B 23 ? ILE B 40 . ? 1_555 ? 178 DC1 9 ASN B 24 ? ASN B 41 . ? 1_555 ? 179 DC1 9 CYS B 25 ? CYS B 42 . ? 1_555 ? 180 DC1 9 ASP B 26 ? ASP B 43 . ? 1_555 ? 181 DC1 9 ASP B 77 ? ASP B 94 . ? 1_555 ? 182 DC1 9 LYS B 79 ? LYS B 96 . ? 1_555 ? 183 DC1 9 ARG B 80 ? ARG B 97 . ? 1_555 ? 184 DC1 9 HOH LA . ? HOH B 1004 . ? 1_555 ? 185 DC1 9 HOH LA . ? HOH B 1033 . ? 1_555 ? 186 DC2 6 LEU B 209 ? LEU B 226 . ? 1_555 ? 187 DC2 6 LEU B 212 ? LEU B 229 . ? 1_555 ? 188 DC2 6 ASN B 213 ? ASN B 230 . ? 1_555 ? 189 DC2 6 GLU B 308 ? GLU B 325 . ? 1_555 ? 190 DC2 6 TYR B 310 ? TYR B 327 . ? 1_555 ? 191 DC2 6 CYS B 326 ? CYS B 343 . ? 1_555 ? 192 DC3 6 TRP B 16 ? TRP B 33 . ? 1_555 ? 193 DC3 6 CYS B 110 ? CYS B 127 . ? 1_555 ? 194 DC3 6 MET B 111 ? MET B 128 . ? 1_555 ? 195 DC3 6 ASP B 200 ? ASP B 217 . ? 1_555 ? 196 DC3 6 DGJ CA . ? DGJ B 509 . ? 1_555 ? 197 DC3 6 HOH LA . ? HOH B 860 . ? 1_555 ? 198 DC4 2 MET B 111 ? MET B 128 . ? 1_555 ? 199 DC4 2 TYR B 113 ? TYR B 130 . ? 1_555 ? 200 DC5 6 ALA B 174 ? ALA B 191 . ? 1_555 ? 201 DC5 6 TYR B 175 ? TYR B 192 . ? 1_555 ? 202 DC5 6 ASP B 200 ? ASP B 217 . ? 1_555 ? 203 DC5 6 HOH LA . ? HOH B 734 . ? 1_555 ? 204 DC5 6 HOH LA . ? HOH B 863 . ? 1_555 ? 205 DC5 6 HOH LA . ? HOH B 1052 . ? 1_555 ? 206 DC6 5 GLN A 202 ? GLN A 219 . ? 1_555 ? 207 DC6 5 ARG B 327 ? ARG B 344 . ? 1_555 ? 208 DC6 5 THR B 328 ? THR B 345 . ? 1_555 ? 209 DC6 5 ASP B 329 ? ASP B 346 . ? 1_555 ? 210 DC6 5 HOH LA . ? HOH B 865 . ? 1_555 ? 211 DC7 11 LEU B 6 ? LEU B 23 . ? 1_555 ? 212 DC7 11 THR B 8 ? THR B 25 . ? 1_555 ? 213 DC7 11 PRO B 9 ? PRO B 26 . ? 1_555 ? 214 DC7 11 PRO B 10 ? PRO B 27 . ? 1_555 ? 215 DC7 11 MET B 11 ? MET B 28 . ? 1_555 ? 216 DC7 11 THR B 56 ? THR B 73 . ? 1_555 ? 217 DC7 11 TYR B 57 ? TYR B 74 . ? 1_555 ? 218 DC7 11 GLN B 290 ? GLN B 307 . ? 1_555 ? 219 DC7 11 HOH LA . ? HOH B 768 . ? 1_555 ? 220 DC7 11 HOH LA . ? HOH B 790 . ? 1_555 ? 221 DC7 11 HOH LA . ? HOH B 882 . ? 1_555 ? # _atom_sites.entry_id 4DO5 _atom_sites.fract_transf_matrix[1][1] 0.006479 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000639 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008733 _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] 0.014658 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LEU A 1 1 ? 55.560 14.564 12.554 1.00 19.54 ? 18 LEU A N 1 ATOM 2 C CA . LEU A 1 1 ? 56.936 15.027 12.176 1.00 19.45 ? 18 LEU A CA 1 ATOM 3 C C . LEU A 1 1 ? 56.816 15.816 10.875 1.00 20.70 ? 18 LEU A C 1 ATOM 4 O O . LEU A 1 1 ? 56.233 15.330 9.903 1.00 21.61 ? 18 LEU A O 1 ATOM 5 C CB . LEU A 1 1 ? 57.865 13.820 12.019 1.00 20.69 ? 18 LEU A CB 1 ATOM 6 C CG . LEU A 1 1 ? 59.293 14.009 11.509 1.00 21.78 ? 18 LEU A CG 1 ATOM 7 C CD1 . LEU A 1 1 ? 60.080 15.006 12.384 1.00 22.87 ? 18 LEU A CD1 1 ATOM 8 C CD2 . LEU A 1 1 ? 60.002 12.645 11.453 1.00 19.21 ? 18 LEU A CD2 1 ATOM 9 N N . ASP A 1 2 ? 57.349 17.031 10.869 1.00 23.47 ? 19 ASP A N 1 ATOM 10 C CA . ASP A 1 2 ? 57.115 17.996 9.785 1.00 24.35 ? 19 ASP A CA 1 ATOM 11 C C . ASP A 1 2 ? 58.125 17.831 8.645 1.00 24.59 ? 19 ASP A C 1 ATOM 12 O O . ASP A 1 2 ? 58.820 18.772 8.263 1.00 23.85 ? 19 ASP A O 1 ATOM 13 C CB . ASP A 1 2 ? 57.175 19.409 10.365 1.00 26.08 ? 19 ASP A CB 1 ATOM 14 C CG . ASP A 1 2 ? 56.570 20.455 9.443 1.00 32.79 ? 19 ASP A CG 1 ATOM 15 O OD1 . ASP A 1 2 ? 55.692 20.110 8.615 1.00 36.48 ? 19 ASP A OD1 1 ATOM 16 O OD2 . ASP A 1 2 ? 56.974 21.626 9.581 1.00 36.21 ? 19 ASP A OD2 1 ATOM 17 N N . ASN A 1 3 ? 58.175 16.626 8.090 1.00 22.45 ? 20 ASN A N 1 ATOM 18 C CA . ASN A 1 3 ? 59.112 16.292 7.029 1.00 19.86 ? 20 ASN A CA 1 ATOM 19 C C . ASN A 1 3 ? 58.423 16.089 5.686 1.00 22.84 ? 20 ASN A C 1 ATOM 20 O O . ASN A 1 3 ? 59.048 15.598 4.746 1.00 23.34 ? 20 ASN A O 1 ATOM 21 C CB . ASN A 1 3 ? 59.948 15.066 7.398 1.00 21.28 ? 20 ASN A CB 1 ATOM 22 C CG . ASN A 1 3 ? 59.102 13.830 7.657 1.00 18.87 ? 20 ASN A CG 1 ATOM 23 O OD1 . ASN A 1 3 ? 57.888 13.856 7.461 1.00 19.73 ? 20 ASN A OD1 1 ATOM 24 N ND2 . ASN A 1 3 ? 59.749 12.741 8.103 1.00 19.21 ? 20 ASN A ND2 1 ATOM 25 N N . GLY A 1 4 ? 57.147 16.470 5.607 1.00 23.10 ? 21 GLY A N 1 ATOM 26 C CA . GLY A 1 4 ? 56.380 16.394 4.368 1.00 26.21 ? 21 GLY A CA 1 ATOM 27 C C . GLY A 1 4 ? 55.811 15.019 4.071 1.00 25.87 ? 21 GLY A C 1 ATOM 28 O O . GLY A 1 4 ? 55.024 14.860 3.138 1.00 27.64 ? 21 GLY A O 1 ATOM 29 N N . LEU A 1 5 ? 56.180 14.035 4.883 1.00 19.19 ? 22 LEU A N 1 ATOM 30 C CA . LEU A 1 5 ? 55.835 12.632 4.627 1.00 18.78 ? 22 LEU A CA 1 ATOM 31 C C . LEU A 1 5 ? 54.599 12.164 5.399 1.00 18.26 ? 22 LEU A C 1 ATOM 32 O O . LEU A 1 5 ? 54.260 12.692 6.466 1.00 18.73 ? 22 LEU A O 1 ATOM 33 C CB . LEU A 1 5 ? 57.001 11.706 4.955 1.00 19.26 ? 22 LEU A CB 1 ATOM 34 C CG . LEU A 1 5 ? 58.287 11.969 4.175 1.00 18.23 ? 22 LEU A CG 1 ATOM 35 C CD1 . LEU A 1 5 ? 59.377 10.976 4.645 1.00 19.61 ? 22 LEU A CD1 1 ATOM 36 C CD2 . LEU A 1 5 ? 58.039 11.884 2.655 1.00 23.32 ? 22 LEU A CD2 1 ATOM 37 N N . LEU A 1 6 ? 53.938 11.160 4.826 1.00 18.75 ? 23 LEU A N 1 ATOM 38 C CA . LEU A 1 6 ? 52.812 10.471 5.470 1.00 18.30 ? 23 LEU A CA 1 ATOM 39 C C . LEU A 1 6 ? 51.727 11.458 5.900 1.00 19.94 ? 23 LEU A C 1 ATOM 40 O O . LEU A 1 6 ? 51.211 11.428 7.026 1.00 19.49 ? 23 LEU A O 1 ATOM 41 C CB . LEU A 1 6 ? 53.308 9.611 6.633 1.00 18.55 ? 23 LEU A CB 1 ATOM 42 C CG . LEU A 1 6 ? 54.339 8.523 6.278 1.00 19.41 ? 23 LEU A CG 1 ATOM 43 C CD1 . LEU A 1 6 ? 54.599 7.573 7.452 1.00 18.27 ? 23 LEU A CD1 1 ATOM 44 C CD2 . LEU A 1 6 ? 53.994 7.753 5.019 1.00 22.88 ? 23 LEU A CD2 1 ATOM 45 N N . GLN A 1 7 ? 51.340 12.308 4.953 1.00 17.00 ? 24 GLN A N 1 ATOM 46 C CA . GLN A 1 7 ? 50.193 13.180 5.132 1.00 19.19 ? 24 GLN A CA 1 ATOM 47 C C . GLN A 1 7 ? 48.872 12.390 5.162 1.00 18.39 ? 24 GLN A C 1 ATOM 48 O O . GLN A 1 7 ? 47.843 12.905 5.613 1.00 19.26 ? 24 GLN A O 1 ATOM 49 C CB . GLN A 1 7 ? 50.192 14.251 4.059 1.00 21.81 ? 24 GLN A CB 1 ATOM 50 C CG . GLN A 1 7 ? 51.351 15.231 4.200 1.00 24.99 ? 24 GLN A CG 1 ATOM 51 C CD . GLN A 1 7 ? 51.294 16.025 5.499 1.00 35.38 ? 24 GLN A CD 1 ATOM 52 O OE1 . GLN A 1 7 ? 52.175 15.910 6.360 1.00 49.14 ? 24 GLN A OE1 1 ATOM 53 N NE2 . GLN A 1 7 ? 50.240 16.805 5.657 1.00 36.94 ? 24 GLN A NE2 1 ATOM 54 N N . THR A 1 8 ? 48.940 11.136 4.712 1.00 19.21 ? 25 THR A N 1 ATOM 55 C CA . THR A 1 8 ? 47.934 10.111 4.978 1.00 17.06 ? 25 THR A CA 1 ATOM 56 C C . THR A 1 8 ? 48.653 8.906 5.613 1.00 16.24 ? 25 THR A C 1 ATOM 57 O O . THR A 1 8 ? 49.894 8.785 5.547 1.00 17.08 ? 25 THR A O 1 ATOM 58 C CB . THR A 1 8 ? 47.237 9.656 3.680 1.00 18.46 ? 25 THR A CB 1 ATOM 59 O OG1 . THR A 1 8 ? 48.213 9.100 2.786 1.00 21.11 ? 25 THR A OG1 1 ATOM 60 C CG2 . THR A 1 8 ? 46.485 10.814 3.004 1.00 21.14 ? 25 THR A CG2 1 ATOM 61 N N . PRO A 1 9 ? 47.894 7.996 6.232 1.00 17.13 ? 26 PRO A N 1 ATOM 62 C CA . PRO A 1 9 ? 48.625 6.916 6.909 1.00 15.98 ? 26 PRO A CA 1 ATOM 63 C C . PRO A 1 9 ? 49.427 6.049 5.925 1.00 15.56 ? 26 PRO A C 1 ATOM 64 O O . PRO A 1 9 ? 49.019 5.888 4.789 1.00 16.26 ? 26 PRO A O 1 ATOM 65 C CB . PRO A 1 9 ? 47.510 6.116 7.588 1.00 17.16 ? 26 PRO A CB 1 ATOM 66 C CG . PRO A 1 9 ? 46.420 7.104 7.791 1.00 15.82 ? 26 PRO A CG 1 ATOM 67 C CD . PRO A 1 9 ? 46.458 7.962 6.536 1.00 17.64 ? 26 PRO A CD 1 ATOM 68 N N . PRO A 1 10 ? 50.583 5.526 6.344 1.00 15.52 ? 27 PRO A N 1 ATOM 69 C CA . PRO A 1 10 ? 51.344 4.682 5.424 1.00 16.20 ? 27 PRO A CA 1 ATOM 70 C C . PRO A 1 10 ? 50.632 3.374 5.111 1.00 15.53 ? 27 PRO A C 1 ATOM 71 O O . PRO A 1 10 ? 49.951 2.809 5.963 1.00 15.77 ? 27 PRO A O 1 ATOM 72 C CB . PRO A 1 10 ? 52.633 4.409 6.182 1.00 16.60 ? 27 PRO A CB 1 ATOM 73 C CG . PRO A 1 10 ? 52.238 4.504 7.621 1.00 16.44 ? 27 PRO A CG 1 ATOM 74 C CD . PRO A 1 10 ? 51.193 5.563 7.687 1.00 14.35 ? 27 PRO A CD 1 ATOM 75 N N . MET A 1 11 ? 50.787 2.927 3.879 1.00 15.25 ? 28 MET A N 1 ATOM 76 C CA . MET A 1 11 ? 50.266 1.660 3.444 1.00 12.16 ? 28 MET A CA 1 ATOM 77 C C . MET A 1 11 ? 51.437 0.872 2.891 1.00 12.48 ? 28 MET A C 1 ATOM 78 O O . MET A 1 11 ? 52.291 1.409 2.185 1.00 14.03 ? 28 MET A O 1 ATOM 79 C CB . MET A 1 11 ? 49.233 1.864 2.351 1.00 14.82 ? 28 MET A CB 1 ATOM 80 C CG . MET A 1 11 ? 48.009 2.673 2.772 1.00 13.91 ? 28 MET A CG 1 ATOM 81 S SD . MET A 1 11 ? 46.884 3.010 1.412 1.00 17.55 ? 28 MET A SD 1 ATOM 82 C CE . MET A 1 11 ? 46.440 1.357 0.771 1.00 17.73 ? 28 MET A CE 1 ATOM 83 N N . GLY A 1 12 ? 51.465 -0.407 3.197 1.00 13.60 ? 29 GLY A N 1 ATOM 84 C CA . GLY A 1 12 ? 52.504 -1.265 2.687 1.00 13.39 ? 29 GLY A CA 1 ATOM 85 C C . GLY A 1 12 ? 52.499 -2.635 3.305 1.00 13.62 ? 29 GLY A C 1 ATOM 86 O O . GLY A 1 12 ? 51.452 -3.138 3.696 1.00 14.55 ? 29 GLY A O 1 ATOM 87 N N . TRP A 1 13 ? 53.682 -3.213 3.400 1.00 14.89 ? 30 TRP A N 1 ATOM 88 C CA . TRP A 1 13 ? 53.889 -4.578 3.876 1.00 13.22 ? 30 TRP A CA 1 ATOM 89 C C . TRP A 1 13 ? 55.090 -4.574 4.776 1.00 14.31 ? 30 TRP A C 1 ATOM 90 O O . TRP A 1 13 ? 56.090 -3.927 4.452 1.00 13.94 ? 30 TRP A O 1 ATOM 91 C CB . TRP A 1 13 ? 54.119 -5.471 2.654 1.00 14.16 ? 30 TRP A CB 1 ATOM 92 C CG . TRP A 1 13 ? 54.326 -6.927 2.941 1.00 12.52 ? 30 TRP A CG 1 ATOM 93 C CD1 . TRP A 1 13 ? 53.378 -7.925 2.887 1.00 15.25 ? 30 TRP A CD1 1 ATOM 94 C CD2 . TRP A 1 13 ? 55.565 -7.572 3.275 1.00 14.11 ? 30 TRP A CD2 1 ATOM 95 N NE1 . TRP A 1 13 ? 53.948 -9.129 3.218 1.00 15.81 ? 30 TRP A NE1 1 ATOM 96 C CE2 . TRP A 1 13 ? 55.290 -8.952 3.439 1.00 15.75 ? 30 TRP A CE2 1 ATOM 97 C CE3 . TRP A 1 13 ? 56.878 -7.121 3.419 1.00 15.04 ? 30 TRP A CE3 1 ATOM 98 C CZ2 . TRP A 1 13 ? 56.287 -9.883 3.737 1.00 16.65 ? 30 TRP A CZ2 1 ATOM 99 C CZ3 . TRP A 1 13 ? 57.868 -8.048 3.760 1.00 14.31 ? 30 TRP A CZ3 1 ATOM 100 C CH2 . TRP A 1 13 ? 57.557 -9.400 3.938 1.00 14.98 ? 30 TRP A CH2 1 ATOM 101 N N . LEU A 1 14 ? 55.002 -5.300 5.890 1.00 11.77 ? 31 LEU A N 1 ATOM 102 C CA . LEU A 1 14 ? 56.058 -5.354 6.889 1.00 13.43 ? 31 LEU A CA 1 ATOM 103 C C . LEU A 1 14 ? 56.292 -6.829 7.186 1.00 14.26 ? 31 LEU A C 1 ATOM 104 O O . LEU A 1 14 ? 55.327 -7.575 7.363 1.00 15.30 ? 31 LEU A O 1 ATOM 105 C CB . LEU A 1 14 ? 55.571 -4.603 8.133 1.00 20.01 ? 31 LEU A CB 1 ATOM 106 C CG . LEU A 1 14 ? 56.522 -3.971 9.117 1.00 21.88 ? 31 LEU A CG 1 ATOM 107 C CD1 . LEU A 1 14 ? 55.763 -3.196 10.184 1.00 17.35 ? 31 LEU A CD1 1 ATOM 108 C CD2 . LEU A 1 14 ? 57.357 -5.028 9.772 1.00 26.11 ? 31 LEU A CD2 1 ATOM 109 N N . ALA A 1 15 ? 57.549 -7.272 7.226 1.00 13.17 ? 32 ALA A N 1 ATOM 110 C CA . ALA A 1 15 ? 57.866 -8.692 7.352 1.00 13.32 ? 32 ALA A CA 1 ATOM 111 C C . ALA A 1 15 ? 57.453 -9.377 8.656 1.00 13.79 ? 32 ALA A C 1 ATOM 112 O O . ALA A 1 15 ? 57.268 -10.587 8.670 1.00 14.95 ? 32 ALA A O 1 ATOM 113 C CB . ALA A 1 15 ? 59.405 -8.926 7.162 1.00 13.62 ? 32 ALA A CB 1 ATOM 114 N N . TRP A 1 16 ? 57.350 -8.619 9.743 1.00 12.68 ? 33 TRP A N 1 ATOM 115 C CA . TRP A 1 16 ? 57.465 -9.229 11.056 1.00 11.25 ? 33 TRP A CA 1 ATOM 116 C C . TRP A 1 16 ? 56.361 -10.188 11.446 1.00 12.13 ? 33 TRP A C 1 ATOM 117 O O . TRP A 1 16 ? 56.639 -11.301 11.898 1.00 12.12 ? 33 TRP A O 1 ATOM 118 C CB . TRP A 1 16 ? 57.577 -8.166 12.141 1.00 11.78 ? 33 TRP A CB 1 ATOM 119 C CG . TRP A 1 16 ? 57.723 -8.797 13.487 1.00 9.87 ? 33 TRP A CG 1 ATOM 120 C CD1 . TRP A 1 16 ? 56.766 -8.869 14.451 1.00 12.56 ? 33 TRP A CD1 1 ATOM 121 C CD2 . TRP A 1 16 ? 58.866 -9.520 13.990 1.00 11.27 ? 33 TRP A CD2 1 ATOM 122 N NE1 . TRP A 1 16 ? 57.255 -9.552 15.543 1.00 12.98 ? 33 TRP A NE1 1 ATOM 123 C CE2 . TRP A 1 16 ? 58.530 -9.980 15.262 1.00 14.84 ? 33 TRP A CE2 1 ATOM 124 C CE3 . TRP A 1 16 ? 60.145 -9.817 13.474 1.00 11.99 ? 33 TRP A CE3 1 ATOM 125 C CZ2 . TRP A 1 16 ? 59.409 -10.710 16.033 1.00 13.93 ? 33 TRP A CZ2 1 ATOM 126 C CZ3 . TRP A 1 16 ? 61.018 -10.559 14.256 1.00 13.63 ? 33 TRP A CZ3 1 ATOM 127 C CH2 . TRP A 1 16 ? 60.648 -10.995 15.506 1.00 14.96 ? 33 TRP A CH2 1 ATOM 128 N N . GLU A 1 17 ? 55.093 -9.785 11.312 1.00 13.10 ? 34 GLU A N 1 ATOM 129 C CA . GLU A 1 17 ? 54.046 -10.614 11.914 1.00 13.05 ? 34 GLU A CA 1 ATOM 130 C C . GLU A 1 17 ? 54.074 -12.021 11.357 1.00 12.23 ? 34 GLU A C 1 ATOM 131 O O . GLU A 1 17 ? 53.969 -13.004 12.088 1.00 12.30 ? 34 GLU A O 1 ATOM 132 C CB . GLU A 1 17 ? 52.658 -10.000 11.749 1.00 13.46 ? 34 GLU A CB 1 ATOM 133 C CG . GLU A 1 17 ? 51.650 -10.478 12.815 1.00 15.96 ? 34 GLU A CG 1 ATOM 134 C CD . GLU A 1 17 ? 51.222 -11.915 12.632 1.00 16.49 ? 34 GLU A CD 1 ATOM 135 O OE1 . GLU A 1 17 ? 50.960 -12.310 11.468 1.00 14.53 ? 34 GLU A OE1 1 ATOM 136 O OE2 . GLU A 1 17 ? 51.177 -12.664 13.633 1.00 14.97 ? 34 GLU A OE2 1 ATOM 137 N N . ARG A 1 18 ? 54.124 -12.119 10.034 1.00 12.06 ? 35 ARG A N 1 ATOM 138 C CA . ARG A 1 18 ? 54.064 -13.405 9.389 1.00 11.59 ? 35 ARG A CA 1 ATOM 139 C C . ARG A 1 18 ? 55.385 -14.174 9.301 1.00 14.68 ? 35 ARG A C 1 ATOM 140 O O . ARG A 1 18 ? 55.369 -15.407 9.304 1.00 14.36 ? 35 ARG A O 1 ATOM 141 C CB . ARG A 1 18 ? 53.469 -13.221 8.006 1.00 13.16 ? 35 ARG A CB 1 ATOM 142 C CG . ARG A 1 18 ? 53.428 -14.478 7.110 1.00 11.81 ? 35 ARG A CG 1 ATOM 143 C CD . ARG A 1 18 ? 52.602 -15.604 7.760 1.00 13.61 ? 35 ARG A CD 1 ATOM 144 N NE . ARG A 1 18 ? 52.600 -16.806 6.918 1.00 14.84 ? 35 ARG A NE 1 ATOM 145 C CZ . ARG A 1 18 ? 53.618 -17.660 6.836 1.00 15.30 ? 35 ARG A CZ 1 ATOM 146 N NH1 . ARG A 1 18 ? 54.700 -17.515 7.591 1.00 17.62 ? 35 ARG A NH1 1 ATOM 147 N NH2 . ARG A 1 18 ? 53.529 -18.711 6.023 1.00 19.63 ? 35 ARG A NH2 1 ATOM 148 N N . PHE A 1 19 ? 56.509 -13.466 9.161 1.00 13.37 ? 36 PHE A N 1 ATOM 149 C CA . PHE A 1 19 ? 57.778 -14.142 8.918 1.00 12.51 ? 36 PHE A CA 1 ATOM 150 C C . PHE A 1 19 ? 58.771 -14.102 10.085 1.00 13.90 ? 36 PHE A C 1 ATOM 151 O O . PHE A 1 19 ? 59.716 -14.905 10.125 1.00 15.46 ? 36 PHE A O 1 ATOM 152 C CB . PHE A 1 19 ? 58.378 -13.631 7.594 1.00 13.91 ? 36 PHE A CB 1 ATOM 153 C CG . PHE A 1 19 ? 57.536 -13.971 6.411 1.00 13.88 ? 36 PHE A CG 1 ATOM 154 C CD1 . PHE A 1 19 ? 57.601 -15.236 5.893 1.00 14.79 ? 36 PHE A CD1 1 ATOM 155 C CD2 . PHE A 1 19 ? 56.634 -13.069 5.854 1.00 12.25 ? 36 PHE A CD2 1 ATOM 156 C CE1 . PHE A 1 19 ? 56.821 -15.604 4.852 1.00 16.29 ? 36 PHE A CE1 1 ATOM 157 C CE2 . PHE A 1 19 ? 55.824 -13.447 4.758 1.00 16.49 ? 36 PHE A CE2 1 ATOM 158 C CZ . PHE A 1 19 ? 55.923 -14.718 4.265 1.00 15.84 ? 36 PHE A CZ 1 ATOM 159 N N . ARG A 1 20 ? 58.546 -13.190 11.030 1.00 14.01 ? 37 ARG A N 1 ATOM 160 C CA . ARG A 1 20 ? 59.228 -13.134 12.316 1.00 12.09 ? 37 ARG A CA 1 ATOM 161 C C . ARG A 1 20 ? 60.768 -13.161 12.159 1.00 14.10 ? 37 ARG A C 1 ATOM 162 O O . ARG A 1 20 ? 61.302 -12.434 11.309 1.00 13.76 ? 37 ARG A O 1 ATOM 163 C CB . ARG A 1 20 ? 58.728 -14.223 13.283 1.00 15.21 ? 37 ARG A CB 1 ATOM 164 C CG . ARG A 1 20 ? 57.200 -14.199 13.506 1.00 13.93 ? 37 ARG A CG 1 ATOM 165 C CD . ARG A 1 20 ? 56.782 -13.109 14.463 1.00 13.54 ? 37 ARG A CD 1 ATOM 166 N NE . ARG A 1 20 ? 55.335 -12.997 14.560 1.00 13.68 ? 37 ARG A NE 1 ATOM 167 C CZ . ARG A 1 20 ? 54.610 -12.904 15.664 1.00 14.87 ? 37 ARG A CZ 1 ATOM 168 N NH1 . ARG A 1 20 ? 55.183 -12.891 16.855 1.00 14.83 ? 37 ARG A NH1 1 ATOM 169 N NH2 . ARG A 1 20 ? 53.295 -12.807 15.580 1.00 15.47 ? 37 ARG A NH2 1 ATOM 170 N N . CYS A 1 21 ? 61.448 -13.961 12.976 1.00 15.36 ? 38 CYS A N 1 ATOM 171 C CA . CYS A 1 21 ? 62.903 -14.043 12.980 1.00 14.22 ? 38 CYS A CA 1 ATOM 172 C C . CYS A 1 21 ? 63.387 -15.371 12.391 1.00 15.81 ? 38 CYS A C 1 ATOM 173 O O . CYS A 1 21 ? 64.322 -15.994 12.884 1.00 17.22 ? 38 CYS A O 1 ATOM 174 C CB . CYS A 1 21 ? 63.459 -13.814 14.386 1.00 15.41 ? 38 CYS A CB 1 ATOM 175 S SG . CYS A 1 21 ? 65.229 -13.383 14.388 1.00 18.62 ? 38 CYS A SG 1 ATOM 176 N N . ASN A 1 22 ? 62.760 -15.792 11.304 1.00 15.42 ? 39 ASN A N 1 ATOM 177 C CA . ASN A 1 22 ? 63.127 -17.039 10.663 1.00 17.71 ? 39 ASN A CA 1 ATOM 178 C C . ASN A 1 22 ? 64.385 -16.822 9.829 1.00 18.37 ? 39 ASN A C 1 ATOM 179 O O . ASN A 1 22 ? 64.340 -16.179 8.781 1.00 19.11 ? 39 ASN A O 1 ATOM 180 C CB . ASN A 1 22 ? 61.983 -17.501 9.770 1.00 17.89 ? 39 ASN A CB 1 ATOM 181 C CG . ASN A 1 22 ? 62.255 -18.833 9.111 1.00 22.11 ? 39 ASN A CG 1 ATOM 182 O OD1 . ASN A 1 22 ? 63.327 -19.437 9.297 1.00 22.86 ? 39 ASN A OD1 1 ATOM 183 N ND2 . ASN A 1 22 ? 61.302 -19.283 8.303 1.00 19.53 ? 39 ASN A ND2 1 ATOM 184 N N . ILE A 1 23 ? 65.511 -17.320 10.310 1.00 14.83 ? 40 ILE A N 1 ATOM 185 C CA . ILE A 1 23 ? 66.775 -17.126 9.604 1.00 15.33 ? 40 ILE A CA 1 ATOM 186 C C . ILE A 1 23 ? 67.338 -18.434 9.063 1.00 21.27 ? 40 ILE A C 1 ATOM 187 O O . ILE A 1 23 ? 68.491 -18.475 8.634 1.00 23.59 ? 40 ILE A O 1 ATOM 188 C CB . ILE A 1 23 ? 67.831 -16.420 10.485 1.00 18.55 ? 40 ILE A CB 1 ATOM 189 C CG1 . ILE A 1 23 ? 68.178 -17.292 11.696 1.00 23.43 ? 40 ILE A CG1 1 ATOM 190 C CG2 . ILE A 1 23 ? 67.356 -15.008 10.855 1.00 19.08 ? 40 ILE A CG2 1 ATOM 191 C CD1 . ILE A 1 23 ? 69.522 -16.961 12.331 1.00 33.05 ? 40 ILE A CD1 1 ATOM 192 N N . ASN A 1 24 ? 66.515 -19.486 9.051 1.00 19.60 ? 41 ASN A N 1 ATOM 193 C CA . ASN A 1 24 ? 66.963 -20.800 8.624 1.00 22.78 ? 41 ASN A CA 1 ATOM 194 C C . ASN A 1 24 ? 66.758 -20.952 7.131 1.00 20.22 ? 41 ASN A C 1 ATOM 195 O O . ASN A 1 24 ? 65.815 -21.607 6.674 1.00 23.21 ? 41 ASN A O 1 ATOM 196 C CB . ASN A 1 24 ? 66.215 -21.878 9.388 1.00 25.52 ? 41 ASN A CB 1 ATOM 197 C CG . ASN A 1 24 ? 66.787 -23.263 9.147 1.00 37.20 ? 41 ASN A CG 1 ATOM 198 O OD1 . ASN A 1 24 ? 67.622 -23.466 8.252 1.00 32.25 ? 41 ASN A OD1 1 ATOM 199 N ND2 . ASN A 1 24 ? 66.339 -24.222 9.942 1.00 38.46 ? 41 ASN A ND2 1 ATOM 200 N N . CYS A 1 25 ? 67.631 -20.318 6.357 1.00 20.09 ? 42 CYS A N 1 ATOM 201 C CA . CYS A 1 25 ? 67.463 -20.357 4.900 1.00 20.50 ? 42 CYS A CA 1 ATOM 202 C C . CYS A 1 25 ? 67.869 -21.712 4.333 1.00 22.75 ? 42 CYS A C 1 ATOM 203 O O . CYS A 1 25 ? 67.383 -22.094 3.269 1.00 25.53 ? 42 CYS A O 1 ATOM 204 C CB . CYS A 1 25 ? 68.222 -19.225 4.219 1.00 28.67 ? 42 CYS A CB 1 ATOM 205 S SG . CYS A 1 25 ? 67.595 -17.572 4.650 1.00 25.70 ? 42 CYS A SG 1 ATOM 206 N N . ASP A 1 26 ? 68.716 -22.448 5.049 1.00 25.15 ? 43 ASP A N 1 ATOM 207 C CA . ASP A 1 26 ? 69.121 -23.793 4.578 1.00 28.35 ? 43 ASP A CA 1 ATOM 208 C C . ASP A 1 26 ? 67.917 -24.741 4.557 1.00 30.74 ? 43 ASP A C 1 ATOM 209 O O . ASP A 1 26 ? 67.708 -25.468 3.586 1.00 34.28 ? 43 ASP A O 1 ATOM 210 C CB . ASP A 1 26 ? 70.244 -24.377 5.451 1.00 31.81 ? 43 ASP A CB 1 ATOM 211 C CG . ASP A 1 26 ? 71.597 -23.661 5.263 1.00 35.04 ? 43 ASP A CG 1 ATOM 212 O OD1 . ASP A 1 26 ? 71.780 -22.886 4.295 1.00 41.19 ? 43 ASP A OD1 1 ATOM 213 O OD2 . ASP A 1 26 ? 72.489 -23.884 6.111 1.00 52.76 ? 43 ASP A OD2 1 ATOM 214 N N . GLU A 1 27 ? 67.109 -24.719 5.615 1.00 28.19 ? 44 GLU A N 1 ATOM 215 C CA . GLU A 1 27 ? 65.946 -25.602 5.712 1.00 31.08 ? 44 GLU A CA 1 ATOM 216 C C . GLU A 1 27 ? 64.670 -24.987 5.164 1.00 31.25 ? 44 GLU A C 1 ATOM 217 O O . GLU A 1 27 ? 63.773 -25.720 4.758 1.00 29.00 ? 44 GLU A O 1 ATOM 218 C CB . GLU A 1 27 ? 65.714 -26.035 7.157 1.00 36.63 ? 44 GLU A CB 1 ATOM 219 C CG . GLU A 1 27 ? 66.798 -26.965 7.709 1.00 56.80 ? 44 GLU A CG 1 ATOM 220 C CD . GLU A 1 27 ? 66.366 -27.702 8.972 1.00 68.65 ? 44 GLU A CD 1 ATOM 221 O OE1 . GLU A 1 27 ? 66.947 -28.772 9.259 1.00 78.02 ? 44 GLU A OE1 1 ATOM 222 O OE2 . GLU A 1 27 ? 65.443 -27.221 9.671 1.00 74.78 ? 44 GLU A OE2 1 ATOM 223 N N . ASP A 1 28 ? 64.579 -23.651 5.156 1.00 23.79 ? 45 ASP A N 1 ATOM 224 C CA . ASP A 1 28 ? 63.326 -22.970 4.816 1.00 20.99 ? 45 ASP A CA 1 ATOM 225 C C . ASP A 1 28 ? 63.598 -21.745 3.919 1.00 20.56 ? 45 ASP A C 1 ATOM 226 O O . ASP A 1 28 ? 63.259 -20.597 4.279 1.00 19.65 ? 45 ASP A O 1 ATOM 227 C CB . ASP A 1 28 ? 62.625 -22.564 6.120 1.00 23.77 ? 45 ASP A CB 1 ATOM 228 C CG . ASP A 1 28 ? 61.166 -22.177 5.928 1.00 25.00 ? 45 ASP A CG 1 ATOM 229 O OD1 . ASP A 1 28 ? 60.606 -22.371 4.839 1.00 26.01 ? 45 ASP A OD1 1 ATOM 230 O OD2 . ASP A 1 28 ? 60.561 -21.658 6.884 1.00 22.38 ? 45 ASP A OD2 1 ATOM 231 N N . PRO A 1 29 ? 64.191 -21.983 2.734 1.00 22.11 ? 46 PRO A N 1 ATOM 232 C CA . PRO A 1 29 ? 64.635 -20.888 1.887 1.00 21.32 ? 46 PRO A CA 1 ATOM 233 C C . PRO A 1 29 ? 63.538 -19.953 1.390 1.00 20.13 ? 46 PRO A C 1 ATOM 234 O O . PRO A 1 29 ? 63.829 -18.789 1.117 1.00 21.38 ? 46 PRO A O 1 ATOM 235 C CB . PRO A 1 29 ? 65.307 -21.602 0.695 1.00 26.64 ? 46 PRO A CB 1 ATOM 236 C CG . PRO A 1 29 ? 64.792 -22.966 0.720 1.00 27.66 ? 46 PRO A CG 1 ATOM 237 C CD . PRO A 1 29 ? 64.529 -23.296 2.140 1.00 23.37 ? 46 PRO A CD 1 ATOM 238 N N . LYS A 1 30 ? 62.301 -20.443 1.285 1.00 20.07 ? 47 LYS A N 1 ATOM 239 C CA . LYS A 1 30 ? 61.202 -19.646 0.756 1.00 21.28 ? 47 LYS A CA 1 ATOM 240 C C . LYS A 1 30 ? 60.627 -18.659 1.763 1.00 18.90 ? 47 LYS A C 1 ATOM 241 O O . LYS A 1 30 ? 59.969 -17.691 1.384 1.00 21.03 ? 47 LYS A O 1 ATOM 242 C CB . LYS A 1 30 ? 60.064 -20.550 0.241 1.00 26.56 ? 47 LYS A CB 1 ATOM 243 C CG . LYS A 1 30 ? 60.330 -21.222 -1.098 1.00 36.31 ? 47 LYS A CG 1 ATOM 244 C CD . LYS A 1 30 ? 61.507 -22.187 -1.073 1.00 60.80 ? 47 LYS A CD 1 ATOM 245 C CE . LYS A 1 30 ? 61.660 -22.921 -2.411 1.00 70.02 ? 47 LYS A CE 1 ATOM 246 N NZ . LYS A 1 30 ? 63.020 -23.525 -2.578 1.00 51.80 ? 47 LYS A NZ 1 ATOM 247 N N . ASN A 1 31 ? 60.819 -18.931 3.054 1.00 18.11 ? 48 ASN A N 1 ATOM 248 C CA . ASN A 1 31 ? 60.178 -18.145 4.104 1.00 17.82 ? 48 ASN A CA 1 ATOM 249 C C . ASN A 1 31 ? 61.132 -17.460 5.045 1.00 15.37 ? 48 ASN A C 1 ATOM 250 O O . ASN A 1 31 ? 60.698 -16.695 5.898 1.00 17.82 ? 48 ASN A O 1 ATOM 251 C CB . ASN A 1 31 ? 59.224 -19.056 4.871 1.00 17.34 ? 48 ASN A CB 1 ATOM 252 C CG . ASN A 1 31 ? 58.212 -19.694 3.955 1.00 23.53 ? 48 ASN A CG 1 ATOM 253 O OD1 . ASN A 1 31 ? 57.472 -18.987 3.288 1.00 21.13 ? 48 ASN A OD1 1 ATOM 254 N ND2 . ASN A 1 31 ? 58.212 -21.026 3.874 1.00 24.02 ? 48 ASN A ND2 1 ATOM 255 N N . CYS A 1 32 ? 62.431 -17.711 4.909 1.00 19.26 ? 49 CYS A N 1 ATOM 256 C CA . CYS A 1 32 ? 63.398 -17.021 5.746 1.00 16.13 ? 49 CYS A CA 1 ATOM 257 C C . CYS A 1 32 ? 63.527 -15.535 5.400 1.00 15.40 ? 49 CYS A C 1 ATOM 258 O O . CYS A 1 32 ? 63.237 -15.100 4.280 1.00 18.26 ? 49 CYS A O 1 ATOM 259 C CB . CYS A 1 32 ? 64.762 -17.720 5.713 1.00 21.75 ? 49 CYS A CB 1 ATOM 260 S SG . CYS A 1 32 ? 65.612 -17.559 4.158 1.00 21.37 ? 49 CYS A SG 1 ATOM 261 N N . ILE A 1 33 ? 63.964 -14.751 6.388 1.00 16.27 ? 50 ILE A N 1 ATOM 262 C CA . ILE A 1 33 ? 64.245 -13.344 6.204 1.00 15.25 ? 50 ILE A CA 1 ATOM 263 C C . ILE A 1 33 ? 65.493 -13.228 5.322 1.00 15.34 ? 50 ILE A C 1 ATOM 264 O O . ILE A 1 33 ? 66.602 -13.542 5.739 1.00 14.68 ? 50 ILE A O 1 ATOM 265 C CB . ILE A 1 33 ? 64.484 -12.632 7.551 1.00 15.85 ? 50 ILE A CB 1 ATOM 266 C CG1 . ILE A 1 33 ? 63.244 -12.745 8.460 1.00 17.28 ? 50 ILE A CG1 1 ATOM 267 C CG2 . ILE A 1 33 ? 64.873 -11.165 7.342 1.00 14.87 ? 50 ILE A CG2 1 ATOM 268 C CD1 . ILE A 1 33 ? 61.926 -12.358 7.825 1.00 15.39 ? 50 ILE A CD1 1 ATOM 269 N N . SER A 1 34 ? 65.291 -12.793 4.080 1.00 14.36 ? 51 SER A N 1 ATOM 270 C CA . SER A 1 34 ? 66.358 -12.768 3.105 1.00 13.74 ? 51 SER A CA 1 ATOM 271 C C . SER A 1 34 ? 66.046 -11.798 1.994 1.00 16.59 ? 51 SER A C 1 ATOM 272 O O . SER A 1 34 ? 64.885 -11.430 1.795 1.00 15.40 ? 51 SER A O 1 ATOM 273 C CB . SER A 1 34 ? 66.543 -14.154 2.484 1.00 15.37 ? 51 SER A CB 1 ATOM 274 O OG . SER A 1 34 ? 65.509 -14.420 1.558 1.00 19.16 ? 51 SER A OG 1 ATOM 275 N N . GLU A 1 35 ? 67.079 -11.397 1.262 1.00 14.83 ? 52 GLU A N 1 ATOM 276 C CA . GLU A 1 35 ? 66.893 -10.631 0.001 1.00 13.08 ? 52 GLU A CA 1 ATOM 277 C C . GLU A 1 35 ? 65.819 -11.206 -0.906 1.00 15.79 ? 52 GLU A C 1 ATOM 278 O O . GLU A 1 35 ? 64.968 -10.470 -1.378 1.00 16.65 ? 52 GLU A O 1 ATOM 279 C CB . GLU A 1 35 ? 68.244 -10.583 -0.722 1.00 16.20 ? 52 GLU A CB 1 ATOM 280 C CG . GLU A 1 35 ? 68.349 -9.919 -2.059 1.00 20.81 ? 52 GLU A CG 1 ATOM 281 C CD . GLU A 1 35 ? 69.781 -10.034 -2.583 1.00 23.32 ? 52 GLU A CD 1 ATOM 282 O OE1 . GLU A 1 35 ? 70.702 -9.582 -1.877 1.00 20.05 ? 52 GLU A OE1 1 ATOM 283 O OE2 . GLU A 1 35 ? 69.980 -10.635 -3.657 1.00 22.41 ? 52 GLU A OE2 1 ATOM 284 N N . GLN A 1 36 ? 65.849 -12.518 -1.107 1.00 15.92 ? 53 GLN A N 1 ATOM 285 C CA . GLN A 1 36 ? 64.875 -13.183 -1.963 1.00 17.81 ? 53 GLN A CA 1 ATOM 286 C C . GLN A 1 36 ? 63.443 -12.939 -1.489 1.00 17.51 ? 53 GLN A C 1 ATOM 287 O O . GLN A 1 36 ? 62.572 -12.663 -2.310 1.00 15.83 ? 53 GLN A O 1 ATOM 288 C CB . GLN A 1 36 ? 65.170 -14.680 -2.016 1.00 18.09 ? 53 GLN A CB 1 ATOM 289 C CG . GLN A 1 36 ? 64.245 -15.471 -2.868 1.00 22.13 ? 53 GLN A CG 1 ATOM 290 C CD . GLN A 1 36 ? 64.629 -16.931 -2.893 1.00 33.57 ? 53 GLN A CD 1 ATOM 291 O OE1 . GLN A 1 36 ? 65.526 -17.317 -3.627 1.00 36.04 ? 53 GLN A OE1 1 ATOM 292 N NE2 . GLN A 1 36 ? 63.964 -17.741 -2.080 1.00 26.40 ? 53 GLN A NE2 1 ATOM 293 N N . LEU A 1 37 ? 63.179 -13.068 -0.195 1.00 16.01 ? 54 LEU A N 1 ATOM 294 C CA . LEU A 1 37 ? 61.824 -12.826 0.326 1.00 15.80 ? 54 LEU A CA 1 ATOM 295 C C . LEU A 1 37 ? 61.350 -11.427 -0.037 1.00 14.74 ? 54 LEU A C 1 ATOM 296 O O . LEU A 1 37 ? 60.249 -11.256 -0.555 1.00 14.11 ? 54 LEU A O 1 ATOM 297 C CB . LEU A 1 37 ? 61.784 -13.004 1.852 1.00 18.07 ? 54 LEU A CB 1 ATOM 298 C CG . LEU A 1 37 ? 60.382 -12.906 2.470 1.00 17.68 ? 54 LEU A CG 1 ATOM 299 C CD1 . LEU A 1 37 ? 59.520 -14.116 2.109 1.00 18.56 ? 54 LEU A CD1 1 ATOM 300 C CD2 . LEU A 1 37 ? 60.522 -12.741 3.975 1.00 15.68 ? 54 LEU A CD2 1 ATOM 301 N N . PHE A 1 38 ? 62.184 -10.415 0.213 1.00 13.90 ? 55 PHE A N 1 ATOM 302 C CA . PHE A 1 38 ? 61.806 -9.042 -0.063 1.00 13.04 ? 55 PHE A CA 1 ATOM 303 C C . PHE A 1 38 ? 61.638 -8.804 -1.551 1.00 13.55 ? 55 PHE A C 1 ATOM 304 O O . PHE A 1 38 ? 60.698 -8.121 -1.953 1.00 14.87 ? 55 PHE A O 1 ATOM 305 C CB . PHE A 1 38 ? 62.772 -8.054 0.602 1.00 13.83 ? 55 PHE A CB 1 ATOM 306 C CG . PHE A 1 38 ? 62.693 -8.093 2.099 1.00 15.99 ? 55 PHE A CG 1 ATOM 307 C CD1 . PHE A 1 38 ? 61.636 -7.479 2.745 1.00 18.51 ? 55 PHE A CD1 1 ATOM 308 C CD2 . PHE A 1 38 ? 63.597 -8.817 2.849 1.00 13.03 ? 55 PHE A CD2 1 ATOM 309 C CE1 . PHE A 1 38 ? 61.507 -7.543 4.125 1.00 14.48 ? 55 PHE A CE1 1 ATOM 310 C CE2 . PHE A 1 38 ? 63.465 -8.900 4.228 1.00 16.21 ? 55 PHE A CE2 1 ATOM 311 C CZ . PHE A 1 38 ? 62.399 -8.271 4.856 1.00 14.60 ? 55 PHE A CZ 1 ATOM 312 N N . MET A 1 39 ? 62.533 -9.359 -2.360 1.00 13.60 ? 56 MET A N 1 ATOM 313 C CA . MET A 1 39 ? 62.357 -9.219 -3.812 1.00 13.79 ? 56 MET A CA 1 ATOM 314 C C . MET A 1 39 ? 61.039 -9.842 -4.298 1.00 17.78 ? 56 MET A C 1 ATOM 315 O O . MET A 1 39 ? 60.317 -9.253 -5.101 1.00 15.89 ? 56 MET A O 1 ATOM 316 C CB . MET A 1 39 ? 63.533 -9.805 -4.561 1.00 13.33 ? 56 MET A CB 1 ATOM 317 C CG . MET A 1 39 ? 64.823 -9.025 -4.383 1.00 19.17 ? 56 MET A CG 1 ATOM 318 S SD . MET A 1 39 ? 66.153 -9.848 -5.212 1.00 23.09 ? 56 MET A SD 1 ATOM 319 C CE . MET A 1 39 ? 65.820 -9.327 -6.893 1.00 21.52 ? 56 MET A CE 1 ATOM 320 N N . GLU A 1 40 ? 60.714 -11.029 -3.813 1.00 13.54 ? 57 GLU A N 1 ATOM 321 C CA . GLU A 1 40 ? 59.470 -11.695 -4.227 1.00 15.28 ? 57 GLU A CA 1 ATOM 322 C C . GLU A 1 40 ? 58.225 -10.914 -3.802 1.00 13.14 ? 57 GLU A C 1 ATOM 323 O O . GLU A 1 40 ? 57.251 -10.803 -4.586 1.00 16.50 ? 57 GLU A O 1 ATOM 324 C CB . GLU A 1 40 ? 59.446 -13.126 -3.682 1.00 17.32 ? 57 GLU A CB 1 ATOM 325 C CG . GLU A 1 40 ? 60.438 -14.035 -4.382 1.00 18.68 ? 57 GLU A CG 1 ATOM 326 C CD . GLU A 1 40 ? 60.434 -15.474 -3.869 1.00 22.77 ? 57 GLU A CD 1 ATOM 327 O OE1 . GLU A 1 40 ? 59.562 -15.842 -3.064 1.00 27.55 ? 57 GLU A OE1 1 ATOM 328 O OE2 . GLU A 1 40 ? 61.291 -16.260 -4.319 1.00 23.07 ? 57 GLU A OE2 1 ATOM 329 N N . MET A 1 41 ? 58.247 -10.366 -2.588 1.00 15.72 ? 58 MET A N 1 ATOM 330 C CA . MET A 1 41 ? 57.123 -9.578 -2.110 1.00 15.11 ? 58 MET A CA 1 ATOM 331 C C . MET A 1 41 ? 57.013 -8.292 -2.920 1.00 15.91 ? 58 MET A C 1 ATOM 332 O O . MET A 1 41 ? 55.909 -7.898 -3.291 1.00 14.84 ? 58 MET A O 1 ATOM 333 C CB . MET A 1 41 ? 57.240 -9.279 -0.618 1.00 14.85 ? 58 MET A CB 1 ATOM 334 C CG . MET A 1 41 ? 57.137 -10.487 0.266 1.00 18.04 ? 58 MET A CG 1 ATOM 335 S SD . MET A 1 41 ? 55.613 -11.456 0.046 1.00 16.67 ? 58 MET A SD 1 ATOM 336 C CE . MET A 1 41 ? 56.130 -12.941 0.905 1.00 19.25 ? 58 MET A CE 1 ATOM 337 N N . ALA A 1 42 ? 58.144 -7.660 -3.232 1.00 15.51 ? 59 ALA A N 1 ATOM 338 C CA . ALA A 1 42 ? 58.141 -6.486 -4.105 1.00 15.34 ? 59 ALA A CA 1 ATOM 339 C C . ALA A 1 42 ? 57.481 -6.786 -5.454 1.00 14.84 ? 59 ALA A C 1 ATOM 340 O O . ALA A 1 42 ? 56.659 -6.010 -5.943 1.00 16.09 ? 59 ALA A O 1 ATOM 341 C CB . ALA A 1 42 ? 59.591 -5.976 -4.310 1.00 16.64 ? 59 ALA A CB 1 ATOM 342 N N . ASP A 1 43 ? 57.856 -7.915 -6.054 1.00 14.53 ? 60 ASP A N 1 ATOM 343 C CA . ASP A 1 43 ? 57.301 -8.343 -7.325 1.00 14.81 ? 60 ASP A CA 1 ATOM 344 C C . ASP A 1 43 ? 55.796 -8.498 -7.197 1.00 16.70 ? 60 ASP A C 1 ATOM 345 O O . ASP A 1 43 ? 55.057 -8.077 -8.077 1.00 16.12 ? 60 ASP A O 1 ATOM 346 C CB . ASP A 1 43 ? 57.938 -9.661 -7.734 1.00 16.72 ? 60 ASP A CB 1 ATOM 347 C CG . ASP A 1 43 ? 59.388 -9.517 -8.174 1.00 17.94 ? 60 ASP A CG 1 ATOM 348 O OD1 . ASP A 1 43 ? 59.843 -8.380 -8.439 1.00 17.96 ? 60 ASP A OD1 1 ATOM 349 O OD2 . ASP A 1 43 ? 60.072 -10.566 -8.243 1.00 20.68 ? 60 ASP A OD2 1 ATOM 350 N N . ARG A 1 44 ? 55.318 -9.105 -6.109 1.00 15.42 ? 61 ARG A N 1 ATOM 351 C CA . ARG A 1 44 ? 53.861 -9.221 -5.919 1.00 14.01 ? 61 ARG A CA 1 ATOM 352 C C . ARG A 1 44 ? 53.177 -7.865 -5.766 1.00 14.36 ? 61 ARG A C 1 ATOM 353 O O . ARG A 1 44 ? 52.098 -7.641 -6.343 1.00 15.64 ? 61 ARG A O 1 ATOM 354 C CB . ARG A 1 44 ? 53.522 -10.137 -4.733 1.00 15.27 ? 61 ARG A CB 1 ATOM 355 C CG . ARG A 1 44 ? 54.102 -11.554 -4.849 1.00 17.42 ? 61 ARG A CG 1 ATOM 356 C CD . ARG A 1 44 ? 53.256 -12.572 -5.651 1.00 17.76 ? 61 ARG A CD 1 ATOM 357 N NE . ARG A 1 44 ? 52.756 -12.130 -6.944 1.00 22.35 ? 61 ARG A NE 1 ATOM 358 C CZ . ARG A 1 44 ? 53.471 -12.096 -8.064 1.00 23.14 ? 61 ARG A CZ 1 ATOM 359 N NH1 . ARG A 1 44 ? 54.760 -12.443 -8.074 1.00 26.73 ? 61 ARG A NH1 1 ATOM 360 N NH2 . ARG A 1 44 ? 52.882 -11.697 -9.191 1.00 27.37 ? 61 ARG A NH2 1 ATOM 361 N N . MET A 1 45 ? 53.800 -6.951 -5.026 1.00 15.90 ? 62 MET A N 1 ATOM 362 C CA . MET A 1 45 ? 53.226 -5.623 -4.836 1.00 17.22 ? 62 MET A CA 1 ATOM 363 C C . MET A 1 45 ? 53.118 -4.892 -6.159 1.00 16.45 ? 62 MET A C 1 ATOM 364 O O . MET A 1 45 ? 52.127 -4.201 -6.408 1.00 17.66 ? 62 MET A O 1 ATOM 365 C CB . MET A 1 45 ? 54.003 -4.811 -3.816 1.00 16.84 ? 62 MET A CB 1 ATOM 366 C CG . MET A 1 45 ? 53.932 -5.436 -2.433 1.00 15.21 ? 62 MET A CG 1 ATOM 367 S SD . MET A 1 45 ? 54.843 -4.563 -1.176 1.00 16.48 ? 62 MET A SD 1 ATOM 368 C CE . MET A 1 45 ? 53.788 -3.129 -0.894 1.00 17.94 ? 62 MET A CE 1 ATOM 369 N N . ALA A 1 46 ? 54.130 -5.057 -7.023 1.00 15.67 ? 63 ALA A N 1 ATOM 370 C CA . ALA A 1 46 ? 54.140 -4.410 -8.333 1.00 15.80 ? 63 ALA A CA 1 ATOM 371 C C . ALA A 1 46 ? 53.166 -5.046 -9.307 1.00 19.37 ? 63 ALA A C 1 ATOM 372 O O . ALA A 1 46 ? 52.560 -4.342 -10.112 1.00 23.97 ? 63 ALA A O 1 ATOM 373 C CB . ALA A 1 46 ? 55.537 -4.443 -8.930 1.00 18.48 ? 63 ALA A CB 1 ATOM 374 N N . GLN A 1 47 ? 52.999 -6.368 -9.231 1.00 17.04 ? 64 GLN A N 1 ATOM 375 C CA . GLN A 1 47 ? 52.237 -7.105 -10.261 1.00 16.54 ? 64 GLN A CA 1 ATOM 376 C C . GLN A 1 47 ? 50.766 -7.370 -9.949 1.00 20.01 ? 64 GLN A C 1 ATOM 377 O O . GLN A 1 47 ? 49.946 -7.544 -10.879 1.00 20.70 ? 64 GLN A O 1 ATOM 378 C CB . GLN A 1 47 ? 52.926 -8.435 -10.580 1.00 19.80 ? 64 GLN A CB 1 ATOM 379 C CG . GLN A 1 47 ? 54.283 -8.252 -11.253 1.00 23.61 ? 64 GLN A CG 1 ATOM 380 C CD . GLN A 1 47 ? 55.068 -9.553 -11.371 1.00 31.29 ? 64 GLN A CD 1 ATOM 381 O OE1 . GLN A 1 47 ? 54.437 -10.619 -11.498 1.00 31.90 ? 64 GLN A OE1 1 ATOM 382 N NE2 . GLN A 1 47 ? 56.319 -9.511 -11.334 1.00 34.40 ? 64 GLN A NE2 1 ATOM 383 N N . ASP A 1 48 ? 50.430 -7.415 -8.662 1.00 20.13 ? 65 ASP A N 1 ATOM 384 C CA . ASP A 1 48 ? 49.111 -7.900 -8.246 1.00 15.66 ? 65 ASP A CA 1 ATOM 385 C C . ASP A 1 48 ? 48.220 -6.803 -7.679 1.00 19.12 ? 65 ASP A C 1 ATOM 386 O O . ASP A 1 48 ? 47.300 -7.102 -6.917 1.00 21.40 ? 65 ASP A O 1 ATOM 387 C CB . ASP A 1 48 ? 49.247 -9.004 -7.193 1.00 19.83 ? 65 ASP A CB 1 ATOM 388 C CG . ASP A 1 48 ? 49.929 -10.245 -7.719 1.00 25.69 ? 65 ASP A CG 1 ATOM 389 O OD1 . ASP A 1 48 ? 50.177 -10.340 -8.945 1.00 23.35 ? 65 ASP A OD1 1 ATOM 390 O OD2 . ASP A 1 48 ? 50.204 -11.151 -6.898 1.00 19.65 ? 65 ASP A OD2 1 ATOM 391 N N . GLY A 1 49 ? 48.510 -5.550 -8.026 1.00 18.66 ? 66 GLY A N 1 ATOM 392 C CA . GLY A 1 49 ? 47.585 -4.440 -7.782 1.00 20.04 ? 66 GLY A CA 1 ATOM 393 C C . GLY A 1 49 ? 47.878 -3.649 -6.509 1.00 18.49 ? 66 GLY A C 1 ATOM 394 O O . GLY A 1 49 ? 47.304 -2.580 -6.311 1.00 23.23 ? 66 GLY A O 1 ATOM 395 N N . TRP A 1 50 ? 48.749 -4.174 -5.651 1.00 17.93 ? 67 TRP A N 1 ATOM 396 C CA . TRP A 1 50 ? 48.985 -3.582 -4.335 1.00 15.47 ? 67 TRP A CA 1 ATOM 397 C C . TRP A 1 50 ? 49.503 -2.149 -4.436 1.00 15.79 ? 67 TRP A C 1 ATOM 398 O O . TRP A 1 50 ? 48.935 -1.217 -3.837 1.00 16.11 ? 67 TRP A O 1 ATOM 399 C CB . TRP A 1 50 ? 49.973 -4.446 -3.553 1.00 14.63 ? 67 TRP A CB 1 ATOM 400 C CG . TRP A 1 50 ? 49.488 -5.832 -3.316 1.00 13.09 ? 67 TRP A CG 1 ATOM 401 C CD1 . TRP A 1 50 ? 49.895 -6.991 -3.933 1.00 19.39 ? 67 TRP A CD1 1 ATOM 402 C CD2 . TRP A 1 50 ? 48.418 -6.205 -2.452 1.00 14.88 ? 67 TRP A CD2 1 ATOM 403 N NE1 . TRP A 1 50 ? 49.167 -8.063 -3.461 1.00 15.27 ? 67 TRP A NE1 1 ATOM 404 C CE2 . TRP A 1 50 ? 48.241 -7.599 -2.569 1.00 14.58 ? 67 TRP A CE2 1 ATOM 405 C CE3 . TRP A 1 50 ? 47.593 -5.495 -1.586 1.00 14.37 ? 67 TRP A CE3 1 ATOM 406 C CZ2 . TRP A 1 50 ? 47.282 -8.291 -1.826 1.00 18.51 ? 67 TRP A CZ2 1 ATOM 407 C CZ3 . TRP A 1 50 ? 46.650 -6.175 -0.869 1.00 13.59 ? 67 TRP A CZ3 1 ATOM 408 C CH2 . TRP A 1 50 ? 46.507 -7.556 -0.974 1.00 15.14 ? 67 TRP A CH2 1 ATOM 409 N N . ARG A 1 51 ? 50.584 -1.960 -5.191 1.00 17.09 ? 68 ARG A N 1 ATOM 410 C CA . ARG A 1 51 ? 51.147 -0.623 -5.369 1.00 16.50 ? 68 ARG A CA 1 ATOM 411 C C . ARG A 1 51 ? 50.108 0.342 -5.958 1.00 18.27 ? 68 ARG A C 1 ATOM 412 O O . ARG A 1 51 ? 49.970 1.466 -5.476 1.00 20.42 ? 68 ARG A O 1 ATOM 413 C CB . ARG A 1 51 ? 52.387 -0.684 -6.265 1.00 18.63 ? 68 ARG A CB 1 ATOM 414 C CG . ARG A 1 51 ? 53.080 0.654 -6.544 1.00 17.94 ? 68 ARG A CG 1 ATOM 415 C CD . ARG A 1 51 ? 53.972 0.543 -7.773 1.00 18.01 ? 68 ARG A CD 1 ATOM 416 N NE . ARG A 1 51 ? 53.173 0.230 -8.955 1.00 20.88 ? 68 ARG A NE 1 ATOM 417 C CZ . ARG A 1 51 ? 53.545 -0.553 -9.958 1.00 27.00 ? 68 ARG A CZ 1 ATOM 418 N NH1 . ARG A 1 51 ? 54.762 -1.107 -9.988 1.00 24.59 ? 68 ARG A NH1 1 ATOM 419 N NH2 . ARG A 1 51 ? 52.689 -0.772 -10.950 1.00 26.72 ? 68 ARG A NH2 1 ATOM 420 N N . ASP A 1 52 ? 49.382 -0.109 -6.978 1.00 20.62 ? 69 ASP A N 1 ATOM 421 C CA . ASP A 1 52 ? 48.388 0.695 -7.659 1.00 22.57 ? 69 ASP A CA 1 ATOM 422 C C . ASP A 1 52 ? 47.228 1.130 -6.749 1.00 20.39 ? 69 ASP A C 1 ATOM 423 O O . ASP A 1 52 ? 46.628 2.189 -6.960 1.00 21.96 ? 69 ASP A O 1 ATOM 424 C CB . ASP A 1 52 ? 47.819 -0.067 -8.851 1.00 24.98 ? 69 ASP A CB 1 ATOM 425 C CG . ASP A 1 52 ? 48.845 -0.288 -9.970 1.00 35.94 ? 69 ASP A CG 1 ATOM 426 O OD1 . ASP A 1 52 ? 49.908 0.376 -9.993 1.00 30.16 ? 69 ASP A OD1 1 ATOM 427 O OD2 . ASP A 1 52 ? 48.559 -1.154 -10.826 1.00 35.44 ? 69 ASP A OD2 1 ATOM 428 N N . MET A 1 53 ? 46.909 0.304 -5.768 1.00 21.31 ? 70 MET A N 1 ATOM 429 C CA . MET A 1 53 ? 45.880 0.634 -4.770 1.00 19.29 ? 70 MET A CA 1 ATOM 430 C C . MET A 1 53 ? 46.428 1.509 -3.637 1.00 19.08 ? 70 MET A C 1 ATOM 431 O O . MET A 1 53 ? 45.648 1.989 -2.812 1.00 22.17 ? 70 MET A O 1 ATOM 432 C CB . MET A 1 53 ? 45.286 -0.638 -4.172 1.00 20.43 ? 70 MET A CB 1 ATOM 433 C CG . MET A 1 53 ? 44.455 -1.455 -5.157 1.00 26.27 ? 70 MET A CG 1 ATOM 434 S SD . MET A 1 53 ? 43.238 -0.460 -6.036 1.00 27.40 ? 70 MET A SD 1 ATOM 435 C CE . MET A 1 53 ? 42.153 0.041 -4.673 1.00 26.28 ? 70 MET A CE 1 ATOM 436 N N . GLY A 1 54 ? 47.751 1.714 -3.572 1.00 19.74 ? 71 GLY A N 1 ATOM 437 C CA . GLY A 1 54 ? 48.349 2.610 -2.590 1.00 18.96 ? 71 GLY A CA 1 ATOM 438 C C . GLY A 1 54 ? 49.354 1.997 -1.637 1.00 20.79 ? 71 GLY A C 1 ATOM 439 O O . GLY A 1 54 ? 49.998 2.715 -0.870 1.00 18.23 ? 71 GLY A O 1 ATOM 440 N N . TYR A 1 55 ? 49.491 0.670 -1.669 1.00 16.22 ? 72 TYR A N 1 ATOM 441 C CA . TYR A 1 55 ? 50.438 -0.032 -0.794 1.00 15.36 ? 72 TYR A CA 1 ATOM 442 C C . TYR A 1 55 ? 51.836 0.115 -1.358 1.00 20.37 ? 72 TYR A C 1 ATOM 443 O O . TYR A 1 55 ? 52.201 -0.580 -2.299 1.00 17.47 ? 72 TYR A O 1 ATOM 444 C CB . TYR A 1 55 ? 50.066 -1.503 -0.688 1.00 13.80 ? 72 TYR A CB 1 ATOM 445 C CG . TYR A 1 55 ? 48.761 -1.776 0.058 1.00 13.75 ? 72 TYR A CG 1 ATOM 446 C CD1 . TYR A 1 55 ? 48.757 -1.937 1.445 1.00 15.74 ? 72 TYR A CD1 1 ATOM 447 C CD2 . TYR A 1 55 ? 47.554 -1.861 -0.619 1.00 16.04 ? 72 TYR A CD2 1 ATOM 448 C CE1 . TYR A 1 55 ? 47.585 -2.165 2.140 1.00 16.30 ? 72 TYR A CE1 1 ATOM 449 C CE2 . TYR A 1 55 ? 46.373 -2.096 0.069 1.00 14.93 ? 72 TYR A CE2 1 ATOM 450 C CZ . TYR A 1 55 ? 46.406 -2.250 1.451 1.00 14.74 ? 72 TYR A CZ 1 ATOM 451 O OH . TYR A 1 55 ? 45.242 -2.502 2.146 1.00 15.98 ? 72 TYR A OH 1 ATOM 452 N N . THR A 1 56 ? 52.610 1.036 -0.795 1.00 14.41 ? 73 THR A N 1 ATOM 453 C CA . THR A 1 56 ? 53.863 1.459 -1.416 1.00 15.55 ? 73 THR A CA 1 ATOM 454 C C . THR A 1 56 ? 55.120 1.120 -0.625 1.00 16.41 ? 73 THR A C 1 ATOM 455 O O . THR A 1 56 ? 56.209 1.068 -1.202 1.00 17.57 ? 73 THR A O 1 ATOM 456 C CB . THR A 1 56 ? 53.870 2.964 -1.697 1.00 15.76 ? 73 THR A CB 1 ATOM 457 O OG1 . THR A 1 56 ? 53.588 3.693 -0.506 1.00 22.06 ? 73 THR A OG1 1 ATOM 458 C CG2 . THR A 1 56 ? 52.844 3.326 -2.775 1.00 20.14 ? 73 THR A CG2 1 ATOM 459 N N . TYR A 1 57 ? 55.003 0.888 0.682 1.00 15.24 ? 74 TYR A N 1 ATOM 460 C CA . TYR A 1 57 ? 56.154 0.559 1.500 1.00 14.09 ? 74 TYR A CA 1 ATOM 461 C C . TYR A 1 57 ? 56.356 -0.933 1.601 1.00 15.92 ? 74 TYR A C 1 ATOM 462 O O . TYR A 1 57 ? 55.399 -1.689 1.797 1.00 14.22 ? 74 TYR A O 1 ATOM 463 C CB . TYR A 1 57 ? 56.032 1.153 2.921 1.00 13.15 ? 74 TYR A CB 1 ATOM 464 C CG . TYR A 1 57 ? 56.193 2.653 2.951 1.00 13.61 ? 74 TYR A CG 1 ATOM 465 C CD1 . TYR A 1 57 ? 57.451 3.242 3.087 1.00 16.27 ? 74 TYR A CD1 1 ATOM 466 C CD2 . TYR A 1 57 ? 55.094 3.493 2.818 1.00 15.92 ? 74 TYR A CD2 1 ATOM 467 C CE1 . TYR A 1 57 ? 57.606 4.619 3.094 1.00 15.63 ? 74 TYR A CE1 1 ATOM 468 C CE2 . TYR A 1 57 ? 55.246 4.884 2.814 1.00 17.26 ? 74 TYR A CE2 1 ATOM 469 C CZ . TYR A 1 57 ? 56.496 5.439 2.960 1.00 16.98 ? 74 TYR A CZ 1 ATOM 470 O OH . TYR A 1 57 ? 56.634 6.807 2.957 1.00 17.06 ? 74 TYR A OH 1 ATOM 471 N N A LEU A 1 58 ? 57.622 -1.334 1.494 0.50 15.11 ? 75 LEU A N 1 ATOM 472 N N B LEU A 1 58 ? 57.612 -1.351 1.430 0.50 14.60 ? 75 LEU A N 1 ATOM 473 C CA A LEU A 1 58 ? 58.062 -2.708 1.677 0.50 15.09 ? 75 LEU A CA 1 ATOM 474 C CA B LEU A 1 58 ? 58.057 -2.719 1.686 0.50 12.22 ? 75 LEU A CA 1 ATOM 475 C C A LEU A 1 58 ? 59.116 -2.673 2.773 0.50 15.00 ? 75 LEU A C 1 ATOM 476 C C B LEU A 1 58 ? 59.095 -2.628 2.787 0.50 13.87 ? 75 LEU A C 1 ATOM 477 O O A LEU A 1 58 ? 60.241 -2.206 2.557 0.50 16.15 ? 75 LEU A O 1 ATOM 478 O O B LEU A 1 58 ? 60.186 -2.071 2.592 0.50 12.44 ? 75 LEU A O 1 ATOM 479 C CB A LEU A 1 58 ? 58.640 -3.253 0.368 0.50 15.71 ? 75 LEU A CB 1 ATOM 480 C CB B LEU A 1 58 ? 58.662 -3.351 0.431 0.50 12.60 ? 75 LEU A CB 1 ATOM 481 C CG A LEU A 1 58 ? 59.072 -4.715 0.382 0.50 28.86 ? 75 LEU A CG 1 ATOM 482 C CG B LEU A 1 58 ? 59.123 -4.801 0.586 0.50 9.92 ? 75 LEU A CG 1 ATOM 483 C CD1 A LEU A 1 58 ? 60.127 -4.916 1.442 0.50 25.00 ? 75 LEU A CD1 1 ATOM 484 C CD1 B LEU A 1 58 ? 58.001 -5.770 0.250 0.50 16.76 ? 75 LEU A CD1 1 ATOM 485 C CD2 A LEU A 1 58 ? 57.888 -5.626 0.627 0.50 20.87 ? 75 LEU A CD2 1 ATOM 486 C CD2 B LEU A 1 58 ? 60.347 -5.081 -0.289 0.50 13.76 ? 75 LEU A CD2 1 ATOM 487 N N . ASN A 1 59 ? 58.746 -3.144 3.960 1.00 12.18 ? 76 ASN A N 1 ATOM 488 C CA . ASN A 1 59 ? 59.543 -2.907 5.153 1.00 11.19 ? 76 ASN A CA 1 ATOM 489 C C . ASN A 1 59 ? 60.186 -4.129 5.771 1.00 12.73 ? 76 ASN A C 1 ATOM 490 O O . ASN A 1 59 ? 59.526 -5.116 6.116 1.00 13.17 ? 76 ASN A O 1 ATOM 491 C CB . ASN A 1 59 ? 58.741 -2.135 6.231 1.00 14.42 ? 76 ASN A CB 1 ATOM 492 C CG . ASN A 1 59 ? 58.278 -0.759 5.770 1.00 14.14 ? 76 ASN A CG 1 ATOM 493 O OD1 . ASN A 1 59 ? 58.576 -0.319 4.653 1.00 13.70 ? 76 ASN A OD1 1 ATOM 494 N ND2 . ASN A 1 59 ? 57.495 -0.075 6.627 1.00 14.45 ? 76 ASN A ND2 1 ATOM 495 N N . ILE A 1 60 ? 61.506 -4.014 5.933 1.00 14.10 ? 77 ILE A N 1 ATOM 496 C CA . ILE A 1 60 ? 62.324 -4.977 6.622 1.00 11.85 ? 77 ILE A CA 1 ATOM 497 C C . ILE A 1 60 ? 62.168 -4.750 8.137 1.00 11.22 ? 77 ILE A C 1 ATOM 498 O O . ILE A 1 60 ? 62.069 -3.612 8.562 1.00 12.69 ? 77 ILE A O 1 ATOM 499 C CB . ILE A 1 60 ? 63.829 -4.776 6.253 1.00 11.57 ? 77 ILE A CB 1 ATOM 500 C CG1 . ILE A 1 60 ? 64.043 -4.891 4.748 1.00 14.12 ? 77 ILE A CG1 1 ATOM 501 C CG2 . ILE A 1 60 ? 64.728 -5.813 6.985 1.00 14.08 ? 77 ILE A CG2 1 ATOM 502 C CD1 . ILE A 1 60 ? 65.420 -4.373 4.287 1.00 17.90 ? 77 ILE A CD1 1 ATOM 503 N N . ASP A 1 61 ? 62.057 -5.827 8.904 1.00 12.64 ? 78 ASP A N 1 ATOM 504 C CA . ASP A 1 61 ? 61.981 -5.739 10.370 1.00 11.99 ? 78 ASP A CA 1 ATOM 505 C C . ASP A 1 61 ? 63.232 -6.370 10.994 1.00 13.39 ? 78 ASP A C 1 ATOM 506 O O . ASP A 1 61 ? 64.325 -6.289 10.422 1.00 13.31 ? 78 ASP A O 1 ATOM 507 C CB . ASP A 1 61 ? 60.670 -6.316 10.884 1.00 12.01 ? 78 ASP A CB 1 ATOM 508 C CG . ASP A 1 61 ? 60.219 -5.690 12.194 1.00 12.97 ? 78 ASP A CG 1 ATOM 509 O OD1 . ASP A 1 61 ? 60.534 -6.278 13.249 1.00 12.93 ? 78 ASP A OD1 1 ATOM 510 O OD2 . ASP A 1 61 ? 59.532 -4.650 12.147 1.00 15.11 ? 78 ASP A OD2 1 ATOM 511 N N . ASP A 1 62 ? 63.102 -6.963 12.161 1.00 13.21 ? 79 ASP A N 1 ATOM 512 C CA . ASP A 1 62 ? 64.268 -7.418 12.901 1.00 14.78 ? 79 ASP A CA 1 ATOM 513 C C . ASP A 1 62 ? 64.912 -8.588 12.134 1.00 12.52 ? 79 ASP A C 1 ATOM 514 O O . ASP A 1 62 ? 64.320 -9.194 11.244 1.00 13.98 ? 79 ASP A O 1 ATOM 515 C CB . ASP A 1 62 ? 63.850 -7.830 14.330 1.00 13.12 ? 79 ASP A CB 1 ATOM 516 C CG . ASP A 1 62 ? 64.987 -7.865 15.367 1.00 12.56 ? 79 ASP A CG 1 ATOM 517 O OD1 . ASP A 1 62 ? 66.214 -7.752 15.043 1.00 14.76 ? 79 ASP A OD1 1 ATOM 518 O OD2 . ASP A 1 62 ? 64.598 -8.007 16.564 1.00 13.49 ? 79 ASP A OD2 1 ATOM 519 N N . CYS A 1 63 ? 66.146 -8.870 12.511 1.00 13.01 ? 80 CYS A N 1 ATOM 520 C CA . CYS A 1 63 ? 66.893 -10.061 12.097 1.00 11.79 ? 80 CYS A CA 1 ATOM 521 C C . CYS A 1 63 ? 67.545 -9.931 10.721 1.00 17.15 ? 80 CYS A C 1 ATOM 522 O O . CYS A 1 63 ? 67.900 -10.945 10.133 1.00 19.16 ? 80 CYS A O 1 ATOM 523 C CB . CYS A 1 63 ? 66.053 -11.341 12.217 1.00 14.88 ? 80 CYS A CB 1 ATOM 524 S SG . CYS A 1 63 ? 65.247 -11.406 13.834 1.00 18.29 ? 80 CYS A SG 1 ATOM 525 N N . TRP A 1 64 ? 67.723 -8.699 10.225 1.00 15.42 ? 81 TRP A N 1 ATOM 526 C CA . TRP A 1 64 ? 68.411 -8.468 8.954 1.00 13.87 ? 81 TRP A CA 1 ATOM 527 C C . TRP A 1 64 ? 69.924 -8.227 9.095 1.00 11.12 ? 81 TRP A C 1 ATOM 528 O O . TRP A 1 64 ? 70.681 -8.359 8.127 1.00 15.00 ? 81 TRP A O 1 ATOM 529 C CB . TRP A 1 64 ? 67.773 -7.302 8.148 1.00 13.47 ? 81 TRP A CB 1 ATOM 530 C CG . TRP A 1 64 ? 67.976 -5.948 8.732 1.00 11.11 ? 81 TRP A CG 1 ATOM 531 C CD1 . TRP A 1 64 ? 67.160 -5.307 9.637 1.00 13.52 ? 81 TRP A CD1 1 ATOM 532 C CD2 . TRP A 1 64 ? 69.079 -5.054 8.494 1.00 15.36 ? 81 TRP A CD2 1 ATOM 533 N NE1 . TRP A 1 64 ? 67.693 -4.084 9.976 1.00 14.42 ? 81 TRP A NE1 1 ATOM 534 C CE2 . TRP A 1 64 ? 68.867 -3.902 9.300 1.00 12.83 ? 81 TRP A CE2 1 ATOM 535 C CE3 . TRP A 1 64 ? 70.222 -5.114 7.690 1.00 15.32 ? 81 TRP A CE3 1 ATOM 536 C CZ2 . TRP A 1 64 ? 69.743 -2.824 9.302 1.00 14.59 ? 81 TRP A CZ2 1 ATOM 537 C CZ3 . TRP A 1 64 ? 71.102 -4.039 7.702 1.00 13.56 ? 81 TRP A CZ3 1 ATOM 538 C CH2 . TRP A 1 64 ? 70.850 -2.906 8.489 1.00 14.72 ? 81 TRP A CH2 1 ATOM 539 N N . ILE A 1 65 ? 70.379 -7.878 10.308 1.00 14.12 ? 82 ILE A N 1 ATOM 540 C CA . ILE A 1 65 ? 71.696 -7.318 10.501 1.00 18.34 ? 82 ILE A CA 1 ATOM 541 C C . ILE A 1 65 ? 72.730 -8.431 10.651 1.00 18.41 ? 82 ILE A C 1 ATOM 542 O O . ILE A 1 65 ? 72.477 -9.481 11.283 1.00 16.50 ? 82 ILE A O 1 ATOM 543 C CB . ILE A 1 65 ? 71.740 -6.455 11.777 1.00 12.54 ? 82 ILE A CB 1 ATOM 544 C CG1 . ILE A 1 65 ? 70.755 -5.298 11.654 1.00 15.33 ? 82 ILE A CG1 1 ATOM 545 C CG2 . ILE A 1 65 ? 73.167 -5.942 12.064 1.00 16.18 ? 82 ILE A CG2 1 ATOM 546 C CD1 . ILE A 1 65 ? 70.475 -4.520 12.951 1.00 16.24 ? 82 ILE A CD1 1 ATOM 547 N N . GLY A 1 66 ? 73.870 -8.210 10.019 1.00 15.45 ? 83 GLY A N 1 ATOM 548 C CA . GLY A 1 66 ? 74.997 -9.144 10.097 1.00 15.81 ? 83 GLY A CA 1 ATOM 549 C C . GLY A 1 66 ? 76.078 -8.801 11.094 1.00 21.73 ? 83 GLY A C 1 ATOM 550 O O . GLY A 1 66 ? 76.644 -9.685 11.701 1.00 26.61 ? 83 GLY A O 1 ATOM 551 N N . GLY A 1 67 ? 76.392 -7.521 11.233 1.00 16.81 ? 84 GLY A N 1 ATOM 552 C CA . GLY A 1 67 ? 77.396 -7.056 12.193 1.00 15.64 ? 84 GLY A CA 1 ATOM 553 C C . GLY A 1 67 ? 77.713 -5.621 11.834 1.00 18.21 ? 84 GLY A C 1 ATOM 554 O O . GLY A 1 67 ? 76.972 -4.992 11.074 1.00 21.28 ? 84 GLY A O 1 ATOM 555 N N . ARG A 1 68 ? 78.802 -5.113 12.379 1.00 17.34 ? 85 ARG A N 1 ATOM 556 C CA . ARG A 1 68 ? 79.335 -3.808 12.013 1.00 17.17 ? 85 ARG A CA 1 ATOM 557 C C . ARG A 1 68 ? 80.745 -4.008 11.475 1.00 16.76 ? 85 ARG A C 1 ATOM 558 O O . ARG A 1 68 ? 81.502 -4.860 11.969 1.00 18.61 ? 85 ARG A O 1 ATOM 559 C CB . ARG A 1 68 ? 79.345 -2.869 13.209 1.00 16.74 ? 85 ARG A CB 1 ATOM 560 C CG . ARG A 1 68 ? 77.979 -2.430 13.660 1.00 16.79 ? 85 ARG A CG 1 ATOM 561 C CD . ARG A 1 68 ? 78.073 -1.444 14.794 1.00 19.74 ? 85 ARG A CD 1 ATOM 562 N NE . ARG A 1 68 ? 76.749 -1.015 15.265 1.00 17.31 ? 85 ARG A NE 1 ATOM 563 C CZ . ARG A 1 68 ? 75.998 -0.065 14.719 1.00 16.52 ? 85 ARG A CZ 1 ATOM 564 N NH1 . ARG A 1 68 ? 76.389 0.609 13.640 1.00 18.73 ? 85 ARG A NH1 1 ATOM 565 N NH2 . ARG A 1 68 ? 74.805 0.197 15.259 1.00 16.70 ? 85 ARG A NH2 1 ATOM 566 N N . ASP A 1 69 ? 81.120 -3.207 10.483 1.00 16.17 ? 86 ASP A N 1 ATOM 567 C CA . ASP A 1 69 ? 82.455 -3.342 9.888 1.00 18.33 ? 86 ASP A CA 1 ATOM 568 C C . ASP A 1 69 ? 83.504 -2.595 10.693 1.00 19.58 ? 86 ASP A C 1 ATOM 569 O O . ASP A 1 69 ? 83.203 -2.139 11.809 1.00 17.99 ? 86 ASP A O 1 ATOM 570 C CB . ASP A 1 69 ? 82.421 -2.989 8.384 1.00 17.71 ? 86 ASP A CB 1 ATOM 571 C CG . ASP A 1 69 ? 82.468 -1.524 8.091 1.00 20.55 ? 86 ASP A CG 1 ATOM 572 O OD1 . ASP A 1 69 ? 82.489 -0.669 8.991 1.00 18.09 ? 86 ASP A OD1 1 ATOM 573 O OD2 . ASP A 1 69 ? 82.463 -1.214 6.880 1.00 20.00 ? 86 ASP A OD2 1 ATOM 574 N N . ALA A 1 70 ? 84.750 -2.518 10.196 1.00 16.13 ? 87 ALA A N 1 ATOM 575 C CA . ALA A 1 70 ? 85.843 -1.947 10.982 1.00 16.96 ? 87 ALA A CA 1 ATOM 576 C C . ALA A 1 70 ? 85.621 -0.477 11.309 1.00 17.61 ? 87 ALA A C 1 ATOM 577 O O . ALA A 1 70 ? 86.206 0.021 12.274 1.00 21.83 ? 87 ALA A O 1 ATOM 578 C CB . ALA A 1 70 ? 87.187 -2.155 10.299 1.00 17.89 ? 87 ALA A CB 1 ATOM 579 N N . SER A 1 71 ? 84.790 0.219 10.535 1.00 17.00 ? 88 SER A N 1 ATOM 580 C CA . SER A 1 71 ? 84.452 1.617 10.801 1.00 17.91 ? 88 SER A CA 1 ATOM 581 C C . SER A 1 71 ? 83.174 1.788 11.642 1.00 19.18 ? 88 SER A C 1 ATOM 582 O O . SER A 1 71 ? 82.743 2.913 11.893 1.00 20.62 ? 88 SER A O 1 ATOM 583 C CB . SER A 1 71 ? 84.247 2.360 9.487 1.00 21.38 ? 88 SER A CB 1 ATOM 584 O OG . SER A 1 71 ? 85.469 2.525 8.797 1.00 23.00 ? 88 SER A OG 1 ATOM 585 N N . GLY A 1 72 ? 82.566 0.676 12.034 1.00 17.72 ? 89 GLY A N 1 ATOM 586 C CA . GLY A 1 72 ? 81.340 0.685 12.825 1.00 17.77 ? 89 GLY A CA 1 ATOM 587 C C . GLY A 1 72 ? 80.087 0.745 11.969 1.00 19.31 ? 89 GLY A C 1 ATOM 588 O O . GLY A 1 72 ? 78.989 0.980 12.492 1.00 18.92 ? 89 GLY A O 1 ATOM 589 N N A ARG A 1 73 ? 80.239 0.508 10.667 0.50 17.90 ? 90 ARG A N 1 ATOM 590 N N B ARG A 1 73 ? 80.230 0.563 10.656 0.50 17.66 ? 90 ARG A N 1 ATOM 591 C CA A ARG A 1 73 ? 79.150 0.639 9.701 0.50 18.47 ? 90 ARG A CA 1 ATOM 592 C CA B ARG A 1 73 ? 79.094 0.694 9.743 0.50 16.43 ? 90 ARG A CA 1 ATOM 593 C C A ARG A 1 73 ? 78.271 -0.615 9.723 0.50 17.23 ? 90 ARG A C 1 ATOM 594 C C B ARG A 1 73 ? 78.269 -0.592 9.737 0.50 17.38 ? 90 ARG A C 1 ATOM 595 O O A ARG A 1 73 ? 78.784 -1.732 9.652 0.50 17.34 ? 90 ARG A O 1 ATOM 596 O O B ARG A 1 73 ? 78.814 -1.693 9.665 0.50 17.85 ? 90 ARG A O 1 ATOM 597 C CB A ARG A 1 73 ? 79.744 0.825 8.302 0.50 24.86 ? 90 ARG A CB 1 ATOM 598 C CB B ARG A 1 73 ? 79.555 1.022 8.321 0.50 18.74 ? 90 ARG A CB 1 ATOM 599 C CG A ARG A 1 73 ? 78.830 1.430 7.256 0.50 40.48 ? 90 ARG A CG 1 ATOM 600 C CG B ARG A 1 73 ? 78.431 1.256 7.312 0.50 24.71 ? 90 ARG A CG 1 ATOM 601 C CD A ARG A 1 73 ? 79.621 1.655 5.956 0.50 37.03 ? 90 ARG A CD 1 ATOM 602 C CD B ARG A 1 73 ? 79.044 1.562 5.931 0.50 33.99 ? 90 ARG A CD 1 ATOM 603 N NE A ARG A 1 73 ? 80.953 2.167 6.260 0.50 35.06 ? 90 ARG A NE 1 ATOM 604 N NE B ARG A 1 73 ? 78.097 1.942 4.878 0.50 29.23 ? 90 ARG A NE 1 ATOM 605 C CZ A ARG A 1 73 ? 81.308 3.443 6.161 0.50 33.71 ? 90 ARG A CZ 1 ATOM 606 C CZ B ARG A 1 73 ? 77.582 3.160 4.729 0.50 24.98 ? 90 ARG A CZ 1 ATOM 607 N NH1 A ARG A 1 73 ? 80.432 4.348 5.742 0.50 41.03 ? 90 ARG A NH1 1 ATOM 608 N NH1 B ARG A 1 73 ? 77.870 4.120 5.583 0.50 23.34 ? 90 ARG A NH1 1 ATOM 609 N NH2 A ARG A 1 73 ? 82.533 3.817 6.490 0.50 19.41 ? 90 ARG A NH2 1 ATOM 610 N NH2 B ARG A 1 73 ? 76.764 3.418 3.714 0.50 22.93 ? 90 ARG A NH2 1 ATOM 611 N N . LEU A 1 74 ? 76.956 -0.439 9.826 1.00 15.75 ? 91 LEU A N 1 ATOM 612 C CA . LEU A 1 74 ? 76.052 -1.579 9.851 1.00 15.30 ? 91 LEU A CA 1 ATOM 613 C C . LEU A 1 74 ? 76.123 -2.320 8.536 1.00 15.00 ? 91 LEU A C 1 ATOM 614 O O . LEU A 1 74 ? 76.204 -1.697 7.481 1.00 16.37 ? 91 LEU A O 1 ATOM 615 C CB . LEU A 1 74 ? 74.594 -1.163 10.034 1.00 23.27 ? 91 LEU A CB 1 ATOM 616 C CG . LEU A 1 74 ? 74.036 -0.918 11.410 1.00 26.57 ? 91 LEU A CG 1 ATOM 617 C CD1 . LEU A 1 74 ? 72.580 -0.440 11.225 1.00 22.96 ? 91 LEU A CD1 1 ATOM 618 C CD2 . LEU A 1 74 ? 74.117 -2.177 12.330 1.00 19.16 ? 91 LEU A CD2 1 ATOM 619 N N . MET A 1 75 ? 76.060 -3.641 8.625 1.00 16.03 ? 92 MET A N 1 ATOM 620 C CA . MET A 1 75 ? 76.008 -4.522 7.474 1.00 17.72 ? 92 MET A CA 1 ATOM 621 C C . MET A 1 75 ? 74.861 -5.509 7.631 1.00 16.35 ? 92 MET A C 1 ATOM 622 O O . MET A 1 75 ? 74.597 -5.962 8.726 1.00 17.37 ? 92 MET A O 1 ATOM 623 C CB . MET A 1 75 ? 77.309 -5.320 7.364 1.00 19.30 ? 92 MET A CB 1 ATOM 624 C CG . MET A 1 75 ? 78.524 -4.452 7.212 1.00 19.95 ? 92 MET A CG 1 ATOM 625 S SD . MET A 1 75 ? 79.970 -5.447 6.885 1.00 22.25 ? 92 MET A SD 1 ATOM 626 C CE . MET A 1 75 ? 80.091 -6.298 8.467 1.00 15.94 ? 92 MET A CE 1 ATOM 627 N N . PRO A 1 76 ? 74.188 -5.851 6.524 1.00 14.50 ? 93 PRO A N 1 ATOM 628 C CA . PRO A 1 76 ? 73.228 -6.945 6.566 1.00 14.09 ? 93 PRO A CA 1 ATOM 629 C C . PRO A 1 76 ? 73.933 -8.299 6.663 1.00 15.76 ? 93 PRO A C 1 ATOM 630 O O . PRO A 1 76 ? 75.143 -8.406 6.393 1.00 16.93 ? 93 PRO A O 1 ATOM 631 C CB . PRO A 1 76 ? 72.506 -6.809 5.236 1.00 16.68 ? 93 PRO A CB 1 ATOM 632 C CG . PRO A 1 76 ? 73.569 -6.280 4.318 1.00 16.93 ? 93 PRO A CG 1 ATOM 633 C CD . PRO A 1 76 ? 74.403 -5.363 5.157 1.00 16.79 ? 93 PRO A CD 1 ATOM 634 N N . ASP A 1 77 ? 73.189 -9.338 7.016 1.00 14.03 ? 94 ASP A N 1 ATOM 635 C CA . ASP A 1 77 ? 73.746 -10.668 7.005 1.00 15.19 ? 94 ASP A CA 1 ATOM 636 C C . ASP A 1 77 ? 74.149 -11.048 5.568 1.00 16.44 ? 94 ASP A C 1 ATOM 637 O O . ASP A 1 77 ? 73.328 -11.074 4.671 1.00 19.39 ? 94 ASP A O 1 ATOM 638 C CB . ASP A 1 77 ? 72.735 -11.658 7.565 1.00 18.34 ? 94 ASP A CB 1 ATOM 639 C CG . ASP A 1 77 ? 73.285 -13.058 7.641 1.00 27.21 ? 94 ASP A CG 1 ATOM 640 O OD1 . ASP A 1 77 ? 73.663 -13.620 6.591 1.00 29.11 ? 94 ASP A OD1 1 ATOM 641 O OD2 . ASP A 1 77 ? 73.272 -13.628 8.734 1.00 25.17 ? 94 ASP A OD2 1 ATOM 642 N N . PRO A 1 78 ? 75.452 -11.285 5.336 1.00 18.64 ? 95 PRO A N 1 ATOM 643 C CA . PRO A 1 78 ? 75.939 -11.494 3.976 1.00 19.75 ? 95 PRO A CA 1 ATOM 644 C C . PRO A 1 78 ? 75.396 -12.760 3.289 1.00 20.35 ? 95 PRO A C 1 ATOM 645 O O . PRO A 1 78 ? 75.333 -12.824 2.063 1.00 25.85 ? 95 PRO A O 1 ATOM 646 C CB . PRO A 1 78 ? 77.465 -11.553 4.166 1.00 19.95 ? 95 PRO A CB 1 ATOM 647 C CG . PRO A 1 78 ? 77.653 -12.014 5.535 1.00 23.18 ? 95 PRO A CG 1 ATOM 648 C CD . PRO A 1 78 ? 76.533 -11.405 6.323 1.00 18.32 ? 95 PRO A CD 1 ATOM 649 N N . LYS A 1 79 ? 75.016 -13.768 4.072 1.00 17.37 ? 96 LYS A N 1 ATOM 650 C CA . LYS A 1 79 ? 74.465 -14.997 3.528 1.00 21.37 ? 96 LYS A CA 1 ATOM 651 C C . LYS A 1 79 ? 73.019 -14.809 3.044 1.00 21.81 ? 96 LYS A C 1 ATOM 652 O O . LYS A 1 79 ? 72.629 -15.303 1.983 1.00 25.75 ? 96 LYS A O 1 ATOM 653 C CB . LYS A 1 79 ? 74.541 -16.112 4.565 1.00 24.06 ? 96 LYS A CB 1 ATOM 654 C CG . LYS A 1 79 ? 75.979 -16.572 4.859 1.00 34.21 ? 96 LYS A CG 1 ATOM 655 C CD . LYS A 1 79 ? 76.035 -17.523 6.035 1.00 46.90 ? 96 LYS A CD 1 ATOM 656 C CE . LYS A 1 79 ? 77.465 -17.965 6.328 1.00 60.34 ? 96 LYS A CE 1 ATOM 657 N NZ . LYS A 1 79 ? 77.526 -18.876 7.509 1.00 59.86 ? 96 LYS A NZ 1 ATOM 658 N N . ARG A 1 80 ? 72.248 -14.042 3.800 1.00 15.52 ? 97 ARG A N 1 ATOM 659 C CA . ARG A 1 80 ? 70.843 -13.824 3.493 1.00 14.13 ? 97 ARG A CA 1 ATOM 660 C C . ARG A 1 80 ? 70.571 -12.590 2.665 1.00 16.09 ? 97 ARG A C 1 ATOM 661 O O . ARG A 1 80 ? 69.525 -12.533 2.021 1.00 15.85 ? 97 ARG A O 1 ATOM 662 C CB . ARG A 1 80 ? 70.007 -13.811 4.771 1.00 17.37 ? 97 ARG A CB 1 ATOM 663 C CG . ARG A 1 80 ? 70.112 -15.130 5.506 1.00 18.02 ? 97 ARG A CG 1 ATOM 664 C CD . ARG A 1 80 ? 69.263 -15.211 6.755 1.00 15.72 ? 97 ARG A CD 1 ATOM 665 N NE . ARG A 1 80 ? 69.855 -14.512 7.895 1.00 15.62 ? 97 ARG A NE 1 ATOM 666 C CZ . ARG A 1 80 ? 69.367 -13.408 8.464 1.00 15.75 ? 97 ARG A CZ 1 ATOM 667 N NH1 . ARG A 1 80 ? 68.285 -12.814 8.013 1.00 18.64 ? 97 ARG A NH1 1 ATOM 668 N NH2 . ARG A 1 80 ? 69.979 -12.882 9.520 1.00 15.33 ? 97 ARG A NH2 1 ATOM 669 N N . PHE A 1 81 ? 71.497 -11.632 2.643 1.00 14.15 ? 98 PHE A N 1 ATOM 670 C CA . PHE A 1 81 ? 71.385 -10.427 1.794 1.00 14.76 ? 98 PHE A CA 1 ATOM 671 C C . PHE A 1 81 ? 72.675 -10.255 0.993 1.00 16.32 ? 98 PHE A C 1 ATOM 672 O O . PHE A 1 81 ? 73.442 -9.318 1.215 1.00 16.59 ? 98 PHE A O 1 ATOM 673 C CB . PHE A 1 81 ? 71.157 -9.199 2.676 1.00 16.48 ? 98 PHE A CB 1 ATOM 674 C CG . PHE A 1 81 ? 69.844 -9.225 3.407 1.00 15.72 ? 98 PHE A CG 1 ATOM 675 C CD1 . PHE A 1 81 ? 68.740 -8.601 2.863 1.00 15.29 ? 98 PHE A CD1 1 ATOM 676 C CD2 . PHE A 1 81 ? 69.716 -9.904 4.609 1.00 16.50 ? 98 PHE A CD2 1 ATOM 677 C CE1 . PHE A 1 81 ? 67.516 -8.649 3.519 1.00 18.38 ? 98 PHE A CE1 1 ATOM 678 C CE2 . PHE A 1 81 ? 68.483 -9.952 5.280 1.00 17.17 ? 98 PHE A CE2 1 ATOM 679 C CZ . PHE A 1 81 ? 67.396 -9.322 4.723 1.00 15.56 ? 98 PHE A CZ 1 ATOM 680 N N . PRO A 1 82 ? 72.928 -11.185 0.068 1.00 16.16 ? 99 PRO A N 1 ATOM 681 C CA . PRO A 1 82 ? 74.214 -11.243 -0.589 1.00 15.78 ? 99 PRO A CA 1 ATOM 682 C C . PRO A 1 82 ? 74.575 -9.971 -1.342 1.00 17.16 ? 99 PRO A C 1 ATOM 683 O O . PRO A 1 82 ? 75.754 -9.620 -1.385 1.00 17.55 ? 99 PRO A O 1 ATOM 684 C CB . PRO A 1 82 ? 74.064 -12.449 -1.547 1.00 18.38 ? 99 PRO A CB 1 ATOM 685 C CG . PRO A 1 82 ? 72.672 -12.754 -1.572 1.00 23.94 ? 99 PRO A CG 1 ATOM 686 C CD . PRO A 1 82 ? 72.098 -12.341 -0.286 1.00 20.16 ? 99 PRO A CD 1 ATOM 687 N N . HIS A 1 83 ? 73.600 -9.291 -1.938 1.00 16.88 ? 100 HIS A N 1 ATOM 688 C CA . HIS A 1 83 ? 73.912 -8.097 -2.749 1.00 17.58 ? 100 HIS A CA 1 ATOM 689 C C . HIS A 1 83 ? 73.879 -6.812 -1.925 1.00 17.72 ? 100 HIS A C 1 ATOM 690 O O . HIS A 1 83 ? 74.259 -5.754 -2.418 1.00 19.33 ? 100 HIS A O 1 ATOM 691 C CB . HIS A 1 83 ? 72.985 -7.939 -3.939 1.00 18.88 ? 100 HIS A CB 1 ATOM 692 C CG . HIS A 1 83 ? 73.028 -9.076 -4.907 1.00 18.57 ? 100 HIS A CG 1 ATOM 693 N ND1 . HIS A 1 83 ? 73.991 -9.211 -5.885 1.00 26.50 ? 100 HIS A ND1 1 ATOM 694 C CD2 . HIS A 1 83 ? 72.205 -10.140 -5.044 1.00 16.50 ? 100 HIS A CD2 1 ATOM 695 C CE1 . HIS A 1 83 ? 73.730 -10.295 -6.603 1.00 16.03 ? 100 HIS A CE1 1 ATOM 696 N NE2 . HIS A 1 83 ? 72.664 -10.885 -6.101 1.00 23.74 ? 100 HIS A NE2 1 ATOM 697 N N . GLY A 1 84 ? 73.415 -6.892 -0.687 1.00 16.75 ? 101 GLY A N 1 ATOM 698 C CA . GLY A 1 84 ? 73.396 -5.734 0.205 1.00 18.67 ? 101 GLY A CA 1 ATOM 699 C C . GLY A 1 84 ? 72.136 -4.898 0.081 1.00 17.10 ? 101 GLY A C 1 ATOM 700 O O . GLY A 1 84 ? 71.302 -5.125 -0.796 1.00 16.59 ? 101 GLY A O 1 ATOM 701 N N . ILE A 1 85 ? 71.999 -3.909 0.960 1.00 14.91 ? 102 ILE A N 1 ATOM 702 C CA . ILE A 1 85 ? 70.760 -3.146 1.055 1.00 15.43 ? 102 ILE A CA 1 ATOM 703 C C . ILE A 1 85 ? 70.555 -2.148 -0.117 1.00 15.63 ? 102 ILE A C 1 ATOM 704 O O . ILE A 1 85 ? 69.456 -2.039 -0.598 1.00 17.80 ? 102 ILE A O 1 ATOM 705 C CB . ILE A 1 85 ? 70.580 -2.485 2.442 1.00 16.83 ? 102 ILE A CB 1 ATOM 706 C CG1 . ILE A 1 85 ? 70.610 -3.537 3.558 1.00 14.79 ? 102 ILE A CG1 1 ATOM 707 C CG2 . ILE A 1 85 ? 69.267 -1.675 2.466 1.00 17.04 ? 102 ILE A CG2 1 ATOM 708 C CD1 . ILE A 1 85 ? 69.543 -4.703 3.446 1.00 16.44 ? 102 ILE A CD1 1 ATOM 709 N N . PRO A 1 86 ? 71.610 -1.450 -0.582 1.00 16.64 ? 103 PRO A N 1 ATOM 710 C CA . PRO A 1 86 ? 71.435 -0.563 -1.725 1.00 17.74 ? 103 PRO A CA 1 ATOM 711 C C . PRO A 1 86 ? 70.807 -1.278 -2.935 1.00 16.19 ? 103 PRO A C 1 ATOM 712 O O . PRO A 1 86 ? 69.923 -0.727 -3.628 1.00 16.32 ? 103 PRO A O 1 ATOM 713 C CB . PRO A 1 86 ? 72.879 -0.036 -1.966 1.00 14.31 ? 103 PRO A CB 1 ATOM 714 C CG . PRO A 1 86 ? 73.504 -0.069 -0.623 1.00 18.25 ? 103 PRO A CG 1 ATOM 715 C CD . PRO A 1 86 ? 72.957 -1.324 0.001 1.00 16.37 ? 103 PRO A CD 1 ATOM 716 N N . PHE A 1 87 ? 71.242 -2.515 -3.185 1.00 15.90 ? 104 PHE A N 1 ATOM 717 C CA . PHE A 1 87 ? 70.688 -3.345 -4.249 1.00 15.27 ? 104 PHE A CA 1 ATOM 718 C C . PHE A 1 87 ? 69.184 -3.513 -4.068 1.00 15.56 ? 104 PHE A C 1 ATOM 719 O O . PHE A 1 87 ? 68.407 -3.406 -5.013 1.00 16.47 ? 104 PHE A O 1 ATOM 720 C CB . PHE A 1 87 ? 71.362 -4.725 -4.228 1.00 16.65 ? 104 PHE A CB 1 ATOM 721 C CG . PHE A 1 87 ? 70.645 -5.762 -5.039 1.00 17.75 ? 104 PHE A CG 1 ATOM 722 C CD1 . PHE A 1 87 ? 70.976 -5.961 -6.364 1.00 19.00 ? 104 PHE A CD1 1 ATOM 723 C CD2 . PHE A 1 87 ? 69.633 -6.539 -4.470 1.00 17.00 ? 104 PHE A CD2 1 ATOM 724 C CE1 . PHE A 1 87 ? 70.302 -6.920 -7.133 1.00 20.72 ? 104 PHE A CE1 1 ATOM 725 C CE2 . PHE A 1 87 ? 68.971 -7.491 -5.235 1.00 21.80 ? 104 PHE A CE2 1 ATOM 726 C CZ . PHE A 1 87 ? 69.308 -7.678 -6.548 1.00 22.68 ? 104 PHE A CZ 1 ATOM 727 N N . LEU A 1 88 ? 68.770 -3.815 -2.858 1.00 14.77 ? 105 LEU A N 1 ATOM 728 C CA . LEU A 1 88 ? 67.363 -4.040 -2.556 1.00 14.45 ? 105 LEU A CA 1 ATOM 729 C C . LEU A 1 88 ? 66.564 -2.732 -2.658 1.00 15.75 ? 105 LEU A C 1 ATOM 730 O O . LEU A 1 88 ? 65.507 -2.710 -3.287 1.00 17.02 ? 105 LEU A O 1 ATOM 731 C CB . LEU A 1 88 ? 67.230 -4.677 -1.164 1.00 16.49 ? 105 LEU A CB 1 ATOM 732 C CG . LEU A 1 88 ? 65.861 -5.180 -0.781 1.00 20.21 ? 105 LEU A CG 1 ATOM 733 C CD1 . LEU A 1 88 ? 65.366 -6.212 -1.779 1.00 19.97 ? 105 LEU A CD1 1 ATOM 734 C CD2 . LEU A 1 88 ? 65.937 -5.800 0.633 1.00 19.64 ? 105 LEU A CD2 1 ATOM 735 N N . ALA A 1 89 ? 67.098 -1.628 -2.125 1.00 15.60 ? 106 ALA A N 1 ATOM 736 C CA . ALA A 1 89 ? 66.456 -0.313 -2.262 1.00 15.02 ? 106 ALA A CA 1 ATOM 737 C C . ALA A 1 89 ? 66.299 0.061 -3.721 1.00 14.46 ? 106 ALA A C 1 ATOM 738 O O . ALA A 1 89 ? 65.243 0.527 -4.160 1.00 16.02 ? 106 ALA A O 1 ATOM 739 C CB . ALA A 1 89 ? 67.251 0.777 -1.508 1.00 15.57 ? 106 ALA A CB 1 ATOM 740 N N . ASP A 1 90 ? 67.363 -0.154 -4.481 1.00 14.60 ? 107 ASP A N 1 ATOM 741 C CA . ASP A 1 90 ? 67.343 0.157 -5.890 1.00 13.71 ? 107 ASP A CA 1 ATOM 742 C C . ASP A 1 90 ? 66.358 -0.731 -6.613 1.00 17.43 ? 107 ASP A C 1 ATOM 743 O O . ASP A 1 90 ? 65.638 -0.265 -7.490 1.00 15.80 ? 107 ASP A O 1 ATOM 744 C CB . ASP A 1 90 ? 68.760 0.021 -6.475 1.00 16.91 ? 107 ASP A CB 1 ATOM 745 C CG . ASP A 1 90 ? 69.731 1.116 -5.971 1.00 16.24 ? 107 ASP A CG 1 ATOM 746 O OD1 . ASP A 1 90 ? 69.286 2.096 -5.332 1.00 18.76 ? 107 ASP A OD1 1 ATOM 747 O OD2 . ASP A 1 90 ? 70.956 1.014 -6.246 1.00 17.90 ? 107 ASP A OD2 1 ATOM 748 N N . TYR A 1 91 ? 66.275 -2.002 -6.254 1.00 16.50 ? 108 TYR A N 1 ATOM 749 C CA . TYR A 1 91 ? 65.287 -2.883 -6.883 1.00 16.50 ? 108 TYR A CA 1 ATOM 750 C C . TYR A 1 91 ? 63.843 -2.420 -6.589 1.00 16.30 ? 108 TYR A C 1 ATOM 751 O O . TYR A 1 91 ? 63.000 -2.317 -7.466 1.00 16.11 ? 108 TYR A O 1 ATOM 752 C CB . TYR A 1 91 ? 65.461 -4.309 -6.354 1.00 17.85 ? 108 TYR A CB 1 ATOM 753 C CG . TYR A 1 91 ? 64.592 -5.303 -7.094 1.00 17.70 ? 108 TYR A CG 1 ATOM 754 C CD1 . TYR A 1 91 ? 64.904 -5.671 -8.399 1.00 22.39 ? 108 TYR A CD1 1 ATOM 755 C CD2 . TYR A 1 91 ? 63.464 -5.860 -6.517 1.00 16.22 ? 108 TYR A CD2 1 ATOM 756 C CE1 . TYR A 1 91 ? 64.130 -6.569 -9.100 1.00 22.87 ? 108 TYR A CE1 1 ATOM 757 C CE2 . TYR A 1 91 ? 62.686 -6.767 -7.207 1.00 16.63 ? 108 TYR A CE2 1 ATOM 758 C CZ . TYR A 1 91 ? 63.014 -7.129 -8.500 1.00 23.58 ? 108 TYR A CZ 1 ATOM 759 O OH . TYR A 1 91 ? 62.244 -8.026 -9.233 1.00 23.44 ? 108 TYR A OH 1 ATOM 760 N N . VAL A 1 92 ? 63.552 -2.164 -5.331 1.00 15.48 ? 109 VAL A N 1 ATOM 761 C CA . VAL A 1 92 ? 62.217 -1.751 -4.902 1.00 17.49 ? 109 VAL A CA 1 ATOM 762 C C . VAL A 1 92 ? 61.828 -0.413 -5.559 1.00 16.20 ? 109 VAL A C 1 ATOM 763 O O . VAL A 1 92 ? 60.708 -0.239 -6.067 1.00 16.87 ? 109 VAL A O 1 ATOM 764 C CB . VAL A 1 92 ? 62.210 -1.726 -3.350 1.00 21.82 ? 109 VAL A CB 1 ATOM 765 C CG1 . VAL A 1 92 ? 61.103 -0.908 -2.772 1.00 35.10 ? 109 VAL A CG1 1 ATOM 766 C CG2 . VAL A 1 92 ? 62.226 -3.164 -2.840 1.00 16.78 ? 109 VAL A CG2 1 ATOM 767 N N . HIS A 1 93 ? 62.775 0.512 -5.634 1.00 16.97 ? 110 HIS A N 1 ATOM 768 C CA . HIS A 1 93 ? 62.521 1.799 -6.298 1.00 16.88 ? 110 HIS A CA 1 ATOM 769 C C . HIS A 1 93 ? 62.224 1.613 -7.780 1.00 16.73 ? 110 HIS A C 1 ATOM 770 O O . HIS A 1 93 ? 61.378 2.337 -8.375 1.00 18.73 ? 110 HIS A O 1 ATOM 771 C CB . HIS A 1 93 ? 63.693 2.758 -6.145 1.00 18.15 ? 110 HIS A CB 1 ATOM 772 C CG . HIS A 1 93 ? 63.977 3.197 -4.745 1.00 17.73 ? 110 HIS A CG 1 ATOM 773 N ND1 . HIS A 1 93 ? 63.049 3.199 -3.721 1.00 21.25 ? 110 HIS A ND1 1 ATOM 774 C CD2 . HIS A 1 93 ? 65.123 3.681 -4.215 1.00 13.14 ? 110 HIS A CD2 1 ATOM 775 C CE1 . HIS A 1 93 ? 63.634 3.649 -2.615 1.00 13.93 ? 110 HIS A CE1 1 ATOM 776 N NE2 . HIS A 1 93 ? 64.882 3.961 -2.894 1.00 23.38 ? 110 HIS A NE2 1 ATOM 777 N N . SER A 1 94 ? 62.888 0.637 -8.406 1.00 16.61 ? 111 SER A N 1 ATOM 778 C CA . SER A 1 94 ? 62.653 0.389 -9.845 1.00 16.54 ? 111 SER A CA 1 ATOM 779 C C . SER A 1 94 ? 61.212 -0.062 -10.115 1.00 18.14 ? 111 SER A C 1 ATOM 780 O O . SER A 1 94 ? 60.712 0.069 -11.242 1.00 20.07 ? 111 SER A O 1 ATOM 781 C CB . SER A 1 94 ? 63.642 -0.610 -10.446 1.00 17.60 ? 111 SER A CB 1 ATOM 782 O OG . SER A 1 94 ? 63.345 -1.941 -10.064 1.00 18.11 ? 111 SER A OG 1 ATOM 783 N N . LEU A 1 95 ? 60.576 -0.618 -9.088 1.00 16.10 ? 112 LEU A N 1 ATOM 784 C CA . LEU A 1 95 ? 59.182 -1.028 -9.130 1.00 17.38 ? 112 LEU A CA 1 ATOM 785 C C . LEU A 1 95 ? 58.164 -0.021 -8.603 1.00 16.90 ? 112 LEU A C 1 ATOM 786 O O . LEU A 1 95 ? 56.999 -0.371 -8.446 1.00 18.63 ? 112 LEU A O 1 ATOM 787 C CB . LEU A 1 95 ? 59.031 -2.346 -8.392 1.00 15.77 ? 112 LEU A CB 1 ATOM 788 C CG . LEU A 1 95 ? 59.840 -3.511 -8.942 1.00 18.88 ? 112 LEU A CG 1 ATOM 789 C CD1 . LEU A 1 95 ? 59.666 -4.720 -8.007 1.00 20.17 ? 112 LEU A CD1 1 ATOM 790 C CD2 . LEU A 1 95 ? 59.461 -3.828 -10.395 1.00 25.76 ? 112 LEU A CD2 1 ATOM 791 N N . GLY A 1 96 ? 58.595 1.212 -8.330 1.00 18.75 ? 113 GLY A N 1 ATOM 792 C CA . GLY A 1 96 ? 57.695 2.270 -7.850 1.00 17.02 ? 113 GLY A CA 1 ATOM 793 C C . GLY A 1 96 ? 57.306 2.101 -6.383 1.00 19.12 ? 113 GLY A C 1 ATOM 794 O O . GLY A 1 96 ? 56.279 2.632 -5.939 1.00 18.94 ? 113 GLY A O 1 ATOM 795 N N . LEU A 1 97 ? 58.128 1.359 -5.639 1.00 16.27 ? 114 LEU A N 1 ATOM 796 C CA . LEU A 1 97 ? 57.917 1.120 -4.230 1.00 14.71 ? 114 LEU A CA 1 ATOM 797 C C . LEU A 1 97 ? 58.981 1.835 -3.381 1.00 18.51 ? 114 LEU A C 1 ATOM 798 O O . LEU A 1 97 ? 59.959 2.402 -3.892 1.00 18.36 ? 114 LEU A O 1 ATOM 799 C CB . LEU A 1 97 ? 57.931 -0.404 -3.951 1.00 14.87 ? 114 LEU A CB 1 ATOM 800 C CG . LEU A 1 97 ? 56.912 -1.245 -4.731 1.00 17.68 ? 114 LEU A CG 1 ATOM 801 C CD1 . LEU A 1 97 ? 57.285 -2.724 -4.587 1.00 21.28 ? 114 LEU A CD1 1 ATOM 802 C CD2 . LEU A 1 97 ? 55.520 -1.019 -4.196 1.00 20.51 ? 114 LEU A CD2 1 ATOM 803 N N . LYS A 1 98 ? 58.739 1.812 -2.083 1.00 15.39 ? 115 LYS A N 1 ATOM 804 C CA . LYS A 1 98 ? 59.628 2.394 -1.068 1.00 12.87 ? 115 LYS A CA 1 ATOM 805 C C . LYS A 1 98 ? 60.121 1.338 -0.099 1.00 16.41 ? 115 LYS A C 1 ATOM 806 O O . LYS A 1 98 ? 59.396 0.374 0.210 1.00 17.06 ? 115 LYS A O 1 ATOM 807 C CB . LYS A 1 98 ? 58.922 3.527 -0.314 1.00 16.18 ? 115 LYS A CB 1 ATOM 808 C CG . LYS A 1 98 ? 58.568 4.703 -1.230 1.00 22.41 ? 115 LYS A CG 1 ATOM 809 C CD . LYS A 1 98 ? 57.975 5.897 -0.510 1.00 23.76 ? 115 LYS A CD 1 ATOM 810 C CE . LYS A 1 98 ? 57.803 7.059 -1.512 1.00 30.37 ? 115 LYS A CE 1 ATOM 811 N NZ . LYS A 1 98 ? 57.498 8.360 -0.867 1.00 39.71 ? 115 LYS A NZ 1 ATOM 812 N N . LEU A 1 99 ? 61.354 1.491 0.361 1.00 15.10 ? 116 LEU A N 1 ATOM 813 C CA . LEU A 1 99 ? 61.952 0.500 1.242 1.00 14.64 ? 116 LEU A CA 1 ATOM 814 C C . LEU A 1 99 ? 62.054 0.997 2.684 1.00 15.39 ? 116 LEU A C 1 ATOM 815 O O . LEU A 1 99 ? 62.640 2.050 2.932 1.00 14.85 ? 116 LEU A O 1 ATOM 816 C CB . LEU A 1 99 ? 63.359 0.100 0.782 1.00 15.09 ? 116 LEU A CB 1 ATOM 817 C CG . LEU A 1 99 ? 64.017 -1.052 1.551 1.00 14.38 ? 116 LEU A CG 1 ATOM 818 C CD1 . LEU A 1 99 ? 63.328 -2.387 1.228 1.00 15.85 ? 116 LEU A CD1 1 ATOM 819 C CD2 . LEU A 1 99 ? 65.541 -1.119 1.297 1.00 15.84 ? 116 LEU A CD2 1 ATOM 820 N N . GLY A 1 100 ? 61.483 0.235 3.615 1.00 12.14 ? 117 GLY A N 1 ATOM 821 C CA . GLY A 1 100 ? 61.677 0.497 5.060 1.00 11.94 ? 117 GLY A CA 1 ATOM 822 C C . GLY A 1 100 ? 62.679 -0.442 5.651 1.00 14.22 ? 117 GLY A C 1 ATOM 823 O O . GLY A 1 100 ? 62.865 -1.568 5.207 1.00 13.54 ? 117 GLY A O 1 ATOM 824 N N . ILE A 1 101 ? 63.339 0.049 6.695 1.00 12.73 ? 118 ILE A N 1 ATOM 825 C CA . ILE A 1 101 ? 64.290 -0.749 7.445 1.00 14.05 ? 118 ILE A CA 1 ATOM 826 C C . ILE A 1 101 ? 64.023 -0.594 8.929 1.00 15.06 ? 118 ILE A C 1 ATOM 827 O O . ILE A 1 101 ? 63.114 0.142 9.340 1.00 13.35 ? 118 ILE A O 1 ATOM 828 C CB . ILE A 1 101 ? 65.739 -0.417 7.017 1.00 14.52 ? 118 ILE A CB 1 ATOM 829 C CG1 . ILE A 1 101 ? 66.696 -1.592 7.287 1.00 16.90 ? 118 ILE A CG1 1 ATOM 830 C CG2 . ILE A 1 101 ? 66.206 0.883 7.646 1.00 15.93 ? 118 ILE A CG2 1 ATOM 831 C CD1 . ILE A 1 101 ? 67.879 -1.645 6.305 1.00 16.17 ? 118 ILE A CD1 1 ATOM 832 N N . TYR A 1 102 ? 64.801 -1.316 9.729 1.00 13.57 ? 119 TYR A N 1 ATOM 833 C CA . TYR A 1 102 ? 64.543 -1.487 11.140 1.00 15.91 ? 119 TYR A CA 1 ATOM 834 C C . TYR A 1 102 ? 65.847 -1.332 11.871 1.00 13.80 ? 119 TYR A C 1 ATOM 835 O O . TYR A 1 102 ? 66.908 -1.794 11.420 1.00 13.47 ? 119 TYR A O 1 ATOM 836 C CB . TYR A 1 102 ? 63.952 -2.895 11.352 1.00 14.16 ? 119 TYR A CB 1 ATOM 837 C CG . TYR A 1 102 ? 63.923 -3.370 12.794 1.00 12.61 ? 119 TYR A CG 1 ATOM 838 C CD1 . TYR A 1 102 ? 62.750 -3.329 13.541 1.00 14.44 ? 119 TYR A CD1 1 ATOM 839 C CD2 . TYR A 1 102 ? 65.035 -3.900 13.378 1.00 13.73 ? 119 TYR A CD2 1 ATOM 840 C CE1 . TYR A 1 102 ? 62.703 -3.780 14.850 1.00 12.75 ? 119 TYR A CE1 1 ATOM 841 C CE2 . TYR A 1 102 ? 65.025 -4.324 14.693 1.00 12.72 ? 119 TYR A CE2 1 ATOM 842 C CZ . TYR A 1 102 ? 63.848 -4.262 15.441 1.00 11.92 ? 119 TYR A CZ 1 ATOM 843 O OH . TYR A 1 102 ? 63.879 -4.694 16.782 1.00 14.51 ? 119 TYR A OH 1 ATOM 844 N N . ALA A 1 103 ? 65.783 -0.682 13.032 1.00 12.70 ? 120 ALA A N 1 ATOM 845 C CA . ALA A 1 103 ? 66.898 -0.601 13.945 1.00 13.24 ? 120 ALA A CA 1 ATOM 846 C C . ALA A 1 103 ? 66.332 -0.571 15.355 1.00 13.22 ? 120 ALA A C 1 ATOM 847 O O . ALA A 1 103 ? 65.117 -0.460 15.549 1.00 13.92 ? 120 ALA A O 1 ATOM 848 C CB . ALA A 1 103 ? 67.769 0.661 13.659 1.00 12.93 ? 120 ALA A CB 1 ATOM 849 N N . ASP A 1 104 ? 67.205 -0.681 16.349 1.00 13.13 ? 121 ASP A N 1 ATOM 850 C CA . ASP A 1 104 ? 66.759 -0.630 17.731 1.00 16.63 ? 121 ASP A CA 1 ATOM 851 C C . ASP A 1 104 ? 67.567 0.389 18.501 1.00 16.28 ? 121 ASP A C 1 ATOM 852 O O . ASP A 1 104 ? 68.808 0.347 18.513 1.00 16.57 ? 121 ASP A O 1 ATOM 853 C CB . ASP A 1 104 ? 66.886 -2.005 18.367 1.00 15.18 ? 121 ASP A CB 1 ATOM 854 C CG . ASP A 1 104 ? 66.337 -2.063 19.767 1.00 14.21 ? 121 ASP A CG 1 ATOM 855 O OD1 . ASP A 1 104 ? 66.931 -1.388 20.664 1.00 14.98 ? 121 ASP A OD1 1 ATOM 856 O OD2 . ASP A 1 104 ? 65.348 -2.773 20.014 1.00 14.86 ? 121 ASP A OD2 1 ATOM 857 N N . MET A 1 105 ? 66.843 1.285 19.164 1.00 14.81 ? 122 MET A N 1 ATOM 858 C CA . MET A 1 105 ? 67.432 2.286 20.041 1.00 17.46 ? 122 MET A CA 1 ATOM 859 C C . MET A 1 105 ? 67.766 1.601 21.367 1.00 19.01 ? 122 MET A C 1 ATOM 860 O O . MET A 1 105 ? 66.928 1.499 22.253 1.00 21.46 ? 122 MET A O 1 ATOM 861 C CB . MET A 1 105 ? 66.446 3.442 20.241 1.00 16.91 ? 122 MET A CB 1 ATOM 862 C CG . MET A 1 105 ? 66.924 4.583 21.094 1.00 21.25 ? 122 MET A CG 1 ATOM 863 S SD . MET A 1 105 ? 68.313 5.437 20.281 1.00 24.53 ? 122 MET A SD 1 ATOM 864 C CE . MET A 1 105 ? 69.584 4.920 21.399 1.00 21.83 ? 122 MET A CE 1 ATOM 865 N N . GLY A 1 106 ? 68.978 1.071 21.456 1.00 16.63 ? 123 GLY A N 1 ATOM 866 C CA . GLY A 1 106 ? 69.393 0.209 22.556 1.00 15.51 ? 123 GLY A CA 1 ATOM 867 C C . GLY A 1 106 ? 70.624 -0.605 22.183 1.00 18.23 ? 123 GLY A C 1 ATOM 868 O O . GLY A 1 106 ? 71.151 -0.475 21.081 1.00 17.81 ? 123 GLY A O 1 ATOM 869 N N . ASN A 1 107 ? 71.099 -1.424 23.119 1.00 18.46 ? 124 ASN A N 1 ATOM 870 C CA . ASN A 1 107 ? 72.320 -2.200 22.906 1.00 19.40 ? 124 ASN A CA 1 ATOM 871 C C . ASN A 1 107 ? 72.198 -3.266 21.834 1.00 17.28 ? 124 ASN A C 1 ATOM 872 O O . ASN A 1 107 ? 73.182 -3.577 21.124 1.00 17.61 ? 124 ASN A O 1 ATOM 873 C CB . ASN A 1 107 ? 72.742 -2.897 24.191 1.00 17.03 ? 124 ASN A CB 1 ATOM 874 C CG . ASN A 1 107 ? 73.373 -1.960 25.193 1.00 32.47 ? 124 ASN A CG 1 ATOM 875 O OD1 . ASN A 1 107 ? 73.478 -0.758 24.984 1.00 27.09 ? 124 ASN A OD1 1 ATOM 876 N ND2 . ASN A 1 107 ? 73.801 -2.534 26.292 1.00 43.80 ? 124 ASN A ND2 1 ATOM 877 N N . PHE A 1 108 ? 70.978 -3.801 21.706 1.00 16.71 ? 125 PHE A N 1 ATOM 878 C CA . PHE A 1 108 ? 70.684 -4.881 20.791 1.00 15.74 ? 125 PHE A CA 1 ATOM 879 C C . PHE A 1 108 ? 69.270 -4.688 20.260 1.00 17.30 ? 125 PHE A C 1 ATOM 880 O O . PHE A 1 108 ? 68.431 -4.043 20.901 1.00 15.36 ? 125 PHE A O 1 ATOM 881 C CB . PHE A 1 108 ? 70.747 -6.261 21.464 1.00 16.23 ? 125 PHE A CB 1 ATOM 882 C CG . PHE A 1 108 ? 72.060 -6.577 22.108 1.00 18.28 ? 125 PHE A CG 1 ATOM 883 C CD1 . PHE A 1 108 ? 72.239 -6.441 23.484 1.00 23.00 ? 125 PHE A CD1 1 ATOM 884 C CD2 . PHE A 1 108 ? 73.129 -6.994 21.330 1.00 22.42 ? 125 PHE A CD2 1 ATOM 885 C CE1 . PHE A 1 108 ? 73.457 -6.715 24.068 1.00 31.79 ? 125 PHE A CE1 1 ATOM 886 C CE2 . PHE A 1 108 ? 74.356 -7.276 21.919 1.00 31.14 ? 125 PHE A CE2 1 ATOM 887 C CZ . PHE A 1 108 ? 74.514 -7.132 23.288 1.00 33.48 ? 125 PHE A CZ 1 ATOM 888 N N . THR A 1 109 ? 68.991 -5.259 19.099 1.00 15.93 ? 126 THR A N 1 ATOM 889 C CA . THR A 1 109 ? 67.602 -5.391 18.696 1.00 14.71 ? 126 THR A CA 1 ATOM 890 C C . THR A 1 109 ? 66.914 -6.388 19.648 1.00 14.16 ? 126 THR A C 1 ATOM 891 O O . THR A 1 109 ? 67.570 -7.086 20.428 1.00 15.36 ? 126 THR A O 1 ATOM 892 C CB . THR A 1 109 ? 67.428 -5.861 17.249 1.00 13.34 ? 126 THR A CB 1 ATOM 893 O OG1 . THR A 1 109 ? 67.737 -7.257 17.158 1.00 14.10 ? 126 THR A OG1 1 ATOM 894 C CG2 . THR A 1 109 ? 68.321 -5.036 16.297 1.00 15.77 ? 126 THR A CG2 1 ATOM 895 N N . CYS A 1 110 ? 65.590 -6.424 19.631 1.00 13.43 ? 127 CYS A N 1 ATOM 896 C CA . CYS A 1 110 ? 64.850 -7.342 20.493 1.00 12.75 ? 127 CYS A CA 1 ATOM 897 C C . CYS A 1 110 ? 65.279 -8.808 20.337 1.00 15.12 ? 127 CYS A C 1 ATOM 898 O O . CYS A 1 110 ? 65.251 -9.574 21.313 1.00 16.86 ? 127 CYS A O 1 ATOM 899 C CB . CYS A 1 110 ? 63.344 -7.192 20.257 1.00 17.07 ? 127 CYS A CB 1 ATOM 900 S SG . CYS A 1 110 ? 62.706 -5.527 20.673 1.00 19.42 ? 127 CYS A SG 1 ATOM 901 N N . MET A 1 111 ? 65.660 -9.208 19.119 1.00 15.36 ? 128 MET A N 1 ATOM 902 C CA . MET A 1 111 ? 66.095 -10.578 18.851 1.00 15.97 ? 128 MET A CA 1 ATOM 903 C C . MET A 1 111 ? 67.620 -10.748 19.017 1.00 18.47 ? 128 MET A C 1 ATOM 904 O O . MET A 1 111 ? 68.153 -11.814 18.739 1.00 17.66 ? 128 MET A O 1 ATOM 905 C CB . MET A 1 111 ? 65.637 -11.062 17.476 1.00 16.49 ? 128 MET A CB 1 ATOM 906 C CG . MET A 1 111 ? 64.121 -11.223 17.352 1.00 18.05 ? 128 MET A CG 1 ATOM 907 S SD . MET A 1 111 ? 63.441 -12.340 18.591 1.00 21.14 ? 128 MET A SD 1 ATOM 908 C CE . MET A 1 111 ? 64.308 -13.881 18.234 1.00 30.53 ? 128 MET A CE 1 ATOM 909 N N . GLY A 1 112 ? 68.302 -9.697 19.474 1.00 14.64 ? 129 GLY A N 1 ATOM 910 C CA . GLY A 1 112 ? 69.711 -9.783 19.883 1.00 17.96 ? 129 GLY A CA 1 ATOM 911 C C . GLY A 1 112 ? 70.733 -9.412 18.823 1.00 15.07 ? 129 GLY A C 1 ATOM 912 O O . GLY A 1 112 ? 71.928 -9.669 18.993 1.00 20.11 ? 129 GLY A O 1 ATOM 913 N N . TYR A 1 113 ? 70.267 -8.779 17.748 1.00 15.65 ? 130 TYR A N 1 ATOM 914 C CA . TYR A 1 113 ? 71.130 -8.282 16.691 1.00 15.79 ? 130 TYR A CA 1 ATOM 915 C C . TYR A 1 113 ? 71.758 -6.953 17.122 1.00 16.26 ? 130 TYR A C 1 ATOM 916 O O . TYR A 1 113 ? 71.306 -6.359 18.112 1.00 16.35 ? 130 TYR A O 1 ATOM 917 C CB . TYR A 1 113 ? 70.316 -8.182 15.386 1.00 16.22 ? 130 TYR A CB 1 ATOM 918 C CG . TYR A 1 113 ? 69.969 -9.562 14.823 1.00 19.83 ? 130 TYR A CG 1 ATOM 919 C CD1 . TYR A 1 113 ? 70.673 -10.076 13.759 1.00 20.00 ? 130 TYR A CD1 1 ATOM 920 C CD2 . TYR A 1 113 ? 68.966 -10.357 15.390 1.00 15.72 ? 130 TYR A CD2 1 ATOM 921 C CE1 . TYR A 1 113 ? 70.393 -11.372 13.275 1.00 23.69 ? 130 TYR A CE1 1 ATOM 922 C CE2 . TYR A 1 113 ? 68.721 -11.639 14.962 1.00 16.74 ? 130 TYR A CE2 1 ATOM 923 C CZ . TYR A 1 113 ? 69.430 -12.138 13.890 1.00 21.77 ? 130 TYR A CZ 1 ATOM 924 O OH . TYR A 1 113 ? 69.155 -13.407 13.418 1.00 22.72 ? 130 TYR A OH 1 ATOM 925 N N . PRO A 1 114 ? 72.802 -6.475 16.412 1.00 15.56 ? 131 PRO A N 1 ATOM 926 C CA . PRO A 1 114 ? 73.475 -5.230 16.854 1.00 14.55 ? 131 PRO A CA 1 ATOM 927 C C . PRO A 1 114 ? 72.525 -4.035 16.999 1.00 15.71 ? 131 PRO A C 1 ATOM 928 O O . PRO A 1 114 ? 71.732 -3.746 16.098 1.00 15.10 ? 131 PRO A O 1 ATOM 929 C CB . PRO A 1 114 ? 74.533 -4.973 15.772 1.00 16.72 ? 131 PRO A CB 1 ATOM 930 C CG . PRO A 1 114 ? 74.831 -6.366 15.207 1.00 19.86 ? 131 PRO A CG 1 ATOM 931 C CD . PRO A 1 114 ? 73.505 -7.117 15.278 1.00 20.80 ? 131 PRO A CD 1 ATOM 932 N N . GLY A 1 115 ? 72.607 -3.361 18.137 1.00 17.01 ? 132 GLY A N 1 ATOM 933 C CA . GLY A 1 115 ? 71.767 -2.213 18.419 1.00 16.26 ? 132 GLY A CA 1 ATOM 934 C C . GLY A 1 115 ? 72.339 -0.897 17.935 1.00 15.66 ? 132 GLY A C 1 ATOM 935 O O . GLY A 1 115 ? 73.552 -0.768 17.664 1.00 17.91 ? 132 GLY A O 1 ATOM 936 N N . THR A 1 116 ? 71.453 0.082 17.847 1.00 15.57 ? 133 THR A N 1 ATOM 937 C CA . THR A 1 116 ? 71.805 1.452 17.537 1.00 15.62 ? 133 THR A CA 1 ATOM 938 C C . THR A 1 116 ? 71.851 2.189 18.874 1.00 17.18 ? 133 THR A C 1 ATOM 939 O O . THR A 1 116 ? 70.853 2.719 19.342 1.00 17.90 ? 133 THR A O 1 ATOM 940 C CB . THR A 1 116 ? 70.822 2.069 16.534 1.00 18.01 ? 133 THR A CB 1 ATOM 941 O OG1 . THR A 1 116 ? 70.865 1.316 15.316 1.00 15.77 ? 133 THR A OG1 1 ATOM 942 C CG2 . THR A 1 116 ? 71.176 3.534 16.248 1.00 17.15 ? 133 THR A CG2 1 ATOM 943 N N . THR A 1 117 ? 73.012 2.150 19.519 1.00 19.22 ? 134 THR A N 1 ATOM 944 C CA . THR A 1 117 ? 73.230 2.879 20.741 1.00 18.72 ? 134 THR A CA 1 ATOM 945 C C . THR A 1 117 ? 73.338 4.369 20.457 1.00 17.21 ? 134 THR A C 1 ATOM 946 O O . THR A 1 117 ? 73.424 4.787 19.304 1.00 19.63 ? 134 THR A O 1 ATOM 947 C CB . THR A 1 117 ? 74.512 2.388 21.424 1.00 20.16 ? 134 THR A CB 1 ATOM 948 O OG1 . THR A 1 117 ? 75.575 2.407 20.478 1.00 21.15 ? 134 THR A OG1 1 ATOM 949 C CG2 . THR A 1 117 ? 74.340 0.960 21.949 1.00 22.64 ? 134 THR A CG2 1 ATOM 950 N N . LEU A 1 118 ? 73.318 5.193 21.510 1.00 18.28 ? 135 LEU A N 1 ATOM 951 C CA . LEU A 1 118 ? 73.339 6.629 21.288 1.00 20.76 ? 135 LEU A CA 1 ATOM 952 C C . LEU A 1 118 ? 74.528 7.042 20.423 1.00 21.04 ? 135 LEU A C 1 ATOM 953 O O . LEU A 1 118 ? 74.392 7.908 19.554 1.00 20.38 ? 135 LEU A O 1 ATOM 954 C CB . LEU A 1 118 ? 73.335 7.392 22.617 1.00 21.14 ? 135 LEU A CB 1 ATOM 955 C CG . LEU A 1 118 ? 72.030 7.337 23.403 1.00 19.03 ? 135 LEU A CG 1 ATOM 956 C CD1 . LEU A 1 118 ? 72.221 7.890 24.822 1.00 24.32 ? 135 LEU A CD1 1 ATOM 957 C CD2 . LEU A 1 118 ? 70.886 8.084 22.689 1.00 22.56 ? 135 LEU A CD2 1 ATOM 958 N N . ASP A 1 119 ? 75.681 6.410 20.643 1.00 21.30 ? 136 ASP A N 1 ATOM 959 C CA . ASP A 1 119 ? 76.885 6.770 19.885 1.00 20.41 ? 136 ASP A CA 1 ATOM 960 C C . ASP A 1 119 ? 76.895 6.275 18.425 1.00 20.95 ? 136 ASP A C 1 ATOM 961 O O . ASP A 1 119 ? 77.824 6.594 17.678 1.00 21.71 ? 136 ASP A O 1 ATOM 962 C CB . ASP A 1 119 ? 78.162 6.363 20.631 1.00 23.95 ? 136 ASP A CB 1 ATOM 963 C CG . ASP A 1 119 ? 78.418 4.872 20.653 1.00 33.60 ? 136 ASP A CG 1 ATOM 964 O OD1 . ASP A 1 119 ? 77.572 4.082 20.238 1.00 38.74 ? 136 ASP A OD1 1 ATOM 965 O OD2 . ASP A 1 119 ? 79.509 4.497 21.131 1.00 48.02 ? 136 ASP A OD2 1 ATOM 966 N N . LYS A 1 120 ? 75.859 5.521 18.033 1.00 16.88 ? 137 LYS A N 1 ATOM 967 C CA . LYS A 1 120 ? 75.695 5.035 16.651 1.00 18.04 ? 137 LYS A CA 1 ATOM 968 C C . LYS A 1 120 ? 74.532 5.656 15.913 1.00 18.64 ? 137 LYS A C 1 ATOM 969 O O . LYS A 1 120 ? 74.358 5.391 14.725 1.00 16.47 ? 137 LYS A O 1 ATOM 970 C CB . LYS A 1 120 ? 75.548 3.506 16.616 1.00 18.97 ? 137 LYS A CB 1 ATOM 971 C CG . LYS A 1 120 ? 76.724 2.736 17.192 1.00 25.46 ? 137 LYS A CG 1 ATOM 972 C CD . LYS A 1 120 ? 77.950 2.828 16.300 1.00 26.75 ? 137 LYS A CD 1 ATOM 973 C CE . LYS A 1 120 ? 79.044 1.834 16.751 1.00 31.30 ? 137 LYS A CE 1 ATOM 974 N NZ . LYS A 1 120 ? 79.286 1.901 18.227 1.00 39.95 ? 137 LYS A NZ 1 ATOM 975 N N . VAL A 1 121 ? 73.721 6.453 16.593 1.00 17.87 ? 138 VAL A N 1 ATOM 976 C CA . VAL A 1 121 ? 72.518 7.009 15.990 1.00 17.34 ? 138 VAL A CA 1 ATOM 977 C C . VAL A 1 121 ? 72.844 7.770 14.719 1.00 18.87 ? 138 VAL A C 1 ATOM 978 O O . VAL A 1 121 ? 72.231 7.536 13.689 1.00 17.94 ? 138 VAL A O 1 ATOM 979 C CB . VAL A 1 121 ? 71.753 7.918 16.989 1.00 17.77 ? 138 VAL A CB 1 ATOM 980 C CG1 . VAL A 1 121 ? 70.768 8.837 16.239 1.00 19.83 ? 138 VAL A CG1 1 ATOM 981 C CG2 . VAL A 1 121 ? 71.060 7.061 18.046 1.00 17.90 ? 138 VAL A CG2 1 ATOM 982 N N . VAL A 1 122 ? 73.813 8.681 14.772 1.00 18.28 ? 139 VAL A N 1 ATOM 983 C CA . VAL A 1 122 ? 74.091 9.495 13.607 1.00 17.45 ? 139 VAL A CA 1 ATOM 984 C C . VAL A 1 122 ? 74.639 8.645 12.445 1.00 16.44 ? 139 VAL A C 1 ATOM 985 O O . VAL A 1 122 ? 74.169 8.737 11.308 1.00 20.50 ? 139 VAL A O 1 ATOM 986 C CB . VAL A 1 122 ? 75.021 10.653 13.950 1.00 20.00 ? 139 VAL A CB 1 ATOM 987 C CG1 . VAL A 1 122 ? 75.528 11.335 12.680 1.00 22.79 ? 139 VAL A CG1 1 ATOM 988 C CG2 . VAL A 1 122 ? 74.290 11.647 14.876 1.00 21.92 ? 139 VAL A CG2 1 ATOM 989 N N . GLN A 1 123 ? 75.626 7.811 12.744 1.00 19.53 ? 140 GLN A N 1 ATOM 990 C CA . GLN A 1 123 ? 76.238 6.956 11.733 1.00 19.20 ? 140 GLN A CA 1 ATOM 991 C C . GLN A 1 123 ? 75.196 6.068 11.042 1.00 16.16 ? 140 GLN A C 1 ATOM 992 O O . GLN A 1 123 ? 75.228 5.868 9.829 1.00 18.65 ? 140 GLN A O 1 ATOM 993 C CB . GLN A 1 123 ? 77.302 6.081 12.392 1.00 22.16 ? 140 GLN A CB 1 ATOM 994 C CG . GLN A 1 123 ? 78.055 5.196 11.441 1.00 32.99 ? 140 GLN A CG 1 ATOM 995 C CD . GLN A 1 123 ? 79.245 4.503 12.087 1.00 54.09 ? 140 GLN A CD 1 ATOM 996 O OE1 . GLN A 1 123 ? 79.349 4.386 13.330 1.00 32.82 ? 140 GLN A OE1 1 ATOM 997 N NE2 . GLN A 1 123 ? 80.157 4.028 11.237 1.00 43.64 ? 140 GLN A NE2 1 ATOM 998 N N . ASP A 1 124 ? 74.286 5.513 11.832 1.00 17.12 ? 141 ASP A N 1 ATOM 999 C CA . ASP A 1 124 ? 73.280 4.602 11.280 1.00 15.60 ? 141 ASP A CA 1 ATOM 1000 C C . ASP A 1 124 ? 72.277 5.378 10.427 1.00 16.05 ? 141 ASP A C 1 ATOM 1001 O O . ASP A 1 124 ? 71.908 4.927 9.337 1.00 16.55 ? 141 ASP A O 1 ATOM 1002 C CB . ASP A 1 124 ? 72.617 3.780 12.405 1.00 17.86 ? 141 ASP A CB 1 ATOM 1003 C CG . ASP A 1 124 ? 73.570 2.745 13.028 1.00 21.73 ? 141 ASP A CG 1 ATOM 1004 O OD1 . ASP A 1 124 ? 73.174 2.087 14.020 1.00 16.79 ? 141 ASP A OD1 1 ATOM 1005 O OD2 . ASP A 1 124 ? 74.722 2.570 12.532 1.00 19.43 ? 141 ASP A OD2 1 ATOM 1006 N N . ALA A 1 125 ? 71.842 6.553 10.893 1.00 16.91 ? 142 ALA A N 1 ATOM 1007 C CA . ALA A 1 125 ? 70.992 7.431 10.062 1.00 15.64 ? 142 ALA A CA 1 ATOM 1008 C C . ALA A 1 125 ? 71.674 7.726 8.730 1.00 15.20 ? 142 ALA A C 1 ATOM 1009 O O . ALA A 1 125 ? 71.048 7.646 7.667 1.00 17.01 ? 142 ALA A O 1 ATOM 1010 C CB . ALA A 1 125 ? 70.657 8.761 10.805 1.00 17.59 ? 142 ALA A CB 1 ATOM 1011 N N . GLN A 1 126 ? 72.960 8.062 8.769 1.00 15.77 ? 143 GLN A N 1 ATOM 1012 C CA . GLN A 1 126 ? 73.714 8.387 7.552 1.00 18.76 ? 143 GLN A CA 1 ATOM 1013 C C . GLN A 1 126 ? 73.806 7.177 6.613 1.00 16.33 ? 143 GLN A C 1 ATOM 1014 O O . GLN A 1 126 ? 73.624 7.292 5.386 1.00 18.81 ? 143 GLN A O 1 ATOM 1015 C CB . GLN A 1 126 ? 75.102 8.934 7.925 1.00 18.75 ? 143 GLN A CB 1 ATOM 1016 C CG . GLN A 1 126 ? 75.033 10.312 8.586 1.00 20.87 ? 143 GLN A CG 1 ATOM 1017 C CD . GLN A 1 126 ? 76.362 10.822 9.121 1.00 26.86 ? 143 GLN A CD 1 ATOM 1018 O OE1 . GLN A 1 126 ? 76.586 12.047 9.188 1.00 30.24 ? 143 GLN A OE1 1 ATOM 1019 N NE2 . GLN A 1 126 ? 77.245 9.909 9.510 1.00 23.71 ? 143 GLN A NE2 1 ATOM 1020 N N . THR A 1 127 ? 74.039 6.007 7.187 1.00 15.13 ? 144 THR A N 1 ATOM 1021 C CA . THR A 1 127 ? 74.090 4.767 6.419 1.00 15.87 ? 144 THR A CA 1 ATOM 1022 C C . THR A 1 127 ? 72.756 4.502 5.738 1.00 16.14 ? 144 THR A C 1 ATOM 1023 O O . THR A 1 127 ? 72.728 4.214 4.563 1.00 17.00 ? 144 THR A O 1 ATOM 1024 C CB . THR A 1 127 ? 74.472 3.583 7.343 1.00 17.11 ? 144 THR A CB 1 ATOM 1025 O OG1 . THR A 1 127 ? 75.809 3.769 7.807 1.00 18.74 ? 144 THR A OG1 1 ATOM 1026 C CG2 . THR A 1 127 ? 74.358 2.249 6.630 1.00 16.72 ? 144 THR A CG2 1 ATOM 1027 N N . PHE A 1 128 ? 71.653 4.600 6.479 1.00 16.15 ? 145 PHE A N 1 ATOM 1028 C CA . PHE A 1 128 ? 70.324 4.364 5.910 1.00 15.39 ? 145 PHE A CA 1 ATOM 1029 C C . PHE A 1 128 ? 70.023 5.337 4.776 1.00 14.97 ? 145 PHE A C 1 ATOM 1030 O O . PHE A 1 128 ? 69.518 4.934 3.714 1.00 15.38 ? 145 PHE A O 1 ATOM 1031 C CB . PHE A 1 128 ? 69.234 4.414 6.994 1.00 14.75 ? 145 PHE A CB 1 ATOM 1032 C CG . PHE A 1 128 ? 69.393 3.375 8.100 1.00 13.99 ? 145 PHE A CG 1 ATOM 1033 C CD1 . PHE A 1 128 ? 69.906 2.113 7.848 1.00 15.93 ? 145 PHE A CD1 1 ATOM 1034 C CD2 . PHE A 1 128 ? 68.969 3.661 9.391 1.00 16.42 ? 145 PHE A CD2 1 ATOM 1035 C CE1 . PHE A 1 128 ? 70.052 1.168 8.862 1.00 17.15 ? 145 PHE A CE1 1 ATOM 1036 C CE2 . PHE A 1 128 ? 69.111 2.709 10.434 1.00 16.72 ? 145 PHE A CE2 1 ATOM 1037 C CZ . PHE A 1 128 ? 69.646 1.460 10.158 1.00 18.55 ? 145 PHE A CZ 1 ATOM 1038 N N . ALA A 1 129 ? 70.373 6.612 4.941 1.00 16.64 ? 146 ALA A N 1 ATOM 1039 C CA . ALA A 1 129 ? 70.170 7.589 3.863 1.00 17.06 ? 146 ALA A CA 1 ATOM 1040 C C . ALA A 1 129 ? 71.014 7.280 2.625 1.00 14.69 ? 146 ALA A C 1 ATOM 1041 O O . ALA A 1 129 ? 70.533 7.392 1.474 1.00 18.86 ? 146 ALA A O 1 ATOM 1042 C CB . ALA A 1 129 ? 70.428 9.010 4.353 1.00 17.70 ? 146 ALA A CB 1 ATOM 1043 N N . GLU A 1 130 ? 72.267 6.895 2.860 1.00 18.74 ? 147 GLU A N 1 ATOM 1044 C CA . GLU A 1 130 ? 73.194 6.539 1.792 1.00 18.09 ? 147 GLU A CA 1 ATOM 1045 C C . GLU A 1 130 ? 72.680 5.346 1.016 1.00 17.82 ? 147 GLU A C 1 ATOM 1046 O O . GLU A 1 130 ? 72.783 5.307 -0.210 1.00 19.06 ? 147 GLU A O 1 ATOM 1047 C CB . GLU A 1 130 ? 74.578 6.258 2.375 1.00 20.44 ? 147 GLU A CB 1 ATOM 1048 C CG . GLU A 1 130 ? 75.320 7.549 2.744 1.00 33.75 ? 147 GLU A CG 1 ATOM 1049 C CD . GLU A 1 130 ? 76.467 7.374 3.736 1.00 45.84 ? 147 GLU A CD 1 ATOM 1050 O OE1 . GLU A 1 130 ? 76.875 6.217 4.002 1.00 49.26 ? 147 GLU A OE1 1 ATOM 1051 O OE2 . GLU A 1 130 ? 76.967 8.419 4.243 1.00 38.77 ? 147 GLU A OE2 1 ATOM 1052 N N . TRP A 1 131 ? 72.066 4.398 1.731 1.00 16.07 ? 148 TRP A N 1 ATOM 1053 C CA . TRP A 1 131 ? 71.426 3.244 1.099 1.00 15.73 ? 148 TRP A CA 1 ATOM 1054 C C . TRP A 1 131 ? 70.124 3.539 0.338 1.00 16.87 ? 148 TRP A C 1 ATOM 1055 O O . TRP A 1 131 ? 69.625 2.691 -0.396 1.00 18.80 ? 148 TRP A O 1 ATOM 1056 C CB . TRP A 1 131 ? 71.136 2.154 2.131 1.00 15.90 ? 148 TRP A CB 1 ATOM 1057 C CG . TRP A 1 131 ? 72.345 1.508 2.727 1.00 14.74 ? 148 TRP A CG 1 ATOM 1058 C CD1 . TRP A 1 131 ? 73.650 1.606 2.293 1.00 16.70 ? 148 TRP A CD1 1 ATOM 1059 C CD2 . TRP A 1 131 ? 72.363 0.613 3.851 1.00 16.29 ? 148 TRP A CD2 1 ATOM 1060 N NE1 . TRP A 1 131 ? 74.483 0.853 3.122 1.00 17.13 ? 148 TRP A NE1 1 ATOM 1061 C CE2 . TRP A 1 131 ? 73.701 0.219 4.053 1.00 15.61 ? 148 TRP A CE2 1 ATOM 1062 C CE3 . TRP A 1 131 ? 71.369 0.094 4.704 1.00 15.27 ? 148 TRP A CE3 1 ATOM 1063 C CZ2 . TRP A 1 131 ? 74.066 -0.659 5.071 1.00 13.90 ? 148 TRP A CZ2 1 ATOM 1064 C CZ3 . TRP A 1 131 ? 71.749 -0.764 5.737 1.00 14.46 ? 148 TRP A CZ3 1 ATOM 1065 C CH2 . TRP A 1 131 ? 73.074 -1.142 5.891 1.00 15.61 ? 148 TRP A CH2 1 ATOM 1066 N N . LYS A 1 132 ? 69.582 4.735 0.547 1.00 15.69 ? 149 LYS A N 1 ATOM 1067 C CA . LYS A 1 132 ? 68.346 5.237 -0.050 1.00 14.56 ? 149 LYS A CA 1 ATOM 1068 C C . LYS A 1 132 ? 67.089 4.544 0.506 1.00 15.15 ? 149 LYS A C 1 ATOM 1069 O O . LYS A 1 132 ? 66.111 4.359 -0.204 1.00 16.60 ? 149 LYS A O 1 ATOM 1070 C CB . LYS A 1 132 ? 68.384 5.260 -1.582 1.00 18.03 ? 149 LYS A CB 1 ATOM 1071 C CG . LYS A 1 132 ? 69.588 6.041 -2.156 1.00 19.88 ? 149 LYS A CG 1 ATOM 1072 C CD . LYS A 1 132 ? 69.466 6.227 -3.652 1.00 29.30 ? 149 LYS A CD 1 ATOM 1073 C CE . LYS A 1 132 ? 70.722 6.879 -4.221 1.00 43.91 ? 149 LYS A CE 1 ATOM 1074 N NZ . LYS A 1 132 ? 70.978 8.206 -3.591 1.00 52.34 ? 149 LYS A NZ 1 ATOM 1075 N N A VAL A 1 133 ? 67.137 4.211 1.790 0.50 15.44 ? 150 VAL A N 1 ATOM 1076 N N B VAL A 1 133 ? 67.113 4.176 1.784 0.50 15.28 ? 150 VAL A N 1 ATOM 1077 C CA A VAL A 1 133 ? 65.982 3.774 2.551 0.50 14.66 ? 150 VAL A CA 1 ATOM 1078 C CA B VAL A 1 133 ? 65.906 3.703 2.443 0.50 14.10 ? 150 VAL A CA 1 ATOM 1079 C C A VAL A 1 133 ? 64.946 4.916 2.612 0.50 16.10 ? 150 VAL A C 1 ATOM 1080 C C B VAL A 1 133 ? 64.946 4.884 2.600 0.50 17.26 ? 150 VAL A C 1 ATOM 1081 O O A VAL A 1 133 ? 65.299 6.110 2.510 0.50 13.45 ? 150 VAL A O 1 ATOM 1082 O O B VAL A 1 133 ? 65.350 6.060 2.574 0.50 18.83 ? 150 VAL A O 1 ATOM 1083 C CB A VAL A 1 133 ? 66.455 3.329 3.963 0.50 16.94 ? 150 VAL A CB 1 ATOM 1084 C CB B VAL A 1 133 ? 66.188 3.031 3.808 0.50 19.64 ? 150 VAL A CB 1 ATOM 1085 C CG1 A VAL A 1 133 ? 65.312 3.248 4.942 0.50 23.82 ? 150 VAL A CG1 1 ATOM 1086 C CG1 B VAL A 1 133 ? 67.414 2.111 3.716 0.50 17.13 ? 150 VAL A CG1 1 ATOM 1087 C CG2 A VAL A 1 133 ? 67.204 1.985 3.877 0.50 12.58 ? 150 VAL A CG2 1 ATOM 1088 C CG2 B VAL A 1 133 ? 66.379 4.066 4.905 0.50 14.96 ? 150 VAL A CG2 1 ATOM 1089 N N . ASP A 1 134 ? 63.673 4.546 2.745 1.00 14.06 ? 151 ASP A N 1 ATOM 1090 C CA . ASP A 1 134 ? 62.576 5.529 2.755 1.00 13.59 ? 151 ASP A CA 1 ATOM 1091 C C . ASP A 1 134 ? 61.824 5.607 4.064 1.00 15.96 ? 151 ASP A C 1 ATOM 1092 O O . ASP A 1 134 ? 61.016 6.514 4.253 1.00 15.85 ? 151 ASP A O 1 ATOM 1093 C CB . ASP A 1 134 ? 61.611 5.186 1.644 1.00 16.08 ? 151 ASP A CB 1 ATOM 1094 C CG . ASP A 1 134 ? 62.288 5.170 0.288 1.00 17.38 ? 151 ASP A CG 1 ATOM 1095 O OD1 . ASP A 1 134 ? 62.805 6.224 -0.137 1.00 16.91 ? 151 ASP A OD1 1 ATOM 1096 O OD2 . ASP A 1 134 ? 62.342 4.077 -0.316 1.00 15.79 ? 151 ASP A OD2 1 ATOM 1097 N N . MET A 1 135 ? 62.058 4.636 4.956 1.00 14.30 ? 152 MET A N 1 ATOM 1098 C CA . MET A 1 135 ? 61.345 4.554 6.222 1.00 14.80 ? 152 MET A CA 1 ATOM 1099 C C . MET A 1 135 ? 62.230 3.804 7.192 1.00 14.13 ? 152 MET A C 1 ATOM 1100 O O . MET A 1 135 ? 62.977 2.908 6.783 1.00 14.88 ? 152 MET A O 1 ATOM 1101 C CB . MET A 1 135 ? 59.993 3.851 6.031 1.00 15.20 ? 152 MET A CB 1 ATOM 1102 C CG . MET A 1 135 ? 59.172 3.722 7.296 1.00 16.34 ? 152 MET A CG 1 ATOM 1103 S SD . MET A 1 135 ? 57.433 3.381 6.920 1.00 17.92 ? 152 MET A SD 1 ATOM 1104 C CE . MET A 1 135 ? 56.836 2.986 8.553 1.00 18.72 ? 152 MET A CE 1 ATOM 1105 N N . LEU A 1 136 ? 62.163 4.195 8.468 1.00 13.79 ? 153 LEU A N 1 ATOM 1106 C CA . LEU A 1 136 ? 62.869 3.541 9.564 1.00 14.36 ? 153 LEU A CA 1 ATOM 1107 C C . LEU A 1 136 ? 61.890 3.302 10.705 1.00 14.52 ? 153 LEU A C 1 ATOM 1108 O O . LEU A 1 136 ? 61.209 4.248 11.166 1.00 14.83 ? 153 LEU A O 1 ATOM 1109 C CB . LEU A 1 136 ? 63.969 4.444 10.079 1.00 14.27 ? 153 LEU A CB 1 ATOM 1110 C CG . LEU A 1 136 ? 64.681 3.925 11.322 1.00 13.68 ? 153 LEU A CG 1 ATOM 1111 C CD1 . LEU A 1 136 ? 65.379 2.602 11.044 1.00 16.32 ? 153 LEU A CD1 1 ATOM 1112 C CD2 . LEU A 1 136 ? 65.684 4.943 11.891 1.00 16.22 ? 153 LEU A CD2 1 ATOM 1113 N N . LYS A 1 137 ? 61.826 2.045 11.149 1.00 11.89 ? 154 LYS A N 1 ATOM 1114 C CA . LYS A 1 137 ? 61.141 1.674 12.365 1.00 12.81 ? 154 LYS A CA 1 ATOM 1115 C C . LYS A 1 137 ? 62.229 1.524 13.418 1.00 12.37 ? 154 LYS A C 1 ATOM 1116 O O . LYS A 1 137 ? 63.140 0.711 13.247 1.00 13.36 ? 154 LYS A O 1 ATOM 1117 C CB . LYS A 1 137 ? 60.375 0.360 12.191 1.00 15.13 ? 154 LYS A CB 1 ATOM 1118 C CG . LYS A 1 137 ? 59.800 -0.230 13.479 1.00 15.52 ? 154 LYS A CG 1 ATOM 1119 C CD . LYS A 1 137 ? 58.877 -1.403 13.137 1.00 15.07 ? 154 LYS A CD 1 ATOM 1120 C CE . LYS A 1 137 ? 58.525 -2.244 14.377 1.00 14.06 ? 154 LYS A CE 1 ATOM 1121 N NZ . LYS A 1 137 ? 57.713 -3.431 13.939 1.00 13.81 ? 154 LYS A NZ 1 ATOM 1122 N N . LEU A 1 138 ? 62.143 2.301 14.501 1.00 14.73 ? 155 LEU A N 1 ATOM 1123 C CA . LEU A 1 138 ? 63.135 2.271 15.565 1.00 14.79 ? 155 LEU A CA 1 ATOM 1124 C C . LEU A 1 138 ? 62.532 1.662 16.829 1.00 14.49 ? 155 LEU A C 1 ATOM 1125 O O . LEU A 1 138 ? 61.748 2.301 17.556 1.00 13.47 ? 155 LEU A O 1 ATOM 1126 C CB . LEU A 1 138 ? 63.698 3.675 15.806 1.00 13.97 ? 155 LEU A CB 1 ATOM 1127 C CG . LEU A 1 138 ? 64.859 3.782 16.805 1.00 13.25 ? 155 LEU A CG 1 ATOM 1128 C CD1 . LEU A 1 138 ? 66.108 3.068 16.246 1.00 13.44 ? 155 LEU A CD1 1 ATOM 1129 C CD2 . LEU A 1 138 ? 65.184 5.272 17.108 1.00 16.38 ? 155 LEU A CD2 1 ATOM 1130 N N . ASP A 1 139 ? 62.903 0.407 17.053 1.00 14.00 ? 156 ASP A N 1 ATOM 1131 C CA . ASP A 1 139 ? 62.421 -0.395 18.172 1.00 14.63 ? 156 ASP A CA 1 ATOM 1132 C C . ASP A 1 139 ? 63.150 0.066 19.460 1.00 14.22 ? 156 ASP A C 1 ATOM 1133 O O . ASP A 1 139 ? 64.127 0.821 19.403 1.00 16.41 ? 156 ASP A O 1 ATOM 1134 C CB . ASP A 1 139 ? 62.667 -1.880 17.843 1.00 12.70 ? 156 ASP A CB 1 ATOM 1135 C CG . ASP A 1 139 ? 61.656 -2.811 18.476 1.00 16.49 ? 156 ASP A CG 1 ATOM 1136 O OD1 . ASP A 1 139 ? 60.875 -2.380 19.382 1.00 16.16 ? 156 ASP A OD1 1 ATOM 1137 O OD2 . ASP A 1 139 ? 61.676 -3.991 18.066 1.00 16.29 ? 156 ASP A OD2 1 ATOM 1138 N N . GLY A 1 140 ? 62.659 -0.379 20.605 1.00 13.64 ? 157 GLY A N 1 ATOM 1139 C CA . GLY A 1 140 ? 63.152 0.128 21.893 1.00 13.67 ? 157 GLY A CA 1 ATOM 1140 C C . GLY A 1 140 ? 63.631 -0.872 22.915 1.00 16.58 ? 157 GLY A C 1 ATOM 1141 O O . GLY A 1 140 ? 63.703 -0.522 24.087 1.00 17.87 ? 157 GLY A O 1 ATOM 1142 N N . CYS A 1 141 ? 63.977 -2.086 22.501 1.00 15.38 ? 158 CYS A N 1 ATOM 1143 C CA . CYS A 1 141 ? 64.562 -3.039 23.438 1.00 16.70 ? 158 CYS A CA 1 ATOM 1144 C C . CYS A 1 141 ? 65.962 -2.655 23.902 1.00 16.95 ? 158 CYS A C 1 ATOM 1145 O O . CYS A 1 141 ? 66.710 -1.933 23.226 1.00 15.76 ? 158 CYS A O 1 ATOM 1146 C CB . CYS A 1 141 ? 64.645 -4.433 22.834 1.00 18.02 ? 158 CYS A CB 1 ATOM 1147 S SG . CYS A 1 141 ? 63.053 -5.338 22.756 1.00 20.43 ? 158 CYS A SG 1 ATOM 1148 N N . PHE A 1 142 ? 66.312 -3.157 25.078 1.00 17.83 ? 159 PHE A N 1 ATOM 1149 C CA . PHE A 1 142 ? 67.671 -3.076 25.560 1.00 19.33 ? 159 PHE A CA 1 ATOM 1150 C C . PHE A 1 142 ? 68.163 -1.639 25.742 1.00 20.30 ? 159 PHE A C 1 ATOM 1151 O O . PHE A 1 142 ? 69.330 -1.311 25.486 1.00 18.68 ? 159 PHE A O 1 ATOM 1152 C CB . PHE A 1 142 ? 68.592 -3.942 24.688 1.00 17.20 ? 159 PHE A CB 1 ATOM 1153 C CG . PHE A 1 142 ? 68.250 -5.403 24.751 1.00 19.93 ? 159 PHE A CG 1 ATOM 1154 C CD1 . PHE A 1 142 ? 67.738 -6.070 23.652 1.00 18.70 ? 159 PHE A CD1 1 ATOM 1155 C CD2 . PHE A 1 142 ? 68.418 -6.108 25.948 1.00 22.35 ? 159 PHE A CD2 1 ATOM 1156 C CE1 . PHE A 1 142 ? 67.394 -7.396 23.724 1.00 20.14 ? 159 PHE A CE1 1 ATOM 1157 C CE2 . PHE A 1 142 ? 68.076 -7.434 26.045 1.00 30.41 ? 159 PHE A CE2 1 ATOM 1158 C CZ . PHE A 1 142 ? 67.564 -8.094 24.923 1.00 26.84 ? 159 PHE A CZ 1 ATOM 1159 N N . SER A 1 143 ? 67.253 -0.786 26.220 1.00 20.92 ? 160 SER A N 1 ATOM 1160 C CA . SER A 1 143 ? 67.595 0.593 26.553 1.00 20.15 ? 160 SER A CA 1 ATOM 1161 C C . SER A 1 143 ? 66.898 1.019 27.819 1.00 18.51 ? 160 SER A C 1 ATOM 1162 O O . SER A 1 143 ? 65.989 0.345 28.307 1.00 21.29 ? 160 SER A O 1 ATOM 1163 C CB . SER A 1 143 ? 67.200 1.538 25.428 1.00 19.17 ? 160 SER A CB 1 ATOM 1164 O OG . SER A 1 143 ? 65.842 1.341 25.095 1.00 25.89 ? 160 SER A OG 1 ATOM 1165 N N . THR A 1 144 ? 67.367 2.131 28.364 1.00 23.95 ? 161 THR A N 1 ATOM 1166 C CA . THR A 1 144 ? 66.771 2.738 29.544 1.00 24.19 ? 161 THR A CA 1 ATOM 1167 C C . THR A 1 144 ? 65.813 3.835 29.081 1.00 21.99 ? 161 THR A C 1 ATOM 1168 O O . THR A 1 144 ? 65.917 4.335 27.946 1.00 21.56 ? 161 THR A O 1 ATOM 1169 C CB . THR A 1 144 ? 67.844 3.348 30.462 1.00 25.10 ? 161 THR A CB 1 ATOM 1170 O OG1 . THR A 1 144 ? 68.487 4.437 29.795 1.00 25.46 ? 161 THR A OG1 1 ATOM 1171 C CG2 . THR A 1 144 ? 68.910 2.300 30.865 1.00 26.89 ? 161 THR A CG2 1 ATOM 1172 N N . PRO A 1 145 ? 64.860 4.225 29.945 1.00 25.02 ? 162 PRO A N 1 ATOM 1173 C CA . PRO A 1 145 ? 63.969 5.333 29.581 1.00 24.58 ? 162 PRO A CA 1 ATOM 1174 C C . PRO A 1 145 ? 64.749 6.603 29.205 1.00 23.32 ? 162 PRO A C 1 ATOM 1175 O O . PRO A 1 145 ? 64.356 7.313 28.278 1.00 24.53 ? 162 PRO A O 1 ATOM 1176 C CB . PRO A 1 145 ? 63.145 5.552 30.856 1.00 30.51 ? 162 PRO A CB 1 ATOM 1177 C CG . PRO A 1 145 ? 63.148 4.225 31.524 1.00 33.01 ? 162 PRO A CG 1 ATOM 1178 C CD . PRO A 1 145 ? 64.488 3.625 31.241 1.00 26.62 ? 162 PRO A CD 1 ATOM 1179 N N . GLU A 1 146 ? 65.846 6.860 29.911 1.00 24.29 ? 163 GLU A N 1 ATOM 1180 C CA . GLU A 1 146 ? 66.679 8.036 29.661 1.00 23.07 ? 163 GLU A CA 1 ATOM 1181 C C . GLU A 1 146 ? 67.367 7.963 28.306 1.00 22.70 ? 163 GLU A C 1 ATOM 1182 O O . GLU A 1 146 ? 67.476 8.965 27.598 1.00 25.84 ? 163 GLU A O 1 ATOM 1183 C CB . GLU A 1 146 ? 67.738 8.195 30.761 1.00 30.80 ? 163 GLU A CB 1 ATOM 1184 C CG . GLU A 1 146 ? 67.151 8.421 32.148 1.00 42.25 ? 163 GLU A CG 1 ATOM 1185 C CD . GLU A 1 146 ? 67.049 7.146 32.992 1.00 60.52 ? 163 GLU A CD 1 ATOM 1186 O OE1 . GLU A 1 146 ? 67.380 7.234 34.194 1.00 56.09 ? 163 GLU A OE1 1 ATOM 1187 O OE2 . GLU A 1 146 ? 66.642 6.070 32.475 1.00 35.77 ? 163 GLU A OE2 1 ATOM 1188 N N . GLU A 1 147 ? 67.817 6.767 27.932 1.00 22.64 ? 164 GLU A N 1 ATOM 1189 C CA . GLU A 1 147 ? 68.380 6.555 26.591 1.00 23.79 ? 164 GLU A CA 1 ATOM 1190 C C . GLU A 1 147 ? 67.363 6.777 25.480 1.00 22.87 ? 164 GLU A C 1 ATOM 1191 O O . GLU A 1 147 ? 67.670 7.396 24.469 1.00 23.43 ? 164 GLU A O 1 ATOM 1192 C CB . GLU A 1 147 ? 69.005 5.162 26.486 1.00 21.64 ? 164 GLU A CB 1 ATOM 1193 C CG . GLU A 1 147 ? 70.292 5.079 27.343 1.00 25.02 ? 164 GLU A CG 1 ATOM 1194 C CD . GLU A 1 147 ? 70.878 3.676 27.485 1.00 41.38 ? 164 GLU A CD 1 ATOM 1195 O OE1 . GLU A 1 147 ? 70.214 2.704 27.121 1.00 30.85 ? 164 GLU A OE1 1 ATOM 1196 O OE2 . GLU A 1 147 ? 72.010 3.543 27.992 1.00 32.28 ? 164 GLU A OE2 1 ATOM 1197 N N . ARG A 1 148 ? 66.158 6.257 25.667 1.00 20.58 ? 165 ARG A N 1 ATOM 1198 C CA . ARG A 1 148 ? 65.094 6.464 24.707 1.00 18.46 ? 165 ARG A CA 1 ATOM 1199 C C . ARG A 1 148 ? 64.737 7.952 24.605 1.00 18.01 ? 165 ARG A C 1 ATOM 1200 O O . ARG A 1 148 ? 64.553 8.465 23.518 1.00 18.97 ? 165 ARG A O 1 ATOM 1201 C CB . ARG A 1 148 ? 63.886 5.613 25.073 1.00 18.14 ? 165 ARG A CB 1 ATOM 1202 C CG . ARG A 1 148 ? 64.126 4.123 24.905 1.00 19.90 ? 165 ARG A CG 1 ATOM 1203 C CD . ARG A 1 148 ? 62.824 3.319 25.021 1.00 21.79 ? 165 ARG A CD 1 ATOM 1204 N NE . ARG A 1 148 ? 62.366 3.288 26.399 1.00 36.44 ? 165 ARG A NE 1 ATOM 1205 C CZ . ARG A 1 148 ? 62.627 2.313 27.269 1.00 28.45 ? 165 ARG A CZ 1 ATOM 1206 N NH1 . ARG A 1 148 ? 63.317 1.234 26.905 1.00 40.90 ? 165 ARG A NH1 1 ATOM 1207 N NH2 . ARG A 1 148 ? 62.152 2.398 28.486 1.00 35.51 ? 165 ARG A NH2 1 ATOM 1208 N N . ALA A 1 149 ? 64.708 8.655 25.732 1.00 17.65 ? 166 ALA A N 1 ATOM 1209 C CA . ALA A 1 149 ? 64.341 10.065 25.727 1.00 19.59 ? 166 ALA A CA 1 ATOM 1210 C C . ALA A 1 149 ? 65.356 10.908 24.960 1.00 20.02 ? 166 ALA A C 1 ATOM 1211 O O . ALA A 1 149 ? 64.996 11.902 24.331 1.00 21.76 ? 166 ALA A O 1 ATOM 1212 C CB . ALA A 1 149 ? 64.187 10.579 27.176 1.00 21.33 ? 166 ALA A CB 1 ATOM 1213 N N . GLN A 1 150 ? 66.626 10.531 25.036 1.00 21.70 ? 167 GLN A N 1 ATOM 1214 C CA . GLN A 1 150 ? 67.669 11.183 24.232 1.00 20.64 ? 167 GLN A CA 1 ATOM 1215 C C . GLN A 1 150 ? 67.660 10.698 22.797 1.00 20.64 ? 167 GLN A C 1 ATOM 1216 O O . GLN A 1 150 ? 67.783 11.496 21.864 1.00 22.38 ? 167 GLN A O 1 ATOM 1217 C CB . GLN A 1 150 ? 69.048 10.940 24.839 1.00 27.61 ? 167 GLN A CB 1 ATOM 1218 C CG . GLN A 1 150 ? 69.228 11.650 26.158 1.00 32.46 ? 167 GLN A CG 1 ATOM 1219 C CD . GLN A 1 150 ? 70.606 11.469 26.759 1.00 47.87 ? 167 GLN A CD 1 ATOM 1220 O OE1 . GLN A 1 150 ? 71.589 11.257 26.052 1.00 42.36 ? 167 GLN A OE1 1 ATOM 1221 N NE2 . GLN A 1 150 ? 70.685 11.571 28.084 1.00 64.87 ? 167 GLN A NE2 1 ATOM 1222 N N . GLY A 1 151 ? 67.528 9.381 22.639 1.00 20.37 ? 168 GLY A N 1 ATOM 1223 C CA . GLY A 1 151 ? 67.740 8.725 21.355 1.00 17.05 ? 168 GLY A CA 1 ATOM 1224 C C . GLY A 1 151 ? 66.707 8.927 20.266 1.00 18.09 ? 168 GLY A C 1 ATOM 1225 O O . GLY A 1 151 ? 67.064 9.070 19.112 1.00 18.53 ? 168 GLY A O 1 ATOM 1226 N N . TYR A 1 152 ? 65.426 8.941 20.629 1.00 18.02 ? 169 TYR A N 1 ATOM 1227 C CA . TYR A 1 152 ? 64.389 9.123 19.609 1.00 16.17 ? 169 TYR A CA 1 ATOM 1228 C C . TYR A 1 152 ? 64.463 10.524 18.979 1.00 17.37 ? 169 TYR A C 1 ATOM 1229 O O . TYR A 1 152 ? 64.503 10.641 17.756 1.00 18.28 ? 169 TYR A O 1 ATOM 1230 C CB . TYR A 1 152 ? 62.998 8.756 20.138 1.00 18.53 ? 169 TYR A CB 1 ATOM 1231 C CG . TYR A 1 152 ? 62.746 7.256 20.119 1.00 16.11 ? 169 TYR A CG 1 ATOM 1232 C CD1 . TYR A 1 152 ? 62.198 6.612 18.989 1.00 18.15 ? 169 TYR A CD1 1 ATOM 1233 C CD2 . TYR A 1 152 ? 63.122 6.467 21.215 1.00 17.15 ? 169 TYR A CD2 1 ATOM 1234 C CE1 . TYR A 1 152 ? 61.998 5.247 18.980 1.00 16.52 ? 169 TYR A CE1 1 ATOM 1235 C CE2 . TYR A 1 152 ? 62.917 5.093 21.206 1.00 15.25 ? 169 TYR A CE2 1 ATOM 1236 C CZ . TYR A 1 152 ? 62.349 4.489 20.090 1.00 14.14 ? 169 TYR A CZ 1 ATOM 1237 O OH . TYR A 1 152 ? 62.172 3.129 20.130 1.00 16.54 ? 169 TYR A OH 1 ATOM 1238 N N . PRO A 1 153 ? 64.559 11.598 19.804 1.00 18.59 ? 170 PRO A N 1 ATOM 1239 C CA . PRO A 1 153 ? 64.791 12.906 19.172 1.00 19.88 ? 170 PRO A CA 1 ATOM 1240 C C . PRO A 1 153 ? 66.109 13.000 18.395 1.00 21.98 ? 170 PRO A C 1 ATOM 1241 O O . PRO A 1 153 ? 66.174 13.636 17.333 1.00 20.59 ? 170 PRO A O 1 ATOM 1242 C CB . PRO A 1 153 ? 64.758 13.881 20.360 1.00 21.91 ? 170 PRO A CB 1 ATOM 1243 C CG . PRO A 1 153 ? 64.001 13.166 21.423 1.00 23.99 ? 170 PRO A CG 1 ATOM 1244 C CD . PRO A 1 153 ? 64.313 11.717 21.252 1.00 22.98 ? 170 PRO A CD 1 ATOM 1245 N N . LYS A 1 154 ? 67.160 12.382 18.916 1.00 19.73 ? 171 LYS A N 1 ATOM 1246 C CA . LYS A 1 154 ? 68.464 12.378 18.258 1.00 21.23 ? 171 LYS A CA 1 ATOM 1247 C C . LYS A 1 154 ? 68.370 11.751 16.868 1.00 17.63 ? 171 LYS A C 1 ATOM 1248 O O . LYS A 1 154 ? 68.955 12.270 15.908 1.00 19.49 ? 171 LYS A O 1 ATOM 1249 C CB . LYS A 1 154 ? 69.485 11.627 19.121 1.00 18.87 ? 171 LYS A CB 1 ATOM 1250 C CG . LYS A 1 154 ? 70.962 11.787 18.705 1.00 24.82 ? 171 LYS A CG 1 ATOM 1251 C CD . LYS A 1 154 ? 71.876 10.930 19.602 1.00 23.57 ? 171 LYS A CD 1 ATOM 1252 C CE . LYS A 1 154 ? 73.366 11.070 19.272 1.00 30.96 ? 171 LYS A CE 1 ATOM 1253 N NZ . LYS A 1 154 ? 73.867 12.431 19.553 1.00 35.53 ? 171 LYS A NZ 1 ATOM 1254 N N . MET A 1 155 ? 67.629 10.643 16.759 1.00 18.54 ? 172 MET A N 1 ATOM 1255 C CA . MET A 1 155 ? 67.454 9.968 15.474 1.00 16.56 ? 172 MET A CA 1 ATOM 1256 C C . MET A 1 155 ? 66.626 10.811 14.515 1.00 17.48 ? 172 MET A C 1 ATOM 1257 O O . MET A 1 155 ? 66.983 10.936 13.347 1.00 17.87 ? 172 MET A O 1 ATOM 1258 C CB . MET A 1 155 ? 66.825 8.571 15.649 1.00 18.16 ? 172 MET A CB 1 ATOM 1259 C CG . MET A 1 155 ? 66.621 7.823 14.357 1.00 16.72 ? 172 MET A CG 1 ATOM 1260 S SD . MET A 1 155 ? 68.158 7.535 13.411 1.00 17.60 ? 172 MET A SD 1 ATOM 1261 C CE . MET A 1 155 ? 68.786 6.099 14.263 1.00 17.62 ? 172 MET A CE 1 ATOM 1262 N N . ALA A 1 156 ? 65.557 11.438 15.003 1.00 18.31 ? 173 ALA A N 1 ATOM 1263 C CA . ALA A 1 156 ? 64.769 12.319 14.138 1.00 18.85 ? 173 ALA A CA 1 ATOM 1264 C C . ALA A 1 156 ? 65.674 13.416 13.560 1.00 18.72 ? 173 ALA A C 1 ATOM 1265 O O . ALA A 1 156 ? 65.639 13.690 12.353 1.00 20.51 ? 173 ALA A O 1 ATOM 1266 C CB . ALA A 1 156 ? 63.581 12.933 14.900 1.00 18.59 ? 173 ALA A CB 1 ATOM 1267 N N . ALA A 1 157 ? 66.499 14.022 14.414 1.00 19.58 ? 174 ALA A N 1 ATOM 1268 C CA . ALA A 1 157 ? 67.391 15.085 13.974 1.00 18.05 ? 174 ALA A CA 1 ATOM 1269 C C . ALA A 1 157 ? 68.428 14.560 12.976 1.00 20.28 ? 174 ALA A C 1 ATOM 1270 O O . ALA A 1 157 ? 68.713 15.204 11.950 1.00 22.73 ? 174 ALA A O 1 ATOM 1271 C CB . ALA A 1 157 ? 68.072 15.742 15.178 1.00 19.92 ? 174 ALA A CB 1 ATOM 1272 N N . ALA A 1 158 ? 68.971 13.375 13.257 1.00 20.60 ? 175 ALA A N 1 ATOM 1273 C CA . ALA A 1 158 ? 69.992 12.777 12.390 1.00 18.67 ? 175 ALA A CA 1 ATOM 1274 C C . ALA A 1 158 ? 69.448 12.430 11.009 1.00 17.16 ? 175 ALA A C 1 ATOM 1275 O O . ALA A 1 158 ? 70.128 12.655 10.019 1.00 19.32 ? 175 ALA A O 1 ATOM 1276 C CB . ALA A 1 158 ? 70.629 11.545 13.054 1.00 20.27 ? 175 ALA A CB 1 ATOM 1277 N N . LEU A 1 159 ? 68.227 11.881 10.950 1.00 18.60 ? 176 LEU A N 1 ATOM 1278 C CA . LEU A 1 159 ? 67.588 11.558 9.674 1.00 18.10 ? 176 LEU A CA 1 ATOM 1279 C C . LEU A 1 159 ? 67.392 12.847 8.889 1.00 18.63 ? 176 LEU A C 1 ATOM 1280 O O . LEU A 1 159 ? 67.721 12.927 7.703 1.00 18.88 ? 176 LEU A O 1 ATOM 1281 C CB . LEU A 1 159 ? 66.242 10.856 9.894 1.00 16.89 ? 176 LEU A CB 1 ATOM 1282 C CG . LEU A 1 159 ? 66.282 9.438 10.474 1.00 18.28 ? 176 LEU A CG 1 ATOM 1283 C CD1 . LEU A 1 159 ? 64.857 9.002 10.923 1.00 17.97 ? 176 LEU A CD1 1 ATOM 1284 C CD2 . LEU A 1 159 ? 66.901 8.410 9.470 1.00 16.54 ? 176 LEU A CD2 1 ATOM 1285 N N . ASN A 1 160 ? 66.873 13.868 9.561 1.00 18.83 ? 177 ASN A N 1 ATOM 1286 C CA . ASN A 1 160 ? 66.678 15.144 8.906 1.00 20.60 ? 177 ASN A CA 1 ATOM 1287 C C . ASN A 1 160 ? 67.978 15.686 8.299 1.00 19.10 ? 177 ASN A C 1 ATOM 1288 O O . ASN A 1 160 ? 67.989 16.160 7.163 1.00 22.57 ? 177 ASN A O 1 ATOM 1289 C CB . ASN A 1 160 ? 66.142 16.160 9.903 1.00 23.02 ? 177 ASN A CB 1 ATOM 1290 C CG . ASN A 1 160 ? 65.824 17.453 9.241 1.00 25.18 ? 177 ASN A CG 1 ATOM 1291 O OD1 . ASN A 1 160 ? 66.687 18.309 9.053 1.00 25.11 ? 177 ASN A OD1 1 ATOM 1292 N ND2 . ASN A 1 160 ? 64.570 17.577 8.820 1.00 24.98 ? 177 ASN A ND2 1 ATOM 1293 N N . ALA A 1 161 ? 69.064 15.599 9.070 1.00 19.47 ? 178 ALA A N 1 ATOM 1294 C CA . ALA A 1 161 ? 70.355 16.145 8.654 1.00 20.86 ? 178 ALA A CA 1 ATOM 1295 C C . ALA A 1 161 ? 70.932 15.470 7.395 1.00 22.53 ? 178 ALA A C 1 ATOM 1296 O O . ALA A 1 161 ? 71.739 16.077 6.682 1.00 23.58 ? 178 ALA A O 1 ATOM 1297 C CB . ALA A 1 161 ? 71.368 16.091 9.811 1.00 22.70 ? 178 ALA A CB 1 ATOM 1298 N N . THR A 1 162 ? 70.504 14.236 7.097 1.00 19.93 ? 179 THR A N 1 ATOM 1299 C CA . THR A 1 162 ? 70.986 13.532 5.899 1.00 20.78 ? 179 THR A CA 1 ATOM 1300 C C . THR A 1 162 ? 70.488 14.175 4.626 1.00 23.44 ? 179 THR A C 1 ATOM 1301 O O . THR A 1 162 ? 71.054 13.961 3.550 1.00 23.14 ? 179 THR A O 1 ATOM 1302 C CB . THR A 1 162 ? 70.533 12.047 5.851 1.00 20.30 ? 179 THR A CB 1 ATOM 1303 O OG1 . THR A 1 162 ? 69.121 11.960 5.615 1.00 19.37 ? 179 THR A OG1 1 ATOM 1304 C CG2 . THR A 1 162 ? 70.923 11.331 7.125 1.00 19.83 ? 179 THR A CG2 1 ATOM 1305 N N . GLY A 1 163 ? 69.387 14.914 4.743 1.00 20.26 ? 180 GLY A N 1 ATOM 1306 C CA . GLY A 1 163 ? 68.736 15.508 3.589 1.00 25.02 ? 180 GLY A CA 1 ATOM 1307 C C . GLY A 1 163 ? 67.775 14.593 2.845 1.00 23.74 ? 180 GLY A C 1 ATOM 1308 O O . GLY A 1 163 ? 67.059 15.066 1.963 1.00 24.96 ? 180 GLY A O 1 ATOM 1309 N N . ARG A 1 164 ? 67.734 13.299 3.178 1.00 21.07 ? 181 ARG A N 1 ATOM 1310 C CA . ARG A 1 164 ? 66.792 12.393 2.523 1.00 19.59 ? 181 ARG A CA 1 ATOM 1311 C C . ARG A 1 164 ? 65.523 12.294 3.371 1.00 19.15 ? 181 ARG A C 1 ATOM 1312 O O . ARG A 1 164 ? 65.636 12.050 4.566 1.00 19.81 ? 181 ARG A O 1 ATOM 1313 C CB . ARG A 1 164 ? 67.385 10.993 2.360 1.00 20.72 ? 181 ARG A CB 1 ATOM 1314 C CG . ARG A 1 164 ? 66.497 10.076 1.512 1.00 19.32 ? 181 ARG A CG 1 ATOM 1315 C CD . ARG A 1 164 ? 67.044 8.679 1.342 1.00 21.17 ? 181 ARG A CD 1 ATOM 1316 N NE . ARG A 1 164 ? 66.160 7.891 0.489 1.00 19.31 ? 181 ARG A NE 1 ATOM 1317 C CZ . ARG A 1 164 ? 66.052 7.991 -0.841 1.00 20.38 ? 181 ARG A CZ 1 ATOM 1318 N NH1 . ARG A 1 164 ? 66.823 8.835 -1.542 1.00 20.84 ? 181 ARG A NH1 1 ATOM 1319 N NH2 . ARG A 1 164 ? 65.177 7.236 -1.494 1.00 18.89 ? 181 ARG A NH2 1 ATOM 1320 N N . PRO A 1 165 ? 64.337 12.473 2.757 1.00 21.24 ? 182 PRO A N 1 ATOM 1321 C CA . PRO A 1 165 ? 63.096 12.217 3.504 1.00 23.26 ? 182 PRO A CA 1 ATOM 1322 C C . PRO A 1 165 ? 63.008 10.737 3.872 1.00 19.69 ? 182 PRO A C 1 ATOM 1323 O O . PRO A 1 165 ? 63.016 9.864 2.988 1.00 20.03 ? 182 PRO A O 1 ATOM 1324 C CB . PRO A 1 165 ? 61.990 12.625 2.530 1.00 24.41 ? 182 PRO A CB 1 ATOM 1325 C CG . PRO A 1 165 ? 62.686 13.530 1.486 1.00 25.13 ? 182 PRO A CG 1 ATOM 1326 C CD . PRO A 1 165 ? 64.081 12.995 1.402 1.00 22.91 ? 182 PRO A CD 1 ATOM 1327 N N . ILE A 1 166 ? 62.984 10.473 5.176 1.00 18.07 ? 183 ILE A N 1 ATOM 1328 C CA . ILE A 1 166 ? 62.831 9.123 5.699 1.00 14.52 ? 183 ILE A CA 1 ATOM 1329 C C . ILE A 1 166 ? 61.687 9.112 6.717 1.00 15.62 ? 183 ILE A C 1 ATOM 1330 O O . ILE A 1 166 ? 61.775 9.778 7.755 1.00 18.60 ? 183 ILE A O 1 ATOM 1331 C CB . ILE A 1 166 ? 64.156 8.623 6.311 1.00 16.65 ? 183 ILE A CB 1 ATOM 1332 C CG1 . ILE A 1 166 ? 65.224 8.535 5.212 1.00 19.96 ? 183 ILE A CG1 1 ATOM 1333 C CG2 . ILE A 1 166 ? 63.967 7.254 6.965 1.00 18.00 ? 183 ILE A CG2 1 ATOM 1334 C CD1 . ILE A 1 166 ? 66.617 8.190 5.725 1.00 17.10 ? 183 ILE A CD1 1 ATOM 1335 N N . ALA A 1 167 ? 60.601 8.414 6.394 1.00 15.62 ? 184 ALA A N 1 ATOM 1336 C CA . ALA A 1 167 ? 59.458 8.328 7.307 1.00 15.69 ? 184 ALA A CA 1 ATOM 1337 C C . ALA A 1 167 ? 59.934 7.658 8.595 1.00 15.53 ? 184 ALA A C 1 ATOM 1338 O O . ALA A 1 167 ? 60.671 6.677 8.545 1.00 17.24 ? 184 ALA A O 1 ATOM 1339 C CB . ALA A 1 167 ? 58.325 7.542 6.674 1.00 15.23 ? 184 ALA A CB 1 ATOM 1340 N N . PHE A 1 168 ? 59.517 8.176 9.753 1.00 15.32 ? 185 PHE A N 1 ATOM 1341 C CA . PHE A 1 168 ? 60.065 7.726 11.035 1.00 15.19 ? 185 PHE A CA 1 ATOM 1342 C C . PHE A 1 168 ? 58.970 7.123 11.905 1.00 15.14 ? 185 PHE A C 1 ATOM 1343 O O . PHE A 1 168 ? 58.041 7.816 12.325 1.00 15.80 ? 185 PHE A O 1 ATOM 1344 C CB . PHE A 1 168 ? 60.753 8.902 11.723 1.00 17.74 ? 185 PHE A CB 1 ATOM 1345 C CG . PHE A 1 168 ? 61.573 8.552 12.950 1.00 15.50 ? 185 PHE A CG 1 ATOM 1346 C CD1 . PHE A 1 168 ? 62.207 7.323 13.101 1.00 16.29 ? 185 PHE A CD1 1 ATOM 1347 C CD2 . PHE A 1 168 ? 61.755 9.506 13.941 1.00 18.18 ? 185 PHE A CD2 1 ATOM 1348 C CE1 . PHE A 1 168 ? 62.969 7.050 14.238 1.00 15.93 ? 185 PHE A CE1 1 ATOM 1349 C CE2 . PHE A 1 168 ? 62.503 9.242 15.059 1.00 20.18 ? 185 PHE A CE2 1 ATOM 1350 C CZ . PHE A 1 168 ? 63.113 8.012 15.223 1.00 20.55 ? 185 PHE A CZ 1 ATOM 1351 N N . SER A 1 169 ? 59.082 5.813 12.136 1.00 15.42 ? 186 SER A N 1 ATOM 1352 C CA . SER A 1 169 ? 58.155 5.026 12.942 1.00 13.66 ? 186 SER A CA 1 ATOM 1353 C C . SER A 1 169 ? 58.818 4.723 14.282 1.00 15.13 ? 186 SER A C 1 ATOM 1354 O O . SER A 1 169 ? 59.846 4.054 14.338 1.00 17.04 ? 186 SER A O 1 ATOM 1355 C CB . SER A 1 169 ? 57.812 3.734 12.182 1.00 13.29 ? 186 SER A CB 1 ATOM 1356 O OG . SER A 1 169 ? 57.133 2.777 12.972 1.00 16.02 ? 186 SER A OG 1 ATOM 1357 N N . CYS A 1 170 ? 58.223 5.228 15.352 1.00 15.44 ? 187 CYS A N 1 ATOM 1358 C CA . CYS A 1 170 ? 58.848 5.205 16.677 1.00 14.86 ? 187 CYS A CA 1 ATOM 1359 C C . CYS A 1 170 ? 58.130 4.285 17.655 1.00 17.60 ? 187 CYS A C 1 ATOM 1360 O O . CYS A 1 170 ? 56.964 4.504 17.974 1.00 19.04 ? 187 CYS A O 1 ATOM 1361 C CB . CYS A 1 170 ? 58.815 6.584 17.319 1.00 22.45 ? 187 CYS A CB 1 ATOM 1362 S SG . CYS A 1 170 ? 59.614 7.874 16.337 1.00 21.67 ? 187 CYS A SG 1 ATOM 1363 N N . SER A 1 171 ? 58.846 3.327 18.204 1.00 16.59 ? 188 SER A N 1 ATOM 1364 C CA . SER A 1 171 ? 58.263 2.401 19.183 1.00 16.85 ? 188 SER A CA 1 ATOM 1365 C C . SER A 1 171 ? 58.312 2.915 20.616 1.00 17.25 ? 188 SER A C 1 ATOM 1366 O O . SER A 1 171 ? 57.808 2.269 21.519 1.00 16.78 ? 188 SER A O 1 ATOM 1367 C CB . SER A 1 171 ? 58.990 1.059 19.106 1.00 18.12 ? 188 SER A CB 1 ATOM 1368 O OG . SER A 1 171 ? 58.766 0.466 17.834 1.00 18.59 ? 188 SER A OG 1 ATOM 1369 N N . TRP A 1 172 ? 58.933 4.080 20.808 1.00 17.97 ? 189 TRP A N 1 ATOM 1370 C CA . TRP A 1 172 ? 59.151 4.654 22.127 1.00 19.08 ? 189 TRP A CA 1 ATOM 1371 C C . TRP A 1 172 ? 57.959 4.503 23.080 1.00 19.17 ? 189 TRP A C 1 ATOM 1372 O O . TRP A 1 172 ? 58.132 3.913 24.123 1.00 19.38 ? 189 TRP A O 1 ATOM 1373 C CB . TRP A 1 172 ? 59.565 6.111 21.965 1.00 17.43 ? 189 TRP A CB 1 ATOM 1374 C CG . TRP A 1 172 ? 59.992 6.815 23.214 1.00 18.28 ? 189 TRP A CG 1 ATOM 1375 C CD1 . TRP A 1 172 ? 60.219 6.271 24.442 1.00 18.93 ? 189 TRP A CD1 1 ATOM 1376 C CD2 . TRP A 1 172 ? 60.258 8.204 23.325 1.00 19.76 ? 189 TRP A CD2 1 ATOM 1377 N NE1 . TRP A 1 172 ? 60.594 7.253 25.321 1.00 23.70 ? 189 TRP A NE1 1 ATOM 1378 C CE2 . TRP A 1 172 ? 60.640 8.448 24.649 1.00 19.51 ? 189 TRP A CE2 1 ATOM 1379 C CE3 . TRP A 1 172 ? 60.206 9.275 22.422 1.00 21.65 ? 189 TRP A CE3 1 ATOM 1380 C CZ2 . TRP A 1 172 ? 60.936 9.739 25.119 1.00 26.80 ? 189 TRP A CZ2 1 ATOM 1381 C CZ3 . TRP A 1 172 ? 60.525 10.556 22.875 1.00 24.01 ? 189 TRP A CZ3 1 ATOM 1382 C CH2 . TRP A 1 172 ? 60.888 10.771 24.215 1.00 23.67 ? 189 TRP A CH2 1 ATOM 1383 N N . PRO A 1 173 ? 56.751 4.984 22.715 1.00 16.19 ? 190 PRO A N 1 ATOM 1384 C CA . PRO A 1 173 ? 55.679 4.913 23.741 1.00 15.63 ? 190 PRO A CA 1 ATOM 1385 C C . PRO A 1 173 ? 55.303 3.510 24.197 1.00 18.30 ? 190 PRO A C 1 ATOM 1386 O O . PRO A 1 173 ? 54.974 3.310 25.381 1.00 20.15 ? 190 PRO A O 1 ATOM 1387 C CB . PRO A 1 173 ? 54.501 5.618 23.079 1.00 19.68 ? 190 PRO A CB 1 ATOM 1388 C CG . PRO A 1 173 ? 54.811 5.582 21.605 1.00 18.41 ? 190 PRO A CG 1 ATOM 1389 C CD . PRO A 1 173 ? 56.283 5.689 21.506 1.00 19.16 ? 190 PRO A CD 1 ATOM 1390 N N . ALA A 1 174 ? 55.416 2.520 23.304 1.00 18.23 ? 191 ALA A N 1 ATOM 1391 C CA . ALA A 1 174 ? 55.082 1.138 23.699 1.00 19.22 ? 191 ALA A CA 1 ATOM 1392 C C . ALA A 1 174 ? 55.958 0.594 24.806 1.00 24.36 ? 191 ALA A C 1 ATOM 1393 O O . ALA A 1 174 ? 55.537 -0.281 25.544 1.00 26.83 ? 191 ALA A O 1 ATOM 1394 C CB . ALA A 1 174 ? 55.108 0.188 22.479 1.00 15.68 ? 191 ALA A CB 1 ATOM 1395 N N . TYR A 1 175 ? 57.172 1.118 24.924 1.00 17.35 ? 192 TYR A N 1 ATOM 1396 C CA . TYR A 1 175 ? 58.110 0.700 25.967 1.00 15.74 ? 192 TYR A CA 1 ATOM 1397 C C . TYR A 1 175 ? 57.931 1.461 27.266 1.00 21.98 ? 192 TYR A C 1 ATOM 1398 O O . TYR A 1 175 ? 58.577 1.128 28.263 1.00 24.23 ? 192 TYR A O 1 ATOM 1399 C CB . TYR A 1 175 ? 59.534 0.794 25.436 1.00 15.97 ? 192 TYR A CB 1 ATOM 1400 C CG . TYR A 1 175 ? 59.810 -0.303 24.431 1.00 16.22 ? 192 TYR A CG 1 ATOM 1401 C CD1 . TYR A 1 175 ? 60.321 -1.528 24.828 1.00 18.02 ? 192 TYR A CD1 1 ATOM 1402 C CD2 . TYR A 1 175 ? 59.491 -0.137 23.095 1.00 15.95 ? 192 TYR A CD2 1 ATOM 1403 C CE1 . TYR A 1 175 ? 60.540 -2.560 23.891 1.00 16.14 ? 192 TYR A CE1 1 ATOM 1404 C CE2 . TYR A 1 175 ? 59.699 -1.160 22.168 1.00 16.07 ? 192 TYR A CE2 1 ATOM 1405 C CZ . TYR A 1 175 ? 60.208 -2.366 22.580 1.00 18.34 ? 192 TYR A CZ 1 ATOM 1406 O OH . TYR A 1 175 ? 60.427 -3.429 21.721 1.00 17.06 ? 192 TYR A OH 1 ATOM 1407 N N . GLU A 1 176 ? 57.059 2.466 27.245 1.00 19.60 ? 193 GLU A N 1 ATOM 1408 C CA . GLU A 1 176 ? 56.828 3.348 28.405 1.00 22.18 ? 193 GLU A CA 1 ATOM 1409 C C . GLU A 1 176 ? 55.375 3.301 28.850 1.00 21.32 ? 193 GLU A C 1 ATOM 1410 O O . GLU A 1 176 ? 54.946 4.185 29.593 1.00 26.28 ? 193 GLU A O 1 ATOM 1411 C CB . GLU A 1 176 ? 57.205 4.799 28.067 1.00 28.92 ? 193 GLU A CB 1 ATOM 1412 C CG . GLU A 1 176 ? 58.518 4.964 27.310 1.00 48.82 ? 193 GLU A CG 1 ATOM 1413 C CD . GLU A 1 176 ? 59.735 4.987 28.208 1.00 40.23 ? 193 GLU A CD 1 ATOM 1414 O OE1 . GLU A 1 176 ? 59.577 4.865 29.436 1.00 67.23 ? 193 GLU A OE1 1 ATOM 1415 O OE2 . GLU A 1 176 ? 60.862 5.114 27.674 1.00 36.53 ? 193 GLU A OE2 1 ATOM 1416 N N . GLY A 1 177 ? 54.614 2.287 28.431 1.00 19.11 ? 194 GLY A N 1 ATOM 1417 C CA . GLY A 1 177 ? 53.222 2.148 28.872 1.00 19.19 ? 194 GLY A CA 1 ATOM 1418 C C . GLY A 1 177 ? 52.175 2.861 28.049 1.00 20.18 ? 194 GLY A C 1 ATOM 1419 O O . GLY A 1 177 ? 50.963 2.690 28.284 1.00 22.78 ? 194 GLY A O 1 ATOM 1420 N N . GLY A 1 178 ? 52.607 3.647 27.065 1.00 16.95 ? 195 GLY A N 1 ATOM 1421 C CA . GLY A 1 178 ? 51.701 4.196 26.081 1.00 19.47 ? 195 GLY A CA 1 ATOM 1422 C C . GLY A 1 178 ? 50.865 5.387 26.522 1.00 20.17 ? 195 GLY A C 1 ATOM 1423 O O . GLY A 1 178 ? 50.084 5.928 25.728 1.00 20.28 ? 195 GLY A O 1 ATOM 1424 N N . LEU A 1 179 ? 51.010 5.801 27.775 1.00 20.35 ? 196 LEU A N 1 ATOM 1425 C CA . LEU A 1 179 ? 50.103 6.802 28.351 1.00 20.05 ? 196 LEU A CA 1 ATOM 1426 C C . LEU A 1 179 ? 50.827 7.934 29.104 1.00 17.31 ? 196 LEU A C 1 ATOM 1427 O O . LEU A 1 179 ? 51.929 7.759 29.627 1.00 21.27 ? 196 LEU A O 1 ATOM 1428 C CB . LEU A 1 179 ? 49.089 6.127 29.299 1.00 20.76 ? 196 LEU A CB 1 ATOM 1429 C CG . LEU A 1 179 ? 48.146 5.073 28.672 1.00 20.92 ? 196 LEU A CG 1 ATOM 1430 C CD1 . LEU A 1 179 ? 47.393 4.316 29.735 1.00 27.66 ? 196 LEU A CD1 1 ATOM 1431 C CD2 . LEU A 1 179 ? 47.204 5.704 27.631 1.00 27.55 ? 196 LEU A CD2 1 ATOM 1432 N N . PRO A 1 180 ? 50.177 9.106 29.176 1.00 19.76 ? 197 PRO A N 1 ATOM 1433 C CA . PRO A 1 180 ? 50.644 10.108 30.139 1.00 20.94 ? 197 PRO A CA 1 ATOM 1434 C C . PRO A 1 180 ? 50.610 9.533 31.559 1.00 22.05 ? 197 PRO A C 1 ATOM 1435 O O . PRO A 1 180 ? 49.793 8.654 31.850 1.00 22.35 ? 197 PRO A O 1 ATOM 1436 C CB . PRO A 1 180 ? 49.620 11.237 29.993 1.00 22.47 ? 197 PRO A CB 1 ATOM 1437 C CG . PRO A 1 180 ? 48.993 11.030 28.669 1.00 26.37 ? 197 PRO A CG 1 ATOM 1438 C CD . PRO A 1 180 ? 48.948 9.545 28.502 1.00 24.51 ? 197 PRO A CD 1 ATOM 1439 N N . PRO A 1 181 ? 51.475 10.029 32.454 1.00 21.37 ? 198 PRO A N 1 ATOM 1440 C CA . PRO A 1 181 ? 52.424 11.121 32.239 1.00 21.11 ? 198 PRO A CA 1 ATOM 1441 C C . PRO A 1 181 ? 53.731 10.708 31.580 1.00 25.10 ? 198 PRO A C 1 ATOM 1442 O O . PRO A 1 181 ? 54.506 11.560 31.178 1.00 23.72 ? 198 PRO A O 1 ATOM 1443 C CB . PRO A 1 181 ? 52.722 11.589 33.664 1.00 22.47 ? 198 PRO A CB 1 ATOM 1444 C CG . PRO A 1 181 ? 52.540 10.366 34.469 1.00 25.79 ? 198 PRO A CG 1 ATOM 1445 C CD . PRO A 1 181 ? 51.392 9.674 33.881 1.00 22.88 ? 198 PRO A CD 1 ATOM 1446 N N . ARG A 1 182 ? 53.988 9.413 31.462 1.00 22.41 ? 199 ARG A N 1 ATOM 1447 C CA . ARG A 1 182 ? 55.291 8.969 30.958 1.00 26.36 ? 199 ARG A CA 1 ATOM 1448 C C . ARG A 1 182 ? 55.484 9.246 29.473 1.00 23.60 ? 199 ARG A C 1 ATOM 1449 O O . ARG A 1 182 ? 56.610 9.543 29.027 1.00 23.28 ? 199 ARG A O 1 ATOM 1450 C CB . ARG A 1 182 ? 55.494 7.488 31.269 1.00 24.24 ? 199 ARG A CB 1 ATOM 1451 C CG . ARG A 1 182 ? 55.837 7.288 32.717 1.00 25.10 ? 199 ARG A CG 1 ATOM 1452 C CD . ARG A 1 182 ? 56.001 5.826 33.115 1.00 33.29 ? 199 ARG A CD 1 ATOM 1453 N NE . ARG A 1 182 ? 56.614 5.737 34.449 1.00 56.32 ? 199 ARG A NE 1 ATOM 1454 C CZ . ARG A 1 182 ? 56.733 4.628 35.184 1.00 62.07 ? 199 ARG A CZ 1 ATOM 1455 N NH1 . ARG A 1 182 ? 56.279 3.458 34.745 1.00 59.85 ? 199 ARG A NH1 1 ATOM 1456 N NH2 . ARG A 1 182 ? 57.309 4.693 36.381 1.00 57.06 ? 199 ARG A NH2 1 ATOM 1457 N N . VAL A 1 183 ? 54.393 9.147 28.711 1.00 19.29 ? 200 VAL A N 1 ATOM 1458 C CA . VAL A 1 183 ? 54.393 9.443 27.294 1.00 19.91 ? 200 VAL A CA 1 ATOM 1459 C C . VAL A 1 183 ? 53.823 10.840 27.050 1.00 24.25 ? 200 VAL A C 1 ATOM 1460 O O . VAL A 1 183 ? 52.751 11.185 27.559 1.00 21.68 ? 200 VAL A O 1 ATOM 1461 C CB . VAL A 1 183 ? 53.561 8.422 26.516 1.00 20.45 ? 200 VAL A CB 1 ATOM 1462 C CG1 . VAL A 1 183 ? 53.479 8.805 25.027 1.00 20.68 ? 200 VAL A CG1 1 ATOM 1463 C CG2 . VAL A 1 183 ? 54.144 7.038 26.691 1.00 22.75 ? 200 VAL A CG2 1 ATOM 1464 N N . GLN A 1 184 ? 54.577 11.628 26.294 1.00 20.27 ? 201 GLN A N 1 ATOM 1465 C CA . GLN A 1 184 ? 54.201 12.970 25.898 1.00 22.13 ? 201 GLN A CA 1 ATOM 1466 C C . GLN A 1 184 ? 53.870 12.947 24.426 1.00 24.55 ? 201 GLN A C 1 ATOM 1467 O O . GLN A 1 184 ? 54.770 12.883 23.586 1.00 24.16 ? 201 GLN A O 1 ATOM 1468 C CB . GLN A 1 184 ? 55.352 13.930 26.147 1.00 22.99 ? 201 GLN A CB 1 ATOM 1469 C CG . GLN A 1 184 ? 55.759 14.070 27.599 1.00 24.65 ? 201 GLN A CG 1 ATOM 1470 C CD . GLN A 1 184 ? 57.042 14.852 27.742 1.00 30.99 ? 201 GLN A CD 1 ATOM 1471 O OE1 . GLN A 1 184 ? 58.077 14.308 28.126 1.00 34.27 ? 201 GLN A OE1 1 ATOM 1472 N NE2 . GLN A 1 184 ? 56.990 16.129 27.395 1.00 27.44 ? 201 GLN A NE2 1 ATOM 1473 N N . TYR A 1 185 ? 52.582 12.957 24.110 1.00 24.06 ? 202 TYR A N 1 ATOM 1474 C CA . TYR A 1 185 ? 52.149 12.808 22.729 1.00 22.15 ? 202 TYR A CA 1 ATOM 1475 C C . TYR A 1 185 ? 52.430 14.046 21.866 1.00 23.92 ? 202 TYR A C 1 ATOM 1476 O O . TYR A 1 185 ? 52.668 13.909 20.665 1.00 25.39 ? 202 TYR A O 1 ATOM 1477 C CB . TYR A 1 185 ? 50.688 12.337 22.654 1.00 23.61 ? 202 TYR A CB 1 ATOM 1478 C CG . TYR A 1 185 ? 50.573 10.839 22.840 1.00 22.50 ? 202 TYR A CG 1 ATOM 1479 C CD1 . TYR A 1 185 ? 51.023 9.966 21.856 1.00 22.10 ? 202 TYR A CD1 1 ATOM 1480 C CD2 . TYR A 1 185 ? 50.073 10.285 24.011 1.00 22.19 ? 202 TYR A CD2 1 ATOM 1481 C CE1 . TYR A 1 185 ? 50.962 8.589 22.012 1.00 20.69 ? 202 TYR A CE1 1 ATOM 1482 C CE2 . TYR A 1 185 ? 50.015 8.899 24.183 1.00 18.66 ? 202 TYR A CE2 1 ATOM 1483 C CZ . TYR A 1 185 ? 50.450 8.052 23.148 1.00 20.78 ? 202 TYR A CZ 1 ATOM 1484 O OH . TYR A 1 185 ? 50.389 6.700 23.295 1.00 20.75 ? 202 TYR A OH 1 ATOM 1485 N N . SER A 1 186 ? 52.448 15.239 22.460 1.00 26.04 ? 203 SER A N 1 ATOM 1486 C CA . SER A 1 186 ? 52.819 16.429 21.686 1.00 28.11 ? 203 SER A CA 1 ATOM 1487 C C . SER A 1 186 ? 54.280 16.329 21.232 1.00 26.78 ? 203 SER A C 1 ATOM 1488 O O . SER A 1 186 ? 54.605 16.677 20.093 1.00 27.03 ? 203 SER A O 1 ATOM 1489 C CB . SER A 1 186 ? 52.581 17.730 22.462 1.00 33.83 ? 203 SER A CB 1 ATOM 1490 O OG . SER A 1 186 ? 53.233 18.809 21.812 1.00 50.28 ? 203 SER A OG 1 ATOM 1491 N N . LEU A 1 187 ? 55.144 15.829 22.113 1.00 26.10 ? 204 LEU A N 1 ATOM 1492 C CA . LEU A 1 187 ? 56.541 15.578 21.764 1.00 24.29 ? 204 LEU A CA 1 ATOM 1493 C C . LEU A 1 187 ? 56.650 14.534 20.642 1.00 24.82 ? 204 LEU A C 1 ATOM 1494 O O . LEU A 1 187 ? 57.331 14.758 19.642 1.00 24.84 ? 204 LEU A O 1 ATOM 1495 C CB . LEU A 1 187 ? 57.327 15.127 23.011 1.00 25.07 ? 204 LEU A CB 1 ATOM 1496 C CG . LEU A 1 187 ? 58.809 14.762 22.863 1.00 29.48 ? 204 LEU A CG 1 ATOM 1497 C CD1 . LEU A 1 187 ? 59.606 15.912 22.248 1.00 32.09 ? 204 LEU A CD1 1 ATOM 1498 C CD2 . LEU A 1 187 ? 59.364 14.393 24.235 1.00 33.14 ? 204 LEU A CD2 1 ATOM 1499 N N . LEU A 1 188 ? 55.963 13.403 20.794 1.00 20.82 ? 205 LEU A N 1 ATOM 1500 C CA . LEU A 1 188 ? 56.006 12.353 19.778 1.00 18.08 ? 205 LEU A CA 1 ATOM 1501 C C . LEU A 1 188 ? 55.578 12.865 18.426 1.00 21.18 ? 205 LEU A C 1 ATOM 1502 O O . LEU A 1 188 ? 56.191 12.537 17.414 1.00 22.06 ? 205 LEU A O 1 ATOM 1503 C CB . LEU A 1 188 ? 55.137 11.147 20.163 1.00 20.67 ? 205 LEU A CB 1 ATOM 1504 C CG . LEU A 1 188 ? 55.661 10.219 21.256 1.00 24.36 ? 205 LEU A CG 1 ATOM 1505 C CD1 . LEU A 1 188 ? 54.619 9.165 21.578 1.00 22.80 ? 205 LEU A CD1 1 ATOM 1506 C CD2 . LEU A 1 188 ? 56.973 9.563 20.840 1.00 31.62 ? 205 LEU A CD2 1 ATOM 1507 N N . ALA A 1 189 ? 54.511 13.653 18.394 1.00 22.17 ? 206 ALA A N 1 ATOM 1508 C CA . ALA A 1 189 ? 54.042 14.191 17.116 1.00 23.36 ? 206 ALA A CA 1 ATOM 1509 C C . ALA A 1 189 ? 55.096 15.055 16.420 1.00 22.23 ? 206 ALA A C 1 ATOM 1510 O O . ALA A 1 189 ? 55.157 15.113 15.189 1.00 24.21 ? 206 ALA A O 1 ATOM 1511 C CB . ALA A 1 189 ? 52.734 14.974 17.302 1.00 24.65 ? 206 ALA A CB 1 ATOM 1512 N N . ASP A 1 190 ? 55.908 15.756 17.201 1.00 21.47 ? 207 ASP A N 1 ATOM 1513 C CA . ASP A 1 190 ? 56.938 16.644 16.660 1.00 21.60 ? 207 ASP A CA 1 ATOM 1514 C C . ASP A 1 190 ? 58.143 15.875 16.114 1.00 24.86 ? 207 ASP A C 1 ATOM 1515 O O . ASP A 1 190 ? 58.819 16.360 15.205 1.00 26.69 ? 207 ASP A O 1 ATOM 1516 C CB . ASP A 1 190 ? 57.461 17.600 17.732 1.00 25.40 ? 207 ASP A CB 1 ATOM 1517 C CG . ASP A 1 190 ? 56.502 18.742 18.032 1.00 39.64 ? 207 ASP A CG 1 ATOM 1518 O OD1 . ASP A 1 190 ? 55.579 19.004 17.228 1.00 38.23 ? 207 ASP A OD1 1 ATOM 1519 O OD2 . ASP A 1 190 ? 56.692 19.389 19.080 1.00 41.78 ? 207 ASP A OD2 1 ATOM 1520 N N . ILE A 1 191 ? 58.417 14.694 16.666 1.00 20.37 ? 208 ILE A N 1 ATOM 1521 C CA . ILE A 1 191 ? 59.609 13.958 16.249 1.00 20.23 ? 208 ILE A CA 1 ATOM 1522 C C . ILE A 1 191 ? 59.369 12.695 15.422 1.00 19.30 ? 208 ILE A C 1 ATOM 1523 O O . ILE A 1 191 ? 60.308 12.204 14.830 1.00 20.73 ? 208 ILE A O 1 ATOM 1524 C CB . ILE A 1 191 ? 60.519 13.625 17.437 1.00 21.54 ? 208 ILE A CB 1 ATOM 1525 C CG1 . ILE A 1 191 ? 59.827 12.710 18.423 1.00 23.59 ? 208 ILE A CG1 1 ATOM 1526 C CG2 . ILE A 1 191 ? 61.003 14.940 18.143 1.00 23.81 ? 208 ILE A CG2 1 ATOM 1527 C CD1 . ILE A 1 191 ? 60.776 11.805 19.146 1.00 29.74 ? 208 ILE A CD1 1 ATOM 1528 N N . CYS A 1 192 ? 58.133 12.185 15.384 1.00 17.91 ? 209 CYS A N 1 ATOM 1529 C CA . CYS A 1 192 ? 57.815 10.916 14.690 1.00 15.76 ? 209 CYS A CA 1 ATOM 1530 C C . CYS A 1 192 ? 56.684 11.081 13.698 1.00 17.48 ? 209 CYS A C 1 ATOM 1531 O O . CYS A 1 192 ? 55.781 11.869 13.933 1.00 18.83 ? 209 CYS A O 1 ATOM 1532 C CB . CYS A 1 192 ? 57.406 9.876 15.728 1.00 18.71 ? 209 CYS A CB 1 ATOM 1533 S SG . CYS A 1 192 ? 58.669 9.571 16.984 1.00 21.40 ? 209 CYS A SG 1 ATOM 1534 N N . ASN A 1 193 ? 56.706 10.310 12.607 1.00 15.93 ? 210 ASN A N 1 ATOM 1535 C CA . ASN A 1 193 ? 55.572 10.267 11.688 1.00 15.66 ? 210 ASN A CA 1 ATOM 1536 C C . ASN A 1 193 ? 54.476 9.295 12.146 1.00 17.32 ? 210 ASN A C 1 ATOM 1537 O O . ASN A 1 193 ? 53.320 9.379 11.702 1.00 15.64 ? 210 ASN A O 1 ATOM 1538 C CB . ASN A 1 193 ? 55.981 9.852 10.263 1.00 17.64 ? 210 ASN A CB 1 ATOM 1539 C CG . ASN A 1 193 ? 56.797 10.896 9.539 1.00 17.76 ? 210 ASN A CG 1 ATOM 1540 O OD1 . ASN A 1 193 ? 57.946 10.632 9.166 1.00 17.22 ? 210 ASN A OD1 1 ATOM 1541 N ND2 . ASN A 1 193 ? 56.220 12.095 9.325 1.00 17.88 ? 210 ASN A ND2 1 ATOM 1542 N N . LEU A 1 194 ? 54.857 8.337 12.983 1.00 15.35 ? 211 LEU A N 1 ATOM 1543 C CA . LEU A 1 194 ? 53.912 7.372 13.551 1.00 15.21 ? 211 LEU A CA 1 ATOM 1544 C C . LEU A 1 194 ? 54.593 6.691 14.699 1.00 16.56 ? 211 LEU A C 1 ATOM 1545 O O . LEU A 1 194 ? 55.827 6.719 14.802 1.00 16.80 ? 211 LEU A O 1 ATOM 1546 C CB . LEU A 1 194 ? 53.414 6.337 12.527 1.00 15.03 ? 211 LEU A CB 1 ATOM 1547 C CG . LEU A 1 194 ? 54.415 5.388 11.906 1.00 13.51 ? 211 LEU A CG 1 ATOM 1548 C CD1 . LEU A 1 194 ? 53.715 4.125 11.352 1.00 14.32 ? 211 LEU A CD1 1 ATOM 1549 C CD2 . LEU A 1 194 ? 55.222 6.101 10.806 1.00 15.14 ? 211 LEU A CD2 1 ATOM 1550 N N . TRP A 1 195 ? 53.798 6.136 15.610 1.00 15.61 ? 212 TRP A N 1 ATOM 1551 C CA . TRP A 1 195 ? 54.357 5.499 16.794 1.00 13.61 ? 212 TRP A CA 1 ATOM 1552 C C . TRP A 1 195 ? 53.541 4.290 17.202 1.00 15.67 ? 212 TRP A C 1 ATOM 1553 O O . TRP A 1 195 ? 52.327 4.336 17.216 1.00 14.05 ? 212 TRP A O 1 ATOM 1554 C CB . TRP A 1 195 ? 54.428 6.468 17.979 1.00 15.50 ? 212 TRP A CB 1 ATOM 1555 C CG . TRP A 1 195 ? 53.192 7.272 18.148 1.00 15.12 ? 212 TRP A CG 1 ATOM 1556 C CD1 . TRP A 1 195 ? 52.060 6.917 18.818 1.00 16.56 ? 212 TRP A CD1 1 ATOM 1557 C CD2 . TRP A 1 195 ? 52.936 8.562 17.584 1.00 17.11 ? 212 TRP A CD2 1 ATOM 1558 N NE1 . TRP A 1 195 ? 51.117 7.898 18.704 1.00 18.78 ? 212 TRP A NE1 1 ATOM 1559 C CE2 . TRP A 1 195 ? 51.634 8.930 17.962 1.00 16.18 ? 212 TRP A CE2 1 ATOM 1560 C CE3 . TRP A 1 195 ? 53.684 9.435 16.801 1.00 17.93 ? 212 TRP A CE3 1 ATOM 1561 C CZ2 . TRP A 1 195 ? 51.056 10.134 17.568 1.00 19.68 ? 212 TRP A CZ2 1 ATOM 1562 C CZ3 . TRP A 1 195 ? 53.112 10.634 16.410 1.00 22.06 ? 212 TRP A CZ3 1 ATOM 1563 C CH2 . TRP A 1 195 ? 51.809 10.977 16.801 1.00 21.92 ? 212 TRP A CH2 1 ATOM 1564 N N . ARG A 1 196 ? 54.240 3.237 17.615 1.00 14.50 ? 213 ARG A N 1 ATOM 1565 C CA . ARG A 1 196 ? 53.597 2.075 18.206 1.00 13.61 ? 213 ARG A CA 1 ATOM 1566 C C . ARG A 1 196 ? 53.304 2.375 19.657 1.00 14.88 ? 213 ARG A C 1 ATOM 1567 O O . ARG A 1 196 ? 54.230 2.495 20.445 1.00 19.35 ? 213 ARG A O 1 ATOM 1568 C CB . ARG A 1 196 ? 54.477 0.845 18.057 1.00 15.96 ? 213 ARG A CB 1 ATOM 1569 C CG . ARG A 1 196 ? 54.450 0.202 16.651 1.00 14.26 ? 213 ARG A CG 1 ATOM 1570 C CD . ARG A 1 196 ? 53.238 -0.719 16.416 1.00 14.08 ? 213 ARG A CD 1 ATOM 1571 N NE . ARG A 1 196 ? 53.103 -1.569 17.587 1.00 13.27 ? 213 ARG A NE 1 ATOM 1572 C CZ . ARG A 1 196 ? 53.913 -2.573 17.897 1.00 12.94 ? 213 ARG A CZ 1 ATOM 1573 N NH1 . ARG A 1 196 ? 54.837 -2.997 17.057 1.00 13.74 ? 213 ARG A NH1 1 ATOM 1574 N NH2 . ARG A 1 196 ? 53.796 -3.161 19.062 1.00 13.61 ? 213 ARG A NH2 1 ATOM 1575 N N . ASN A 1 197 ? 52.014 2.499 19.962 1.00 16.40 ? 214 ASN A N 1 ATOM 1576 C CA . ASN A 1 197 ? 51.505 2.877 21.289 1.00 23.00 ? 214 ASN A CA 1 ATOM 1577 C C . ASN A 1 197 ? 51.505 1.712 22.277 1.00 17.06 ? 214 ASN A C 1 ATOM 1578 O O . ASN A 1 197 ? 51.540 1.911 23.493 1.00 17.14 ? 214 ASN A O 1 ATOM 1579 C CB . ASN A 1 197 ? 50.013 3.274 21.205 1.00 22.20 ? 214 ASN A CB 1 ATOM 1580 C CG . ASN A 1 197 ? 49.708 4.351 20.219 1.00 24.09 ? 214 ASN A CG 1 ATOM 1581 O OD1 . ASN A 1 197 ? 49.667 4.123 18.999 1.00 23.76 ? 214 ASN A OD1 1 ATOM 1582 N ND2 . ASN A 1 197 ? 49.379 5.540 20.743 1.00 18.54 ? 214 ASN A ND2 1 ATOM 1583 N N . TYR A 1 198 ? 51.339 0.507 21.758 1.00 15.25 ? 215 TYR A N 1 ATOM 1584 C CA . TYR A 1 198 ? 50.870 -0.609 22.572 1.00 15.05 ? 215 TYR A CA 1 ATOM 1585 C C . TYR A 1 198 ? 51.502 -1.951 22.143 1.00 14.69 ? 215 TYR A C 1 ATOM 1586 O O . TYR A 1 198 ? 52.457 -1.990 21.356 1.00 15.27 ? 215 TYR A O 1 ATOM 1587 C CB . TYR A 1 198 ? 49.324 -0.608 22.513 1.00 14.58 ? 215 TYR A CB 1 ATOM 1588 C CG . TYR A 1 198 ? 48.615 -1.491 23.502 1.00 15.50 ? 215 TYR A CG 1 ATOM 1589 C CD1 . TYR A 1 198 ? 48.865 -1.361 24.862 1.00 18.68 ? 215 TYR A CD1 1 ATOM 1590 C CD2 . TYR A 1 198 ? 47.739 -2.478 23.088 1.00 17.19 ? 215 TYR A CD2 1 ATOM 1591 C CE1 . TYR A 1 198 ? 48.232 -2.163 25.791 1.00 21.93 ? 215 TYR A CE1 1 ATOM 1592 C CE2 . TYR A 1 198 ? 47.090 -3.306 24.026 1.00 18.92 ? 215 TYR A CE2 1 ATOM 1593 C CZ . TYR A 1 198 ? 47.351 -3.138 25.359 1.00 25.18 ? 215 TYR A CZ 1 ATOM 1594 O OH . TYR A 1 198 ? 46.715 -3.953 26.270 1.00 28.70 ? 215 TYR A OH 1 ATOM 1595 N N . ASP A 1 199 ? 50.956 -3.037 22.683 1.00 14.79 ? 216 ASP A N 1 ATOM 1596 C CA . ASP A 1 199 ? 51.486 -4.377 22.527 1.00 15.17 ? 216 ASP A CA 1 ATOM 1597 C C . ASP A 1 199 ? 51.524 -4.857 21.080 1.00 13.80 ? 216 ASP A C 1 ATOM 1598 O O . ASP A 1 199 ? 50.666 -4.533 20.251 1.00 15.19 ? 216 ASP A O 1 ATOM 1599 C CB . ASP A 1 199 ? 50.612 -5.408 23.269 1.00 16.64 ? 216 ASP A CB 1 ATOM 1600 C CG . ASP A 1 199 ? 50.536 -5.219 24.787 1.00 30.06 ? 216 ASP A CG 1 ATOM 1601 O OD1 . ASP A 1 199 ? 51.359 -4.521 25.407 1.00 24.95 ? 216 ASP A OD1 1 ATOM 1602 O OD2 . ASP A 1 199 ? 49.607 -5.851 25.347 1.00 28.63 ? 216 ASP A OD2 1 ATOM 1603 N N . ASP A 1 200 ? 52.502 -5.721 20.808 1.00 13.52 ? 217 ASP A N 1 ATOM 1604 C CA . ASP A 1 200 ? 52.618 -6.366 19.520 1.00 13.30 ? 217 ASP A CA 1 ATOM 1605 C C . ASP A 1 200 ? 51.333 -7.126 19.221 1.00 11.41 ? 217 ASP A C 1 ATOM 1606 O O . ASP A 1 200 ? 50.839 -7.879 20.079 1.00 14.47 ? 217 ASP A O 1 ATOM 1607 C CB . ASP A 1 200 ? 53.748 -7.408 19.569 1.00 13.22 ? 217 ASP A CB 1 ATOM 1608 C CG . ASP A 1 200 ? 55.133 -6.811 19.663 1.00 12.14 ? 217 ASP A CG 1 ATOM 1609 O OD1 . ASP A 1 200 ? 55.285 -5.605 19.905 1.00 14.17 ? 217 ASP A OD1 1 ATOM 1610 O OD2 . ASP A 1 200 ? 56.089 -7.590 19.484 1.00 14.53 ? 217 ASP A OD2 1 ATOM 1611 N N . ILE A 1 201 ? 50.844 -6.994 17.997 1.00 11.21 ? 218 ILE A N 1 ATOM 1612 C CA . ILE A 1 201 ? 49.760 -7.834 17.560 1.00 13.05 ? 218 ILE A CA 1 ATOM 1613 C C . ILE A 1 201 ? 50.250 -9.257 17.332 1.00 13.29 ? 218 ILE A C 1 ATOM 1614 O O . ILE A 1 201 ? 51.391 -9.478 16.917 1.00 13.94 ? 218 ILE A O 1 ATOM 1615 C CB . ILE A 1 201 ? 49.090 -7.230 16.338 1.00 12.16 ? 218 ILE A CB 1 ATOM 1616 C CG1 . ILE A 1 201 ? 47.697 -7.839 16.122 1.00 14.04 ? 218 ILE A CG1 1 ATOM 1617 C CG2 . ILE A 1 201 ? 49.951 -7.370 15.046 1.00 14.56 ? 218 ILE A CG2 1 ATOM 1618 C CD1 . ILE A 1 201 ? 46.820 -6.959 15.229 1.00 13.79 ? 218 ILE A CD1 1 ATOM 1619 N N . GLN A 1 202 ? 49.386 -10.215 17.662 1.00 13.03 ? 219 GLN A N 1 ATOM 1620 C CA . GLN A 1 202 ? 49.603 -11.609 17.358 1.00 13.41 ? 219 GLN A CA 1 ATOM 1621 C C . GLN A 1 202 ? 48.450 -12.097 16.470 1.00 13.62 ? 219 GLN A C 1 ATOM 1622 O O . GLN A 1 202 ? 47.411 -11.442 16.386 1.00 13.74 ? 219 GLN A O 1 ATOM 1623 C CB . GLN A 1 202 ? 49.681 -12.438 18.631 1.00 13.92 ? 219 GLN A CB 1 ATOM 1624 C CG . GLN A 1 202 ? 50.671 -11.895 19.666 1.00 16.12 ? 219 GLN A CG 1 ATOM 1625 C CD . GLN A 1 202 ? 52.138 -11.943 19.223 1.00 20.86 ? 219 GLN A CD 1 ATOM 1626 O OE1 . GLN A 1 202 ? 52.523 -12.727 18.353 1.00 19.89 ? 219 GLN A OE1 1 ATOM 1627 N NE2 . GLN A 1 202 ? 52.960 -11.094 19.823 1.00 21.45 ? 219 GLN A NE2 1 ATOM 1628 N N . ASP A 1 203 ? 48.611 -13.279 15.865 1.00 13.80 ? 220 ASP A N 1 ATOM 1629 C CA . ASP A 1 203 ? 47.634 -13.777 14.869 1.00 14.19 ? 220 ASP A CA 1 ATOM 1630 C C . ASP A 1 203 ? 46.454 -14.451 15.604 1.00 12.65 ? 220 ASP A C 1 ATOM 1631 O O . ASP A 1 203 ? 46.308 -15.681 15.639 1.00 13.46 ? 220 ASP A O 1 ATOM 1632 C CB . ASP A 1 203 ? 48.318 -14.745 13.905 1.00 11.76 ? 220 ASP A CB 1 ATOM 1633 C CG . ASP A 1 203 ? 47.529 -15.007 12.669 1.00 15.77 ? 220 ASP A CG 1 ATOM 1634 O OD1 . ASP A 1 203 ? 46.419 -14.467 12.570 1.00 17.29 ? 220 ASP A OD1 1 ATOM 1635 O OD2 . ASP A 1 203 ? 48.051 -15.785 11.824 1.00 15.39 ? 220 ASP A OD2 1 ATOM 1636 N N . SER A 1 204 ? 45.660 -13.609 16.244 1.00 11.73 ? 221 SER A N 1 ATOM 1637 C CA . SER A 1 204 ? 44.482 -14.054 16.949 1.00 13.05 ? 221 SER A CA 1 ATOM 1638 C C . SER A 1 204 ? 43.487 -12.924 17.080 1.00 13.73 ? 221 SER A C 1 ATOM 1639 O O . SER A 1 204 ? 43.844 -11.743 17.142 1.00 12.78 ? 221 SER A O 1 ATOM 1640 C CB . SER A 1 204 ? 44.808 -14.567 18.353 1.00 13.69 ? 221 SER A CB 1 ATOM 1641 O OG . SER A 1 204 ? 45.132 -13.509 19.265 1.00 14.97 ? 221 SER A OG 1 ATOM 1642 N N . TRP A 1 205 ? 42.225 -13.309 17.165 1.00 12.93 ? 222 TRP A N 1 ATOM 1643 C CA . TRP A 1 205 ? 41.155 -12.334 17.377 1.00 13.42 ? 222 TRP A CA 1 ATOM 1644 C C . TRP A 1 205 ? 41.255 -11.724 18.770 1.00 14.56 ? 222 TRP A C 1 ATOM 1645 O O . TRP A 1 205 ? 41.015 -10.528 18.949 1.00 14.77 ? 222 TRP A O 1 ATOM 1646 C CB . TRP A 1 205 ? 39.800 -12.987 17.123 1.00 13.84 ? 222 TRP A CB 1 ATOM 1647 C CG . TRP A 1 205 ? 38.614 -12.078 17.259 1.00 13.77 ? 222 TRP A CG 1 ATOM 1648 C CD1 . TRP A 1 205 ? 37.546 -12.295 18.062 1.00 17.31 ? 222 TRP A CD1 1 ATOM 1649 C CD2 . TRP A 1 205 ? 38.337 -10.859 16.531 1.00 14.20 ? 222 TRP A CD2 1 ATOM 1650 N NE1 . TRP A 1 205 ? 36.605 -11.294 17.895 1.00 16.09 ? 222 TRP A NE1 1 ATOM 1651 C CE2 . TRP A 1 205 ? 37.068 -10.396 16.966 1.00 13.92 ? 222 TRP A CE2 1 ATOM 1652 C CE3 . TRP A 1 205 ? 39.019 -10.124 15.562 1.00 14.94 ? 222 TRP A CE3 1 ATOM 1653 C CZ2 . TRP A 1 205 ? 36.471 -9.237 16.443 1.00 18.66 ? 222 TRP A CZ2 1 ATOM 1654 C CZ3 . TRP A 1 205 ? 38.434 -8.981 15.049 1.00 16.66 ? 222 TRP A CZ3 1 ATOM 1655 C CH2 . TRP A 1 205 ? 37.174 -8.545 15.482 1.00 15.75 ? 222 TRP A CH2 1 ATOM 1656 N N . TRP A 1 206 ? 41.649 -12.529 19.755 1.00 12.69 ? 223 TRP A N 1 ATOM 1657 C CA . TRP A 1 206 ? 41.853 -12.010 21.096 1.00 13.29 ? 223 TRP A CA 1 ATOM 1658 C C . TRP A 1 206 ? 42.856 -10.842 21.063 1.00 15.56 ? 223 TRP A C 1 ATOM 1659 O O . TRP A 1 206 ? 42.684 -9.819 21.752 1.00 14.25 ? 223 TRP A O 1 ATOM 1660 C CB . TRP A 1 206 ? 42.339 -13.111 22.016 1.00 18.61 ? 223 TRP A CB 1 ATOM 1661 C CG . TRP A 1 206 ? 42.552 -12.645 23.417 1.00 18.42 ? 223 TRP A CG 1 ATOM 1662 C CD1 . TRP A 1 206 ? 41.668 -12.742 24.458 1.00 32.29 ? 223 TRP A CD1 1 ATOM 1663 C CD2 . TRP A 1 206 ? 43.721 -11.985 23.937 1.00 22.22 ? 223 TRP A CD2 1 ATOM 1664 N NE1 . TRP A 1 206 ? 42.217 -12.187 25.593 1.00 31.72 ? 223 TRP A NE1 1 ATOM 1665 C CE2 . TRP A 1 206 ? 43.469 -11.712 25.302 1.00 30.22 ? 223 TRP A CE2 1 ATOM 1666 C CE3 . TRP A 1 206 ? 44.949 -11.598 23.387 1.00 27.53 ? 223 TRP A CE3 1 ATOM 1667 C CZ2 . TRP A 1 206 ? 44.406 -11.068 26.125 1.00 46.46 ? 223 TRP A CZ2 1 ATOM 1668 C CZ3 . TRP A 1 206 ? 45.877 -10.940 24.203 1.00 36.84 ? 223 TRP A CZ3 1 ATOM 1669 C CH2 . TRP A 1 206 ? 45.598 -10.690 25.556 1.00 43.05 ? 223 TRP A CH2 1 ATOM 1670 N N . SER A 1 207 ? 43.892 -10.982 20.248 1.00 12.77 ? 224 SER A N 1 ATOM 1671 C CA . SER A 1 207 ? 44.871 -9.924 20.112 1.00 13.43 ? 224 SER A CA 1 ATOM 1672 C C . SER A 1 207 ? 44.281 -8.642 19.523 1.00 10.94 ? 224 SER A C 1 ATOM 1673 O O . SER A 1 207 ? 44.482 -7.547 20.084 1.00 13.91 ? 224 SER A O 1 ATOM 1674 C CB . SER A 1 207 ? 46.112 -10.403 19.358 1.00 14.69 ? 224 SER A CB 1 ATOM 1675 O OG . SER A 1 207 ? 47.036 -9.345 19.205 1.00 15.60 ? 224 SER A OG 1 ATOM 1676 N N . VAL A 1 208 ? 43.537 -8.754 18.418 1.00 13.29 ? 225 VAL A N 1 ATOM 1677 C CA . VAL A 1 208 ? 42.877 -7.596 17.840 1.00 14.26 ? 225 VAL A CA 1 ATOM 1678 C C . VAL A 1 208 ? 41.971 -6.924 18.871 1.00 13.71 ? 225 VAL A C 1 ATOM 1679 O O . VAL A 1 208 ? 42.011 -5.701 19.042 1.00 15.45 ? 225 VAL A O 1 ATOM 1680 C CB . VAL A 1 208 ? 42.067 -8.004 16.637 1.00 14.68 ? 225 VAL A CB 1 ATOM 1681 C CG1 . VAL A 1 208 ? 41.300 -6.792 16.051 1.00 15.02 ? 225 VAL A CG1 1 ATOM 1682 C CG2 . VAL A 1 208 ? 43.009 -8.655 15.577 1.00 15.77 ? 225 VAL A CG2 1 ATOM 1683 N N . LEU A 1 209 ? 41.170 -7.717 19.586 1.00 13.31 ? 226 LEU A N 1 ATOM 1684 C CA . LEU A 1 209 ? 40.274 -7.146 20.593 1.00 15.89 ? 226 LEU A CA 1 ATOM 1685 C C . LEU A 1 209 ? 41.021 -6.440 21.727 1.00 15.79 ? 226 LEU A C 1 ATOM 1686 O O . LEU A 1 209 ? 40.584 -5.382 22.200 1.00 17.48 ? 226 LEU A O 1 ATOM 1687 C CB . LEU A 1 209 ? 39.359 -8.230 21.187 1.00 16.04 ? 226 LEU A CB 1 ATOM 1688 C CG . LEU A 1 209 ? 38.304 -8.800 20.257 1.00 18.05 ? 226 LEU A CG 1 ATOM 1689 C CD1 . LEU A 1 209 ? 37.560 -9.915 21.055 1.00 17.75 ? 226 LEU A CD1 1 ATOM 1690 C CD2 . LEU A 1 209 ? 37.342 -7.721 19.736 1.00 21.04 ? 226 LEU A CD2 1 ATOM 1691 N N A SER A 1 210 ? 42.135 -7.022 22.165 0.50 13.51 ? 227 SER A N 1 ATOM 1692 N N B SER A 1 210 ? 42.133 -7.014 22.164 0.50 14.78 ? 227 SER A N 1 ATOM 1693 C CA A SER A 1 210 ? 42.971 -6.426 23.216 0.50 13.54 ? 227 SER A CA 1 ATOM 1694 C CA B SER A 1 210 ? 42.921 -6.408 23.232 0.50 16.84 ? 227 SER A CA 1 ATOM 1695 C C A SER A 1 210 ? 43.456 -5.044 22.813 0.50 16.63 ? 227 SER A C 1 ATOM 1696 C C B SER A 1 210 ? 43.435 -5.034 22.809 0.50 17.16 ? 227 SER A C 1 ATOM 1697 O O A SER A 1 210 ? 43.427 -4.099 23.610 0.50 16.87 ? 227 SER A O 1 ATOM 1698 O O B SER A 1 210 ? 43.376 -4.071 23.585 0.50 16.40 ? 227 SER A O 1 ATOM 1699 C CB A SER A 1 210 ? 44.180 -7.311 23.521 0.50 17.14 ? 227 SER A CB 1 ATOM 1700 C CB B SER A 1 210 ? 44.078 -7.315 23.649 0.50 21.06 ? 227 SER A CB 1 ATOM 1701 O OG A SER A 1 210 ? 45.073 -6.688 24.442 0.50 15.21 ? 227 SER A OG 1 ATOM 1702 O OG B SER A 1 210 ? 45.145 -7.276 22.719 0.50 23.08 ? 227 SER A OG 1 ATOM 1703 N N . ILE A 1 211 ? 43.925 -4.945 21.577 1.00 13.51 ? 228 ILE A N 1 ATOM 1704 C CA . ILE A 1 211 ? 44.411 -3.679 21.024 1.00 13.24 ? 228 ILE A CA 1 ATOM 1705 C C . ILE A 1 211 ? 43.261 -2.690 20.843 1.00 14.09 ? 228 ILE A C 1 ATOM 1706 O O . ILE A 1 211 ? 43.359 -1.523 21.252 1.00 14.28 ? 228 ILE A O 1 ATOM 1707 C CB . ILE A 1 211 ? 45.132 -3.928 19.678 1.00 14.63 ? 228 ILE A CB 1 ATOM 1708 C CG1 . ILE A 1 211 ? 46.418 -4.699 19.966 1.00 17.09 ? 228 ILE A CG1 1 ATOM 1709 C CG2 . ILE A 1 211 ? 45.417 -2.609 18.959 1.00 15.92 ? 228 ILE A CG2 1 ATOM 1710 C CD1 . ILE A 1 211 ? 47.085 -5.349 18.734 1.00 15.30 ? 228 ILE A CD1 1 ATOM 1711 N N A LEU A 1 212 ? 42.169 -3.140 20.232 0.50 14.47 ? 229 LEU A N 1 ATOM 1712 N N B LEU A 1 212 ? 42.165 -3.125 20.220 0.50 14.64 ? 229 LEU A N 1 ATOM 1713 C CA A LEU A 1 212 ? 41.010 -2.282 20.032 0.50 15.09 ? 229 LEU A CA 1 ATOM 1714 C CA B LEU A 1 212 ? 40.999 -2.255 20.066 0.50 15.53 ? 229 LEU A CA 1 ATOM 1715 C C A LEU A 1 212 ? 40.473 -1.744 21.353 0.50 12.77 ? 229 LEU A C 1 ATOM 1716 C C B LEU A 1 212 ? 40.556 -1.706 21.397 0.50 19.67 ? 229 LEU A C 1 ATOM 1717 O O A LEU A 1 212 ? 40.108 -0.567 21.438 0.50 15.26 ? 229 LEU A O 1 ATOM 1718 O O B LEU A 1 212 ? 40.323 -0.500 21.528 0.50 20.35 ? 229 LEU A O 1 ATOM 1719 C CB A LEU A 1 212 ? 39.903 -3.027 19.287 0.50 18.00 ? 229 LEU A CB 1 ATOM 1720 C CB B LEU A 1 212 ? 39.811 -2.989 19.459 0.50 14.44 ? 229 LEU A CB 1 ATOM 1721 C CG A LEU A 1 212 ? 38.645 -2.236 18.942 0.50 18.48 ? 229 LEU A CG 1 ATOM 1722 C CG B LEU A 1 212 ? 39.863 -3.247 17.961 0.50 16.88 ? 229 LEU A CG 1 ATOM 1723 C CD1 A LEU A 1 212 ? 38.898 -1.204 17.826 0.50 14.22 ? 229 LEU A CD1 1 ATOM 1724 C CD1 B LEU A 1 212 ? 38.787 -4.254 17.619 0.50 17.41 ? 229 LEU A CD1 1 ATOM 1725 C CD2 A LEU A 1 212 ? 37.542 -3.215 18.530 0.50 14.10 ? 229 LEU A CD2 1 ATOM 1726 C CD2 B LEU A 1 212 ? 39.714 -1.935 17.165 0.50 14.84 ? 229 LEU A CD2 1 ATOM 1727 N N . ASN A 1 213 ? 40.455 -2.595 22.385 1.00 14.24 ? 230 ASN A N 1 ATOM 1728 C CA . ASN A 1 213 ? 39.996 -2.205 23.735 1.00 18.00 ? 230 ASN A CA 1 ATOM 1729 C C . ASN A 1 213 ? 40.869 -1.121 24.353 1.00 18.67 ? 230 ASN A C 1 ATOM 1730 O O . ASN A 1 213 ? 40.361 -0.156 24.922 1.00 18.39 ? 230 ASN A O 1 ATOM 1731 C CB . ASN A 1 213 ? 40.003 -3.401 24.685 1.00 19.61 ? 230 ASN A CB 1 ATOM 1732 C CG . ASN A 1 213 ? 39.500 -3.053 26.073 1.00 37.83 ? 230 ASN A CG 1 ATOM 1733 O OD1 . ASN A 1 213 ? 38.341 -2.663 26.251 1.00 40.89 ? 230 ASN A OD1 1 ATOM 1734 N ND2 . ASN A 1 213 ? 40.371 -3.197 27.069 1.00 38.02 ? 230 ASN A ND2 1 ATOM 1735 N N . TRP A 1 214 ? 42.188 -1.268 24.218 1.00 16.49 ? 231 TRP A N 1 ATOM 1736 C CA . TRP A 1 214 ? 43.104 -0.298 24.803 1.00 16.14 ? 231 TRP A CA 1 ATOM 1737 C C . TRP A 1 214 ? 42.963 1.027 24.081 1.00 19.09 ? 231 TRP A C 1 ATOM 1738 O O . TRP A 1 214 ? 42.876 2.084 24.710 1.00 17.48 ? 231 TRP A O 1 ATOM 1739 C CB . TRP A 1 214 ? 44.524 -0.814 24.726 1.00 19.58 ? 231 TRP A CB 1 ATOM 1740 C CG . TRP A 1 214 ? 45.507 0.006 25.481 1.00 16.87 ? 231 TRP A CG 1 ATOM 1741 C CD1 . TRP A 1 214 ? 45.861 -0.112 26.790 1.00 23.27 ? 231 TRP A CD1 1 ATOM 1742 C CD2 . TRP A 1 214 ? 46.300 1.065 24.935 1.00 17.58 ? 231 TRP A CD2 1 ATOM 1743 N NE1 . TRP A 1 214 ? 46.823 0.820 27.098 1.00 18.97 ? 231 TRP A NE1 1 ATOM 1744 C CE2 . TRP A 1 214 ? 47.116 1.550 25.973 1.00 20.30 ? 231 TRP A CE2 1 ATOM 1745 C CE3 . TRP A 1 214 ? 46.385 1.657 23.667 1.00 18.13 ? 231 TRP A CE3 1 ATOM 1746 C CZ2 . TRP A 1 214 ? 48.018 2.606 25.786 1.00 19.34 ? 231 TRP A CZ2 1 ATOM 1747 C CZ3 . TRP A 1 214 ? 47.276 2.699 23.479 1.00 20.33 ? 231 TRP A CZ3 1 ATOM 1748 C CH2 . TRP A 1 214 ? 48.091 3.157 24.532 1.00 19.18 ? 231 TRP A CH2 1 ATOM 1749 N N . PHE A 1 215 ? 42.897 0.978 22.755 1.00 16.80 ? 232 PHE A N 1 ATOM 1750 C CA . PHE A 1 215 ? 42.680 2.205 21.972 1.00 16.78 ? 232 PHE A CA 1 ATOM 1751 C C . PHE A 1 215 ? 41.363 2.910 22.304 1.00 21.52 ? 232 PHE A C 1 ATOM 1752 O O . PHE A 1 215 ? 41.330 4.146 22.423 1.00 22.26 ? 232 PHE A O 1 ATOM 1753 C CB . PHE A 1 215 ? 42.811 1.938 20.480 1.00 17.70 ? 232 PHE A CB 1 ATOM 1754 C CG . PHE A 1 215 ? 44.210 2.054 19.986 1.00 17.25 ? 232 PHE A CG 1 ATOM 1755 C CD1 . PHE A 1 215 ? 44.615 3.182 19.280 1.00 33.56 ? 232 PHE A CD1 1 ATOM 1756 C CD2 . PHE A 1 215 ? 45.144 1.065 20.236 1.00 17.48 ? 232 PHE A CD2 1 ATOM 1757 C CE1 . PHE A 1 215 ? 45.924 3.299 18.825 1.00 26.93 ? 232 PHE A CE1 1 ATOM 1758 C CE2 . PHE A 1 215 ? 46.451 1.190 19.797 1.00 22.43 ? 232 PHE A CE2 1 ATOM 1759 C CZ . PHE A 1 215 ? 46.842 2.313 19.102 1.00 25.68 ? 232 PHE A CZ 1 ATOM 1760 N N . VAL A 1 216 ? 40.293 2.151 22.497 1.00 17.70 ? 233 VAL A N 1 ATOM 1761 C CA . VAL A 1 216 ? 39.003 2.759 22.822 1.00 18.28 ? 233 VAL A CA 1 ATOM 1762 C C . VAL A 1 216 ? 38.970 3.291 24.245 1.00 20.47 ? 233 VAL A C 1 ATOM 1763 O O . VAL A 1 216 ? 38.430 4.370 24.476 1.00 24.11 ? 233 VAL A O 1 ATOM 1764 C CB . VAL A 1 216 ? 37.817 1.798 22.578 1.00 23.37 ? 233 VAL A CB 1 ATOM 1765 C CG1 . VAL A 1 216 ? 36.528 2.428 22.997 1.00 27.06 ? 233 VAL A CG1 1 ATOM 1766 C CG2 . VAL A 1 216 ? 37.736 1.482 21.102 1.00 28.86 ? 233 VAL A CG2 1 ATOM 1767 N N . GLU A 1 217 ? 39.533 2.543 25.190 1.00 18.72 ? 234 GLU A N 1 ATOM 1768 C CA . GLU A 1 217 ? 39.610 2.982 26.585 1.00 21.29 ? 234 GLU A CA 1 ATOM 1769 C C . GLU A 1 217 ? 40.332 4.319 26.705 1.00 21.15 ? 234 GLU A C 1 ATOM 1770 O O . GLU A 1 217 ? 40.009 5.124 27.583 1.00 23.52 ? 234 GLU A O 1 ATOM 1771 C CB . GLU A 1 217 ? 40.363 1.978 27.453 1.00 25.52 ? 234 GLU A CB 1 ATOM 1772 C CG . GLU A 1 217 ? 39.598 0.717 27.817 1.00 38.57 ? 234 GLU A CG 1 ATOM 1773 C CD . GLU A 1 217 ? 40.482 -0.296 28.553 1.00 53.59 ? 234 GLU A CD 1 ATOM 1774 O OE1 . GLU A 1 217 ? 41.734 -0.168 28.501 1.00 45.88 ? 234 GLU A OE1 1 ATOM 1775 O OE2 . GLU A 1 217 ? 39.922 -1.225 29.178 1.00 61.80 ? 234 GLU A OE2 1 ATOM 1776 N N . HIS A 1 218 ? 41.312 4.550 25.831 1.00 17.39 ? 235 HIS A N 1 ATOM 1777 C CA . HIS A 1 218 ? 42.136 5.747 25.911 1.00 17.76 ? 235 HIS A CA 1 ATOM 1778 C C . HIS A 1 218 ? 41.937 6.706 24.755 1.00 18.19 ? 235 HIS A C 1 ATOM 1779 O O . HIS A 1 218 ? 42.774 7.574 24.524 1.00 18.93 ? 235 HIS A O 1 ATOM 1780 C CB . HIS A 1 218 ? 43.617 5.353 26.069 1.00 19.35 ? 235 HIS A CB 1 ATOM 1781 C CG . HIS A 1 218 ? 43.848 4.381 27.177 1.00 18.37 ? 235 HIS A CG 1 ATOM 1782 N ND1 . HIS A 1 218 ? 43.847 4.750 28.508 1.00 23.94 ? 235 HIS A ND1 1 ATOM 1783 C CD2 . HIS A 1 218 ? 44.073 3.050 27.157 1.00 17.69 ? 235 HIS A CD2 1 ATOM 1784 C CE1 . HIS A 1 218 ? 44.065 3.680 29.254 1.00 20.66 ? 235 HIS A CE1 1 ATOM 1785 N NE2 . HIS A 1 218 ? 44.207 2.637 28.458 1.00 22.08 ? 235 HIS A NE2 1 ATOM 1786 N N . GLN A 1 219 ? 40.806 6.597 24.049 1.00 17.70 ? 236 GLN A N 1 ATOM 1787 C CA . GLN A 1 219 ? 40.586 7.414 22.864 1.00 17.75 ? 236 GLN A CA 1 ATOM 1788 C C . GLN A 1 219 ? 40.515 8.924 23.143 1.00 17.72 ? 236 GLN A C 1 ATOM 1789 O O . GLN A 1 219 ? 40.877 9.718 22.282 1.00 19.37 ? 236 GLN A O 1 ATOM 1790 C CB . GLN A 1 219 ? 39.368 6.947 22.065 1.00 18.94 ? 236 GLN A CB 1 ATOM 1791 C CG . GLN A 1 219 ? 38.041 7.156 22.745 1.00 19.54 ? 236 GLN A CG 1 ATOM 1792 C CD . GLN A 1 219 ? 36.880 6.606 21.943 1.00 21.66 ? 236 GLN A CD 1 ATOM 1793 O OE1 . GLN A 1 219 ? 37.079 5.949 20.918 1.00 21.71 ? 236 GLN A OE1 1 ATOM 1794 N NE2 . GLN A 1 219 ? 35.669 6.879 22.399 1.00 20.64 ? 236 GLN A NE2 1 ATOM 1795 N N . ASP A 1 220 ? 40.070 9.336 24.331 1.00 19.67 ? 237 ASP A N 1 ATOM 1796 C CA . ASP A 1 220 ? 40.092 10.774 24.633 1.00 20.15 ? 237 ASP A CA 1 ATOM 1797 C C . ASP A 1 220 ? 41.517 11.360 24.553 1.00 22.19 ? 237 ASP A C 1 ATOM 1798 O O . ASP A 1 220 ? 41.690 12.536 24.217 1.00 23.35 ? 237 ASP A O 1 ATOM 1799 C CB . ASP A 1 220 ? 39.504 11.058 26.016 1.00 22.51 ? 237 ASP A CB 1 ATOM 1800 C CG . ASP A 1 220 ? 38.006 10.812 26.089 1.00 30.46 ? 237 ASP A CG 1 ATOM 1801 O OD1 . ASP A 1 220 ? 37.352 10.620 25.032 1.00 30.11 ? 237 ASP A OD1 1 ATOM 1802 O OD2 . ASP A 1 220 ? 37.476 10.821 27.225 1.00 33.86 ? 237 ASP A OD2 1 ATOM 1803 N N . ILE A 1 221 ? 42.529 10.548 24.878 1.00 20.46 ? 238 ILE A N 1 ATOM 1804 C CA . ILE A 1 221 ? 43.930 10.976 24.792 1.00 20.44 ? 238 ILE A CA 1 ATOM 1805 C C . ILE A 1 221 ? 44.493 10.759 23.372 1.00 21.92 ? 238 ILE A C 1 ATOM 1806 O O . ILE A 1 221 ? 45.201 11.623 22.831 1.00 21.78 ? 238 ILE A O 1 ATOM 1807 C CB . ILE A 1 221 ? 44.814 10.191 25.796 1.00 25.97 ? 238 ILE A CB 1 ATOM 1808 C CG1 . ILE A 1 221 ? 44.389 10.462 27.242 1.00 36.76 ? 238 ILE A CG1 1 ATOM 1809 C CG2 . ILE A 1 221 ? 46.299 10.525 25.601 1.00 32.43 ? 238 ILE A CG2 1 ATOM 1810 C CD1 . ILE A 1 221 ? 44.387 11.934 27.643 1.00 25.53 ? 238 ILE A CD1 1 ATOM 1811 N N . LEU A 1 222 ? 44.172 9.611 22.772 1.00 17.98 ? 239 LEU A N 1 ATOM 1812 C CA . LEU A 1 222 ? 44.825 9.191 21.531 1.00 18.84 ? 239 LEU A CA 1 ATOM 1813 C C . LEU A 1 222 ? 44.208 9.822 20.290 1.00 20.11 ? 239 LEU A C 1 ATOM 1814 O O . LEU A 1 222 ? 44.914 10.146 19.333 1.00 19.30 ? 239 LEU A O 1 ATOM 1815 C CB . LEU A 1 222 ? 44.816 7.655 21.410 1.00 18.08 ? 239 LEU A CB 1 ATOM 1816 C CG . LEU A 1 222 ? 45.488 6.908 22.580 1.00 18.99 ? 239 LEU A CG 1 ATOM 1817 C CD1 . LEU A 1 222 ? 45.377 5.412 22.379 1.00 23.50 ? 239 LEU A CD1 1 ATOM 1818 C CD2 . LEU A 1 222 ? 46.952 7.322 22.745 1.00 24.89 ? 239 LEU A CD2 1 ATOM 1819 N N . GLN A 1 223 ? 42.892 10.003 20.287 1.00 19.48 ? 240 GLN A N 1 ATOM 1820 C CA . GLN A 1 223 ? 42.240 10.501 19.077 1.00 20.50 ? 240 GLN A CA 1 ATOM 1821 C C . GLN A 1 223 ? 42.739 11.870 18.623 1.00 21.09 ? 240 GLN A C 1 ATOM 1822 O O . GLN A 1 223 ? 42.976 12.062 17.430 1.00 21.97 ? 240 GLN A O 1 ATOM 1823 C CB . GLN A 1 223 ? 40.724 10.471 19.213 1.00 20.51 ? 240 GLN A CB 1 ATOM 1824 C CG . GLN A 1 223 ? 39.966 10.921 17.966 1.00 20.28 ? 240 GLN A CG 1 ATOM 1825 C CD . GLN A 1 223 ? 39.943 12.412 17.747 1.00 21.26 ? 240 GLN A CD 1 ATOM 1826 O OE1 . GLN A 1 223 ? 39.941 13.195 18.706 1.00 23.32 ? 240 GLN A OE1 1 ATOM 1827 N NE2 . GLN A 1 223 ? 39.876 12.828 16.476 1.00 20.05 ? 240 GLN A NE2 1 ATOM 1828 N N . PRO A 1 224 ? 42.884 12.840 19.557 1.00 20.81 ? 241 PRO A N 1 ATOM 1829 C CA . PRO A 1 224 ? 43.255 14.178 19.125 1.00 20.29 ? 241 PRO A CA 1 ATOM 1830 C C . PRO A 1 224 ? 44.666 14.322 18.576 1.00 20.99 ? 241 PRO A C 1 ATOM 1831 O O . PRO A 1 224 ? 44.924 15.264 17.828 1.00 22.65 ? 241 PRO A O 1 ATOM 1832 C CB . PRO A 1 224 ? 43.129 15.020 20.410 1.00 24.05 ? 241 PRO A CB 1 ATOM 1833 C CG . PRO A 1 224 ? 42.234 14.245 21.289 1.00 26.77 ? 241 PRO A CG 1 ATOM 1834 C CD . PRO A 1 224 ? 42.452 12.817 20.968 1.00 22.57 ? 241 PRO A CD 1 ATOM 1835 N N . VAL A 1 225 ? 45.572 13.423 18.969 1.00 21.81 ? 242 VAL A N 1 ATOM 1836 C CA . VAL A 1 225 ? 46.984 13.568 18.617 1.00 20.47 ? 242 VAL A CA 1 ATOM 1837 C C . VAL A 1 225 ? 47.309 13.108 17.196 1.00 20.55 ? 242 VAL A C 1 ATOM 1838 O O . VAL A 1 225 ? 48.338 13.492 16.652 1.00 23.78 ? 242 VAL A O 1 ATOM 1839 C CB . VAL A 1 225 ? 47.913 12.867 19.657 1.00 24.18 ? 242 VAL A CB 1 ATOM 1840 C CG1 . VAL A 1 225 ? 47.679 13.462 21.057 1.00 33.15 ? 242 VAL A CG1 1 ATOM 1841 C CG2 . VAL A 1 225 ? 47.728 11.365 19.663 1.00 25.98 ? 242 VAL A CG2 1 ATOM 1842 N N . ALA A 1 226 ? 46.438 12.295 16.600 1.00 20.40 ? 243 ALA A N 1 ATOM 1843 C CA . ALA A 1 226 ? 46.638 11.817 15.238 1.00 17.24 ? 243 ALA A CA 1 ATOM 1844 C C . ALA A 1 226 ? 46.265 12.859 14.193 1.00 19.96 ? 243 ALA A C 1 ATOM 1845 O O . ALA A 1 226 ? 45.288 13.597 14.351 1.00 20.34 ? 243 ALA A O 1 ATOM 1846 C CB . ALA A 1 226 ? 45.830 10.529 15.018 1.00 18.61 ? 243 ALA A CB 1 ATOM 1847 N N . GLY A 1 227 ? 47.056 12.930 13.133 1.00 18.61 ? 244 GLY A N 1 ATOM 1848 C CA . GLY A 1 227 ? 46.715 13.751 11.986 1.00 20.05 ? 244 GLY A CA 1 ATOM 1849 C C . GLY A 1 227 ? 47.800 13.633 10.947 1.00 19.46 ? 244 GLY A C 1 ATOM 1850 O O . GLY A 1 227 ? 48.776 12.890 11.154 1.00 19.24 ? 244 GLY A O 1 ATOM 1851 N N . PRO A 1 228 ? 47.634 14.338 9.823 1.00 19.80 ? 245 PRO A N 1 ATOM 1852 C CA . PRO A 1 228 ? 48.596 14.301 8.735 1.00 20.44 ? 245 PRO A CA 1 ATOM 1853 C C . PRO A 1 228 ? 50.021 14.459 9.241 1.00 18.74 ? 245 PRO A C 1 ATOM 1854 O O . PRO A 1 228 ? 50.329 15.437 9.927 1.00 21.45 ? 245 PRO A O 1 ATOM 1855 C CB . PRO A 1 228 ? 48.167 15.471 7.865 1.00 22.79 ? 245 PRO A CB 1 ATOM 1856 C CG . PRO A 1 228 ? 46.690 15.510 8.052 1.00 22.36 ? 245 PRO A CG 1 ATOM 1857 C CD . PRO A 1 228 ? 46.515 15.249 9.513 1.00 23.99 ? 245 PRO A CD 1 ATOM 1858 N N . GLY A 1 229 ? 50.847 13.474 8.932 1.00 18.68 ? 246 GLY A N 1 ATOM 1859 C CA . GLY A 1 229 ? 52.246 13.451 9.340 1.00 19.30 ? 246 GLY A CA 1 ATOM 1860 C C . GLY A 1 229 ? 52.570 12.877 10.701 1.00 20.27 ? 246 GLY A C 1 ATOM 1861 O O . GLY A 1 229 ? 53.738 12.791 11.065 1.00 17.95 ? 246 GLY A O 1 ATOM 1862 N N . HIS A 1 230 ? 51.551 12.489 11.461 1.00 19.19 ? 247 HIS A N 1 ATOM 1863 C CA . HIS A 1 230 ? 51.772 11.966 12.801 1.00 16.94 ? 247 HIS A CA 1 ATOM 1864 C C . HIS A 1 230 ? 50.610 11.076 13.269 1.00 17.26 ? 247 HIS A C 1 ATOM 1865 O O . HIS A 1 230 ? 49.591 11.559 13.761 1.00 17.49 ? 247 HIS A O 1 ATOM 1866 C CB . HIS A 1 230 ? 52.082 13.111 13.786 1.00 19.47 ? 247 HIS A CB 1 ATOM 1867 C CG . HIS A 1 230 ? 51.059 14.202 13.818 1.00 19.65 ? 247 HIS A CG 1 ATOM 1868 N ND1 . HIS A 1 230 ? 51.255 15.429 13.221 1.00 32.69 ? 247 HIS A ND1 1 ATOM 1869 C CD2 . HIS A 1 230 ? 49.858 14.275 14.435 1.00 16.91 ? 247 HIS A CD2 1 ATOM 1870 C CE1 . HIS A 1 230 ? 50.187 16.186 13.416 1.00 23.82 ? 247 HIS A CE1 1 ATOM 1871 N NE2 . HIS A 1 230 ? 49.325 15.509 14.150 1.00 27.22 ? 247 HIS A NE2 1 ATOM 1872 N N . TRP A 1 231 ? 50.795 9.764 13.126 1.00 15.83 ? 248 TRP A N 1 ATOM 1873 C CA . TRP A 1 231 ? 49.741 8.771 13.352 1.00 16.19 ? 248 TRP A CA 1 ATOM 1874 C C . TRP A 1 231 ? 49.948 7.875 14.572 1.00 15.75 ? 248 TRP A C 1 ATOM 1875 O O . TRP A 1 231 ? 51.073 7.521 14.928 1.00 15.73 ? 248 TRP A O 1 ATOM 1876 C CB . TRP A 1 231 ? 49.607 7.846 12.127 1.00 15.18 ? 248 TRP A CB 1 ATOM 1877 C CG . TRP A 1 231 ? 49.542 8.604 10.851 1.00 15.11 ? 248 TRP A CG 1 ATOM 1878 C CD1 . TRP A 1 231 ? 50.560 8.810 9.972 1.00 15.37 ? 248 TRP A CD1 1 ATOM 1879 C CD2 . TRP A 1 231 ? 48.421 9.352 10.349 1.00 14.98 ? 248 TRP A CD2 1 ATOM 1880 N NE1 . TRP A 1 231 ? 50.139 9.612 8.945 1.00 17.05 ? 248 TRP A NE1 1 ATOM 1881 C CE2 . TRP A 1 231 ? 48.837 9.972 9.154 1.00 15.56 ? 248 TRP A CE2 1 ATOM 1882 C CE3 . TRP A 1 231 ? 47.110 9.558 10.794 1.00 15.58 ? 248 TRP A CE3 1 ATOM 1883 C CZ2 . TRP A 1 231 ? 47.987 10.758 8.383 1.00 18.62 ? 248 TRP A CZ2 1 ATOM 1884 C CZ3 . TRP A 1 231 ? 46.268 10.361 10.040 1.00 19.30 ? 248 TRP A CZ3 1 ATOM 1885 C CH2 . TRP A 1 231 ? 46.710 10.949 8.839 1.00 17.68 ? 248 TRP A CH2 1 ATOM 1886 N N . ASN A 1 232 ? 48.838 7.478 15.194 1.00 15.33 ? 249 ASN A N 1 ATOM 1887 C CA . ASN A 1 232 ? 48.876 6.342 16.109 1.00 14.97 ? 249 ASN A CA 1 ATOM 1888 C C . ASN A 1 232 ? 48.986 5.057 15.277 1.00 16.51 ? 249 ASN A C 1 ATOM 1889 O O . ASN A 1 232 ? 48.415 4.952 14.201 1.00 16.07 ? 249 ASN A O 1 ATOM 1890 C CB . ASN A 1 232 ? 47.606 6.254 16.967 1.00 15.83 ? 249 ASN A CB 1 ATOM 1891 C CG . ASN A 1 232 ? 47.475 7.384 17.973 1.00 16.52 ? 249 ASN A CG 1 ATOM 1892 O OD1 . ASN A 1 232 ? 48.334 7.578 18.867 1.00 19.42 ? 249 ASN A OD1 1 ATOM 1893 N ND2 . ASN A 1 232 ? 46.379 8.144 17.851 1.00 17.47 ? 249 ASN A ND2 1 ATOM 1894 N N . ASP A 1 233 ? 49.672 4.063 15.810 1.00 14.99 ? 250 ASP A N 1 ATOM 1895 C CA . ASP A 1 233 ? 49.908 2.800 15.081 1.00 13.20 ? 250 ASP A CA 1 ATOM 1896 C C . ASP A 1 233 ? 49.531 1.629 15.987 1.00 13.85 ? 250 ASP A C 1 ATOM 1897 O O . ASP A 1 233 ? 50.301 1.246 16.889 1.00 14.20 ? 250 ASP A O 1 ATOM 1898 C CB . ASP A 1 233 ? 51.378 2.717 14.671 1.00 15.14 ? 250 ASP A CB 1 ATOM 1899 C CG . ASP A 1 233 ? 51.723 1.472 13.896 1.00 15.56 ? 250 ASP A CG 1 ATOM 1900 O OD1 . ASP A 1 233 ? 50.825 0.651 13.590 1.00 14.86 ? 250 ASP A OD1 1 ATOM 1901 O OD2 . ASP A 1 233 ? 52.953 1.324 13.626 1.00 16.36 ? 250 ASP A OD2 1 ATOM 1902 N N . PRO A 1 234 ? 48.335 1.055 15.766 1.00 13.44 ? 251 PRO A N 1 ATOM 1903 C CA . PRO A 1 234 ? 47.885 -0.130 16.518 1.00 13.37 ? 251 PRO A CA 1 ATOM 1904 C C . PRO A 1 234 ? 48.467 -1.473 16.033 1.00 14.19 ? 251 PRO A C 1 ATOM 1905 O O . PRO A 1 234 ? 48.084 -2.531 16.549 1.00 15.29 ? 251 PRO A O 1 ATOM 1906 C CB . PRO A 1 234 ? 46.373 -0.086 16.365 1.00 14.59 ? 251 PRO A CB 1 ATOM 1907 C CG . PRO A 1 234 ? 46.124 0.655 15.115 1.00 18.21 ? 251 PRO A CG 1 ATOM 1908 C CD . PRO A 1 234 ? 47.315 1.507 14.801 1.00 14.76 ? 251 PRO A CD 1 ATOM 1909 N N . ASP A 1 235 ? 49.399 -1.392 15.081 1.00 13.70 ? 252 ASP A N 1 ATOM 1910 C CA . ASP A 1 235 ? 50.230 -2.496 14.602 1.00 12.33 ? 252 ASP A CA 1 ATOM 1911 C C . ASP A 1 235 ? 49.621 -3.121 13.348 1.00 13.53 ? 252 ASP A C 1 ATOM 1912 O O . ASP A 1 235 ? 48.635 -2.631 12.806 1.00 14.14 ? 252 ASP A O 1 ATOM 1913 C CB . ASP A 1 235 ? 50.544 -3.494 15.730 1.00 12.53 ? 252 ASP A CB 1 ATOM 1914 C CG . ASP A 1 235 ? 51.889 -4.221 15.543 1.00 17.83 ? 252 ASP A CG 1 ATOM 1915 O OD1 . ASP A 1 235 ? 52.601 -3.994 14.528 1.00 15.12 ? 252 ASP A OD1 1 ATOM 1916 O OD2 . ASP A 1 235 ? 52.213 -5.031 16.422 1.00 13.71 ? 252 ASP A OD2 1 ATOM 1917 N N . MET A 1 236 ? 50.268 -4.168 12.855 1.00 12.48 ? 253 MET A N 1 ATOM 1918 C CA . MET A 1 236 ? 50.034 -4.698 11.524 1.00 10.48 ? 253 MET A CA 1 ATOM 1919 C C . MET A 1 236 ? 48.663 -5.326 11.345 1.00 14.82 ? 253 MET A C 1 ATOM 1920 O O . MET A 1 236 ? 48.039 -5.805 12.304 1.00 14.18 ? 253 MET A O 1 ATOM 1921 C CB . MET A 1 236 ? 51.102 -5.765 11.260 1.00 11.73 ? 253 MET A CB 1 ATOM 1922 C CG . MET A 1 236 ? 52.492 -5.207 11.027 1.00 13.82 ? 253 MET A CG 1 ATOM 1923 S SD . MET A 1 236 ? 53.819 -6.431 11.227 1.00 13.47 ? 253 MET A SD 1 ATOM 1924 C CE . MET A 1 236 ? 53.964 -6.570 13.009 1.00 14.21 ? 253 MET A CE 1 ATOM 1925 N N . LEU A 1 237 ? 48.220 -5.319 10.101 1.00 13.33 ? 254 LEU A N 1 ATOM 1926 C CA . LEU A 1 237 ? 47.035 -6.074 9.696 1.00 12.65 ? 254 LEU A CA 1 ATOM 1927 C C . LEU A 1 237 ? 47.341 -7.565 9.683 1.00 14.75 ? 254 LEU A C 1 ATOM 1928 O O . LEU A 1 237 ? 48.407 -7.980 9.221 1.00 12.78 ? 254 LEU A O 1 ATOM 1929 C CB . LEU A 1 237 ? 46.588 -5.635 8.311 1.00 13.78 ? 254 LEU A CB 1 ATOM 1930 C CG . LEU A 1 237 ? 46.161 -4.181 8.253 1.00 12.89 ? 254 LEU A CG 1 ATOM 1931 C CD1 . LEU A 1 237 ? 46.034 -3.793 6.797 1.00 13.76 ? 254 LEU A CD1 1 ATOM 1932 C CD2 . LEU A 1 237 ? 44.858 -3.972 9.017 1.00 14.76 ? 254 LEU A CD2 1 ATOM 1933 N N . LEU A 1 238 ? 46.388 -8.377 10.145 1.00 14.60 ? 255 LEU A N 1 ATOM 1934 C CA . LEU A 1 238 ? 46.510 -9.844 10.168 1.00 14.69 ? 255 LEU A CA 1 ATOM 1935 C C . LEU A 1 238 ? 45.850 -10.553 8.967 1.00 14.57 ? 255 LEU A C 1 ATOM 1936 O O . LEU A 1 238 ? 45.903 -11.799 8.854 1.00 13.79 ? 255 LEU A O 1 ATOM 1937 C CB . LEU A 1 238 ? 45.867 -10.381 11.449 1.00 11.58 ? 255 LEU A CB 1 ATOM 1938 C CG . LEU A 1 238 ? 46.519 -9.957 12.760 1.00 11.46 ? 255 LEU A CG 1 ATOM 1939 C CD1 . LEU A 1 238 ? 45.653 -10.511 13.891 1.00 12.68 ? 255 LEU A CD1 1 ATOM 1940 C CD2 . LEU A 1 238 ? 47.957 -10.431 12.868 1.00 13.91 ? 255 LEU A CD2 1 ATOM 1941 N N . ILE A 1 239 ? 45.192 -9.778 8.110 1.00 12.70 ? 256 ILE A N 1 ATOM 1942 C CA . ILE A 1 239 ? 44.413 -10.270 6.996 1.00 13.08 ? 256 ILE A CA 1 ATOM 1943 C C . ILE A 1 239 ? 45.331 -11.051 6.047 1.00 13.06 ? 256 ILE A C 1 ATOM 1944 O O . ILE A 1 239 ? 46.386 -10.558 5.647 1.00 14.24 ? 256 ILE A O 1 ATOM 1945 C CB . ILE A 1 239 ? 43.718 -9.099 6.282 1.00 12.77 ? 256 ILE A CB 1 ATOM 1946 C CG1 . ILE A 1 239 ? 42.753 -8.391 7.253 1.00 17.03 ? 256 ILE A CG1 1 ATOM 1947 C CG2 . ILE A 1 239 ? 42.965 -9.589 5.035 1.00 14.04 ? 256 ILE A CG2 1 ATOM 1948 C CD1 . ILE A 1 239 ? 42.594 -6.928 7.001 1.00 18.85 ? 256 ILE A CD1 1 ATOM 1949 N N . GLY A 1 240 ? 44.917 -12.274 5.727 1.00 13.10 ? 257 GLY A N 1 ATOM 1950 C CA . GLY A 1 240 ? 45.707 -13.187 4.911 1.00 14.40 ? 257 GLY A CA 1 ATOM 1951 C C . GLY A 1 240 ? 46.366 -14.320 5.665 1.00 14.38 ? 257 GLY A C 1 ATOM 1952 O O . GLY A 1 240 ? 46.878 -15.252 5.052 1.00 15.40 ? 257 GLY A O 1 ATOM 1953 N N . ASN A 1 241 ? 46.386 -14.246 6.994 1.00 13.05 ? 258 ASN A N 1 ATOM 1954 C CA . ASN A 1 241 ? 47.088 -15.238 7.808 1.00 13.17 ? 258 ASN A CA 1 ATOM 1955 C C . ASN A 1 241 ? 46.151 -16.300 8.391 1.00 14.79 ? 258 ASN A C 1 ATOM 1956 O O . ASN A 1 241 ? 45.260 -16.751 7.668 1.00 17.07 ? 258 ASN A O 1 ATOM 1957 C CB . ASN A 1 241 ? 47.921 -14.519 8.842 1.00 12.56 ? 258 ASN A CB 1 ATOM 1958 C CG . ASN A 1 241 ? 48.953 -13.597 8.189 1.00 14.65 ? 258 ASN A CG 1 ATOM 1959 O OD1 . ASN A 1 241 ? 49.472 -13.931 7.120 1.00 14.93 ? 258 ASN A OD1 1 ATOM 1960 N ND2 . ASN A 1 241 ? 49.236 -12.462 8.812 1.00 13.94 ? 258 ASN A ND2 1 ATOM 1961 N N . PHE A 1 242 ? 46.348 -16.722 9.643 1.00 12.97 ? 259 PHE A N 1 ATOM 1962 C CA . PHE A 1 242 ? 45.758 -17.973 10.135 1.00 15.16 ? 259 PHE A CA 1 ATOM 1963 C C . PHE A 1 242 ? 44.686 -17.815 11.206 1.00 15.60 ? 259 PHE A C 1 ATOM 1964 O O . PHE A 1 242 ? 43.826 -18.695 11.321 1.00 13.94 ? 259 PHE A O 1 ATOM 1965 C CB . PHE A 1 242 ? 46.840 -18.872 10.710 1.00 14.55 ? 259 PHE A CB 1 ATOM 1966 C CG . PHE A 1 242 ? 47.979 -19.125 9.757 1.00 14.26 ? 259 PHE A CG 1 ATOM 1967 C CD1 . PHE A 1 242 ? 47.886 -20.112 8.783 1.00 15.77 ? 259 PHE A CD1 1 ATOM 1968 C CD2 . PHE A 1 242 ? 49.141 -18.366 9.846 1.00 16.67 ? 259 PHE A CD2 1 ATOM 1969 C CE1 . PHE A 1 242 ? 48.966 -20.321 7.888 1.00 17.45 ? 259 PHE A CE1 1 ATOM 1970 C CE2 . PHE A 1 242 ? 50.207 -18.568 8.968 1.00 16.33 ? 259 PHE A CE2 1 ATOM 1971 C CZ . PHE A 1 242 ? 50.109 -19.535 7.993 1.00 15.53 ? 259 PHE A CZ 1 ATOM 1972 N N . GLY A 1 243 ? 44.777 -16.746 11.997 1.00 13.70 ? 260 GLY A N 1 ATOM 1973 C CA . GLY A 1 243 ? 43.999 -16.615 13.218 1.00 12.29 ? 260 GLY A CA 1 ATOM 1974 C C . GLY A 1 243 ? 42.635 -15.972 13.067 1.00 12.82 ? 260 GLY A C 1 ATOM 1975 O O . GLY A 1 243 ? 41.752 -16.211 13.880 1.00 13.76 ? 260 GLY A O 1 ATOM 1976 N N . LEU A 1 244 ? 42.460 -15.133 12.046 1.00 12.86 ? 261 LEU A N 1 ATOM 1977 C CA . LEU A 1 244 ? 41.172 -14.444 11.867 1.00 11.01 ? 261 LEU A CA 1 ATOM 1978 C C . LEU A 1 244 ? 40.250 -15.138 10.885 1.00 12.88 ? 261 LEU A C 1 ATOM 1979 O O . LEU A 1 244 ? 40.660 -15.534 9.793 1.00 15.34 ? 261 LEU A O 1 ATOM 1980 C CB . LEU A 1 244 ? 41.375 -12.994 11.400 1.00 12.17 ? 261 LEU A CB 1 ATOM 1981 C CG . LEU A 1 244 ? 42.233 -12.080 12.269 1.00 12.68 ? 261 LEU A CG 1 ATOM 1982 C CD1 . LEU A 1 244 ? 42.075 -10.616 11.813 1.00 14.85 ? 261 LEU A CD1 1 ATOM 1983 C CD2 . LEU A 1 244 ? 41.948 -12.203 13.793 1.00 14.51 ? 261 LEU A CD2 1 ATOM 1984 N N . SER A 1 245 ? 38.991 -15.251 11.290 1.00 12.25 ? 262 SER A N 1 ATOM 1985 C CA . SER A 1 245 ? 37.954 -15.666 10.370 1.00 11.78 ? 262 SER A CA 1 ATOM 1986 C C . SER A 1 245 ? 37.690 -14.557 9.346 1.00 14.34 ? 262 SER A C 1 ATOM 1987 O O . SER A 1 245 ? 38.241 -13.463 9.432 1.00 14.53 ? 262 SER A O 1 ATOM 1988 C CB . SER A 1 245 ? 36.668 -15.978 11.133 1.00 13.33 ? 262 SER A CB 1 ATOM 1989 O OG . SER A 1 245 ? 36.092 -14.779 11.606 1.00 12.85 ? 262 SER A OG 1 ATOM 1990 N N . LEU A 1 246 ? 36.850 -14.873 8.372 1.00 13.62 ? 263 LEU A N 1 ATOM 1991 C CA . LEU A 1 246 ? 36.427 -13.892 7.350 1.00 13.11 ? 263 LEU A CA 1 ATOM 1992 C C . LEU A 1 246 ? 35.772 -12.655 7.985 1.00 14.25 ? 263 LEU A C 1 ATOM 1993 O O . LEU A 1 246 ? 36.170 -11.522 7.691 1.00 14.30 ? 263 LEU A O 1 ATOM 1994 C CB . LEU A 1 246 ? 35.491 -14.538 6.326 1.00 13.65 ? 263 LEU A CB 1 ATOM 1995 C CG . LEU A 1 246 ? 34.965 -13.591 5.261 1.00 19.22 ? 263 LEU A CG 1 ATOM 1996 C CD1 . LEU A 1 246 ? 36.149 -12.976 4.502 1.00 18.39 ? 263 LEU A CD1 1 ATOM 1997 C CD2 . LEU A 1 246 ? 34.017 -14.354 4.329 1.00 21.56 ? 263 LEU A CD2 1 ATOM 1998 N N . GLU A 1 247 ? 34.819 -12.849 8.894 1.00 14.11 ? 264 GLU A N 1 ATOM 1999 C CA . GLU A 1 247 ? 34.185 -11.718 9.566 1.00 12.91 ? 264 GLU A CA 1 ATOM 2000 C C . GLU A 1 247 ? 35.212 -10.883 10.340 1.00 12.84 ? 264 GLU A C 1 ATOM 2001 O O . GLU A 1 247 ? 35.187 -9.655 10.292 1.00 13.85 ? 264 GLU A O 1 ATOM 2002 C CB . GLU A 1 247 ? 33.064 -12.150 10.499 1.00 14.83 ? 264 GLU A CB 1 ATOM 2003 C CG . GLU A 1 247 ? 31.869 -12.717 9.762 1.00 15.79 ? 264 GLU A CG 1 ATOM 2004 C CD . GLU A 1 247 ? 31.067 -11.705 8.988 1.00 20.26 ? 264 GLU A CD 1 ATOM 2005 O OE1 . GLU A 1 247 ? 30.455 -12.124 7.980 1.00 20.90 ? 264 GLU A OE1 1 ATOM 2006 O OE2 . GLU A 1 247 ? 31.032 -10.519 9.386 1.00 19.98 ? 264 GLU A OE2 1 ATOM 2007 N N . GLN A 1 248 ? 36.125 -11.554 11.031 1.00 13.95 ? 265 GLN A N 1 ATOM 2008 C CA . GLN A 1 248 ? 37.144 -10.880 11.806 1.00 13.47 ? 265 GLN A CA 1 ATOM 2009 C C . GLN A 1 248 ? 38.135 -10.097 10.941 1.00 13.20 ? 265 GLN A C 1 ATOM 2010 O O . GLN A 1 248 ? 38.609 -9.028 11.328 1.00 12.62 ? 265 GLN A O 1 ATOM 2011 C CB . GLN A 1 248 ? 37.861 -11.917 12.663 1.00 12.60 ? 265 GLN A CB 1 ATOM 2012 C CG . GLN A 1 248 ? 36.958 -12.452 13.753 1.00 14.75 ? 265 GLN A CG 1 ATOM 2013 C CD . GLN A 1 248 ? 37.349 -13.845 14.259 1.00 13.38 ? 265 GLN A CD 1 ATOM 2014 O OE1 . GLN A 1 248 ? 38.453 -14.329 13.991 1.00 11.99 ? 265 GLN A OE1 1 ATOM 2015 N NE2 . GLN A 1 248 ? 36.409 -14.509 14.943 1.00 13.36 ? 265 GLN A NE2 1 ATOM 2016 N N . SER A 1 249 ? 38.478 -10.665 9.794 1.00 11.93 ? 266 SER A N 1 ATOM 2017 C CA . SER A 1 249 ? 39.378 -9.999 8.826 1.00 13.04 ? 266 SER A CA 1 ATOM 2018 C C . SER A 1 249 ? 38.751 -8.706 8.316 1.00 14.72 ? 266 SER A C 1 ATOM 2019 O O . SER A 1 249 ? 39.394 -7.649 8.275 1.00 14.36 ? 266 SER A O 1 ATOM 2020 C CB . SER A 1 249 ? 39.670 -10.952 7.677 1.00 12.88 ? 266 SER A CB 1 ATOM 2021 O OG . SER A 1 249 ? 40.347 -12.113 8.163 1.00 15.52 ? 266 SER A OG 1 ATOM 2022 N N . ARG A 1 250 ? 37.487 -8.800 7.935 1.00 13.91 ? 267 ARG A N 1 ATOM 2023 C CA . ARG A 1 250 ? 36.759 -7.630 7.492 1.00 14.33 ? 267 ARG A CA 1 ATOM 2024 C C . ARG A 1 250 ? 36.640 -6.599 8.612 1.00 14.30 ? 267 ARG A C 1 ATOM 2025 O O . ARG A 1 250 ? 36.687 -5.391 8.343 1.00 14.41 ? 267 ARG A O 1 ATOM 2026 C CB . ARG A 1 250 ? 35.384 -8.027 6.973 1.00 14.04 ? 267 ARG A CB 1 ATOM 2027 C CG . ARG A 1 250 ? 35.444 -8.703 5.615 1.00 14.83 ? 267 ARG A CG 1 ATOM 2028 C CD . ARG A 1 250 ? 34.086 -8.997 5.053 1.00 20.07 ? 267 ARG A CD 1 ATOM 2029 N NE . ARG A 1 250 ? 34.230 -9.628 3.744 1.00 20.45 ? 267 ARG A NE 1 ATOM 2030 C CZ . ARG A 1 250 ? 33.471 -10.620 3.270 1.00 19.73 ? 267 ARG A CZ 1 ATOM 2031 N NH1 . ARG A 1 250 ? 32.445 -11.114 3.983 1.00 22.64 ? 267 ARG A NH1 1 ATOM 2032 N NH2 . ARG A 1 250 ? 33.725 -11.117 2.059 1.00 23.20 ? 267 ARG A NH2 1 ATOM 2033 N N . ALA A 1 251 ? 36.495 -7.071 9.864 1.00 13.95 ? 268 ALA A N 1 ATOM 2034 C CA . ALA A 1 251 ? 36.374 -6.176 11.003 1.00 13.41 ? 268 ALA A CA 1 ATOM 2035 C C . ALA A 1 251 ? 37.682 -5.429 11.238 1.00 14.09 ? 268 ALA A C 1 ATOM 2036 O O . ALA A 1 251 ? 37.687 -4.210 11.459 1.00 14.31 ? 268 ALA A O 1 ATOM 2037 C CB . ALA A 1 251 ? 35.976 -6.939 12.269 1.00 13.13 ? 268 ALA A CB 1 ATOM 2038 N N . GLN A 1 252 ? 38.805 -6.144 11.198 1.00 11.93 ? 269 GLN A N 1 ATOM 2039 C CA . GLN A 1 252 ? 40.079 -5.472 11.448 1.00 13.42 ? 269 GLN A CA 1 ATOM 2040 C C . GLN A 1 252 ? 40.315 -4.378 10.400 1.00 12.76 ? 269 GLN A C 1 ATOM 2041 O O . GLN A 1 252 ? 40.728 -3.285 10.727 1.00 13.90 ? 269 GLN A O 1 ATOM 2042 C CB . GLN A 1 252 ? 41.273 -6.429 11.486 1.00 12.38 ? 269 GLN A CB 1 ATOM 2043 C CG . GLN A 1 252 ? 42.464 -5.725 12.145 1.00 14.09 ? 269 GLN A CG 1 ATOM 2044 C CD . GLN A 1 252 ? 43.827 -6.402 11.920 1.00 15.36 ? 269 GLN A CD 1 ATOM 2045 O OE1 . GLN A 1 252 ? 43.967 -7.325 11.131 1.00 13.31 ? 269 GLN A OE1 1 ATOM 2046 N NE2 . GLN A 1 252 ? 44.832 -5.944 12.656 1.00 13.04 ? 269 GLN A NE2 1 ATOM 2047 N N . MET A 1 253 ? 40.051 -4.670 9.143 1.00 12.56 ? 270 MET A N 1 ATOM 2048 C CA . MET A 1 253 ? 40.274 -3.691 8.100 1.00 11.85 ? 270 MET A CA 1 ATOM 2049 C C . MET A 1 253 ? 39.418 -2.437 8.339 1.00 14.05 ? 270 MET A C 1 ATOM 2050 O O . MET A 1 253 ? 39.901 -1.302 8.238 1.00 14.24 ? 270 MET A O 1 ATOM 2051 C CB . MET A 1 253 ? 39.957 -4.313 6.746 1.00 13.04 ? 270 MET A CB 1 ATOM 2052 C CG . MET A 1 253 ? 40.262 -3.458 5.556 1.00 14.67 ? 270 MET A CG 1 ATOM 2053 S SD . MET A 1 253 ? 42.047 -3.399 5.293 1.00 15.96 ? 270 MET A SD 1 ATOM 2054 C CE . MET A 1 253 ? 42.072 -2.254 3.854 1.00 15.79 ? 270 MET A CE 1 ATOM 2055 N N . ALA A 1 254 ? 38.152 -2.657 8.654 1.00 14.10 ? 271 ALA A N 1 ATOM 2056 C CA . ALA A 1 254 ? 37.212 -1.555 8.875 1.00 14.95 ? 271 ALA A CA 1 ATOM 2057 C C . ALA A 1 254 ? 37.597 -0.717 10.086 1.00 14.88 ? 271 ALA A C 1 ATOM 2058 O O . ALA A 1 254 ? 37.535 0.513 10.034 1.00 15.40 ? 271 ALA A O 1 ATOM 2059 C CB . ALA A 1 254 ? 35.776 -2.085 9.019 1.00 13.05 ? 271 ALA A CB 1 ATOM 2060 N N . LEU A 1 255 ? 37.994 -1.379 11.172 1.00 13.11 ? 272 LEU A N 1 ATOM 2061 C CA . LEU A 1 255 ? 38.300 -0.686 12.423 1.00 14.88 ? 272 LEU A CA 1 ATOM 2062 C C . LEU A 1 255 ? 39.635 0.054 12.334 1.00 12.59 ? 272 LEU A C 1 ATOM 2063 O O . LEU A 1 255 ? 39.768 1.191 12.790 1.00 14.39 ? 272 LEU A O 1 ATOM 2064 C CB . LEU A 1 255 ? 38.260 -1.671 13.605 1.00 13.89 ? 272 LEU A CB 1 ATOM 2065 C CG . LEU A 1 255 ? 36.816 -2.154 13.833 1.00 17.24 ? 272 LEU A CG 1 ATOM 2066 C CD1 . LEU A 1 255 ? 36.882 -3.435 14.658 1.00 16.53 ? 272 LEU A CD1 1 ATOM 2067 C CD2 . LEU A 1 255 ? 35.901 -1.074 14.462 1.00 18.22 ? 272 LEU A CD2 1 ATOM 2068 N N . TRP A 1 256 ? 40.622 -0.558 11.697 1.00 12.02 ? 273 TRP A N 1 ATOM 2069 C CA . TRP A 1 256 ? 41.884 0.141 11.482 1.00 13.29 ? 273 TRP A CA 1 ATOM 2070 C C . TRP A 1 256 ? 41.645 1.383 10.618 1.00 14.44 ? 273 TRP A C 1 ATOM 2071 O O . TRP A 1 256 ? 42.242 2.433 10.845 1.00 15.94 ? 273 TRP A O 1 ATOM 2072 C CB . TRP A 1 256 ? 42.925 -0.773 10.838 1.00 13.33 ? 273 TRP A CB 1 ATOM 2073 C CG . TRP A 1 256 ? 43.902 -1.444 11.810 1.00 12.45 ? 273 TRP A CG 1 ATOM 2074 C CD1 . TRP A 1 256 ? 45.254 -1.473 11.665 1.00 13.99 ? 273 TRP A CD1 1 ATOM 2075 C CD2 . TRP A 1 256 ? 43.622 -2.145 13.051 1.00 14.12 ? 273 TRP A CD2 1 ATOM 2076 N NE1 . TRP A 1 256 ? 45.830 -2.155 12.706 1.00 14.60 ? 273 TRP A NE1 1 ATOM 2077 C CE2 . TRP A 1 256 ? 44.860 -2.563 13.575 1.00 13.66 ? 273 TRP A CE2 1 ATOM 2078 C CE3 . TRP A 1 256 ? 42.461 -2.451 13.769 1.00 15.21 ? 273 TRP A CE3 1 ATOM 2079 C CZ2 . TRP A 1 256 ? 44.968 -3.285 14.774 1.00 14.96 ? 273 TRP A CZ2 1 ATOM 2080 C CZ3 . TRP A 1 256 ? 42.577 -3.167 14.963 1.00 14.78 ? 273 TRP A CZ3 1 ATOM 2081 C CH2 . TRP A 1 256 ? 43.816 -3.571 15.446 1.00 14.58 ? 273 TRP A CH2 1 ATOM 2082 N N . THR A 1 257 ? 40.773 1.243 9.633 1.00 14.26 ? 274 THR A N 1 ATOM 2083 C CA . THR A 1 257 ? 40.432 2.361 8.745 1.00 15.36 ? 274 THR A CA 1 ATOM 2084 C C . THR A 1 257 ? 39.769 3.498 9.520 1.00 17.90 ? 274 THR A C 1 ATOM 2085 O O . THR A 1 257 ? 40.136 4.666 9.346 1.00 17.69 ? 274 THR A O 1 ATOM 2086 C CB . THR A 1 257 ? 39.603 1.873 7.570 1.00 16.63 ? 274 THR A CB 1 ATOM 2087 O OG1 . THR A 1 257 ? 40.445 1.054 6.744 1.00 16.00 ? 274 THR A OG1 1 ATOM 2088 C CG2 . THR A 1 257 ? 39.032 3.062 6.743 1.00 15.30 ? 274 THR A CG2 1 ATOM 2089 N N . VAL A 1 258 ? 38.817 3.162 10.385 1.00 14.95 ? 275 VAL A N 1 ATOM 2090 C CA . VAL A 1 258 ? 38.105 4.182 11.147 1.00 16.36 ? 275 VAL A CA 1 ATOM 2091 C C . VAL A 1 258 ? 39.046 4.839 12.156 1.00 18.52 ? 275 VAL A C 1 ATOM 2092 O O . VAL A 1 258 ? 38.855 6.002 12.515 1.00 18.49 ? 275 VAL A O 1 ATOM 2093 C CB . VAL A 1 258 ? 36.791 3.605 11.747 1.00 23.25 ? 275 VAL A CB 1 ATOM 2094 C CG1 . VAL A 1 258 ? 37.036 2.956 13.037 1.00 21.37 ? 275 VAL A CG1 1 ATOM 2095 C CG2 . VAL A 1 258 ? 35.728 4.684 11.873 1.00 31.45 ? 275 VAL A CG2 1 ATOM 2096 N N . LEU A 1 259 ? 40.097 4.125 12.554 1.00 16.26 ? 276 LEU A N 1 ATOM 2097 C CA . LEU A 1 259 ? 41.107 4.637 13.476 1.00 14.77 ? 276 LEU A CA 1 ATOM 2098 C C . LEU A 1 259 ? 42.249 5.415 12.792 1.00 14.93 ? 276 LEU A C 1 ATOM 2099 O O . LEU A 1 259 ? 43.181 5.851 13.463 1.00 16.58 ? 276 LEU A O 1 ATOM 2100 C CB . LEU A 1 259 ? 41.690 3.497 14.322 1.00 16.17 ? 276 LEU A CB 1 ATOM 2101 C CG . LEU A 1 259 ? 40.787 2.877 15.377 1.00 19.54 ? 276 LEU A CG 1 ATOM 2102 C CD1 . LEU A 1 259 ? 41.467 1.628 15.955 1.00 20.41 ? 276 LEU A CD1 1 ATOM 2103 C CD2 . LEU A 1 259 ? 40.430 3.901 16.495 1.00 20.28 ? 276 LEU A CD2 1 ATOM 2104 N N . ALA A 1 260 ? 42.167 5.626 11.474 1.00 16.58 ? 277 ALA A N 1 ATOM 2105 C CA . ALA A 1 260 ? 43.231 6.307 10.746 1.00 17.46 ? 277 ALA A CA 1 ATOM 2106 C C . ALA A 1 260 ? 44.585 5.630 11.036 1.00 14.43 ? 277 ALA A C 1 ATOM 2107 O O . ALA A 1 260 ? 45.629 6.281 11.204 1.00 16.09 ? 277 ALA A O 1 ATOM 2108 C CB . ALA A 1 260 ? 43.256 7.810 11.096 1.00 16.08 ? 277 ALA A CB 1 ATOM 2109 N N . ALA A 1 261 ? 44.553 4.301 11.074 1.00 14.17 ? 278 ALA A N 1 ATOM 2110 C CA . ALA A 1 261 ? 45.751 3.506 11.261 1.00 14.68 ? 278 ALA A CA 1 ATOM 2111 C C . ALA A 1 261 ? 46.554 3.307 9.981 1.00 12.95 ? 278 ALA A C 1 ATOM 2112 O O . ALA A 1 261 ? 45.993 3.261 8.906 1.00 15.94 ? 278 ALA A O 1 ATOM 2113 C CB . ALA A 1 261 ? 45.353 2.122 11.796 1.00 13.78 ? 278 ALA A CB 1 ATOM 2114 N N . PRO A 1 262 ? 47.867 3.067 10.103 1.00 13.14 ? 279 PRO A N 1 ATOM 2115 C CA . PRO A 1 262 ? 48.637 2.492 9.002 1.00 13.99 ? 279 PRO A CA 1 ATOM 2116 C C . PRO A 1 262 ? 47.939 1.230 8.494 1.00 14.51 ? 279 PRO A C 1 ATOM 2117 O O . PRO A 1 262 ? 47.317 0.498 9.276 1.00 14.93 ? 279 PRO A O 1 ATOM 2118 C CB . PRO A 1 262 ? 49.980 2.138 9.653 1.00 15.28 ? 279 PRO A CB 1 ATOM 2119 C CG . PRO A 1 262 ? 50.084 3.062 10.826 1.00 15.84 ? 279 PRO A CG 1 ATOM 2120 C CD . PRO A 1 262 ? 48.672 3.137 11.336 1.00 14.54 ? 279 PRO A CD 1 ATOM 2121 N N . LEU A 1 263 ? 47.976 1.008 7.189 1.00 14.41 ? 280 LEU A N 1 ATOM 2122 C CA . LEU A 1 263 ? 47.564 -0.271 6.610 1.00 13.21 ? 280 LEU A CA 1 ATOM 2123 C C . LEU A 1 263 ? 48.834 -1.010 6.185 1.00 12.77 ? 280 LEU A C 1 ATOM 2124 O O . LEU A 1 263 ? 49.245 -0.990 5.013 1.00 14.52 ? 280 LEU A O 1 ATOM 2125 C CB . LEU A 1 263 ? 46.626 -0.036 5.446 1.00 13.19 ? 280 LEU A CB 1 ATOM 2126 C CG . LEU A 1 263 ? 45.344 0.708 5.790 1.00 13.55 ? 280 LEU A CG 1 ATOM 2127 C CD1 . LEU A 1 263 ? 44.560 0.956 4.485 1.00 16.59 ? 280 LEU A CD1 1 ATOM 2128 C CD2 . LEU A 1 263 ? 44.487 -0.022 6.833 1.00 14.69 ? 280 LEU A CD2 1 ATOM 2129 N N . LEU A 1 264 ? 49.493 -1.586 7.183 1.00 13.41 ? 281 LEU A N 1 ATOM 2130 C CA . LEU A 1 264 ? 50.727 -2.316 6.958 1.00 13.63 ? 281 LEU A CA 1 ATOM 2131 C C . LEU A 1 264 ? 50.417 -3.796 7.069 1.00 14.41 ? 281 LEU A C 1 ATOM 2132 O O . LEU A 1 264 ? 50.252 -4.332 8.189 1.00 14.16 ? 281 LEU A O 1 ATOM 2133 C CB . LEU A 1 264 ? 51.830 -1.867 7.929 1.00 12.76 ? 281 LEU A CB 1 ATOM 2134 C CG . LEU A 1 264 ? 52.328 -0.431 7.651 1.00 14.96 ? 281 LEU A CG 1 ATOM 2135 C CD1 . LEU A 1 264 ? 53.215 0.090 8.803 1.00 17.24 ? 281 LEU A CD1 1 ATOM 2136 C CD2 . LEU A 1 264 ? 53.102 -0.324 6.330 1.00 18.92 ? 281 LEU A CD2 1 ATOM 2137 N N . MET A 1 265 ? 50.310 -4.443 5.914 1.00 13.64 ? 282 MET A N 1 ATOM 2138 C CA . MET A 1 265 ? 50.051 -5.871 5.820 1.00 15.28 ? 282 MET A CA 1 ATOM 2139 C C . MET A 1 265 ? 51.268 -6.612 6.323 1.00 12.33 ? 282 MET A C 1 ATOM 2140 O O . MET A 1 265 ? 52.362 -6.070 6.331 1.00 14.27 ? 282 MET A O 1 ATOM 2141 C CB . MET A 1 265 ? 49.878 -6.293 4.365 1.00 16.92 ? 282 MET A CB 1 ATOM 2142 C CG . MET A 1 265 ? 48.832 -5.590 3.664 1.00 15.49 ? 282 MET A CG 1 ATOM 2143 S SD . MET A 1 265 ? 48.617 -6.169 1.973 1.00 18.24 ? 282 MET A SD 1 ATOM 2144 C CE . MET A 1 265 ? 49.939 -5.322 1.050 1.00 13.82 ? 282 MET A CE 1 ATOM 2145 N N . SER A 1 266 ? 51.084 -7.870 6.688 1.00 12.10 ? 283 SER A N 1 ATOM 2146 C CA . SER A 1 266 ? 52.186 -8.763 6.979 1.00 11.96 ? 283 SER A CA 1 ATOM 2147 C C . SER A 1 266 ? 51.697 -10.171 6.777 1.00 14.52 ? 283 SER A C 1 ATOM 2148 O O . SER A 1 266 ? 51.146 -10.811 7.678 1.00 13.02 ? 283 SER A O 1 ATOM 2149 C CB . SER A 1 266 ? 52.689 -8.561 8.384 1.00 13.01 ? 283 SER A CB 1 ATOM 2150 O OG . SER A 1 266 ? 53.833 -9.361 8.660 1.00 15.44 ? 283 SER A OG 1 ATOM 2151 N N . THR A 1 267 ? 51.818 -10.620 5.538 1.00 14.22 ? 284 THR A N 1 ATOM 2152 C CA . THR A 1 267 ? 51.188 -11.854 5.118 1.00 13.80 ? 284 THR A CA 1 ATOM 2153 C C . THR A 1 267 ? 51.913 -12.346 3.876 1.00 13.70 ? 284 THR A C 1 ATOM 2154 O O . THR A 1 267 ? 52.645 -11.578 3.224 1.00 15.16 ? 284 THR A O 1 ATOM 2155 C CB . THR A 1 267 ? 49.656 -11.646 4.805 1.00 12.68 ? 284 THR A CB 1 ATOM 2156 O OG1 . THR A 1 267 ? 49.016 -12.924 4.670 1.00 13.43 ? 284 THR A OG1 1 ATOM 2157 C CG2 . THR A 1 267 ? 49.396 -10.785 3.523 1.00 15.58 ? 284 THR A CG2 1 ATOM 2158 N N . ASP A 1 268 ? 51.721 -13.612 3.536 1.00 13.15 ? 285 ASP A N 1 ATOM 2159 C CA . ASP A 1 268 ? 52.355 -14.127 2.315 1.00 14.61 ? 285 ASP A CA 1 ATOM 2160 C C . ASP A 1 268 ? 51.589 -13.703 1.058 1.00 14.33 ? 285 ASP A C 1 ATOM 2161 O O . ASP A 1 268 ? 50.585 -14.304 0.680 1.00 14.82 ? 285 ASP A O 1 ATOM 2162 C CB . ASP A 1 268 ? 52.513 -15.638 2.387 1.00 16.26 ? 285 ASP A CB 1 ATOM 2163 C CG . ASP A 1 268 ? 53.487 -16.164 1.360 1.00 20.52 ? 285 ASP A CG 1 ATOM 2164 O OD1 . ASP A 1 268 ? 53.741 -15.436 0.379 1.00 17.35 ? 285 ASP A OD1 1 ATOM 2165 O OD2 . ASP A 1 268 ? 54.005 -17.290 1.545 1.00 21.58 ? 285 ASP A OD2 1 ATOM 2166 N N . LEU A 1 269 ? 52.072 -12.636 0.412 1.00 15.98 ? 286 LEU A N 1 ATOM 2167 C CA . LEU A 1 269 ? 51.423 -12.139 -0.793 1.00 14.45 ? 286 LEU A CA 1 ATOM 2168 C C . LEU A 1 269 ? 51.533 -13.131 -1.940 1.00 16.14 ? 286 LEU A C 1 ATOM 2169 O O . LEU A 1 269 ? 50.826 -12.989 -2.921 1.00 16.29 ? 286 LEU A O 1 ATOM 2170 C CB . LEU A 1 269 ? 52.010 -10.805 -1.230 1.00 13.91 ? 286 LEU A CB 1 ATOM 2171 C CG . LEU A 1 269 ? 51.944 -9.660 -0.210 1.00 14.34 ? 286 LEU A CG 1 ATOM 2172 C CD1 . LEU A 1 269 ? 52.639 -8.420 -0.839 1.00 16.37 ? 286 LEU A CD1 1 ATOM 2173 C CD2 . LEU A 1 269 ? 50.522 -9.360 0.202 1.00 18.52 ? 286 LEU A CD2 1 ATOM 2174 N N . ARG A 1 270 ? 52.400 -14.133 -1.843 1.00 14.91 ? 287 ARG A N 1 ATOM 2175 C CA . ARG A 1 270 ? 52.542 -15.100 -2.934 1.00 16.35 ? 287 ARG A CA 1 ATOM 2176 C C . ARG A 1 270 ? 51.373 -16.084 -2.979 1.00 18.55 ? 287 ARG A C 1 ATOM 2177 O O . ARG A 1 270 ? 51.103 -16.692 -4.029 1.00 19.79 ? 287 ARG A O 1 ATOM 2178 C CB . ARG A 1 270 ? 53.864 -15.864 -2.826 1.00 17.86 ? 287 ARG A CB 1 ATOM 2179 C CG . ARG A 1 270 ? 55.096 -14.964 -2.815 1.00 18.73 ? 287 ARG A CG 1 ATOM 2180 C CD . ARG A 1 270 ? 56.320 -15.711 -2.320 1.00 22.20 ? 287 ARG A CD 1 ATOM 2181 N NE . ARG A 1 270 ? 56.181 -16.114 -0.924 1.00 19.01 ? 287 ARG A NE 1 ATOM 2182 C CZ . ARG A 1 270 ? 57.175 -16.608 -0.180 1.00 23.48 ? 287 ARG A CZ 1 ATOM 2183 N NH1 . ARG A 1 270 ? 58.408 -16.753 -0.663 1.00 24.46 ? 287 ARG A NH1 1 ATOM 2184 N NH2 . ARG A 1 270 ? 56.936 -16.957 1.063 1.00 20.41 ? 287 ARG A NH2 1 ATOM 2185 N N . THR A 1 271 ? 50.690 -16.253 -1.844 1.00 17.71 ? 288 THR A N 1 ATOM 2186 C CA . THR A 1 271 ? 49.633 -17.245 -1.725 1.00 17.58 ? 288 THR A CA 1 ATOM 2187 C C . THR A 1 271 ? 48.286 -16.676 -1.229 1.00 19.88 ? 288 THR A C 1 ATOM 2188 O O . THR A 1 271 ? 47.333 -17.425 -1.010 1.00 19.99 ? 288 THR A O 1 ATOM 2189 C CB . THR A 1 271 ? 50.068 -18.400 -0.809 1.00 19.17 ? 288 THR A CB 1 ATOM 2190 O OG1 . THR A 1 271 ? 50.388 -17.893 0.486 1.00 19.87 ? 288 THR A OG1 1 ATOM 2191 C CG2 . THR A 1 271 ? 51.291 -19.133 -1.399 1.00 22.52 ? 288 THR A CG2 1 ATOM 2192 N N . ILE A 1 272 ? 48.209 -15.363 -1.061 1.00 18.60 ? 289 ILE A N 1 ATOM 2193 C CA . ILE A 1 272 ? 47.029 -14.737 -0.450 1.00 18.00 ? 289 ILE A CA 1 ATOM 2194 C C . ILE A 1 272 ? 45.766 -15.097 -1.222 1.00 18.33 ? 289 ILE A C 1 ATOM 2195 O O . ILE A 1 272 ? 45.768 -15.113 -2.453 1.00 18.30 ? 289 ILE A O 1 ATOM 2196 C CB . ILE A 1 272 ? 47.220 -13.203 -0.317 1.00 15.10 ? 289 ILE A CB 1 ATOM 2197 C CG1 . ILE A 1 272 ? 46.056 -12.593 0.452 1.00 16.21 ? 289 ILE A CG1 1 ATOM 2198 C CG2 . ILE A 1 272 ? 47.348 -12.549 -1.716 1.00 16.36 ? 289 ILE A CG2 1 ATOM 2199 C CD1 . ILE A 1 272 ? 46.261 -11.111 0.818 1.00 17.12 ? 289 ILE A CD1 1 ATOM 2200 N N . SER A 1 273 ? 44.700 -15.419 -0.497 1.00 17.98 ? 290 SER A N 1 ATOM 2201 C CA . SER A 1 273 ? 43.443 -15.795 -1.144 1.00 18.41 ? 290 SER A CA 1 ATOM 2202 C C . SER A 1 273 ? 42.800 -14.594 -1.812 1.00 20.93 ? 290 SER A C 1 ATOM 2203 O O . SER A 1 273 ? 43.011 -13.440 -1.402 1.00 18.22 ? 290 SER A O 1 ATOM 2204 C CB . SER A 1 273 ? 42.477 -16.385 -0.128 1.00 21.07 ? 290 SER A CB 1 ATOM 2205 O OG . SER A 1 273 ? 42.015 -15.390 0.768 1.00 20.20 ? 290 SER A OG 1 ATOM 2206 N N . ALA A 1 274 ? 41.980 -14.874 -2.820 1.00 22.08 ? 291 ALA A N 1 ATOM 2207 C CA . ALA A 1 274 ? 41.150 -13.859 -3.486 1.00 20.20 ? 291 ALA A CA 1 ATOM 2208 C C . ALA A 1 274 ? 40.279 -13.102 -2.493 1.00 19.72 ? 291 ALA A C 1 ATOM 2209 O O . ALA A 1 274 ? 40.162 -11.889 -2.567 1.00 19.05 ? 291 ALA A O 1 ATOM 2210 C CB . ALA A 1 274 ? 40.235 -14.522 -4.548 1.00 24.04 ? 291 ALA A CB 1 ATOM 2211 N N . GLN A 1 275 ? 39.684 -13.830 -1.553 1.00 19.16 ? 292 GLN A N 1 ATOM 2212 C CA . GLN A 1 275 ? 38.797 -13.213 -0.562 1.00 17.09 ? 292 GLN A CA 1 ATOM 2213 C C . GLN A 1 275 ? 39.545 -12.212 0.297 1.00 20.91 ? 292 GLN A C 1 ATOM 2214 O O . GLN A 1 275 ? 39.037 -11.130 0.589 1.00 19.11 ? 292 GLN A O 1 ATOM 2215 C CB . GLN A 1 275 ? 38.147 -14.278 0.321 1.00 23.08 ? 292 GLN A CB 1 ATOM 2216 C CG . GLN A 1 275 ? 36.773 -13.926 0.825 1.00 44.36 ? 292 GLN A CG 1 ATOM 2217 C CD . GLN A 1 275 ? 36.001 -15.163 1.261 1.00 32.78 ? 292 GLN A CD 1 ATOM 2218 O OE1 . GLN A 1 275 ? 36.521 -15.983 2.015 1.00 32.84 ? 292 GLN A OE1 1 ATOM 2219 N NE2 . GLN A 1 275 ? 34.765 -15.302 0.782 1.00 42.08 ? 292 GLN A NE2 1 ATOM 2220 N N . ASN A 1 276 ? 40.747 -12.578 0.728 1.00 17.38 ? 293 ASN A N 1 ATOM 2221 C CA . ASN A 1 276 ? 41.540 -11.649 1.532 1.00 18.15 ? 293 ASN A CA 1 ATOM 2222 C C . ASN A 1 276 ? 42.081 -10.486 0.718 1.00 17.84 ? 293 ASN A C 1 ATOM 2223 O O . ASN A 1 276 ? 42.106 -9.352 1.203 1.00 16.62 ? 293 ASN A O 1 ATOM 2224 C CB . ASN A 1 276 ? 42.647 -12.364 2.293 1.00 17.66 ? 293 ASN A CB 1 ATOM 2225 C CG . ASN A 1 276 ? 42.108 -13.136 3.489 1.00 15.92 ? 293 ASN A CG 1 ATOM 2226 O OD1 . ASN A 1 276 ? 41.168 -12.685 4.172 1.00 17.10 ? 293 ASN A OD1 1 ATOM 2227 N ND2 . ASN A 1 276 ? 42.656 -14.317 3.719 1.00 18.00 ? 293 ASN A ND2 1 ATOM 2228 N N A MET A 1 277 ? 42.510 -10.754 -0.514 0.50 14.58 ? 294 MET A N 1 ATOM 2229 N N B MET A 1 277 ? 42.505 -10.744 -0.518 0.50 14.31 ? 294 MET A N 1 ATOM 2230 C CA A MET A 1 277 ? 42.910 -9.669 -1.411 0.50 16.99 ? 294 MET A CA 1 ATOM 2231 C CA B MET A 1 277 ? 42.941 -9.645 -1.385 0.50 15.77 ? 294 MET A CA 1 ATOM 2232 C C A MET A 1 277 ? 41.792 -8.650 -1.548 0.50 19.74 ? 294 MET A C 1 ATOM 2233 C C B MET A 1 277 ? 41.801 -8.646 -1.616 0.50 20.48 ? 294 MET A C 1 ATOM 2234 O O A MET A 1 277 ? 42.026 -7.444 -1.492 0.50 19.09 ? 294 MET A O 1 ATOM 2235 O O B MET A 1 277 ? 42.033 -7.438 -1.690 0.50 19.55 ? 294 MET A O 1 ATOM 2236 C CB A MET A 1 277 ? 43.269 -10.206 -2.792 0.50 24.48 ? 294 MET A CB 1 ATOM 2237 C CB B MET A 1 277 ? 43.494 -10.169 -2.719 0.50 18.35 ? 294 MET A CB 1 ATOM 2238 C CG A MET A 1 277 ? 44.585 -10.924 -2.842 0.50 26.16 ? 294 MET A CG 1 ATOM 2239 C CG B MET A 1 277 ? 43.976 -9.069 -3.656 0.50 19.84 ? 294 MET A CG 1 ATOM 2240 S SD A MET A 1 277 ? 45.090 -11.230 -4.546 0.50 24.09 ? 294 MET A SD 1 ATOM 2241 S SD B MET A 1 277 ? 44.514 -9.679 -5.272 0.50 22.19 ? 294 MET A SD 1 ATOM 2242 C CE A MET A 1 277 ? 45.970 -9.717 -4.936 0.50 27.81 ? 294 MET A CE 1 ATOM 2243 C CE B MET A 1 277 ? 46.181 -10.264 -4.927 0.50 19.17 ? 294 MET A CE 1 ATOM 2244 N N . ASP A 1 278 ? 40.569 -9.145 -1.718 1.00 18.39 ? 295 ASP A N 1 ATOM 2245 C CA . ASP A 1 278 ? 39.411 -8.281 -1.933 1.00 16.74 ? 295 ASP A CA 1 ATOM 2246 C C . ASP A 1 278 ? 39.136 -7.346 -0.749 1.00 15.54 ? 295 ASP A C 1 ATOM 2247 O O . ASP A 1 278 ? 38.620 -6.236 -0.955 1.00 18.63 ? 295 ASP A O 1 ATOM 2248 C CB . ASP A 1 278 ? 38.173 -9.101 -2.197 1.00 14.44 ? 295 ASP A CB 1 ATOM 2249 C CG . ASP A 1 278 ? 38.155 -9.765 -3.559 1.00 27.82 ? 295 ASP A CG 1 ATOM 2250 O OD1 . ASP A 1 278 ? 38.943 -9.398 -4.459 1.00 27.57 ? 295 ASP A OD1 1 ATOM 2251 O OD2 . ASP A 1 278 ? 37.314 -10.675 -3.703 1.00 28.79 ? 295 ASP A OD2 1 ATOM 2252 N N . ILE A 1 279 ? 39.462 -7.789 0.471 1.00 16.17 ? 296 ILE A N 1 ATOM 2253 C CA . ILE A 1 279 ? 39.316 -6.968 1.666 1.00 14.87 ? 296 ILE A CA 1 ATOM 2254 C C . ILE A 1 279 ? 40.357 -5.849 1.648 1.00 13.97 ? 296 ILE A C 1 ATOM 2255 O O . ILE A 1 279 ? 40.050 -4.665 1.799 1.00 16.08 ? 296 ILE A O 1 ATOM 2256 C CB . ILE A 1 279 ? 39.527 -7.801 2.936 1.00 15.29 ? 296 ILE A CB 1 ATOM 2257 C CG1 . ILE A 1 279 ? 38.424 -8.849 3.083 1.00 16.03 ? 296 ILE A CG1 1 ATOM 2258 C CG2 . ILE A 1 279 ? 39.559 -6.895 4.157 1.00 13.31 ? 296 ILE A CG2 1 ATOM 2259 C CD1 . ILE A 1 279 ? 38.678 -9.840 4.240 1.00 16.08 ? 296 ILE A CD1 1 ATOM 2260 N N . LEU A 1 280 ? 41.596 -6.243 1.399 1.00 14.03 ? 297 LEU A N 1 ATOM 2261 C CA . LEU A 1 280 ? 42.728 -5.309 1.486 1.00 14.67 ? 297 LEU A CA 1 ATOM 2262 C C . LEU A 1 280 ? 42.759 -4.310 0.346 1.00 14.06 ? 297 LEU A C 1 ATOM 2263 O O . LEU A 1 280 ? 43.274 -3.208 0.499 1.00 16.06 ? 297 LEU A O 1 ATOM 2264 C CB . LEU A 1 280 ? 44.064 -6.069 1.574 1.00 13.22 ? 297 LEU A CB 1 ATOM 2265 C CG . LEU A 1 280 ? 44.301 -6.849 2.851 1.00 12.79 ? 297 LEU A CG 1 ATOM 2266 C CD1 . LEU A 1 280 ? 45.319 -7.959 2.594 1.00 14.77 ? 297 LEU A CD1 1 ATOM 2267 C CD2 . LEU A 1 280 ? 44.748 -5.873 3.944 1.00 14.71 ? 297 LEU A CD2 1 ATOM 2268 N N . GLN A 1 281 ? 42.188 -4.691 -0.801 1.00 14.09 ? 298 GLN A N 1 ATOM 2269 C CA . GLN A 1 281 ? 42.209 -3.832 -1.995 1.00 15.37 ? 298 GLN A CA 1 ATOM 2270 C C . GLN A 1 281 ? 40.881 -3.113 -2.235 1.00 18.99 ? 298 GLN A C 1 ATOM 2271 O O . GLN A 1 281 ? 40.642 -2.567 -3.328 1.00 20.97 ? 298 GLN A O 1 ATOM 2272 C CB . GLN A 1 281 ? 42.600 -4.662 -3.229 1.00 15.24 ? 298 GLN A CB 1 ATOM 2273 C CG . GLN A 1 281 ? 44.051 -5.162 -3.162 1.00 15.92 ? 298 GLN A CG 1 ATOM 2274 C CD . GLN A 1 281 ? 44.593 -5.664 -4.476 1.00 22.52 ? 298 GLN A CD 1 ATOM 2275 O OE1 . GLN A 1 281 ? 43.916 -5.608 -5.480 1.00 23.87 ? 298 GLN A OE1 1 ATOM 2276 N NE2 . GLN A 1 281 ? 45.818 -6.143 -4.474 1.00 16.84 ? 298 GLN A NE2 1 ATOM 2277 N N . ASN A 1 282 ? 40.018 -3.112 -1.228 1.00 15.81 ? 299 ASN A N 1 ATOM 2278 C CA . ASN A 1 282 ? 38.706 -2.466 -1.318 1.00 15.22 ? 299 ASN A CA 1 ATOM 2279 C C . ASN A 1 282 ? 38.899 -0.963 -1.571 1.00 16.87 ? 299 ASN A C 1 ATOM 2280 O O . ASN A 1 282 ? 39.463 -0.279 -0.729 1.00 16.46 ? 299 ASN A O 1 ATOM 2281 C CB . ASN A 1 282 ? 37.924 -2.713 -0.024 1.00 17.04 ? 299 ASN A CB 1 ATOM 2282 C CG . ASN A 1 282 ? 36.529 -2.121 -0.048 1.00 20.10 ? 299 ASN A CG 1 ATOM 2283 O OD1 . ASN A 1 282 ? 36.348 -0.939 -0.347 1.00 19.14 ? 299 ASN A OD1 1 ATOM 2284 N ND2 . ASN A 1 282 ? 35.513 -2.952 0.284 1.00 18.27 ? 299 ASN A ND2 1 ATOM 2285 N N . PRO A 1 283 ? 38.479 -0.452 -2.755 1.00 16.51 ? 300 PRO A N 1 ATOM 2286 C CA . PRO A 1 283 ? 38.899 0.924 -3.056 1.00 17.67 ? 300 PRO A CA 1 ATOM 2287 C C . PRO A 1 283 ? 38.310 1.977 -2.113 1.00 15.34 ? 300 PRO A C 1 ATOM 2288 O O . PRO A 1 283 ? 38.999 2.923 -1.739 1.00 19.14 ? 300 PRO A O 1 ATOM 2289 C CB . PRO A 1 283 ? 38.379 1.150 -4.485 1.00 22.91 ? 300 PRO A CB 1 ATOM 2290 C CG . PRO A 1 283 ? 38.220 -0.216 -5.066 1.00 23.91 ? 300 PRO A CG 1 ATOM 2291 C CD . PRO A 1 283 ? 37.860 -1.110 -3.926 1.00 20.27 ? 300 PRO A CD 1 ATOM 2292 N N . LEU A 1 284 ? 37.037 1.817 -1.759 1.00 16.96 ? 301 LEU A N 1 ATOM 2293 C CA . LEU A 1 284 ? 36.353 2.787 -0.893 1.00 17.09 ? 301 LEU A CA 1 ATOM 2294 C C . LEU A 1 284 ? 36.947 2.744 0.505 1.00 15.22 ? 301 LEU A C 1 ATOM 2295 O O . LEU A 1 284 ? 37.142 3.780 1.153 1.00 17.82 ? 301 LEU A O 1 ATOM 2296 C CB . LEU A 1 284 ? 34.839 2.549 -0.886 1.00 19.27 ? 301 LEU A CB 1 ATOM 2297 C CG . LEU A 1 284 ? 33.982 3.503 -0.055 1.00 22.30 ? 301 LEU A CG 1 ATOM 2298 C CD1 . LEU A 1 284 ? 34.338 4.986 -0.334 1.00 17.90 ? 301 LEU A CD1 1 ATOM 2299 C CD2 . LEU A 1 284 ? 32.485 3.226 -0.330 1.00 19.22 ? 301 LEU A CD2 1 ATOM 2300 N N . MET A 1 285 ? 37.264 1.540 0.966 1.00 15.11 ? 302 MET A N 1 ATOM 2301 C CA . MET A 1 285 ? 37.907 1.406 2.266 1.00 13.57 ? 302 MET A CA 1 ATOM 2302 C C . MET A 1 285 ? 39.208 2.195 2.304 1.00 15.69 ? 302 MET A C 1 ATOM 2303 O O . MET A 1 285 ? 39.529 2.906 3.274 1.00 16.43 ? 302 MET A O 1 ATOM 2304 C CB . MET A 1 285 ? 38.190 -0.076 2.569 1.00 14.22 ? 302 MET A CB 1 ATOM 2305 C CG . MET A 1 285 ? 38.758 -0.356 3.942 1.00 17.00 ? 302 MET A CG 1 ATOM 2306 S SD . MET A 1 285 ? 37.520 -0.228 5.248 1.00 16.72 ? 302 MET A SD 1 ATOM 2307 C CE . MET A 1 285 ? 36.616 -1.766 5.008 1.00 18.51 ? 302 MET A CE 1 ATOM 2308 N N . ILE A 1 286 ? 40.002 2.027 1.262 1.00 15.21 ? 303 ILE A N 1 ATOM 2309 C CA . ILE A 1 286 ? 41.291 2.700 1.176 1.00 14.75 ? 303 ILE A CA 1 ATOM 2310 C C . ILE A 1 286 ? 41.099 4.214 1.086 1.00 16.48 ? 303 ILE A C 1 ATOM 2311 O O . ILE A 1 286 ? 41.803 4.973 1.745 1.00 16.79 ? 303 ILE A O 1 ATOM 2312 C CB . ILE A 1 286 ? 42.117 2.153 0.005 1.00 15.43 ? 303 ILE A CB 1 ATOM 2313 C CG1 . ILE A 1 286 ? 42.561 0.715 0.306 1.00 15.76 ? 303 ILE A CG1 1 ATOM 2314 C CG2 . ILE A 1 286 ? 43.333 3.048 -0.267 1.00 16.74 ? 303 ILE A CG2 1 ATOM 2315 C CD1 . ILE A 1 286 ? 43.052 -0.016 -0.936 1.00 17.03 ? 303 ILE A CD1 1 ATOM 2316 N N . LYS A 1 287 ? 40.140 4.655 0.288 1.00 16.47 ? 304 LYS A N 1 ATOM 2317 C CA . LYS A 1 287 ? 39.819 6.077 0.191 1.00 16.92 ? 304 LYS A CA 1 ATOM 2318 C C . LYS A 1 287 ? 39.523 6.648 1.578 1.00 19.51 ? 304 LYS A C 1 ATOM 2319 O O . LYS A 1 287 ? 39.993 7.729 1.945 1.00 19.50 ? 304 LYS A O 1 ATOM 2320 C CB . LYS A 1 287 ? 38.614 6.288 -0.726 1.00 20.91 ? 304 LYS A CB 1 ATOM 2321 C CG . LYS A 1 287 ? 38.074 7.715 -0.791 1.00 28.50 ? 304 LYS A CG 1 ATOM 2322 C CD . LYS A 1 287 ? 36.859 7.789 -1.696 1.00 32.75 ? 304 LYS A CD 1 ATOM 2323 C CE . LYS A 1 287 ? 36.054 9.054 -1.444 1.00 43.20 ? 304 LYS A CE 1 ATOM 2324 N NZ . LYS A 1 287 ? 34.766 8.996 -2.188 1.00 59.42 ? 304 LYS A NZ 1 ATOM 2325 N N . ILE A 1 288 ? 38.738 5.915 2.351 1.00 18.08 ? 305 ILE A N 1 ATOM 2326 C CA . ILE A 1 288 ? 38.414 6.354 3.705 1.00 16.17 ? 305 ILE A CA 1 ATOM 2327 C C . ILE A 1 288 ? 39.673 6.379 4.591 1.00 18.07 ? 305 ILE A C 1 ATOM 2328 O O . ILE A 1 288 ? 39.926 7.367 5.270 1.00 16.93 ? 305 ILE A O 1 ATOM 2329 C CB . ILE A 1 288 ? 37.317 5.470 4.328 1.00 16.61 ? 305 ILE A CB 1 ATOM 2330 C CG1 . ILE A 1 288 ? 35.990 5.653 3.586 1.00 20.20 ? 305 ILE A CG1 1 ATOM 2331 C CG2 . ILE A 1 288 ? 37.159 5.770 5.843 1.00 15.97 ? 305 ILE A CG2 1 ATOM 2332 C CD1 . ILE A 1 288 ? 34.971 4.553 3.850 1.00 21.17 ? 305 ILE A CD1 1 ATOM 2333 N N . ASN A 1 289 ? 40.471 5.314 4.588 1.00 15.45 ? 306 ASN A N 1 ATOM 2334 C CA . ASN A 1 289 ? 41.695 5.302 5.390 1.00 16.63 ? 306 ASN A CA 1 ATOM 2335 C C . ASN A 1 289 ? 42.584 6.492 5.054 1.00 16.33 ? 306 ASN A C 1 ATOM 2336 O O . ASN A 1 289 ? 43.144 7.123 5.961 1.00 16.37 ? 306 ASN A O 1 ATOM 2337 C CB . ASN A 1 289 ? 42.486 4.013 5.193 1.00 16.20 ? 306 ASN A CB 1 ATOM 2338 C CG . ASN A 1 289 ? 43.781 4.026 5.957 1.00 18.33 ? 306 ASN A CG 1 ATOM 2339 O OD1 . ASN A 1 289 ? 44.810 4.413 5.431 1.00 16.37 ? 306 ASN A OD1 1 ATOM 2340 N ND2 . ASN A 1 289 ? 43.730 3.644 7.224 1.00 18.77 ? 306 ASN A ND2 1 ATOM 2341 N N . GLN A 1 290 ? 42.665 6.800 3.759 1.00 16.33 ? 307 GLN A N 1 ATOM 2342 C CA . GLN A 1 290 ? 43.549 7.828 3.208 1.00 15.98 ? 307 GLN A CA 1 ATOM 2343 C C . GLN A 1 290 ? 42.911 9.201 3.141 1.00 16.30 ? 307 GLN A C 1 ATOM 2344 O O . GLN A 1 290 ? 43.443 10.099 2.464 1.00 20.13 ? 307 GLN A O 1 ATOM 2345 C CB . GLN A 1 290 ? 44.012 7.403 1.809 1.00 16.81 ? 307 GLN A CB 1 ATOM 2346 C CG . GLN A 1 290 ? 44.811 6.118 1.835 1.00 15.94 ? 307 GLN A CG 1 ATOM 2347 C CD . GLN A 1 290 ? 46.196 6.342 2.387 1.00 16.40 ? 307 GLN A CD 1 ATOM 2348 O OE1 . GLN A 1 290 ? 47.027 7.010 1.741 1.00 19.03 ? 307 GLN A OE1 1 ATOM 2349 N NE2 . GLN A 1 290 ? 46.450 5.835 3.591 1.00 15.99 ? 307 GLN A NE2 1 ATOM 2350 N N . ASP A 1 291 ? 41.807 9.402 3.859 1.00 17.91 ? 308 ASP A N 1 ATOM 2351 C CA . ASP A 1 291 ? 41.089 10.685 3.776 1.00 20.62 ? 308 ASP A CA 1 ATOM 2352 C C . ASP A 1 291 ? 42.030 11.848 4.113 1.00 18.86 ? 308 ASP A C 1 ATOM 2353 O O . ASP A 1 291 ? 42.779 11.783 5.087 1.00 19.58 ? 308 ASP A O 1 ATOM 2354 C CB . ASP A 1 291 ? 39.907 10.711 4.726 1.00 19.31 ? 308 ASP A CB 1 ATOM 2355 C CG . ASP A 1 291 ? 39.183 12.022 4.672 1.00 18.61 ? 308 ASP A CG 1 ATOM 2356 O OD1 . ASP A 1 291 ? 38.373 12.178 3.741 1.00 23.14 ? 308 ASP A OD1 1 ATOM 2357 O OD2 . ASP A 1 291 ? 39.441 12.879 5.537 1.00 21.83 ? 308 ASP A OD2 1 ATOM 2358 N N . PRO A 1 292 ? 42.029 12.905 3.292 1.00 20.83 ? 309 PRO A N 1 ATOM 2359 C CA . PRO A 1 292 ? 43.050 13.937 3.509 1.00 21.97 ? 309 PRO A CA 1 ATOM 2360 C C . PRO A 1 292 ? 42.974 14.704 4.848 1.00 20.50 ? 309 PRO A C 1 ATOM 2361 O O . PRO A 1 292 ? 43.972 15.263 5.277 1.00 22.65 ? 309 PRO A O 1 ATOM 2362 C CB . PRO A 1 292 ? 42.853 14.894 2.329 1.00 23.73 ? 309 PRO A CB 1 ATOM 2363 C CG . PRO A 1 292 ? 42.023 14.183 1.338 1.00 31.09 ? 309 PRO A CG 1 ATOM 2364 C CD . PRO A 1 292 ? 41.349 13.025 1.990 1.00 21.37 ? 309 PRO A CD 1 ATOM 2365 N N . LEU A 1 293 ? 41.816 14.740 5.504 1.00 22.71 ? 310 LEU A N 1 ATOM 2366 C CA . LEU A 1 293 ? 41.736 15.461 6.780 1.00 23.24 ? 310 LEU A CA 1 ATOM 2367 C C . LEU A 1 293 ? 42.510 14.733 7.868 1.00 21.31 ? 310 LEU A C 1 ATOM 2368 O O . LEU A 1 293 ? 42.933 15.339 8.844 1.00 22.28 ? 310 LEU A O 1 ATOM 2369 C CB . LEU A 1 293 ? 40.284 15.691 7.214 1.00 23.61 ? 310 LEU A CB 1 ATOM 2370 C CG . LEU A 1 293 ? 39.398 16.513 6.286 1.00 28.86 ? 310 LEU A CG 1 ATOM 2371 C CD1 . LEU A 1 293 ? 38.010 16.641 6.914 1.00 26.86 ? 310 LEU A CD1 1 ATOM 2372 C CD2 . LEU A 1 293 ? 40.010 17.880 6.006 1.00 27.56 ? 310 LEU A CD2 1 ATOM 2373 N N . GLY A 1 294 ? 42.669 13.419 7.721 1.00 21.79 ? 311 GLY A N 1 ATOM 2374 C CA . GLY A 1 294 ? 43.450 12.648 8.688 1.00 18.83 ? 311 GLY A CA 1 ATOM 2375 C C . GLY A 1 294 ? 42.938 12.716 10.119 1.00 24.03 ? 311 GLY A C 1 ATOM 2376 O O . GLY A 1 294 ? 43.733 12.740 11.065 1.00 23.17 ? 311 GLY A O 1 ATOM 2377 N N . ILE A 1 295 ? 41.617 12.735 10.278 1.00 18.88 ? 312 ILE A N 1 ATOM 2378 C CA . ILE A 1 295 ? 40.974 12.780 11.591 1.00 17.75 ? 312 ILE A CA 1 ATOM 2379 C C . ILE A 1 295 ? 40.674 11.355 12.050 1.00 18.39 ? 312 ILE A C 1 ATOM 2380 O O . ILE A 1 295 ? 39.900 10.643 11.417 1.00 18.12 ? 312 ILE A O 1 ATOM 2381 C CB . ILE A 1 295 ? 39.665 13.580 11.560 1.00 20.82 ? 312 ILE A CB 1 ATOM 2382 C CG1 . ILE A 1 295 ? 39.937 15.015 11.085 1.00 25.09 ? 312 ILE A CG1 1 ATOM 2383 C CG2 . ILE A 1 295 ? 38.996 13.568 12.944 1.00 21.87 ? 312 ILE A CG2 1 ATOM 2384 C CD1 . ILE A 1 295 ? 38.666 15.802 10.740 1.00 24.06 ? 312 ILE A CD1 1 ATOM 2385 N N . GLN A 1 296 ? 41.318 10.941 13.128 1.00 17.48 ? 313 GLN A N 1 ATOM 2386 C CA . GLN A 1 296 ? 41.094 9.618 13.698 1.00 17.32 ? 313 GLN A CA 1 ATOM 2387 C C . GLN A 1 296 ? 39.662 9.544 14.230 1.00 17.67 ? 313 GLN A C 1 ATOM 2388 O O . GLN A 1 296 ? 39.171 10.497 14.834 1.00 17.90 ? 313 GLN A O 1 ATOM 2389 C CB . GLN A 1 296 ? 42.105 9.336 14.818 1.00 17.20 ? 313 GLN A CB 1 ATOM 2390 C CG . GLN A 1 296 ? 41.920 7.983 15.520 1.00 15.77 ? 313 GLN A CG 1 ATOM 2391 C CD . GLN A 1 296 ? 43.119 7.582 16.353 1.00 16.88 ? 313 GLN A CD 1 ATOM 2392 O OE1 . GLN A 1 296 ? 44.253 7.796 15.955 1.00 17.22 ? 313 GLN A OE1 1 ATOM 2393 N NE2 . GLN A 1 296 ? 42.871 6.966 17.501 1.00 20.57 ? 313 GLN A NE2 1 ATOM 2394 N N . GLY A 1 297 ? 38.996 8.427 13.963 1.00 17.11 ? 314 GLY A N 1 ATOM 2395 C CA . GLY A 1 297 ? 37.672 8.176 14.516 1.00 18.92 ? 314 GLY A CA 1 ATOM 2396 C C . GLY A 1 297 ? 37.651 7.785 15.991 1.00 15.76 ? 314 GLY A C 1 ATOM 2397 O O . GLY A 1 297 ? 38.687 7.703 16.667 1.00 19.96 ? 314 GLY A O 1 ATOM 2398 N N A ARG A 1 298 ? 36.445 7.552 16.502 0.50 19.01 ? 315 ARG A N 1 ATOM 2399 N N B ARG A 1 298 ? 36.432 7.526 16.464 0.50 18.25 ? 315 ARG A N 1 ATOM 2400 C CA A ARG A 1 298 ? 36.260 7.108 17.882 0.50 18.57 ? 315 ARG A CA 1 ATOM 2401 C CA B ARG A 1 298 ? 36.131 7.244 17.867 0.50 17.61 ? 315 ARG A CA 1 ATOM 2402 C C A ARG A 1 298 ? 35.033 6.226 17.956 0.50 19.91 ? 315 ARG A C 1 ATOM 2403 C C B ARG A 1 298 ? 35.039 6.182 17.917 0.50 19.62 ? 315 ARG A C 1 ATOM 2404 O O A ARG A 1 298 ? 34.155 6.285 17.092 0.50 18.06 ? 315 ARG A O 1 ATOM 2405 O O B ARG A 1 298 ? 34.279 6.044 16.958 0.50 19.43 ? 315 ARG A O 1 ATOM 2406 C CB A ARG A 1 298 ? 36.039 8.292 18.827 0.50 27.40 ? 315 ARG A CB 1 ATOM 2407 C CB B ARG A 1 298 ? 35.609 8.516 18.553 0.50 17.56 ? 315 ARG A CB 1 ATOM 2408 C CG A ARG A 1 298 ? 36.120 9.640 18.163 0.50 37.24 ? 315 ARG A CG 1 ATOM 2409 C CG B ARG A 1 298 ? 36.688 9.547 18.851 0.50 17.85 ? 315 ARG A CG 1 ATOM 2410 C CD A ARG A 1 298 ? 35.607 10.758 19.059 0.50 29.98 ? 315 ARG A CD 1 ATOM 2411 C CD B ARG A 1 298 ? 36.128 10.773 19.549 0.50 28.05 ? 315 ARG A CD 1 ATOM 2412 N NE A ARG A 1 298 ? 36.528 11.001 20.158 0.50 48.21 ? 315 ARG A NE 1 ATOM 2413 N NE B ARG A 1 298 ? 34.983 10.457 20.392 0.50 22.20 ? 315 ARG A NE 1 ATOM 2414 C CZ A ARG A 1 298 ? 36.346 10.548 21.391 0.50 38.92 ? 315 ARG A CZ 1 ATOM 2415 C CZ B ARG A 1 298 ? 34.987 10.445 21.721 0.50 45.31 ? 315 ARG A CZ 1 ATOM 2416 N NH1 A ARG A 1 298 ? 35.260 9.848 21.689 0.50 56.15 ? 315 ARG A NH1 1 ATOM 2417 N NH1 B ARG A 1 298 ? 36.096 10.726 22.392 0.50 51.18 ? 315 ARG A NH1 1 ATOM 2418 N NH2 A ARG A 1 298 ? 37.251 10.796 22.322 0.50 18.28 ? 315 ARG A NH2 1 ATOM 2419 N NH2 B ARG A 1 298 ? 33.873 10.149 22.384 0.50 33.14 ? 315 ARG A NH2 1 ATOM 2420 N N . ARG A 1 299 ? 34.966 5.431 19.014 1.00 16.88 ? 316 ARG A N 1 ATOM 2421 C CA . ARG A 1 299 ? 33.743 4.693 19.339 1.00 17.00 ? 316 ARG A CA 1 ATOM 2422 C C . ARG A 1 299 ? 32.770 5.740 19.875 1.00 21.28 ? 316 ARG A C 1 ATOM 2423 O O . ARG A 1 299 ? 33.085 6.448 20.832 1.00 21.96 ? 316 ARG A O 1 ATOM 2424 C CB . ARG A 1 299 ? 33.968 3.613 20.381 1.00 18.98 ? 316 ARG A CB 1 ATOM 2425 C CG . ARG A 1 299 ? 32.713 2.740 20.579 1.00 22.88 ? 316 ARG A CG 1 ATOM 2426 C CD . ARG A 1 299 ? 32.912 1.624 21.546 1.00 22.55 ? 316 ARG A CD 1 ATOM 2427 N NE . ARG A 1 299 ? 33.049 2.124 22.894 1.00 21.70 ? 316 ARG A NE 1 ATOM 2428 C CZ . ARG A 1 299 ? 33.399 1.391 23.950 1.00 26.70 ? 316 ARG A CZ 1 ATOM 2429 N NH1 . ARG A 1 299 ? 33.673 0.100 23.834 1.00 29.96 ? 316 ARG A NH1 1 ATOM 2430 N NH2 . ARG A 1 299 ? 33.499 1.977 25.132 1.00 33.00 ? 316 ARG A NH2 1 ATOM 2431 N N . ILE A 1 300 ? 31.593 5.836 19.263 1.00 19.80 ? 317 ILE A N 1 ATOM 2432 C CA . ILE A 1 300 ? 30.577 6.802 19.695 1.00 21.49 ? 317 ILE A CA 1 ATOM 2433 C C . ILE A 1 300 ? 29.420 6.179 20.485 1.00 26.04 ? 317 ILE A C 1 ATOM 2434 O O . ILE A 1 300 ? 28.734 6.891 21.220 1.00 29.43 ? 317 ILE A O 1 ATOM 2435 C CB . ILE A 1 300 ? 30.032 7.653 18.511 1.00 21.83 ? 317 ILE A CB 1 ATOM 2436 C CG1 . ILE A 1 300 ? 29.363 6.785 17.442 1.00 23.52 ? 317 ILE A CG1 1 ATOM 2437 C CG2 . ILE A 1 300 ? 31.147 8.516 17.929 1.00 22.55 ? 317 ILE A CG2 1 ATOM 2438 C CD1 . ILE A 1 300 ? 28.434 7.582 16.482 1.00 25.41 ? 317 ILE A CD1 1 ATOM 2439 N N . HIS A 1 301 ? 29.203 4.873 20.337 1.00 22.58 ? 318 HIS A N 1 ATOM 2440 C CA . HIS A 1 301 ? 28.116 4.180 21.051 1.00 26.19 ? 318 HIS A CA 1 ATOM 2441 C C . HIS A 1 301 ? 28.513 2.759 21.392 1.00 23.00 ? 318 HIS A C 1 ATOM 2442 O O . HIS A 1 301 ? 29.176 2.084 20.596 1.00 21.66 ? 318 HIS A O 1 ATOM 2443 C CB . HIS A 1 301 ? 26.851 4.117 20.185 1.00 35.38 ? 318 HIS A CB 1 ATOM 2444 C CG . HIS A 1 301 ? 25.887 5.234 20.419 1.00 58.39 ? 318 HIS A CG 1 ATOM 2445 N ND1 . HIS A 1 301 ? 24.749 5.084 21.181 1.00 81.47 ? 318 HIS A ND1 1 ATOM 2446 C CD2 . HIS A 1 301 ? 25.879 6.513 19.974 1.00 73.77 ? 318 HIS A CD2 1 ATOM 2447 C CE1 . HIS A 1 301 ? 24.087 6.227 21.204 1.00 86.61 ? 318 HIS A CE1 1 ATOM 2448 N NE2 . HIS A 1 301 ? 24.751 7.110 20.480 1.00 78.52 ? 318 HIS A NE2 1 ATOM 2449 N N . LYS A 1 302 ? 28.089 2.295 22.565 1.00 26.81 ? 319 LYS A N 1 ATOM 2450 C CA . LYS A 1 302 ? 28.246 0.898 22.975 1.00 25.39 ? 319 LYS A CA 1 ATOM 2451 C C . LYS A 1 302 ? 26.930 0.490 23.638 1.00 31.87 ? 319 LYS A C 1 ATOM 2452 O O . LYS A 1 302 ? 26.483 1.142 24.576 1.00 38.86 ? 319 LYS A O 1 ATOM 2453 C CB . LYS A 1 302 ? 29.406 0.719 23.956 1.00 31.65 ? 319 LYS A CB 1 ATOM 2454 C CG . LYS A 1 302 ? 29.721 -0.745 24.294 1.00 52.06 ? 319 LYS A CG 1 ATOM 2455 C CD . LYS A 1 302 ? 30.614 -0.861 25.525 1.00 65.05 ? 319 LYS A CD 1 ATOM 2456 C CE . LYS A 1 302 ? 30.862 -2.317 25.911 1.00 71.80 ? 319 LYS A CE 1 ATOM 2457 N NZ . LYS A 1 302 ? 31.774 -2.422 27.083 1.00 72.92 ? 319 LYS A NZ 1 ATOM 2458 N N . GLU A 1 303 ? 26.304 -0.564 23.129 1.00 30.48 ? 320 GLU A N 1 ATOM 2459 C CA . GLU A 1 303 ? 24.947 -0.936 23.556 1.00 30.17 ? 320 GLU A CA 1 ATOM 2460 C C . GLU A 1 303 ? 24.997 -2.219 24.383 1.00 29.74 ? 320 GLU A C 1 ATOM 2461 O O . GLU A 1 303 ? 25.911 -3.027 24.232 1.00 29.46 ? 320 GLU A O 1 ATOM 2462 C CB . GLU A 1 303 ? 24.045 -1.162 22.326 1.00 32.46 ? 320 GLU A CB 1 ATOM 2463 C CG . GLU A 1 303 ? 24.314 -0.253 21.116 1.00 45.61 ? 320 GLU A CG 1 ATOM 2464 C CD . GLU A 1 303 ? 23.374 0.938 21.023 1.00 63.83 ? 320 GLU A CD 1 ATOM 2465 O OE1 . GLU A 1 303 ? 22.165 0.751 21.272 1.00 60.92 ? 320 GLU A OE1 1 ATOM 2466 O OE2 . GLU A 1 303 ? 23.842 2.051 20.675 1.00 61.27 ? 320 GLU A OE2 1 ATOM 2467 N N . LYS A 1 304 ? 24.017 -2.404 25.262 1.00 32.79 ? 321 LYS A N 1 ATOM 2468 C CA . LYS A 1 304 ? 23.866 -3.665 26.000 1.00 34.28 ? 321 LYS A CA 1 ATOM 2469 C C . LYS A 1 304 ? 23.765 -4.903 25.078 1.00 30.44 ? 321 LYS A C 1 ATOM 2470 O O . LYS A 1 304 ? 24.104 -6.009 25.488 1.00 31.69 ? 321 LYS A O 1 ATOM 2471 C CB . LYS A 1 304 ? 22.661 -3.600 26.972 1.00 44.55 ? 321 LYS A CB 1 ATOM 2472 C CG . LYS A 1 304 ? 21.291 -3.928 26.359 1.00 62.78 ? 321 LYS A CG 1 ATOM 2473 C CD . LYS A 1 304 ? 20.865 -2.909 25.301 1.00 69.88 ? 321 LYS A CD 1 ATOM 2474 C CE . LYS A 1 304 ? 20.260 -3.546 24.062 1.00 70.83 ? 321 LYS A CE 1 ATOM 2475 N NZ . LYS A 1 304 ? 20.586 -2.711 22.870 1.00 52.35 ? 321 LYS A NZ 1 ATOM 2476 N N . SER A 1 305 ? 23.322 -4.707 23.836 1.00 30.45 ? 322 SER A N 1 ATOM 2477 C CA . SER A 1 305 ? 23.274 -5.788 22.843 1.00 26.81 ? 322 SER A CA 1 ATOM 2478 C C . SER A 1 305 ? 24.673 -6.221 22.379 1.00 28.42 ? 322 SER A C 1 ATOM 2479 O O . SER A 1 305 ? 24.798 -7.169 21.603 1.00 27.23 ? 322 SER A O 1 ATOM 2480 C CB . SER A 1 305 ? 22.470 -5.349 21.626 1.00 28.71 ? 322 SER A CB 1 ATOM 2481 O OG . SER A 1 305 ? 23.094 -4.257 20.959 1.00 29.93 ? 322 SER A OG 1 ATOM 2482 N N . LEU A 1 306 ? 25.703 -5.508 22.847 1.00 23.60 ? 323 LEU A N 1 ATOM 2483 C CA . LEU A 1 306 ? 27.111 -5.724 22.491 1.00 23.56 ? 323 LEU A CA 1 ATOM 2484 C C . LEU A 1 306 ? 27.437 -5.265 21.064 1.00 21.91 ? 323 LEU A C 1 ATOM 2485 O O . LEU A 1 306 ? 28.463 -5.656 20.502 1.00 21.96 ? 323 LEU A O 1 ATOM 2486 C CB . LEU A 1 306 ? 27.557 -7.187 22.708 1.00 26.03 ? 323 LEU A CB 1 ATOM 2487 C CG . LEU A 1 306 ? 27.274 -7.801 24.077 1.00 32.62 ? 323 LEU A CG 1 ATOM 2488 C CD1 . LEU A 1 306 ? 27.940 -9.190 24.188 1.00 32.14 ? 323 LEU A CD1 1 ATOM 2489 C CD2 . LEU A 1 306 ? 27.751 -6.870 25.207 1.00 36.14 ? 323 LEU A CD2 1 ATOM 2490 N N . ILE A 1 307 ? 26.571 -4.428 20.480 1.00 19.50 ? 324 ILE A N 1 ATOM 2491 C CA . ILE A 1 307 ? 26.895 -3.726 19.262 1.00 20.65 ? 324 ILE A CA 1 ATOM 2492 C C . ILE A 1 307 ? 27.579 -2.407 19.614 1.00 21.27 ? 324 ILE A C 1 ATOM 2493 O O . ILE A 1 307 ? 27.117 -1.675 20.495 1.00 23.29 ? 324 ILE A O 1 ATOM 2494 C CB . ILE A 1 307 ? 25.631 -3.452 18.433 1.00 20.00 ? 324 ILE A CB 1 ATOM 2495 C CG1 . ILE A 1 307 ? 24.884 -4.771 18.154 1.00 21.69 ? 324 ILE A CG1 1 ATOM 2496 C CG2 . ILE A 1 307 ? 25.990 -2.681 17.148 1.00 19.82 ? 324 ILE A CG2 1 ATOM 2497 C CD1 . ILE A 1 307 ? 25.707 -5.872 17.485 1.00 22.01 ? 324 ILE A CD1 1 ATOM 2498 N N . GLU A 1 308 ? 28.694 -2.128 18.946 1.00 19.14 ? 325 GLU A N 1 ATOM 2499 C CA . GLU A 1 308 ? 29.419 -0.870 19.106 1.00 17.93 ? 325 GLU A CA 1 ATOM 2500 C C . GLU A 1 308 ? 29.359 -0.120 17.806 1.00 18.04 ? 325 GLU A C 1 ATOM 2501 O O . GLU A 1 308 ? 29.306 -0.735 16.742 1.00 20.44 ? 325 GLU A O 1 ATOM 2502 C CB . GLU A 1 308 ? 30.874 -1.138 19.482 1.00 23.11 ? 325 GLU A CB 1 ATOM 2503 C CG . GLU A 1 308 ? 30.987 -1.972 20.712 1.00 25.34 ? 325 GLU A CG 1 ATOM 2504 C CD . GLU A 1 308 ? 32.407 -2.130 21.207 1.00 31.60 ? 325 GLU A CD 1 ATOM 2505 O OE1 . GLU A 1 308 ? 33.344 -1.863 20.436 1.00 29.18 ? 325 GLU A OE1 1 ATOM 2506 O OE2 . GLU A 1 308 ? 32.572 -2.584 22.354 1.00 43.20 ? 325 GLU A OE2 1 ATOM 2507 N N . VAL A 1 309 ? 29.347 1.209 17.880 1.00 16.64 ? 326 VAL A N 1 ATOM 2508 C CA . VAL A 1 309 ? 29.340 2.038 16.689 1.00 16.82 ? 326 VAL A CA 1 ATOM 2509 C C . VAL A 1 309 ? 30.539 2.970 16.766 1.00 20.32 ? 326 VAL A C 1 ATOM 2510 O O . VAL A 1 309 ? 30.753 3.633 17.788 1.00 18.73 ? 326 VAL A O 1 ATOM 2511 C CB . VAL A 1 309 ? 28.055 2.874 16.537 1.00 18.11 ? 326 VAL A CB 1 ATOM 2512 C CG1 . VAL A 1 309 ? 28.090 3.642 15.223 1.00 19.65 ? 326 VAL A CG1 1 ATOM 2513 C CG2 . VAL A 1 309 ? 26.801 1.989 16.612 1.00 20.96 ? 326 VAL A CG2 1 ATOM 2514 N N . TYR A 1 310 ? 31.323 2.970 15.696 1.00 19.02 ? 327 TYR A N 1 ATOM 2515 C CA . TYR A 1 310 ? 32.442 3.875 15.505 1.00 15.25 ? 327 TYR A CA 1 ATOM 2516 C C . TYR A 1 310 ? 32.106 4.868 14.413 1.00 17.37 ? 327 TYR A C 1 ATOM 2517 O O . TYR A 1 310 ? 31.411 4.528 13.458 1.00 18.27 ? 327 TYR A O 1 ATOM 2518 C CB . TYR A 1 310 ? 33.672 3.095 15.073 1.00 17.02 ? 327 TYR A CB 1 ATOM 2519 C CG . TYR A 1 310 ? 34.268 2.259 16.176 1.00 15.86 ? 327 TYR A CG 1 ATOM 2520 C CD1 . TYR A 1 310 ? 33.658 1.078 16.569 1.00 19.27 ? 327 TYR A CD1 1 ATOM 2521 C CD2 . TYR A 1 310 ? 35.441 2.644 16.798 1.00 22.25 ? 327 TYR A CD2 1 ATOM 2522 C CE1 . TYR A 1 310 ? 34.210 0.291 17.574 1.00 22.72 ? 327 TYR A CE1 1 ATOM 2523 C CE2 . TYR A 1 310 ? 35.985 1.881 17.796 1.00 26.30 ? 327 TYR A CE2 1 ATOM 2524 C CZ . TYR A 1 310 ? 35.359 0.718 18.181 1.00 22.62 ? 327 TYR A CZ 1 ATOM 2525 O OH . TYR A 1 310 ? 35.935 -0.039 19.181 1.00 36.55 ? 327 TYR A OH 1 ATOM 2526 N N . MET A 1 311 ? 32.641 6.076 14.522 1.00 16.64 ? 328 MET A N 1 ATOM 2527 C CA . MET A 1 311 ? 32.435 7.108 13.511 1.00 18.82 ? 328 MET A CA 1 ATOM 2528 C C . MET A 1 311 ? 33.750 7.818 13.226 1.00 19.91 ? 328 MET A C 1 ATOM 2529 O O . MET A 1 311 ? 34.454 8.193 14.148 1.00 18.14 ? 328 MET A O 1 ATOM 2530 C CB . MET A 1 311 ? 31.385 8.120 13.985 1.00 17.78 ? 328 MET A CB 1 ATOM 2531 C CG . MET A 1 311 ? 30.885 9.081 12.903 1.00 20.30 ? 328 MET A CG 1 ATOM 2532 S SD . MET A 1 311 ? 31.966 10.499 12.664 1.00 28.12 ? 328 MET A SD 1 ATOM 2533 C CE . MET A 1 311 ? 31.675 11.412 14.183 1.00 35.05 ? 328 MET A CE 1 ATOM 2534 N N . ARG A 1 312 ? 34.064 8.004 11.945 1.00 19.06 ? 329 ARG A N 1 ATOM 2535 C CA . ARG A 1 312 ? 35.208 8.823 11.543 1.00 19.32 ? 329 ARG A CA 1 ATOM 2536 C C . ARG A 1 312 ? 34.748 9.964 10.645 1.00 18.53 ? 329 ARG A C 1 ATOM 2537 O O . ARG A 1 312 ? 34.108 9.710 9.628 1.00 20.76 ? 329 ARG A O 1 ATOM 2538 C CB . ARG A 1 312 ? 36.236 7.994 10.792 1.00 20.38 ? 329 ARG A CB 1 ATOM 2539 C CG . ARG A 1 312 ? 37.467 8.764 10.517 1.00 20.24 ? 329 ARG A CG 1 ATOM 2540 C CD . ARG A 1 312 ? 38.528 7.978 9.783 1.00 17.69 ? 329 ARG A CD 1 ATOM 2541 N NE . ARG A 1 312 ? 39.520 8.914 9.304 1.00 19.02 ? 329 ARG A NE 1 ATOM 2542 C CZ . ARG A 1 312 ? 40.594 8.638 8.578 1.00 23.03 ? 329 ARG A CZ 1 ATOM 2543 N NH1 . ARG A 1 312 ? 40.905 7.382 8.217 1.00 18.23 ? 329 ARG A NH1 1 ATOM 2544 N NH2 . ARG A 1 312 ? 41.376 9.659 8.220 1.00 21.80 ? 329 ARG A NH2 1 ATOM 2545 N N . PRO A 1 313 ? 35.098 11.210 10.993 1.00 18.60 ? 330 PRO A N 1 ATOM 2546 C CA . PRO A 1 313 ? 34.779 12.343 10.098 1.00 18.79 ? 330 PRO A CA 1 ATOM 2547 C C . PRO A 1 313 ? 35.687 12.358 8.881 1.00 18.78 ? 330 PRO A C 1 ATOM 2548 O O . PRO A 1 313 ? 36.868 12.051 9.002 1.00 20.54 ? 330 PRO A O 1 ATOM 2549 C CB . PRO A 1 313 ? 35.059 13.581 10.960 1.00 22.67 ? 330 PRO A CB 1 ATOM 2550 C CG . PRO A 1 313 ? 35.370 13.091 12.315 1.00 30.23 ? 330 PRO A CG 1 ATOM 2551 C CD . PRO A 1 313 ? 35.681 11.655 12.271 1.00 20.37 ? 330 PRO A CD 1 ATOM 2552 N N . LEU A 1 314 ? 35.141 12.713 7.724 1.00 19.81 ? 331 LEU A N 1 ATOM 2553 C CA . LEU A 1 314 ? 35.860 12.662 6.472 1.00 18.55 ? 331 LEU A CA 1 ATOM 2554 C C . LEU A 1 314 ? 35.699 13.982 5.706 1.00 21.54 ? 331 LEU A C 1 ATOM 2555 O O . LEU A 1 314 ? 34.936 14.875 6.114 1.00 22.44 ? 331 LEU A O 1 ATOM 2556 C CB . LEU A 1 314 ? 35.369 11.497 5.597 1.00 20.55 ? 331 LEU A CB 1 ATOM 2557 C CG . LEU A 1 314 ? 35.426 10.092 6.232 1.00 17.37 ? 331 LEU A CG 1 ATOM 2558 C CD1 . LEU A 1 314 ? 34.753 9.090 5.296 1.00 19.07 ? 331 LEU A CD1 1 ATOM 2559 C CD2 . LEU A 1 314 ? 36.880 9.648 6.524 1.00 18.56 ? 331 LEU A CD2 1 ATOM 2560 N N A SER A 1 315 ? 36.434 14.112 4.608 0.50 22.65 ? 332 SER A N 1 ATOM 2561 N N B SER A 1 315 ? 36.414 14.072 4.589 0.50 19.85 ? 332 SER A N 1 ATOM 2562 C CA A SER A 1 315 ? 36.381 15.323 3.805 0.50 26.19 ? 332 SER A CA 1 ATOM 2563 C CA B SER A 1 315 ? 36.355 15.220 3.702 0.50 19.42 ? 332 SER A CA 1 ATOM 2564 C C A SER A 1 315 ? 35.039 15.438 3.073 0.50 26.99 ? 332 SER A C 1 ATOM 2565 C C B SER A 1 315 ? 34.966 15.431 3.110 0.50 22.52 ? 332 SER A C 1 ATOM 2566 O O A SER A 1 315 ? 34.333 14.443 2.869 0.50 28.29 ? 332 SER A O 1 ATOM 2567 O O B SER A 1 315 ? 34.154 14.498 3.028 0.50 20.99 ? 332 SER A O 1 ATOM 2568 C CB A SER A 1 315 ? 37.549 15.363 2.813 0.50 32.57 ? 332 SER A CB 1 ATOM 2569 C CB B SER A 1 315 ? 37.343 15.022 2.556 0.50 21.06 ? 332 SER A CB 1 ATOM 2570 O OG A SER A 1 315 ? 37.674 14.144 2.105 0.50 32.35 ? 332 SER A OG 1 ATOM 2571 O OG B SER A 1 315 ? 38.668 15.085 3.032 0.50 23.61 ? 332 SER A OG 1 ATOM 2572 N N . ASN A 1 316 ? 34.694 16.664 2.701 1.00 24.69 ? 333 ASN A N 1 ATOM 2573 C CA . ASN A 1 316 ? 33.474 16.946 1.935 1.00 25.25 ? 333 ASN A CA 1 ATOM 2574 C C . ASN A 1 316 ? 32.202 16.567 2.707 1.00 24.96 ? 333 ASN A C 1 ATOM 2575 O O . ASN A 1 316 ? 31.228 16.074 2.127 1.00 27.28 ? 333 ASN A O 1 ATOM 2576 C CB . ASN A 1 316 ? 33.560 16.168 0.615 1.00 35.55 ? 333 ASN A CB 1 ATOM 2577 C CG . ASN A 1 316 ? 33.179 16.978 -0.559 1.00 48.13 ? 333 ASN A CG 1 ATOM 2578 O OD1 . ASN A 1 316 ? 33.774 18.024 -0.817 1.00 68.98 ? 333 ASN A OD1 1 ATOM 2579 N ND2 . ASN A 1 316 ? 32.213 16.485 -1.323 1.00 48.46 ? 333 ASN A ND2 1 ATOM 2580 N N . LYS A 1 317 ? 32.227 16.799 4.026 1.00 23.39 ? 334 LYS A N 1 ATOM 2581 C CA . LYS A 1 317 ? 31.097 16.593 4.919 1.00 24.66 ? 334 LYS A CA 1 ATOM 2582 C C . LYS A 1 317 ? 30.669 15.127 5.076 1.00 23.17 ? 334 LYS A C 1 ATOM 2583 O O . LYS A 1 317 ? 29.628 14.844 5.666 1.00 27.56 ? 334 LYS A O 1 ATOM 2584 C CB . LYS A 1 317 ? 29.906 17.482 4.502 1.00 29.84 ? 334 LYS A CB 1 ATOM 2585 C CG . LYS A 1 317 ? 30.298 18.938 4.244 1.00 33.39 ? 334 LYS A CG 1 ATOM 2586 C CD . LYS A 1 317 ? 29.087 19.838 4.078 1.00 53.07 ? 334 LYS A CD 1 ATOM 2587 C CE . LYS A 1 317 ? 29.507 21.281 3.837 1.00 65.46 ? 334 LYS A CE 1 ATOM 2588 N NZ . LYS A 1 317 ? 30.302 21.832 4.973 1.00 75.02 ? 334 LYS A NZ 1 ATOM 2589 N N . ALA A 1 318 ? 31.499 14.206 4.579 1.00 23.34 ? 335 ALA A N 1 ATOM 2590 C CA . ALA A 1 318 ? 31.223 12.779 4.664 1.00 22.17 ? 335 ALA A CA 1 ATOM 2591 C C . ALA A 1 318 ? 31.699 12.193 6.000 1.00 22.53 ? 335 ALA A C 1 ATOM 2592 O O . ALA A 1 318 ? 32.441 12.839 6.769 1.00 20.76 ? 335 ALA A O 1 ATOM 2593 C CB . ALA A 1 318 ? 31.863 12.042 3.477 1.00 20.19 ? 335 ALA A CB 1 ATOM 2594 N N . SER A 1 319 ? 31.237 10.973 6.271 1.00 19.45 ? 336 SER A N 1 ATOM 2595 C CA . SER A 1 319 ? 31.567 10.238 7.495 1.00 19.77 ? 336 SER A CA 1 ATOM 2596 C C . SER A 1 319 ? 31.694 8.769 7.174 1.00 20.52 ? 336 SER A C 1 ATOM 2597 O O . SER A 1 319 ? 31.094 8.288 6.217 1.00 19.08 ? 336 SER A O 1 ATOM 2598 C CB . SER A 1 319 ? 30.436 10.383 8.528 1.00 23.59 ? 336 SER A CB 1 ATOM 2599 O OG . SER A 1 319 ? 30.215 11.720 8.904 1.00 27.65 ? 336 SER A OG 1 ATOM 2600 N N . ALA A 1 320 ? 32.464 8.055 7.987 1.00 20.32 ? 337 ALA A N 1 ATOM 2601 C CA . ALA A 1 320 ? 32.447 6.599 8.017 1.00 21.05 ? 337 ALA A CA 1 ATOM 2602 C C . ALA A 1 320 ? 31.794 6.114 9.312 1.00 17.80 ? 337 ALA A C 1 ATOM 2603 O O . ALA A 1 320 ? 32.111 6.608 10.385 1.00 19.82 ? 337 ALA A O 1 ATOM 2604 C CB . ALA A 1 320 ? 33.873 6.040 7.925 1.00 19.65 ? 337 ALA A CB 1 ATOM 2605 N N . LEU A 1 321 ? 30.891 5.156 9.191 1.00 18.18 ? 338 LEU A N 1 ATOM 2606 C CA . LEU A 1 321 ? 30.323 4.466 10.348 1.00 19.24 ? 338 LEU A CA 1 ATOM 2607 C C . LEU A 1 321 ? 30.721 3.006 10.292 1.00 18.37 ? 338 LEU A C 1 ATOM 2608 O O . LEU A 1 321 ? 30.618 2.370 9.234 1.00 18.05 ? 338 LEU A O 1 ATOM 2609 C CB . LEU A 1 321 ? 28.801 4.568 10.365 1.00 17.59 ? 338 LEU A CB 1 ATOM 2610 C CG . LEU A 1 321 ? 28.201 5.933 10.690 1.00 21.71 ? 338 LEU A CG 1 ATOM 2611 C CD1 . LEU A 1 321 ? 26.673 5.953 10.397 1.00 22.89 ? 338 LEU A CD1 1 ATOM 2612 C CD2 . LEU A 1 321 ? 28.471 6.312 12.143 1.00 22.98 ? 338 LEU A CD2 1 ATOM 2613 N N . VAL A 1 322 ? 31.168 2.478 11.432 1.00 16.11 ? 339 VAL A N 1 ATOM 2614 C CA . VAL A 1 322 ? 31.371 1.039 11.580 1.00 15.99 ? 339 VAL A CA 1 ATOM 2615 C C . VAL A 1 322 ? 30.463 0.532 12.699 1.00 14.91 ? 339 VAL A C 1 ATOM 2616 O O . VAL A 1 322 ? 30.574 0.959 13.859 1.00 17.71 ? 339 VAL A O 1 ATOM 2617 C CB . VAL A 1 322 ? 32.843 0.651 11.824 1.00 17.72 ? 339 VAL A CB 1 ATOM 2618 C CG1 . VAL A 1 322 ? 32.967 -0.869 12.051 1.00 15.38 ? 339 VAL A CG1 1 ATOM 2619 C CG2 . VAL A 1 322 ? 33.727 1.103 10.638 1.00 17.01 ? 339 VAL A CG2 1 ATOM 2620 N N . PHE A 1 323 ? 29.551 -0.368 12.327 1.00 17.00 ? 340 PHE A N 1 ATOM 2621 C CA . PHE A 1 323 ? 28.696 -1.085 13.255 1.00 16.17 ? 340 PHE A CA 1 ATOM 2622 C C . PHE A 1 323 ? 29.399 -2.411 13.515 1.00 16.41 ? 340 PHE A C 1 ATOM 2623 O O . PHE A 1 323 ? 29.566 -3.215 12.585 1.00 16.70 ? 340 PHE A O 1 ATOM 2624 C CB . PHE A 1 323 ? 27.316 -1.322 12.633 1.00 17.43 ? 340 PHE A CB 1 ATOM 2625 C CG . PHE A 1 323 ? 26.662 -0.076 12.119 1.00 15.59 ? 340 PHE A CG 1 ATOM 2626 C CD1 . PHE A 1 323 ? 25.948 0.741 12.973 1.00 21.20 ? 340 PHE A CD1 1 ATOM 2627 C CD2 . PHE A 1 323 ? 26.739 0.266 10.764 1.00 19.69 ? 340 PHE A CD2 1 ATOM 2628 C CE1 . PHE A 1 323 ? 25.329 1.898 12.500 1.00 25.73 ? 340 PHE A CE1 1 ATOM 2629 C CE2 . PHE A 1 323 ? 26.110 1.412 10.280 1.00 21.02 ? 340 PHE A CE2 1 ATOM 2630 C CZ . PHE A 1 323 ? 25.412 2.227 11.153 1.00 20.62 ? 340 PHE A CZ 1 ATOM 2631 N N . PHE A 1 324 ? 29.828 -2.625 14.759 1.00 15.90 ? 341 PHE A N 1 ATOM 2632 C CA . PHE A 1 324 ? 30.674 -3.765 15.123 1.00 16.28 ? 341 PHE A CA 1 ATOM 2633 C C . PHE A 1 324 ? 29.977 -4.638 16.157 1.00 15.52 ? 341 PHE A C 1 ATOM 2634 O O . PHE A 1 324 ? 29.591 -4.153 17.214 1.00 16.39 ? 341 PHE A O 1 ATOM 2635 C CB . PHE A 1 324 ? 31.969 -3.201 15.693 1.00 15.30 ? 341 PHE A CB 1 ATOM 2636 C CG . PHE A 1 324 ? 32.967 -4.225 16.193 1.00 15.55 ? 341 PHE A CG 1 ATOM 2637 C CD1 . PHE A 1 324 ? 33.726 -3.937 17.309 1.00 17.48 ? 341 PHE A CD1 1 ATOM 2638 C CD2 . PHE A 1 324 ? 33.199 -5.411 15.519 1.00 15.50 ? 341 PHE A CD2 1 ATOM 2639 C CE1 . PHE A 1 324 ? 34.703 -4.824 17.773 1.00 20.73 ? 341 PHE A CE1 1 ATOM 2640 C CE2 . PHE A 1 324 ? 34.162 -6.314 15.972 1.00 16.57 ? 341 PHE A CE2 1 ATOM 2641 C CZ . PHE A 1 324 ? 34.911 -6.019 17.105 1.00 17.16 ? 341 PHE A CZ 1 ATOM 2642 N N . SER A 1 325 ? 29.833 -5.919 15.842 1.00 15.93 ? 342 SER A N 1 ATOM 2643 C CA . SER A 1 325 ? 29.215 -6.857 16.773 1.00 15.05 ? 342 SER A CA 1 ATOM 2644 C C . SER A 1 325 ? 30.258 -7.609 17.585 1.00 17.44 ? 342 SER A C 1 ATOM 2645 O O . SER A 1 325 ? 31.031 -8.401 17.033 1.00 18.89 ? 342 SER A O 1 ATOM 2646 C CB . SER A 1 325 ? 28.330 -7.873 16.056 1.00 19.75 ? 342 SER A CB 1 ATOM 2647 O OG . SER A 1 325 ? 27.872 -8.811 17.008 1.00 19.36 ? 342 SER A OG 1 ATOM 2648 N N A CYS A 1 326 ? 30.242 -7.343 18.887 0.50 18.12 ? 343 CYS A N 1 ATOM 2649 N N B CYS A 1 326 ? 30.300 -7.368 18.889 0.50 20.24 ? 343 CYS A N 1 ATOM 2650 C CA A CYS A 1 326 ? 31.009 -8.090 19.872 0.50 19.65 ? 343 CYS A CA 1 ATOM 2651 C CA B CYS A 1 326 ? 31.086 -8.225 19.777 0.50 25.61 ? 343 CYS A CA 1 ATOM 2652 C C A CYS A 1 326 ? 30.281 -9.372 20.316 0.50 20.34 ? 343 CYS A C 1 ATOM 2653 C C B CYS A 1 326 ? 30.229 -9.336 20.385 0.50 23.23 ? 343 CYS A C 1 ATOM 2654 O O A CYS A 1 326 ? 30.797 -10.122 21.157 0.50 21.70 ? 343 CYS A O 1 ATOM 2655 O O B CYS A 1 326 ? 30.579 -9.912 21.418 0.50 23.59 ? 343 CYS A O 1 ATOM 2656 C CB A CYS A 1 326 ? 31.307 -7.190 21.075 0.50 17.92 ? 343 CYS A CB 1 ATOM 2657 C CB B CYS A 1 326 ? 31.796 -7.408 20.853 0.50 30.40 ? 343 CYS A CB 1 ATOM 2658 S SG A CYS A 1 326 ? 32.336 -5.727 20.667 0.50 25.67 ? 343 CYS A SG 1 ATOM 2659 S SG B CYS A 1 326 ? 33.294 -6.586 20.216 0.50 29.77 ? 343 CYS A SG 1 ATOM 2660 N N . ARG A 1 327 ? 29.111 -9.649 19.737 1.00 18.84 ? 344 ARG A N 1 ATOM 2661 C CA . ARG A 1 327 ? 28.339 -10.836 20.095 1.00 20.27 ? 344 ARG A CA 1 ATOM 2662 C C . ARG A 1 327 ? 29.067 -12.079 19.591 1.00 21.30 ? 344 ARG A C 1 ATOM 2663 O O . ARG A 1 327 ? 29.865 -12.008 18.642 1.00 18.87 ? 344 ARG A O 1 ATOM 2664 C CB . ARG A 1 327 ? 26.951 -10.800 19.481 1.00 18.63 ? 344 ARG A CB 1 ATOM 2665 C CG . ARG A 1 327 ? 26.122 -9.576 19.896 1.00 20.18 ? 344 ARG A CG 1 ATOM 2666 C CD . ARG A 1 327 ? 24.754 -9.621 19.277 1.00 20.59 ? 344 ARG A CD 1 ATOM 2667 N NE . ARG A 1 327 ? 23.936 -10.719 19.792 1.00 25.10 ? 344 ARG A NE 1 ATOM 2668 C CZ . ARG A 1 327 ? 23.179 -10.643 20.884 1.00 30.26 ? 344 ARG A CZ 1 ATOM 2669 N NH1 . ARG A 1 327 ? 23.139 -9.523 21.606 1.00 26.75 ? 344 ARG A NH1 1 ATOM 2670 N NH2 . ARG A 1 327 ? 22.453 -11.694 21.262 1.00 29.46 ? 344 ARG A NH2 1 ATOM 2671 N N . THR A 1 328 ? 28.778 -13.210 20.230 1.00 20.66 ? 345 THR A N 1 ATOM 2672 C CA . THR A 1 328 ? 29.348 -14.491 19.817 1.00 18.47 ? 345 THR A CA 1 ATOM 2673 C C . THR A 1 328 ? 28.268 -15.548 19.605 1.00 20.62 ? 345 THR A C 1 ATOM 2674 O O . THR A 1 328 ? 28.485 -16.747 19.837 1.00 20.69 ? 345 THR A O 1 ATOM 2675 C CB . THR A 1 328 ? 30.384 -14.966 20.831 1.00 22.73 ? 345 THR A CB 1 ATOM 2676 O OG1 . THR A 1 328 ? 29.810 -14.944 22.130 1.00 24.86 ? 345 THR A OG1 1 ATOM 2677 C CG2 . THR A 1 328 ? 31.624 -14.075 20.772 1.00 25.12 ? 345 THR A CG2 1 ATOM 2678 N N . ASP A 1 329 ? 27.098 -15.114 19.126 1.00 21.25 ? 346 ASP A N 1 ATOM 2679 C CA . ASP A 1 329 ? 25.982 -16.041 18.885 1.00 20.27 ? 346 ASP A CA 1 ATOM 2680 C C . ASP A 1 329 ? 25.601 -16.182 17.406 1.00 23.72 ? 346 ASP A C 1 ATOM 2681 O O . ASP A 1 329 ? 25.879 -17.211 16.776 1.00 26.09 ? 346 ASP A O 1 ATOM 2682 C CB . ASP A 1 329 ? 24.774 -15.743 19.798 1.00 20.25 ? 346 ASP A CB 1 ATOM 2683 C CG . ASP A 1 329 ? 24.203 -14.328 19.654 1.00 24.97 ? 346 ASP A CG 1 ATOM 2684 O OD1 . ASP A 1 329 ? 24.852 -13.420 19.111 1.00 21.72 ? 346 ASP A OD1 1 ATOM 2685 O OD2 . ASP A 1 329 ? 23.069 -14.127 20.112 1.00 28.73 ? 346 ASP A OD2 1 ATOM 2686 N N . MET A 1 330 ? 25.007 -15.144 16.834 1.00 21.49 ? 347 MET A N 1 ATOM 2687 C CA . MET A 1 330 ? 24.454 -15.243 15.483 1.00 22.18 ? 347 MET A CA 1 ATOM 2688 C C . MET A 1 330 ? 24.247 -13.845 14.929 1.00 21.14 ? 347 MET A C 1 ATOM 2689 O O . MET A 1 330 ? 24.481 -12.855 15.633 1.00 18.71 ? 347 MET A O 1 ATOM 2690 C CB . MET A 1 330 ? 23.150 -16.054 15.512 1.00 24.29 ? 347 MET A CB 1 ATOM 2691 C CG . MET A 1 330 ? 22.023 -15.345 16.178 1.00 25.22 ? 347 MET A CG 1 ATOM 2692 S SD . MET A 1 330 ? 20.540 -16.376 16.426 1.00 29.01 ? 347 MET A SD 1 ATOM 2693 C CE . MET A 1 330 ? 19.626 -15.214 17.401 1.00 35.58 ? 347 MET A CE 1 ATOM 2694 N N . PRO A 1 331 ? 23.833 -13.748 13.654 1.00 19.05 ? 348 PRO A N 1 ATOM 2695 C CA . PRO A 1 331 ? 23.633 -12.407 13.115 1.00 20.75 ? 348 PRO A CA 1 ATOM 2696 C C . PRO A 1 331 ? 22.637 -11.619 13.953 1.00 24.63 ? 348 PRO A C 1 ATOM 2697 O O . PRO A 1 331 ? 21.692 -12.201 14.507 1.00 23.39 ? 348 PRO A O 1 ATOM 2698 C CB . PRO A 1 331 ? 23.107 -12.672 11.701 1.00 22.70 ? 348 PRO A CB 1 ATOM 2699 C CG . PRO A 1 331 ? 23.629 -14.031 11.365 1.00 20.99 ? 348 PRO A CG 1 ATOM 2700 C CD . PRO A 1 331 ? 23.619 -14.793 12.638 1.00 24.95 ? 348 PRO A CD 1 ATOM 2701 N N . TYR A 1 332 ? 22.854 -10.313 14.034 1.00 22.19 ? 349 TYR A N 1 ATOM 2702 C CA . TYR A 1 332 ? 22.050 -9.435 14.852 1.00 21.18 ? 349 TYR A CA 1 ATOM 2703 C C . TYR A 1 332 ? 21.500 -8.325 13.980 1.00 22.39 ? 349 TYR A C 1 ATOM 2704 O O . TYR A 1 332 ? 22.238 -7.699 13.220 1.00 20.99 ? 349 TYR A O 1 ATOM 2705 C CB . TYR A 1 332 ? 22.898 -8.848 15.978 1.00 20.40 ? 349 TYR A CB 1 ATOM 2706 C CG . TYR A 1 332 ? 22.092 -8.086 16.992 1.00 20.49 ? 349 TYR A CG 1 ATOM 2707 C CD1 . TYR A 1 332 ? 21.406 -8.752 18.008 1.00 26.01 ? 349 TYR A CD1 1 ATOM 2708 C CD2 . TYR A 1 332 ? 21.988 -6.706 16.929 1.00 26.57 ? 349 TYR A CD2 1 ATOM 2709 C CE1 . TYR A 1 332 ? 20.650 -8.049 18.943 1.00 30.52 ? 349 TYR A CE1 1 ATOM 2710 C CE2 . TYR A 1 332 ? 21.222 -6.002 17.849 1.00 27.88 ? 349 TYR A CE2 1 ATOM 2711 C CZ . TYR A 1 332 ? 20.566 -6.671 18.850 1.00 30.81 ? 349 TYR A CZ 1 ATOM 2712 O OH . TYR A 1 332 ? 19.826 -5.970 19.769 1.00 35.70 ? 349 TYR A OH 1 ATOM 2713 N N . ARG A 1 333 ? 20.201 -8.085 14.117 1.00 22.45 ? 350 ARG A N 1 ATOM 2714 C CA . ARG A 1 333 ? 19.523 -7.011 13.388 1.00 24.41 ? 350 ARG A CA 1 ATOM 2715 C C . ARG A 1 333 ? 19.551 -5.766 14.265 1.00 23.35 ? 350 ARG A C 1 ATOM 2716 O O . ARG A 1 333 ? 18.767 -5.635 15.205 1.00 25.46 ? 350 ARG A O 1 ATOM 2717 C CB . ARG A 1 333 ? 18.080 -7.391 13.056 1.00 25.68 ? 350 ARG A CB 1 ATOM 2718 C CG . ARG A 1 333 ? 17.938 -8.589 12.155 1.00 30.72 ? 350 ARG A CG 1 ATOM 2719 C CD . ARG A 1 333 ? 16.469 -9.039 12.044 1.00 47.44 ? 350 ARG A CD 1 ATOM 2720 N NE . ARG A 1 333 ? 15.881 -8.707 10.749 1.00 60.77 ? 350 ARG A NE 1 ATOM 2721 C CZ . ARG A 1 333 ? 16.024 -9.436 9.639 1.00 82.79 ? 350 ARG A CZ 1 ATOM 2722 N NH1 . ARG A 1 333 ? 16.747 -10.559 9.637 1.00 78.93 ? 350 ARG A NH1 1 ATOM 2723 N NH2 . ARG A 1 333 ? 15.441 -9.040 8.512 1.00 85.17 ? 350 ARG A NH2 1 ATOM 2724 N N . TYR A 1 334 ? 20.473 -4.870 13.956 1.00 22.52 ? 351 TYR A N 1 ATOM 2725 C CA . TYR A 1 334 ? 20.685 -3.654 14.729 1.00 23.10 ? 351 TYR A CA 1 ATOM 2726 C C . TYR A 1 334 ? 19.805 -2.543 14.174 1.00 23.71 ? 351 TYR A C 1 ATOM 2727 O O . TYR A 1 334 ? 19.935 -2.171 13.005 1.00 24.42 ? 351 TYR A O 1 ATOM 2728 C CB . TYR A 1 334 ? 22.153 -3.243 14.658 1.00 24.01 ? 351 TYR A CB 1 ATOM 2729 C CG . TYR A 1 334 ? 22.472 -1.994 15.441 1.00 19.36 ? 351 TYR A CG 1 ATOM 2730 C CD1 . TYR A 1 334 ? 22.263 -1.945 16.815 1.00 27.09 ? 351 TYR A CD1 1 ATOM 2731 C CD2 . TYR A 1 334 ? 23.005 -0.865 14.815 1.00 27.18 ? 351 TYR A CD2 1 ATOM 2732 C CE1 . TYR A 1 334 ? 22.564 -0.795 17.553 1.00 28.63 ? 351 TYR A CE1 1 ATOM 2733 C CE2 . TYR A 1 334 ? 23.303 0.290 15.553 1.00 25.45 ? 351 TYR A CE2 1 ATOM 2734 C CZ . TYR A 1 334 ? 23.093 0.306 16.917 1.00 30.26 ? 351 TYR A CZ 1 ATOM 2735 O OH . TYR A 1 334 ? 23.385 1.434 17.653 1.00 33.85 ? 351 TYR A OH 1 ATOM 2736 N N . HIS A 1 335 ? 18.917 -2.023 15.015 1.00 25.53 ? 352 HIS A N 1 ATOM 2737 C CA . HIS A 1 335 ? 17.985 -0.964 14.618 1.00 27.66 ? 352 HIS A CA 1 ATOM 2738 C C . HIS A 1 335 ? 18.479 0.360 15.158 1.00 28.12 ? 352 HIS A C 1 ATOM 2739 O O . HIS A 1 335 ? 18.697 0.502 16.354 1.00 29.07 ? 352 HIS A O 1 ATOM 2740 C CB . HIS A 1 335 ? 16.586 -1.237 15.190 1.00 29.38 ? 352 HIS A CB 1 ATOM 2741 C CG . HIS A 1 335 ? 16.067 -2.608 14.901 1.00 30.35 ? 352 HIS A CG 1 ATOM 2742 N ND1 . HIS A 1 335 ? 15.594 -2.980 13.662 1.00 52.57 ? 352 HIS A ND1 1 ATOM 2743 C CD2 . HIS A 1 335 ? 15.944 -3.698 15.695 1.00 39.72 ? 352 HIS A CD2 1 ATOM 2744 C CE1 . HIS A 1 335 ? 15.207 -4.243 13.703 1.00 42.85 ? 352 HIS A CE1 1 ATOM 2745 N NE2 . HIS A 1 335 ? 15.411 -4.701 14.925 1.00 43.32 ? 352 HIS A NE2 1 ATOM 2746 N N . SER A 1 336 ? 18.639 1.350 14.287 1.00 28.06 ? 353 SER A N 1 ATOM 2747 C CA . SER A 1 336 ? 19.056 2.672 14.738 1.00 28.16 ? 353 SER A CA 1 ATOM 2748 C C . SER A 1 336 ? 18.526 3.764 13.811 1.00 25.46 ? 353 SER A C 1 ATOM 2749 O O . SER A 1 336 ? 17.639 3.532 12.973 1.00 28.19 ? 353 SER A O 1 ATOM 2750 C CB . SER A 1 336 ? 20.590 2.730 14.832 1.00 28.04 ? 353 SER A CB 1 ATOM 2751 O OG . SER A 1 336 ? 21.034 3.826 15.618 1.00 34.53 ? 353 SER A OG 1 ATOM 2752 N N . SER A 1 337 ? 19.050 4.964 14.005 1.00 26.47 ? 354 SER A N 1 ATOM 2753 C CA . SER A 1 337 ? 18.805 6.075 13.107 1.00 26.03 ? 354 SER A CA 1 ATOM 2754 C C . SER A 1 337 ? 19.982 7.029 13.242 1.00 23.67 ? 354 SER A C 1 ATOM 2755 O O . SER A 1 337 ? 20.706 6.995 14.241 1.00 30.63 ? 354 SER A O 1 ATOM 2756 C CB . SER A 1 337 ? 17.490 6.766 13.480 1.00 31.32 ? 354 SER A CB 1 ATOM 2757 O OG . SER A 1 337 ? 17.588 7.392 14.752 1.00 30.77 ? 354 SER A OG 1 ATOM 2758 N N . LEU A 1 338 ? 20.199 7.871 12.235 1.00 27.99 ? 355 LEU A N 1 ATOM 2759 C CA . LEU A 1 338 ? 21.311 8.807 12.293 1.00 27.61 ? 355 LEU A CA 1 ATOM 2760 C C . LEU A 1 338 ? 21.139 9.791 13.449 1.00 31.27 ? 355 LEU A C 1 ATOM 2761 O O . LEU A 1 338 ? 22.117 10.156 14.092 1.00 29.42 ? 355 LEU A O 1 ATOM 2762 C CB . LEU A 1 338 ? 21.498 9.523 10.964 1.00 26.83 ? 355 LEU A CB 1 ATOM 2763 C CG . LEU A 1 338 ? 21.956 8.615 9.817 1.00 25.73 ? 355 LEU A CG 1 ATOM 2764 C CD1 . LEU A 1 338 ? 22.075 9.440 8.540 1.00 28.79 ? 355 LEU A CD1 1 ATOM 2765 C CD2 . LEU A 1 338 ? 23.282 7.933 10.153 1.00 24.93 ? 355 LEU A CD2 1 ATOM 2766 N N . GLY A 1 339 ? 19.898 10.172 13.755 1.00 29.64 ? 356 GLY A N 1 ATOM 2767 C CA . GLY A 1 339 ? 19.636 11.003 14.931 1.00 33.73 ? 356 GLY A CA 1 ATOM 2768 C C . GLY A 1 339 ? 20.123 10.404 16.246 1.00 32.74 ? 356 GLY A C 1 ATOM 2769 O O . GLY A 1 339 ? 20.629 11.120 17.109 1.00 40.34 ? 356 GLY A O 1 ATOM 2770 N N . GLN A 1 340 ? 19.974 9.092 16.400 1.00 33.06 ? 357 GLN A N 1 ATOM 2771 C CA . GLN A 1 340 ? 20.441 8.393 17.602 1.00 31.31 ? 357 GLN A CA 1 ATOM 2772 C C . GLN A 1 340 ? 21.967 8.283 17.653 1.00 32.87 ? 357 GLN A C 1 ATOM 2773 O O . GLN A 1 340 ? 22.539 7.997 18.704 1.00 34.94 ? 357 GLN A O 1 ATOM 2774 C CB . GLN A 1 340 ? 19.827 6.994 17.691 1.00 33.37 ? 357 GLN A CB 1 ATOM 2775 C CG . GLN A 1 340 ? 18.318 6.993 17.909 1.00 35.20 ? 357 GLN A CG 1 ATOM 2776 C CD . GLN A 1 340 ? 17.716 5.618 17.743 1.00 44.85 ? 357 GLN A CD 1 ATOM 2777 O OE1 . GLN A 1 340 ? 17.853 4.749 18.613 1.00 48.35 ? 357 GLN A OE1 1 ATOM 2778 N NE2 . GLN A 1 340 ? 17.050 5.404 16.619 1.00 35.00 ? 357 GLN A NE2 1 ATOM 2779 N N . LEU A 1 341 ? 22.608 8.502 16.510 1.00 31.97 ? 358 LEU A N 1 ATOM 2780 C CA . LEU A 1 341 ? 24.064 8.474 16.400 1.00 33.43 ? 358 LEU A CA 1 ATOM 2781 C C . LEU A 1 341 ? 24.650 9.889 16.270 1.00 37.76 ? 358 LEU A C 1 ATOM 2782 O O . LEU A 1 341 ? 25.740 10.077 15.716 1.00 34.92 ? 358 LEU A O 1 ATOM 2783 C CB . LEU A 1 341 ? 24.460 7.599 15.209 1.00 26.21 ? 358 LEU A CB 1 ATOM 2784 C CG . LEU A 1 341 ? 23.973 6.149 15.256 1.00 27.13 ? 358 LEU A CG 1 ATOM 2785 C CD1 . LEU A 1 341 ? 24.275 5.453 13.918 1.00 31.53 ? 358 LEU A CD1 1 ATOM 2786 C CD2 . LEU A 1 341 ? 24.590 5.364 16.430 1.00 27.51 ? 358 LEU A CD2 1 ATOM 2787 N N . ASN A 1 342 ? 23.899 10.875 16.758 1.00 39.58 ? 359 ASN A N 1 ATOM 2788 C CA . ASN A 1 342 ? 24.378 12.252 16.963 1.00 47.89 ? 359 ASN A CA 1 ATOM 2789 C C . ASN A 1 342 ? 24.640 13.034 15.677 1.00 45.29 ? 359 ASN A C 1 ATOM 2790 O O . ASN A 1 342 ? 25.419 13.988 15.666 1.00 49.47 ? 359 ASN A O 1 ATOM 2791 C CB . ASN A 1 342 ? 25.603 12.273 17.894 1.00 57.40 ? 359 ASN A CB 1 ATOM 2792 C CG . ASN A 1 342 ? 25.322 11.612 19.245 1.00 73.91 ? 359 ASN A CG 1 ATOM 2793 O OD1 . ASN A 1 342 ? 24.662 12.193 20.111 1.00 73.99 ? 359 ASN A OD1 1 ATOM 2794 N ND2 . ASN A 1 342 ? 25.826 10.390 19.427 1.00 78.43 ? 359 ASN A ND2 1 ATOM 2795 N N . PHE A 1 343 ? 23.984 12.621 14.594 1.00 37.06 ? 360 PHE A N 1 ATOM 2796 C CA . PHE A 1 343 ? 23.872 13.440 13.416 1.00 39.12 ? 360 PHE A CA 1 ATOM 2797 C C . PHE A 1 343 ? 22.686 14.349 13.734 1.00 45.91 ? 360 PHE A C 1 ATOM 2798 O O . PHE A 1 343 ? 21.629 13.878 14.165 1.00 56.41 ? 360 PHE A O 1 ATOM 2799 C CB . PHE A 1 343 ? 23.653 12.590 12.153 1.00 36.66 ? 360 PHE A CB 1 ATOM 2800 C CG . PHE A 1 343 ? 24.843 11.749 11.783 1.00 38.76 ? 360 PHE A CG 1 ATOM 2801 C CD1 . PHE A 1 343 ? 25.722 12.150 10.784 1.00 38.96 ? 360 PHE A CD1 1 ATOM 2802 C CD2 . PHE A 1 343 ? 25.110 10.568 12.464 1.00 31.70 ? 360 PHE A CD2 1 ATOM 2803 C CE1 . PHE A 1 343 ? 26.834 11.382 10.466 1.00 39.69 ? 360 PHE A CE1 1 ATOM 2804 C CE2 . PHE A 1 343 ? 26.214 9.800 12.153 1.00 34.05 ? 360 PHE A CE2 1 ATOM 2805 C CZ . PHE A 1 343 ? 27.082 10.204 11.147 1.00 41.29 ? 360 PHE A CZ 1 ATOM 2806 N N . THR A 1 344 ? 22.887 15.651 13.601 1.00 52.11 ? 361 THR A N 1 ATOM 2807 C CA . THR A 1 344 ? 21.860 16.628 13.964 1.00 60.32 ? 361 THR A CA 1 ATOM 2808 C C . THR A 1 344 ? 21.590 17.535 12.763 1.00 59.48 ? 361 THR A C 1 ATOM 2809 O O . THR A 1 344 ? 22.340 17.509 11.785 1.00 50.56 ? 361 THR A O 1 ATOM 2810 C CB . THR A 1 344 ? 22.283 17.444 15.219 1.00 62.15 ? 361 THR A CB 1 ATOM 2811 O OG1 . THR A 1 344 ? 21.149 18.144 15.744 1.00 70.78 ? 361 THR A OG1 1 ATOM 2812 C CG2 . THR A 1 344 ? 23.413 18.432 14.894 1.00 53.28 ? 361 THR A CG2 1 ATOM 2813 N N . GLY A 1 345 ? 20.512 18.312 12.833 1.00 61.58 ? 362 GLY A N 1 ATOM 2814 C CA . GLY A 1 345 ? 20.128 19.210 11.739 1.00 63.32 ? 362 GLY A CA 1 ATOM 2815 C C . GLY A 1 345 ? 19.122 18.592 10.781 1.00 59.45 ? 362 GLY A C 1 ATOM 2816 O O . GLY A 1 345 ? 18.474 17.597 11.100 1.00 68.63 ? 362 GLY A O 1 ATOM 2817 N N . SER A 1 346 ? 19.001 19.187 9.598 1.00 59.96 ? 363 SER A N 1 ATOM 2818 C CA . SER A 1 346 ? 17.962 18.815 8.632 1.00 62.96 ? 363 SER A CA 1 ATOM 2819 C C . SER A 1 346 ? 18.555 18.217 7.355 1.00 58.10 ? 363 SER A C 1 ATOM 2820 O O . SER A 1 346 ? 17.959 18.292 6.280 1.00 57.30 ? 363 SER A O 1 ATOM 2821 C CB . SER A 1 346 ? 17.127 20.051 8.286 1.00 65.28 ? 363 SER A CB 1 ATOM 2822 O OG . SER A 1 346 ? 16.454 20.535 9.433 1.00 73.66 ? 363 SER A OG 1 ATOM 2823 N N . VAL A 1 347 ? 19.724 17.605 7.482 1.00 54.23 ? 364 VAL A N 1 ATOM 2824 C CA . VAL A 1 347 ? 20.436 17.063 6.332 1.00 43.28 ? 364 VAL A CA 1 ATOM 2825 C C . VAL A 1 347 ? 19.795 15.728 5.918 1.00 44.10 ? 364 VAL A C 1 ATOM 2826 O O . VAL A 1 347 ? 19.325 14.971 6.764 1.00 39.42 ? 364 VAL A O 1 ATOM 2827 C CB . VAL A 1 347 ? 21.935 16.914 6.665 1.00 49.77 ? 364 VAL A CB 1 ATOM 2828 C CG1 . VAL A 1 347 ? 22.716 16.353 5.484 1.00 40.48 ? 364 VAL A CG1 1 ATOM 2829 C CG2 . VAL A 1 347 ? 22.509 18.265 7.094 1.00 43.11 ? 364 VAL A CG2 1 ATOM 2830 N N . ILE A 1 348 ? 19.713 15.487 4.612 1.00 35.63 ? 365 ILE A N 1 ATOM 2831 C CA . ILE A 1 348 ? 19.350 14.183 4.065 1.00 32.17 ? 365 ILE A CA 1 ATOM 2832 C C . ILE A 1 348 ? 20.639 13.524 3.599 1.00 30.47 ? 365 ILE A C 1 ATOM 2833 O O . ILE A 1 348 ? 21.449 14.165 2.926 1.00 29.02 ? 365 ILE A O 1 ATOM 2834 C CB . ILE A 1 348 ? 18.426 14.287 2.848 1.00 34.18 ? 365 ILE A CB 1 ATOM 2835 C CG1 . ILE A 1 348 ? 17.167 15.100 3.177 1.00 42.18 ? 365 ILE A CG1 1 ATOM 2836 C CG2 . ILE A 1 348 ? 18.041 12.887 2.355 1.00 34.30 ? 365 ILE A CG2 1 ATOM 2837 C CD1 . ILE A 1 348 ? 16.332 15.429 1.964 1.00 54.70 ? 365 ILE A CD1 1 ATOM 2838 N N . TYR A 1 349 ? 20.818 12.248 3.937 1.00 27.17 ? 366 TYR A N 1 ATOM 2839 C CA . TYR A 1 349 ? 22.045 11.531 3.642 1.00 24.52 ? 366 TYR A CA 1 ATOM 2840 C C . TYR A 1 349 ? 21.855 10.363 2.670 1.00 27.33 ? 366 TYR A C 1 ATOM 2841 O O . TYR A 1 349 ? 20.749 9.851 2.465 1.00 25.48 ? 366 TYR A O 1 ATOM 2842 C CB . TYR A 1 349 ? 22.643 10.975 4.944 1.00 25.08 ? 366 TYR A CB 1 ATOM 2843 C CG . TYR A 1 349 ? 23.061 12.022 5.956 1.00 27.05 ? 366 TYR A CG 1 ATOM 2844 C CD1 . TYR A 1 349 ? 24.370 12.471 6.021 1.00 26.52 ? 366 TYR A CD1 1 ATOM 2845 C CD2 . TYR A 1 349 ? 22.147 12.549 6.855 1.00 27.19 ? 366 TYR A CD2 1 ATOM 2846 C CE1 . TYR A 1 349 ? 24.763 13.430 6.945 1.00 28.30 ? 366 TYR A CE1 1 ATOM 2847 C CE2 . TYR A 1 349 ? 22.527 13.513 7.782 1.00 32.99 ? 366 TYR A CE2 1 ATOM 2848 C CZ . TYR A 1 349 ? 23.834 13.942 7.828 1.00 31.07 ? 366 TYR A CZ 1 ATOM 2849 O OH . TYR A 1 349 ? 24.223 14.899 8.737 1.00 37.96 ? 366 TYR A OH 1 ATOM 2850 N N . GLU A 1 350 ? 22.968 9.936 2.092 1.00 25.64 ? 367 GLU A N 1 ATOM 2851 C CA . GLU A 1 350 ? 23.056 8.681 1.376 1.00 23.40 ? 367 GLU A CA 1 ATOM 2852 C C . GLU A 1 350 ? 24.244 7.902 1.921 1.00 24.49 ? 367 GLU A C 1 ATOM 2853 O O . GLU A 1 350 ? 25.251 8.491 2.283 1.00 21.29 ? 367 GLU A O 1 ATOM 2854 C CB . GLU A 1 350 ? 23.235 8.975 -0.107 1.00 29.11 ? 367 GLU A CB 1 ATOM 2855 C CG . GLU A 1 350 ? 23.470 7.782 -1.009 1.00 30.67 ? 367 GLU A CG 1 ATOM 2856 C CD . GLU A 1 350 ? 23.358 8.179 -2.465 1.00 24.36 ? 367 GLU A CD 1 ATOM 2857 O OE1 . GLU A 1 350 ? 22.222 8.472 -2.887 1.00 31.79 ? 367 GLU A OE1 1 ATOM 2858 O OE2 . GLU A 1 350 ? 24.392 8.239 -3.162 1.00 30.47 ? 367 GLU A OE2 1 ATOM 2859 N N . ALA A 1 351 ? 24.111 6.578 1.988 1.00 22.56 ? 368 ALA A N 1 ATOM 2860 C CA . ALA A 1 351 ? 25.176 5.717 2.500 1.00 21.04 ? 368 ALA A CA 1 ATOM 2861 C C . ALA A 1 351 ? 25.502 4.657 1.472 1.00 21.95 ? 368 ALA A C 1 ATOM 2862 O O . ALA A 1 351 ? 24.606 4.128 0.807 1.00 22.94 ? 368 ALA A O 1 ATOM 2863 C CB . ALA A 1 351 ? 24.774 5.066 3.803 1.00 21.06 ? 368 ALA A CB 1 ATOM 2864 N N . GLN A 1 352 ? 26.790 4.356 1.342 1.00 18.83 ? 369 GLN A N 1 ATOM 2865 C CA . GLN A 1 352 ? 27.258 3.184 0.621 1.00 17.21 ? 369 GLN A CA 1 ATOM 2866 C C . GLN A 1 352 ? 27.848 2.190 1.604 1.00 16.52 ? 369 GLN A C 1 ATOM 2867 O O . GLN A 1 352 ? 28.722 2.532 2.398 1.00 20.08 ? 369 GLN A O 1 ATOM 2868 C CB . GLN A 1 352 ? 28.346 3.539 -0.385 1.00 20.13 ? 369 GLN A CB 1 ATOM 2869 C CG . GLN A 1 352 ? 28.703 2.341 -1.281 1.00 24.40 ? 369 GLN A CG 1 ATOM 2870 C CD . GLN A 1 352 ? 29.621 2.689 -2.440 1.00 32.57 ? 369 GLN A CD 1 ATOM 2871 O OE1 . GLN A 1 352 ? 29.768 3.855 -2.822 1.00 33.41 ? 369 GLN A OE1 1 ATOM 2872 N NE2 . GLN A 1 352 ? 30.244 1.672 -3.006 1.00 35.58 ? 369 GLN A NE2 1 ATOM 2873 N N . ASP A 1 353 ? 27.363 0.964 1.534 1.00 18.08 ? 370 ASP A N 1 ATOM 2874 C CA . ASP A 1 353 ? 27.926 -0.130 2.291 1.00 18.55 ? 370 ASP A CA 1 ATOM 2875 C C . ASP A 1 353 ? 29.295 -0.458 1.682 1.00 18.54 ? 370 ASP A C 1 ATOM 2876 O O . ASP A 1 353 ? 29.405 -0.788 0.510 1.00 20.64 ? 370 ASP A O 1 ATOM 2877 C CB . ASP A 1 353 ? 26.987 -1.327 2.229 1.00 19.21 ? 370 ASP A CB 1 ATOM 2878 C CG . ASP A 1 353 ? 27.439 -2.472 3.098 1.00 21.86 ? 370 ASP A CG 1 ATOM 2879 O OD1 . ASP A 1 353 ? 28.591 -2.899 2.942 1.00 18.62 ? 370 ASP A OD1 1 ATOM 2880 O OD2 . ASP A 1 353 ? 26.613 -2.973 3.889 1.00 22.85 ? 370 ASP A OD2 1 ATOM 2881 N N . VAL A 1 354 ? 30.338 -0.328 2.487 1.00 15.60 ? 371 VAL A N 1 ATOM 2882 C CA . VAL A 1 354 ? 31.719 -0.427 1.983 1.00 14.74 ? 371 VAL A CA 1 ATOM 2883 C C . VAL A 1 354 ? 32.035 -1.821 1.451 1.00 19.49 ? 371 VAL A C 1 ATOM 2884 O O . VAL A 1 354 ? 32.714 -1.957 0.446 1.00 19.42 ? 371 VAL A O 1 ATOM 2885 C CB . VAL A 1 354 ? 32.717 0.039 3.050 1.00 16.52 ? 371 VAL A CB 1 ATOM 2886 C CG1 . VAL A 1 354 ? 34.174 -0.190 2.611 1.00 17.82 ? 371 VAL A CG1 1 ATOM 2887 C CG2 . VAL A 1 354 ? 32.456 1.505 3.372 1.00 17.47 ? 371 VAL A CG2 1 ATOM 2888 N N . TYR A 1 355 ? 31.477 -2.851 2.085 1.00 18.91 ? 372 TYR A N 1 ATOM 2889 C CA . TYR A 1 355 ? 31.740 -4.233 1.657 1.00 17.92 ? 372 TYR A CA 1 ATOM 2890 C C . TYR A 1 355 ? 30.783 -4.733 0.582 1.00 24.30 ? 372 TYR A C 1 ATOM 2891 O O . TYR A 1 355 ? 31.210 -5.427 -0.343 1.00 22.66 ? 372 TYR A O 1 ATOM 2892 C CB . TYR A 1 355 ? 31.784 -5.168 2.863 1.00 17.86 ? 372 TYR A CB 1 ATOM 2893 C CG . TYR A 1 355 ? 33.077 -5.074 3.630 1.00 18.15 ? 372 TYR A CG 1 ATOM 2894 C CD1 . TYR A 1 355 ? 34.305 -5.346 3.012 1.00 15.32 ? 372 TYR A CD1 1 ATOM 2895 C CD2 . TYR A 1 355 ? 33.086 -4.703 4.964 1.00 14.36 ? 372 TYR A CD2 1 ATOM 2896 C CE1 . TYR A 1 355 ? 35.484 -5.277 3.715 1.00 17.04 ? 372 TYR A CE1 1 ATOM 2897 C CE2 . TYR A 1 355 ? 34.271 -4.654 5.685 1.00 14.76 ? 372 TYR A CE2 1 ATOM 2898 C CZ . TYR A 1 355 ? 35.467 -4.932 5.036 1.00 14.62 ? 372 TYR A CZ 1 ATOM 2899 O OH . TYR A 1 355 ? 36.650 -4.880 5.717 1.00 15.45 ? 372 TYR A OH 1 ATOM 2900 N N . SER A 1 356 ? 29.507 -4.401 0.668 1.00 21.32 ? 373 SER A N 1 ATOM 2901 C CA . SER A 1 356 ? 28.572 -4.906 -0.356 1.00 23.07 ? 373 SER A CA 1 ATOM 2902 C C . SER A 1 356 ? 28.450 -3.993 -1.565 1.00 26.60 ? 373 SER A C 1 ATOM 2903 O O . SER A 1 356 ? 28.096 -4.448 -2.647 1.00 28.77 ? 373 SER A O 1 ATOM 2904 C CB . SER A 1 356 ? 27.185 -5.146 0.233 1.00 25.66 ? 373 SER A CB 1 ATOM 2905 O OG . SER A 1 356 ? 26.504 -3.919 0.403 1.00 25.09 ? 373 SER A OG 1 ATOM 2906 N N . GLY A 1 357 ? 28.719 -2.711 -1.371 1.00 23.19 ? 374 GLY A N 1 ATOM 2907 C CA . GLY A 1 357 ? 28.573 -1.719 -2.421 1.00 24.33 ? 374 GLY A CA 1 ATOM 2908 C C . GLY A 1 357 ? 27.159 -1.199 -2.561 1.00 27.73 ? 374 GLY A C 1 ATOM 2909 O O . GLY A 1 357 ? 26.911 -0.282 -3.351 1.00 31.76 ? 374 GLY A O 1 ATOM 2910 N N . ASP A 1 358 ? 26.228 -1.752 -1.784 1.00 28.11 ? 375 ASP A N 1 ATOM 2911 C CA . ASP A 1 358 ? 24.827 -1.336 -1.860 1.00 25.05 ? 375 ASP A CA 1 ATOM 2912 C C . ASP A 1 358 ? 24.645 0.096 -1.355 1.00 29.48 ? 375 ASP A C 1 ATOM 2913 O O . ASP A 1 358 ? 25.333 0.541 -0.448 1.00 23.35 ? 375 ASP A O 1 ATOM 2914 C CB . ASP A 1 358 ? 23.943 -2.277 -1.043 1.00 29.96 ? 375 ASP A CB 1 ATOM 2915 C CG . ASP A 1 358 ? 23.855 -3.681 -1.645 1.00 39.85 ? 375 ASP A CG 1 ATOM 2916 O OD1 . ASP A 1 358 ? 24.277 -3.885 -2.804 1.00 39.96 ? 375 ASP A OD1 1 ATOM 2917 O OD2 . ASP A 1 358 ? 23.357 -4.580 -0.946 1.00 41.20 ? 375 ASP A OD2 1 ATOM 2918 N N . ILE A 1 359 ? 23.704 0.812 -1.952 1.00 27.24 ? 376 ILE A N 1 ATOM 2919 C CA . ILE A 1 359 ? 23.447 2.200 -1.588 1.00 24.47 ? 376 ILE A CA 1 ATOM 2920 C C . ILE A 1 359 ? 22.110 2.348 -0.860 1.00 29.53 ? 376 ILE A C 1 ATOM 2921 O O . ILE A 1 359 ? 21.085 1.841 -1.323 1.00 32.07 ? 376 ILE A O 1 ATOM 2922 C CB . ILE A 1 359 ? 23.504 3.112 -2.841 1.00 31.64 ? 376 ILE A CB 1 ATOM 2923 C CG1 . ILE A 1 359 ? 24.967 3.235 -3.318 1.00 36.04 ? 376 ILE A CG1 1 ATOM 2924 C CG2 . ILE A 1 359 ? 22.947 4.496 -2.519 1.00 32.41 ? 376 ILE A CG2 1 ATOM 2925 C CD1 . ILE A 1 359 ? 25.107 3.555 -4.776 1.00 54.15 ? 376 ILE A CD1 1 ATOM 2926 N N . ILE A 1 360 ? 22.144 3.001 0.306 1.00 24.01 ? 377 ILE A N 1 ATOM 2927 C CA . ILE A 1 360 ? 20.955 3.328 1.082 1.00 28.16 ? 377 ILE A CA 1 ATOM 2928 C C . ILE A 1 360 ? 20.745 4.855 0.994 1.00 35.24 ? 377 ILE A C 1 ATOM 2929 O O . ILE A 1 360 ? 21.559 5.635 1.474 1.00 29.65 ? 377 ILE A O 1 ATOM 2930 C CB . ILE A 1 360 ? 21.079 2.857 2.555 1.00 29.95 ? 377 ILE A CB 1 ATOM 2931 C CG1 . ILE A 1 360 ? 21.496 1.377 2.635 1.00 33.20 ? 377 ILE A CG1 1 ATOM 2932 C CG2 . ILE A 1 360 ? 19.756 3.069 3.283 1.00 43.76 ? 377 ILE A CG2 1 ATOM 2933 C CD1 . ILE A 1 360 ? 23.022 1.150 2.738 1.00 37.33 ? 377 ILE A CD1 1 ATOM 2934 N N . SER A 1 361 ? 19.655 5.284 0.366 1.00 31.66 ? 378 SER A N 1 ATOM 2935 C CA . SER A 1 361 ? 19.475 6.704 0.066 1.00 37.53 ? 378 SER A CA 1 ATOM 2936 C C . SER A 1 361 ? 18.276 7.288 0.813 1.00 44.64 ? 378 SER A C 1 ATOM 2937 O O . SER A 1 361 ? 17.392 6.556 1.258 1.00 46.19 ? 378 SER A O 1 ATOM 2938 C CB . SER A 1 361 ? 19.321 6.902 -1.444 1.00 43.93 ? 378 SER A CB 1 ATOM 2939 O OG . SER A 1 361 ? 19.650 8.231 -1.822 1.00 46.98 ? 378 SER A OG 1 ATOM 2940 N N . GLY A 1 362 ? 18.290 8.606 0.983 1.00 33.86 ? 379 GLY A N 1 ATOM 2941 C CA . GLY A 1 362 ? 17.179 9.331 1.584 1.00 36.47 ? 379 GLY A CA 1 ATOM 2942 C C . GLY A 1 362 ? 17.068 9.169 3.086 1.00 36.61 ? 379 GLY A C 1 ATOM 2943 O O . GLY A 1 362 ? 15.966 9.160 3.619 1.00 38.88 ? 379 GLY A O 1 ATOM 2944 N N . LEU A 1 363 ? 18.209 9.053 3.767 1.00 30.52 ? 380 LEU A N 1 ATOM 2945 C CA . LEU A 1 363 ? 18.219 8.932 5.220 1.00 28.11 ? 380 LEU A CA 1 ATOM 2946 C C . LEU A 1 363 ? 18.181 10.294 5.894 1.00 34.07 ? 380 LEU A C 1 ATOM 2947 O O . LEU A 1 363 ? 19.129 11.068 5.800 1.00 35.06 ? 380 LEU A O 1 ATOM 2948 C CB . LEU A 1 363 ? 19.464 8.178 5.705 1.00 27.84 ? 380 LEU A CB 1 ATOM 2949 C CG . LEU A 1 363 ? 19.582 6.720 5.283 1.00 31.53 ? 380 LEU A CG 1 ATOM 2950 C CD1 . LEU A 1 363 ? 20.999 6.231 5.505 1.00 27.69 ? 380 LEU A CD1 1 ATOM 2951 C CD2 . LEU A 1 363 ? 18.574 5.869 6.053 1.00 34.62 ? 380 LEU A CD2 1 ATOM 2952 N N . ARG A 1 364 ? 17.087 10.588 6.588 1.00 31.68 ? 381 ARG A N 1 ATOM 2953 C CA . ARG A 1 364 ? 17.037 11.769 7.452 1.00 34.37 ? 381 ARG A CA 1 ATOM 2954 C C . ARG A 1 364 ? 17.438 11.319 8.848 1.00 31.78 ? 381 ARG A C 1 ATOM 2955 O O . ARG A 1 364 ? 17.531 10.121 9.108 1.00 29.90 ? 381 ARG A O 1 ATOM 2956 C CB . ARG A 1 364 ? 15.638 12.375 7.461 1.00 39.12 ? 381 ARG A CB 1 ATOM 2957 C CG . ARG A 1 364 ? 15.050 12.591 6.074 1.00 44.61 ? 381 ARG A CG 1 ATOM 2958 C CD . ARG A 1 364 ? 13.647 13.163 6.159 1.00 58.35 ? 381 ARG A CD 1 ATOM 2959 N NE . ARG A 1 364 ? 13.683 14.608 6.365 1.00 76.89 ? 381 ARG A NE 1 ATOM 2960 C CZ . ARG A 1 364 ? 13.697 15.519 5.393 1.00 77.50 ? 381 ARG A CZ 1 ATOM 2961 N NH1 . ARG A 1 364 ? 13.667 15.160 4.111 1.00 81.29 ? 381 ARG A NH1 1 ATOM 2962 N NH2 . ARG A 1 364 ? 13.738 16.808 5.709 1.00 86.84 ? 381 ARG A NH2 1 ATOM 2963 N N . ASP A 1 365 ? 17.669 12.257 9.757 1.00 30.82 ? 382 ASP A N 1 ATOM 2964 C CA . ASP A 1 365 ? 18.031 11.871 11.130 1.00 31.82 ? 382 ASP A CA 1 ATOM 2965 C C . ASP A 1 365 ? 17.003 10.933 11.779 1.00 31.04 ? 382 ASP A C 1 ATOM 2966 O O . ASP A 1 365 ? 17.376 10.019 12.504 1.00 32.67 ? 382 ASP A O 1 ATOM 2967 C CB . ASP A 1 365 ? 18.219 13.110 12.010 1.00 35.87 ? 382 ASP A CB 1 ATOM 2968 C CG . ASP A 1 365 ? 19.563 13.776 11.804 1.00 45.61 ? 382 ASP A CG 1 ATOM 2969 O OD1 . ASP A 1 365 ? 20.451 13.172 11.161 1.00 47.84 ? 382 ASP A OD1 1 ATOM 2970 O OD2 . ASP A 1 365 ? 19.730 14.912 12.292 1.00 54.07 ? 382 ASP A OD2 1 ATOM 2971 N N . GLU A 1 366 ? 15.723 11.144 11.480 1.00 33.08 ? 383 GLU A N 1 ATOM 2972 C CA . GLU A 1 366 ? 14.629 10.375 12.095 1.00 33.89 ? 383 GLU A CA 1 ATOM 2973 C C . GLU A 1 366 ? 14.351 9.052 11.380 1.00 34.38 ? 383 GLU A C 1 ATOM 2974 O O . GLU A 1 366 ? 13.515 8.270 11.833 1.00 34.92 ? 383 GLU A O 1 ATOM 2975 C CB . GLU A 1 366 ? 13.312 11.188 12.103 1.00 37.63 ? 383 GLU A CB 1 ATOM 2976 C CG . GLU A 1 366 ? 13.471 12.681 12.310 1.00 57.52 ? 383 GLU A CG 1 ATOM 2977 C CD . GLU A 1 366 ? 13.867 13.418 11.033 1.00 61.42 ? 383 GLU A CD 1 ATOM 2978 O OE1 . GLU A 1 366 ? 13.185 13.254 9.994 1.00 68.88 ? 383 GLU A OE1 1 ATOM 2979 O OE2 . GLU A 1 366 ? 14.871 14.155 11.079 1.00 48.87 ? 383 GLU A OE2 1 ATOM 2980 N N . THR A 1 367 ? 15.008 8.807 10.251 1.00 32.98 ? 384 THR A N 1 ATOM 2981 C CA . THR A 1 367 ? 14.727 7.607 9.477 1.00 28.13 ? 384 THR A CA 1 ATOM 2982 C C . THR A 1 367 ? 15.281 6.385 10.201 1.00 29.72 ? 384 THR A C 1 ATOM 2983 O O . THR A 1 367 ? 16.480 6.310 10.483 1.00 31.22 ? 384 THR A O 1 ATOM 2984 C CB . THR A 1 367 ? 15.316 7.689 8.048 1.00 30.17 ? 384 THR A CB 1 ATOM 2985 O OG1 . THR A 1 367 ? 14.822 8.868 7.401 1.00 32.39 ? 384 THR A OG1 1 ATOM 2986 C CG2 . THR A 1 367 ? 14.915 6.450 7.238 1.00 34.34 ? 384 THR A CG2 1 ATOM 2987 N N . ASN A 1 368 ? 14.399 5.444 10.519 1.00 29.03 ? 385 ASN A N 1 ATOM 2988 C CA . ASN A 1 368 ? 14.821 4.178 11.096 1.00 29.73 ? 385 ASN A CA 1 ATOM 2989 C C . ASN A 1 368 ? 15.501 3.306 10.053 1.00 34.26 ? 385 ASN A C 1 ATOM 2990 O O . ASN A 1 368 ? 15.011 3.177 8.929 1.00 38.88 ? 385 ASN A O 1 ATOM 2991 C CB . ASN A 1 368 ? 13.613 3.438 11.661 1.00 35.82 ? 385 ASN A CB 1 ATOM 2992 C CG . ASN A 1 368 ? 13.089 4.063 12.929 1.00 42.47 ? 385 ASN A CG 1 ATOM 2993 O OD1 . ASN A 1 368 ? 13.824 4.723 13.663 1.00 40.35 ? 385 ASN A OD1 1 ATOM 2994 N ND2 . ASN A 1 368 ? 11.793 3.847 13.197 1.00 54.52 ? 385 ASN A ND2 1 ATOM 2995 N N . PHE A 1 369 ? 16.643 2.719 10.409 1.00 28.70 ? 386 PHE A N 1 ATOM 2996 C CA . PHE A 1 369 ? 17.251 1.713 9.547 1.00 28.49 ? 386 PHE A CA 1 ATOM 2997 C C . PHE A 1 369 ? 17.675 0.505 10.369 1.00 27.12 ? 386 PHE A C 1 ATOM 2998 O O . PHE A 1 369 ? 17.777 0.583 11.595 1.00 27.97 ? 386 PHE A O 1 ATOM 2999 C CB . PHE A 1 369 ? 18.425 2.300 8.751 1.00 31.62 ? 386 PHE A CB 1 ATOM 3000 C CG . PHE A 1 369 ? 19.571 2.774 9.604 1.00 22.45 ? 386 PHE A CG 1 ATOM 3001 C CD1 . PHE A 1 369 ? 20.484 1.861 10.143 1.00 24.81 ? 386 PHE A CD1 1 ATOM 3002 C CD2 . PHE A 1 369 ? 19.760 4.134 9.854 1.00 24.40 ? 386 PHE A CD2 1 ATOM 3003 C CE1 . PHE A 1 369 ? 21.553 2.306 10.922 1.00 28.28 ? 386 PHE A CE1 1 ATOM 3004 C CE2 . PHE A 1 369 ? 20.812 4.568 10.635 1.00 29.05 ? 386 PHE A CE2 1 ATOM 3005 C CZ . PHE A 1 369 ? 21.705 3.660 11.171 1.00 30.27 ? 386 PHE A CZ 1 ATOM 3006 N N . THR A 1 370 ? 17.882 -0.607 9.666 1.00 28.58 ? 387 THR A N 1 ATOM 3007 C CA . THR A 1 370 ? 18.364 -1.848 10.248 1.00 27.19 ? 387 THR A CA 1 ATOM 3008 C C . THR A 1 370 ? 19.590 -2.296 9.467 1.00 27.46 ? 387 THR A C 1 ATOM 3009 O O . THR A 1 370 ? 19.590 -2.270 8.231 1.00 27.29 ? 387 THR A O 1 ATOM 3010 C CB . THR A 1 370 ? 17.291 -2.956 10.185 1.00 30.08 ? 387 THR A CB 1 ATOM 3011 O OG1 . THR A 1 370 ? 16.099 -2.523 10.864 1.00 32.61 ? 387 THR A OG1 1 ATOM 3012 C CG2 . THR A 1 370 ? 17.809 -4.230 10.831 1.00 28.33 ? 387 THR A CG2 1 ATOM 3013 N N . VAL A 1 371 ? 20.653 -2.651 10.185 1.00 23.79 ? 388 VAL A N 1 ATOM 3014 C CA . VAL A 1 371 ? 21.797 -3.323 9.569 1.00 24.69 ? 388 VAL A CA 1 ATOM 3015 C C . VAL A 1 371 ? 21.968 -4.689 10.240 1.00 20.85 ? 388 VAL A C 1 ATOM 3016 O O . VAL A 1 371 ? 21.700 -4.842 11.424 1.00 24.10 ? 388 VAL A O 1 ATOM 3017 C CB . VAL A 1 371 ? 23.107 -2.496 9.625 1.00 26.31 ? 388 VAL A CB 1 ATOM 3018 C CG1 . VAL A 1 371 ? 22.975 -1.212 8.785 1.00 27.48 ? 388 VAL A CG1 1 ATOM 3019 C CG2 . VAL A 1 371 ? 23.515 -2.175 11.054 1.00 23.93 ? 388 VAL A CG2 1 ATOM 3020 N N . ILE A 1 372 ? 22.361 -5.679 9.451 1.00 22.08 ? 389 ILE A N 1 ATOM 3021 C CA . ILE A 1 372 ? 22.504 -7.044 9.925 1.00 21.19 ? 389 ILE A CA 1 ATOM 3022 C C . ILE A 1 372 ? 23.987 -7.293 10.089 1.00 20.52 ? 389 ILE A C 1 ATOM 3023 O O . ILE A 1 372 ? 24.734 -7.265 9.098 1.00 21.69 ? 389 ILE A O 1 ATOM 3024 C CB . ILE A 1 372 ? 21.924 -8.073 8.928 1.00 24.37 ? 389 ILE A CB 1 ATOM 3025 C CG1 . ILE A 1 372 ? 20.426 -7.822 8.710 1.00 33.62 ? 389 ILE A CG1 1 ATOM 3026 C CG2 . ILE A 1 372 ? 22.191 -9.504 9.444 1.00 25.27 ? 389 ILE A CG2 1 ATOM 3027 C CD1 . ILE A 1 372 ? 19.805 -8.694 7.625 1.00 41.10 ? 389 ILE A CD1 1 ATOM 3028 N N . ILE A 1 373 ? 24.413 -7.494 11.335 1.00 20.28 ? 390 ILE A N 1 ATOM 3029 C CA . ILE A 1 373 ? 25.830 -7.609 11.664 1.00 19.28 ? 390 ILE A CA 1 ATOM 3030 C C . ILE A 1 373 ? 26.101 -9.012 12.162 1.00 18.82 ? 390 ILE A C 1 ATOM 3031 O O . ILE A 1 373 ? 25.429 -9.494 13.087 1.00 20.24 ? 390 ILE A O 1 ATOM 3032 C CB . ILE A 1 373 ? 26.267 -6.607 12.772 1.00 16.88 ? 390 ILE A CB 1 ATOM 3033 C CG1 . ILE A 1 373 ? 25.670 -5.209 12.549 1.00 18.29 ? 390 ILE A CG1 1 ATOM 3034 C CG2 . ILE A 1 373 ? 27.817 -6.487 12.848 1.00 15.21 ? 390 ILE A CG2 1 ATOM 3035 C CD1 . ILE A 1 373 ? 25.710 -4.352 13.789 1.00 17.88 ? 390 ILE A CD1 1 ATOM 3036 N N . ASN A 1 374 ? 27.107 -9.656 11.577 1.00 17.08 ? 391 ASN A N 1 ATOM 3037 C CA . ASN A 1 374 ? 27.476 -10.995 11.985 1.00 18.83 ? 391 ASN A CA 1 ATOM 3038 C C . ASN A 1 374 ? 28.404 -10.981 13.183 1.00 16.73 ? 391 ASN A C 1 ATOM 3039 O O . ASN A 1 374 ? 29.098 -9.991 13.429 1.00 17.32 ? 391 ASN A O 1 ATOM 3040 C CB . ASN A 1 374 ? 28.105 -11.741 10.809 1.00 17.94 ? 391 ASN A CB 1 ATOM 3041 C CG . ASN A 1 374 ? 27.121 -12.000 9.697 1.00 23.38 ? 391 ASN A CG 1 ATOM 3042 O OD1 . ASN A 1 374 ? 25.914 -12.120 9.926 1.00 22.51 ? 391 ASN A OD1 1 ATOM 3043 N ND2 . ASN A 1 374 ? 27.635 -12.127 8.485 1.00 20.65 ? 391 ASN A ND2 1 ATOM 3044 N N . PRO A 1 375 ? 28.431 -12.082 13.937 1.00 15.84 ? 392 PRO A N 1 ATOM 3045 C CA . PRO A 1 375 ? 29.247 -12.110 15.150 1.00 15.26 ? 392 PRO A CA 1 ATOM 3046 C C . PRO A 1 375 ? 30.736 -11.927 14.861 1.00 19.07 ? 392 PRO A C 1 ATOM 3047 O O . PRO A 1 375 ? 31.256 -12.488 13.888 1.00 19.87 ? 392 PRO A O 1 ATOM 3048 C CB . PRO A 1 375 ? 29.014 -13.522 15.711 1.00 21.88 ? 392 PRO A CB 1 ATOM 3049 C CG . PRO A 1 375 ? 27.852 -14.019 15.084 1.00 20.85 ? 392 PRO A CG 1 ATOM 3050 C CD . PRO A 1 375 ? 27.623 -13.298 13.792 1.00 19.10 ? 392 PRO A CD 1 ATOM 3051 N N . SER A 1 376 ? 31.403 -11.130 15.689 1.00 16.67 ? 393 SER A N 1 ATOM 3052 C CA . SER A 1 376 ? 32.794 -10.739 15.478 1.00 16.19 ? 393 SER A CA 1 ATOM 3053 C C . SER A 1 376 ? 33.013 -10.089 14.104 1.00 15.77 ? 393 SER A C 1 ATOM 3054 O O . SER A 1 376 ? 34.081 -10.193 13.525 1.00 18.96 ? 393 SER A O 1 ATOM 3055 C CB . SER A 1 376 ? 33.771 -11.898 15.749 1.00 20.34 ? 393 SER A CB 1 ATOM 3056 O OG . SER A 1 376 ? 33.668 -12.944 14.802 1.00 21.27 ? 393 SER A OG 1 ATOM 3057 N N . GLY A 1 377 ? 31.980 -9.400 13.629 1.00 15.17 ? 394 GLY A N 1 ATOM 3058 C CA . GLY A 1 377 ? 31.973 -8.790 12.306 1.00 16.57 ? 394 GLY A CA 1 ATOM 3059 C C . GLY A 1 377 ? 31.471 -7.370 12.318 1.00 15.78 ? 394 GLY A C 1 ATOM 3060 O O . GLY A 1 377 ? 31.044 -6.841 13.347 1.00 16.02 ? 394 GLY A O 1 ATOM 3061 N N . VAL A 1 378 ? 31.497 -6.755 11.138 1.00 14.37 ? 395 VAL A N 1 ATOM 3062 C CA . VAL A 1 378 ? 31.061 -5.382 10.996 1.00 15.54 ? 395 VAL A CA 1 ATOM 3063 C C . VAL A 1 378 ? 30.115 -5.193 9.833 1.00 13.00 ? 395 VAL A C 1 ATOM 3064 O O . VAL A 1 378 ? 30.003 -6.038 8.930 1.00 16.47 ? 395 VAL A O 1 ATOM 3065 C CB . VAL A 1 378 ? 32.235 -4.422 10.742 1.00 16.13 ? 395 VAL A CB 1 ATOM 3066 C CG1 . VAL A 1 378 ? 33.143 -4.404 11.965 1.00 15.19 ? 395 VAL A CG1 1 ATOM 3067 C CG2 . VAL A 1 378 ? 32.997 -4.791 9.466 1.00 16.79 ? 395 VAL A CG2 1 ATOM 3068 N N . VAL A 1 379 ? 29.420 -4.064 9.897 1.00 15.87 ? 396 VAL A N 1 ATOM 3069 C CA . VAL A 1 379 ? 28.838 -3.402 8.734 1.00 14.84 ? 396 VAL A CA 1 ATOM 3070 C C . VAL A 1 379 ? 29.464 -2.016 8.704 1.00 16.04 ? 396 VAL A C 1 ATOM 3071 O O . VAL A 1 379 ? 29.576 -1.366 9.748 1.00 17.98 ? 396 VAL A O 1 ATOM 3072 C CB . VAL A 1 379 ? 27.299 -3.332 8.800 1.00 16.54 ? 396 VAL A CB 1 ATOM 3073 C CG1 . VAL A 1 379 ? 26.773 -2.416 7.690 1.00 17.73 ? 396 VAL A CG1 1 ATOM 3074 C CG2 . VAL A 1 379 ? 26.706 -4.734 8.671 1.00 17.79 ? 396 VAL A CG2 1 ATOM 3075 N N . MET A 1 380 ? 29.927 -1.586 7.534 1.00 16.93 ? 397 MET A N 1 ATOM 3076 C CA . MET A 1 380 ? 30.557 -0.284 7.406 1.00 14.83 ? 397 MET A CA 1 ATOM 3077 C C . MET A 1 380 ? 29.874 0.542 6.339 1.00 16.08 ? 397 MET A C 1 ATOM 3078 O O . MET A 1 380 ? 29.640 0.062 5.241 1.00 17.81 ? 397 MET A O 1 ATOM 3079 C CB . MET A 1 380 ? 32.035 -0.430 7.042 1.00 18.16 ? 397 MET A CB 1 ATOM 3080 C CG . MET A 1 380 ? 32.778 0.882 7.041 1.00 16.42 ? 397 MET A CG 1 ATOM 3081 S SD . MET A 1 380 ? 34.521 0.603 6.625 1.00 17.57 ? 397 MET A SD 1 ATOM 3082 C CE . MET A 1 380 ? 35.241 2.198 7.113 1.00 19.33 ? 397 MET A CE 1 ATOM 3083 N N . TRP A 1 381 ? 29.592 1.787 6.695 1.00 16.82 ? 398 TRP A N 1 ATOM 3084 C CA . TRP A 1 381 ? 28.961 2.751 5.780 1.00 16.06 ? 398 TRP A CA 1 ATOM 3085 C C . TRP A 1 381 ? 29.875 3.944 5.520 1.00 16.84 ? 398 TRP A C 1 ATOM 3086 O O . TRP A 1 381 ? 30.555 4.459 6.429 1.00 19.88 ? 398 TRP A O 1 ATOM 3087 C CB . TRP A 1 381 ? 27.672 3.292 6.385 1.00 17.80 ? 398 TRP A CB 1 ATOM 3088 C CG . TRP A 1 381 ? 26.472 2.414 6.331 1.00 19.10 ? 398 TRP A CG 1 ATOM 3089 C CD1 . TRP A 1 381 ? 26.401 1.121 5.917 1.00 20.87 ? 398 TRP A CD1 1 ATOM 3090 C CD2 . TRP A 1 381 ? 25.159 2.773 6.765 1.00 18.69 ? 398 TRP A CD2 1 ATOM 3091 N NE1 . TRP A 1 381 ? 25.113 0.661 6.045 1.00 21.90 ? 398 TRP A NE1 1 ATOM 3092 C CE2 . TRP A 1 381 ? 24.334 1.659 6.564 1.00 19.86 ? 398 TRP A CE2 1 ATOM 3093 C CE3 . TRP A 1 381 ? 24.599 3.951 7.273 1.00 23.18 ? 398 TRP A CE3 1 ATOM 3094 C CZ2 . TRP A 1 381 ? 22.965 1.677 6.854 1.00 22.41 ? 398 TRP A CZ2 1 ATOM 3095 C CZ3 . TRP A 1 381 ? 23.239 3.971 7.569 1.00 25.94 ? 398 TRP A CZ3 1 ATOM 3096 C CH2 . TRP A 1 381 ? 22.444 2.839 7.360 1.00 26.81 ? 398 TRP A CH2 1 ATOM 3097 N N . TYR A 1 382 ? 29.857 4.385 4.264 1.00 17.46 ? 399 TYR A N 1 ATOM 3098 C CA . TYR A 1 382 ? 30.398 5.667 3.855 1.00 17.11 ? 399 TYR A CA 1 ATOM 3099 C C . TYR A 1 382 ? 29.167 6.545 3.638 1.00 17.75 ? 399 TYR A C 1 ATOM 3100 O O . TYR A 1 382 ? 28.367 6.261 2.744 1.00 20.25 ? 399 TYR A O 1 ATOM 3101 C CB . TYR A 1 382 ? 31.198 5.519 2.556 1.00 17.25 ? 399 TYR A CB 1 ATOM 3102 C CG . TYR A 1 382 ? 31.705 6.810 1.992 1.00 17.81 ? 399 TYR A CG 1 ATOM 3103 C CD1 . TYR A 1 382 ? 32.581 7.613 2.708 1.00 21.56 ? 399 TYR A CD1 1 ATOM 3104 C CD2 . TYR A 1 382 ? 31.305 7.243 0.719 1.00 19.22 ? 399 TYR A CD2 1 ATOM 3105 C CE1 . TYR A 1 382 ? 33.044 8.835 2.175 1.00 22.22 ? 399 TYR A CE1 1 ATOM 3106 C CE2 . TYR A 1 382 ? 31.770 8.435 0.197 1.00 22.18 ? 399 TYR A CE2 1 ATOM 3107 C CZ . TYR A 1 382 ? 32.637 9.227 0.936 1.00 24.37 ? 399 TYR A CZ 1 ATOM 3108 O OH . TYR A 1 382 ? 33.107 10.427 0.429 1.00 25.54 ? 399 TYR A OH 1 ATOM 3109 N N . LEU A 1 383 ? 29.018 7.584 4.462 1.00 19.01 ? 400 LEU A N 1 ATOM 3110 C CA . LEU A 1 383 ? 27.809 8.398 4.553 1.00 23.97 ? 400 LEU A CA 1 ATOM 3111 C C . LEU A 1 383 ? 28.091 9.830 4.123 1.00 21.02 ? 400 LEU A C 1 ATOM 3112 O O . LEU A 1 383 ? 29.098 10.405 4.516 1.00 21.36 ? 400 LEU A O 1 ATOM 3113 C CB . LEU A 1 383 ? 27.348 8.397 6.020 1.00 25.61 ? 400 LEU A CB 1 ATOM 3114 C CG . LEU A 1 383 ? 26.081 9.090 6.491 1.00 31.26 ? 400 LEU A CG 1 ATOM 3115 C CD1 . LEU A 1 383 ? 24.874 8.205 6.258 1.00 29.84 ? 400 LEU A CD1 1 ATOM 3116 C CD2 . LEU A 1 383 ? 26.208 9.453 7.963 1.00 30.10 ? 400 LEU A CD2 1 ATOM 3117 N N . TYR A 1 384 ? 27.195 10.415 3.337 1.00 21.34 ? 401 TYR A N 1 ATOM 3118 C CA . TYR A 1 384 ? 27.393 11.776 2.872 1.00 22.89 ? 401 TYR A CA 1 ATOM 3119 C C . TYR A 1 384 ? 26.060 12.476 2.623 1.00 22.92 ? 401 TYR A C 1 ATOM 3120 O O . TYR A 1 384 ? 25.073 11.833 2.221 1.00 23.17 ? 401 TYR A O 1 ATOM 3121 C CB . TYR A 1 384 ? 28.245 11.799 1.591 1.00 22.85 ? 401 TYR A CB 1 ATOM 3122 C CG . TYR A 1 384 ? 27.834 10.744 0.599 1.00 20.97 ? 401 TYR A CG 1 ATOM 3123 C CD1 . TYR A 1 384 ? 26.920 11.019 -0.403 1.00 20.47 ? 401 TYR A CD1 1 ATOM 3124 C CD2 . TYR A 1 384 ? 28.320 9.452 0.703 1.00 25.34 ? 401 TYR A CD2 1 ATOM 3125 C CE1 . TYR A 1 384 ? 26.527 10.038 -1.295 1.00 28.11 ? 401 TYR A CE1 1 ATOM 3126 C CE2 . TYR A 1 384 ? 27.937 8.469 -0.173 1.00 22.99 ? 401 TYR A CE2 1 ATOM 3127 C CZ . TYR A 1 384 ? 27.042 8.759 -1.172 1.00 27.84 ? 401 TYR A CZ 1 ATOM 3128 O OH . TYR A 1 384 ? 26.662 7.764 -2.028 1.00 28.81 ? 401 TYR A OH 1 ATOM 3129 N N . PRO A 1 385 ? 26.027 13.803 2.837 1.00 24.65 ? 402 PRO A N 1 ATOM 3130 C CA . PRO A 1 385 ? 24.824 14.563 2.544 1.00 24.94 ? 402 PRO A CA 1 ATOM 3131 C C . PRO A 1 385 ? 24.499 14.557 1.047 1.00 25.26 ? 402 PRO A C 1 ATOM 3132 O O . PRO A 1 385 ? 25.425 14.499 0.209 1.00 24.97 ? 402 PRO A O 1 ATOM 3133 C CB . PRO A 1 385 ? 25.153 15.989 3.015 1.00 26.44 ? 402 PRO A CB 1 ATOM 3134 C CG . PRO A 1 385 ? 26.453 15.950 3.671 1.00 31.00 ? 402 PRO A CG 1 ATOM 3135 C CD . PRO A 1 385 ? 27.126 14.641 3.350 1.00 25.57 ? 402 PRO A CD 1 ATOM 3136 N N . ILE A 1 386 ? 23.209 14.559 0.725 1.00 26.06 ? 403 ILE A N 1 ATOM 3137 C CA . ILE A 1 386 ? 22.770 14.692 -0.662 1.00 25.92 ? 403 ILE A CA 1 ATOM 3138 C C . ILE A 1 386 ? 21.706 15.753 -0.845 1.00 32.99 ? 403 ILE A C 1 ATOM 3139 O O . ILE A 1 386 ? 21.006 16.114 0.106 1.00 30.73 ? 403 ILE A O 1 ATOM 3140 C CB . ILE A 1 386 ? 22.241 13.366 -1.249 1.00 30.96 ? 403 ILE A CB 1 ATOM 3141 C CG1 . ILE A 1 386 ? 21.110 12.783 -0.386 1.00 34.25 ? 403 ILE A CG1 1 ATOM 3142 C CG2 . ILE A 1 386 ? 23.375 12.376 -1.421 1.00 27.80 ? 403 ILE A CG2 1 ATOM 3143 C CD1 . ILE A 1 386 ? 20.292 11.733 -1.104 1.00 35.95 ? 403 ILE A CD1 1 ATOM 3144 N N . LYS A 1 387 ? 21.601 16.237 -2.082 1.00 34.07 ? 404 LYS A N 1 ATOM 3145 C CA . LYS A 1 387 ? 20.449 17.009 -2.542 1.00 49.28 ? 404 LYS A CA 1 ATOM 3146 C C . LYS A 1 387 ? 19.564 16.149 -3.454 1.00 55.49 ? 404 LYS A C 1 ATOM 3147 O O . LYS A 1 387 ? 19.998 15.115 -3.989 1.00 47.38 ? 404 LYS A O 1 ATOM 3148 C CB . LYS A 1 387 ? 20.914 18.249 -3.293 1.00 44.58 ? 404 LYS A CB 1 ATOM 3149 C CG . LYS A 1 387 ? 21.746 19.207 -2.432 1.00 71.62 ? 404 LYS A CG 1 ATOM 3150 C CD . LYS A 1 387 ? 23.199 19.327 -2.899 1.00 76.23 ? 404 LYS A CD 1 ATOM 3151 C CE . LYS A 1 387 ? 23.392 20.502 -3.874 1.00 84.10 ? 404 LYS A CE 1 ATOM 3152 N NZ . LYS A 1 387 ? 22.422 20.504 -5.006 1.00 86.23 ? 404 LYS A NZ 1 ATOM 3153 N N . LEU B 1 1 ? 24.678 -44.908 30.290 1.00 21.24 ? 18 LEU B N 1 ATOM 3154 C CA . LEU B 1 1 ? 23.272 -45.397 30.506 1.00 22.76 ? 18 LEU B CA 1 ATOM 3155 C C . LEU B 1 1 ? 23.057 -46.652 29.658 1.00 27.44 ? 18 LEU B C 1 ATOM 3156 O O . LEU B 1 1 ? 23.273 -46.637 28.431 1.00 24.25 ? 18 LEU B O 1 ATOM 3157 C CB . LEU B 1 1 ? 22.259 -44.308 30.148 1.00 22.64 ? 18 LEU B CB 1 ATOM 3158 C CG . LEU B 1 1 ? 20.765 -44.632 30.072 1.00 23.96 ? 18 LEU B CG 1 ATOM 3159 C CD1 . LEU B 1 1 ? 20.257 -45.181 31.418 1.00 25.08 ? 18 LEU B CD1 1 ATOM 3160 C CD2 . LEU B 1 1 ? 19.969 -43.371 29.649 1.00 20.47 ? 18 LEU B CD2 1 ATOM 3161 N N . ASP B 1 2 ? 22.627 -47.729 30.315 1.00 24.73 ? 19 ASP B N 1 ATOM 3162 C CA . ASP B 1 2 ? 22.539 -49.046 29.692 1.00 26.33 ? 19 ASP B CA 1 ATOM 3163 C C . ASP B 1 2 ? 21.216 -49.229 28.951 1.00 27.24 ? 19 ASP B C 1 ATOM 3164 O O . ASP B 1 2 ? 20.443 -50.135 29.262 1.00 27.63 ? 19 ASP B O 1 ATOM 3165 C CB . ASP B 1 2 ? 22.704 -50.128 30.782 1.00 26.85 ? 19 ASP B CB 1 ATOM 3166 C CG . ASP B 1 2 ? 22.809 -51.547 30.221 1.00 30.57 ? 19 ASP B CG 1 ATOM 3167 O OD1 . ASP B 1 2 ? 23.240 -51.724 29.062 1.00 35.04 ? 19 ASP B OD1 1 ATOM 3168 O OD2 . ASP B 1 2 ? 22.480 -52.489 30.973 1.00 34.34 ? 19 ASP B OD2 1 ATOM 3169 N N . ASN B 1 3 ? 20.960 -48.377 27.963 1.00 23.37 ? 20 ASN B N 1 ATOM 3170 C CA . ASN B 1 3 ? 19.710 -48.438 27.187 1.00 25.02 ? 20 ASN B CA 1 ATOM 3171 C C . ASN B 1 3 ? 19.934 -48.843 25.720 1.00 22.60 ? 20 ASN B C 1 ATOM 3172 O O . ASN B 1 3 ? 19.042 -48.687 24.887 1.00 27.94 ? 20 ASN B O 1 ATOM 3173 C CB . ASN B 1 3 ? 18.955 -47.105 27.264 1.00 24.36 ? 20 ASN B CB 1 ATOM 3174 C CG . ASN B 1 3 ? 19.750 -45.941 26.677 1.00 23.66 ? 20 ASN B CG 1 ATOM 3175 O OD1 . ASN B 1 3 ? 20.888 -46.122 26.221 1.00 22.44 ? 20 ASN B OD1 1 ATOM 3176 N ND2 . ASN B 1 3 ? 19.163 -44.751 26.695 1.00 23.93 ? 20 ASN B ND2 1 ATOM 3177 N N . GLY B 1 4 ? 21.127 -49.342 25.416 1.00 26.26 ? 21 GLY B N 1 ATOM 3178 C CA . GLY B 1 4 ? 21.457 -49.828 24.090 1.00 28.29 ? 21 GLY B CA 1 ATOM 3179 C C . GLY B 1 4 ? 21.854 -48.729 23.117 1.00 29.78 ? 21 GLY B C 1 ATOM 3180 O O . GLY B 1 4 ? 22.228 -49.023 21.979 1.00 30.15 ? 21 GLY B O 1 ATOM 3181 N N . LEU B 1 5 ? 21.805 -47.475 23.563 1.00 22.07 ? 22 LEU B N 1 ATOM 3182 C CA . LEU B 1 5 ? 22.033 -46.348 22.663 1.00 21.57 ? 22 LEU B CA 1 ATOM 3183 C C . LEU B 1 5 ? 23.405 -45.721 22.811 1.00 21.33 ? 22 LEU B C 1 ATOM 3184 O O . LEU B 1 5 ? 24.042 -45.791 23.872 1.00 22.14 ? 22 LEU B O 1 ATOM 3185 C CB . LEU B 1 5 ? 20.981 -45.259 22.862 1.00 20.54 ? 22 LEU B CB 1 ATOM 3186 C CG . LEU B 1 5 ? 19.520 -45.653 22.623 1.00 24.38 ? 22 LEU B CG 1 ATOM 3187 C CD1 . LEU B 1 5 ? 18.611 -44.497 22.969 1.00 23.87 ? 22 LEU B CD1 1 ATOM 3188 C CD2 . LEU B 1 5 ? 19.286 -46.145 21.193 1.00 27.78 ? 22 LEU B CD2 1 ATOM 3189 N N . LEU B 1 6 ? 23.844 -45.086 21.728 1.00 21.45 ? 23 LEU B N 1 ATOM 3190 C CA . LEU B 1 6 ? 25.060 -44.263 21.730 1.00 19.85 ? 23 LEU B CA 1 ATOM 3191 C C . LEU B 1 6 ? 26.279 -45.056 22.204 1.00 19.17 ? 23 LEU B C 1 ATOM 3192 O O . LEU B 1 6 ? 27.079 -44.598 23.042 1.00 19.56 ? 23 LEU B O 1 ATOM 3193 C CB . LEU B 1 6 ? 24.849 -42.963 22.529 1.00 21.66 ? 23 LEU B CB 1 ATOM 3194 C CG . LEU B 1 6 ? 23.700 -42.040 22.067 1.00 22.28 ? 23 LEU B CG 1 ATOM 3195 C CD1 . LEU B 1 6 ? 23.748 -40.677 22.746 1.00 20.50 ? 23 LEU B CD1 1 ATOM 3196 C CD2 . LEU B 1 6 ? 23.639 -41.887 20.553 1.00 25.12 ? 23 LEU B CD2 1 ATOM 3197 N N . GLN B 1 7 ? 26.430 -46.254 21.642 1.00 21.59 ? 24 GLN B N 1 ATOM 3198 C CA . GLN B 1 7 ? 27.625 -47.060 21.832 1.00 22.13 ? 24 GLN B CA 1 ATOM 3199 C C . GLN B 1 7 ? 28.847 -46.387 21.221 1.00 19.38 ? 24 GLN B C 1 ATOM 3200 O O . GLN B 1 7 ? 29.979 -46.755 21.529 1.00 20.27 ? 24 GLN B O 1 ATOM 3201 C CB . GLN B 1 7 ? 27.412 -48.468 21.254 1.00 25.84 ? 24 GLN B CB 1 ATOM 3202 C CG . GLN B 1 7 ? 26.306 -49.243 21.964 1.00 29.00 ? 24 GLN B CG 1 ATOM 3203 C CD . GLN B 1 7 ? 26.525 -49.301 23.466 1.00 36.05 ? 24 GLN B CD 1 ATOM 3204 O OE1 . GLN B 1 7 ? 25.741 -48.760 24.244 1.00 49.91 ? 24 GLN B OE1 1 ATOM 3205 N NE2 . GLN B 1 7 ? 27.611 -49.934 23.874 1.00 28.54 ? 24 GLN B NE2 1 ATOM 3206 N N . THR B 1 8 ? 28.595 -45.412 20.340 1.00 19.75 ? 25 THR B N 1 ATOM 3207 C CA . THR B 1 8 ? 29.595 -44.474 19.844 1.00 17.85 ? 25 THR B CA 1 ATOM 3208 C C . THR B 1 8 ? 29.006 -43.077 20.070 1.00 17.60 ? 25 THR B C 1 ATOM 3209 O O . THR B 1 8 ? 27.803 -42.946 20.304 1.00 18.64 ? 25 THR B O 1 ATOM 3210 C CB . THR B 1 8 ? 29.870 -44.669 18.345 1.00 19.41 ? 25 THR B CB 1 ATOM 3211 O OG1 . THR B 1 8 ? 28.655 -44.493 17.621 1.00 20.66 ? 25 THR B OG1 1 ATOM 3212 C CG2 . THR B 1 8 ? 30.446 -46.053 18.025 1.00 21.91 ? 25 THR B CG2 1 ATOM 3213 N N . PRO B 1 9 ? 29.837 -42.028 20.026 1.00 16.57 ? 26 PRO B N 1 ATOM 3214 C CA . PRO B 1 9 ? 29.282 -40.711 20.362 1.00 17.99 ? 26 PRO B CA 1 ATOM 3215 C C . PRO B 1 9 ? 28.187 -40.295 19.395 1.00 18.98 ? 26 PRO B C 1 ATOM 3216 O O . PRO B 1 9 ? 28.246 -40.654 18.209 1.00 19.51 ? 26 PRO B O 1 ATOM 3217 C CB . PRO B 1 9 ? 30.512 -39.774 20.276 1.00 17.26 ? 26 PRO B CB 1 ATOM 3218 C CG . PRO B 1 9 ? 31.663 -40.675 20.583 1.00 17.42 ? 26 PRO B CG 1 ATOM 3219 C CD . PRO B 1 9 ? 31.307 -41.995 19.914 1.00 17.03 ? 26 PRO B CD 1 ATOM 3220 N N . PRO B 1 10 ? 27.173 -39.566 19.880 1.00 17.25 ? 27 PRO B N 1 ATOM 3221 C CA . PRO B 1 10 ? 26.157 -39.148 18.931 1.00 17.18 ? 27 PRO B CA 1 ATOM 3222 C C . PRO B 1 10 ? 26.680 -38.146 17.908 1.00 19.01 ? 27 PRO B C 1 ATOM 3223 O O . PRO B 1 10 ? 27.493 -37.287 18.253 1.00 17.57 ? 27 PRO B O 1 ATOM 3224 C CB . PRO B 1 10 ? 25.099 -38.494 19.815 1.00 18.92 ? 27 PRO B CB 1 ATOM 3225 C CG . PRO B 1 10 ? 25.845 -37.989 21.005 1.00 19.89 ? 27 PRO B CG 1 ATOM 3226 C CD . PRO B 1 10 ? 26.956 -38.994 21.223 1.00 18.66 ? 27 PRO B CD 1 ATOM 3227 N N . MET B 1 11 ? 26.186 -38.253 16.677 1.00 16.52 ? 28 MET B N 1 ATOM 3228 C CA . MET B 1 11 ? 26.496 -37.315 15.599 1.00 17.59 ? 28 MET B CA 1 ATOM 3229 C C . MET B 1 11 ? 25.177 -36.765 15.088 1.00 18.32 ? 28 MET B C 1 ATOM 3230 O O . MET B 1 11 ? 24.195 -37.503 14.889 1.00 20.11 ? 28 MET B O 1 ATOM 3231 C CB . MET B 1 11 ? 27.213 -38.019 14.449 1.00 18.16 ? 28 MET B CB 1 ATOM 3232 C CG . MET B 1 11 ? 28.525 -38.679 14.797 1.00 19.39 ? 28 MET B CG 1 ATOM 3233 S SD . MET B 1 11 ? 29.227 -39.663 13.461 1.00 20.23 ? 28 MET B SD 1 ATOM 3234 C CE . MET B 1 11 ? 29.307 -38.463 12.103 1.00 21.34 ? 28 MET B CE 1 ATOM 3235 N N . GLY B 1 12 ? 25.144 -35.462 14.849 1.00 16.70 ? 29 GLY B N 1 ATOM 3236 C CA . GLY B 1 12 ? 23.957 -34.863 14.257 1.00 20.69 ? 29 GLY B CA 1 ATOM 3237 C C . GLY B 1 12 ? 24.059 -33.360 14.264 1.00 18.51 ? 29 GLY B C 1 ATOM 3238 O O . GLY B 1 12 ? 25.145 -32.806 14.072 1.00 17.93 ? 29 GLY B O 1 ATOM 3239 N N . TRP B 1 13 ? 22.928 -32.725 14.545 1.00 19.54 ? 30 TRP B N 1 ATOM 3240 C CA . TRP B 1 13 ? 22.755 -31.302 14.403 1.00 16.21 ? 30 TRP B CA 1 ATOM 3241 C C . TRP B 1 13 ? 21.805 -30.843 15.481 1.00 22.12 ? 30 TRP B C 1 ATOM 3242 O O . TRP B 1 13 ? 20.780 -31.484 15.735 1.00 22.50 ? 30 TRP B O 1 ATOM 3243 C CB . TRP B 1 13 ? 22.178 -30.992 13.014 1.00 16.04 ? 30 TRP B CB 1 ATOM 3244 C CG . TRP B 1 13 ? 21.965 -29.542 12.688 1.00 17.54 ? 30 TRP B CG 1 ATOM 3245 C CD1 . TRP B 1 13 ? 22.789 -28.735 11.958 1.00 19.69 ? 30 TRP B CD1 1 ATOM 3246 C CD2 . TRP B 1 13 ? 20.816 -28.745 13.020 1.00 18.76 ? 30 TRP B CD2 1 ATOM 3247 N NE1 . TRP B 1 13 ? 22.237 -27.476 11.835 1.00 23.34 ? 30 TRP B NE1 1 ATOM 3248 C CE2 . TRP B 1 13 ? 21.026 -27.459 12.478 1.00 24.91 ? 30 TRP B CE2 1 ATOM 3249 C CE3 . TRP B 1 13 ? 19.633 -28.996 13.730 1.00 21.87 ? 30 TRP B CE3 1 ATOM 3250 C CZ2 . TRP B 1 13 ? 20.099 -26.421 12.630 1.00 22.63 ? 30 TRP B CZ2 1 ATOM 3251 C CZ3 . TRP B 1 13 ? 18.708 -27.959 13.874 1.00 27.08 ? 30 TRP B CZ3 1 ATOM 3252 C CH2 . TRP B 1 13 ? 18.949 -26.695 13.319 1.00 26.82 ? 30 TRP B CH2 1 ATOM 3253 N N . LEU B 1 14 ? 22.160 -29.728 16.103 1.00 17.94 ? 31 LEU B N 1 ATOM 3254 C CA . LEU B 1 14 ? 21.434 -29.135 17.211 1.00 18.07 ? 31 LEU B CA 1 ATOM 3255 C C . LEU B 1 14 ? 21.214 -27.674 16.885 1.00 21.34 ? 31 LEU B C 1 ATOM 3256 O O . LEU B 1 14 ? 22.138 -27.000 16.430 1.00 20.74 ? 31 LEU B O 1 ATOM 3257 C CB . LEU B 1 14 ? 22.284 -29.286 18.466 1.00 21.26 ? 31 LEU B CB 1 ATOM 3258 C CG . LEU B 1 14 ? 21.648 -29.456 19.828 1.00 26.06 ? 31 LEU B CG 1 ATOM 3259 C CD1 . LEU B 1 14 ? 22.714 -29.750 20.832 1.00 20.85 ? 31 LEU B CD1 1 ATOM 3260 C CD2 . LEU B 1 14 ? 20.916 -28.195 20.207 1.00 34.38 ? 31 LEU B CD2 1 ATOM 3261 N N . ALA B 1 15 ? 20.002 -27.174 17.121 1.00 22.58 ? 32 ALA B N 1 ATOM 3262 C CA . ALA B 1 15 ? 19.621 -25.839 16.654 1.00 21.31 ? 32 ALA B CA 1 ATOM 3263 C C . ALA B 1 15 ? 20.316 -24.696 17.404 1.00 19.45 ? 32 ALA B C 1 ATOM 3264 O O . ALA B 1 15 ? 20.480 -23.609 16.859 1.00 22.07 ? 32 ALA B O 1 ATOM 3265 C CB . ALA B 1 15 ? 18.102 -25.662 16.734 1.00 22.53 ? 32 ALA B CB 1 ATOM 3266 N N . TRP B 1 16 ? 20.748 -24.941 18.636 1.00 19.79 ? 33 TRP B N 1 ATOM 3267 C CA . TRP B 1 16 ? 20.974 -23.847 19.570 1.00 16.32 ? 33 TRP B CA 1 ATOM 3268 C C . TRP B 1 16 ? 22.102 -22.869 19.209 1.00 20.75 ? 33 TRP B C 1 ATOM 3269 O O . TRP B 1 16 ? 21.886 -21.659 19.179 1.00 20.36 ? 33 TRP B O 1 ATOM 3270 C CB . TRP B 1 16 ? 21.233 -24.356 20.971 1.00 17.98 ? 33 TRP B CB 1 ATOM 3271 C CG . TRP B 1 16 ? 21.427 -23.238 21.912 1.00 17.19 ? 33 TRP B CG 1 ATOM 3272 C CD1 . TRP B 1 16 ? 22.611 -22.838 22.469 1.00 20.68 ? 33 TRP B CD1 1 ATOM 3273 C CD2 . TRP B 1 16 ? 20.440 -22.287 22.345 1.00 20.04 ? 33 TRP B CD2 1 ATOM 3274 N NE1 . TRP B 1 16 ? 22.424 -21.732 23.231 1.00 20.15 ? 33 TRP B NE1 1 ATOM 3275 C CE2 . TRP B 1 16 ? 21.098 -21.366 23.178 1.00 17.96 ? 33 TRP B CE2 1 ATOM 3276 C CE3 . TRP B 1 16 ? 19.064 -22.140 22.129 1.00 20.30 ? 33 TRP B CE3 1 ATOM 3277 C CZ2 . TRP B 1 16 ? 20.435 -20.309 23.804 1.00 24.44 ? 33 TRP B CZ2 1 ATOM 3278 C CZ3 . TRP B 1 16 ? 18.401 -21.071 22.735 1.00 22.63 ? 33 TRP B CZ3 1 ATOM 3279 C CH2 . TRP B 1 16 ? 19.086 -20.172 23.566 1.00 21.72 ? 33 TRP B CH2 1 ATOM 3280 N N . GLU B 1 17 ? 23.313 -23.357 18.981 1.00 18.00 ? 34 GLU B N 1 ATOM 3281 C CA . GLU B 1 17 ? 24.421 -22.410 18.831 1.00 17.02 ? 34 GLU B CA 1 ATOM 3282 C C . GLU B 1 17 ? 24.143 -21.415 17.713 1.00 15.31 ? 34 GLU B C 1 ATOM 3283 O O . GLU B 1 17 ? 24.383 -20.228 17.879 1.00 18.43 ? 34 GLU B O 1 ATOM 3284 C CB . GLU B 1 17 ? 25.754 -23.118 18.572 1.00 16.67 ? 34 GLU B CB 1 ATOM 3285 C CG . GLU B 1 17 ? 26.981 -22.317 19.043 1.00 16.89 ? 34 GLU B CG 1 ATOM 3286 C CD . GLU B 1 17 ? 27.299 -21.136 18.143 1.00 19.49 ? 34 GLU B CD 1 ATOM 3287 O OE1 . GLU B 1 17 ? 27.216 -21.295 16.898 1.00 17.73 ? 34 GLU B OE1 1 ATOM 3288 O OE2 . GLU B 1 17 ? 27.567 -20.053 18.686 1.00 18.17 ? 34 GLU B OE2 1 ATOM 3289 N N . ARG B 1 18 ? 23.671 -21.885 16.559 1.00 18.78 ? 35 ARG B N 1 ATOM 3290 C CA . ARG B 1 18 ? 23.570 -21.007 15.396 1.00 17.54 ? 35 ARG B CA 1 ATOM 3291 C C . ARG B 1 18 ? 22.242 -20.256 15.341 1.00 21.17 ? 35 ARG B C 1 ATOM 3292 O O . ARG B 1 18 ? 22.173 -19.142 14.806 1.00 20.01 ? 35 ARG B O 1 ATOM 3293 C CB . ARG B 1 18 ? 23.751 -21.812 14.104 1.00 17.47 ? 35 ARG B CB 1 ATOM 3294 C CG . ARG B 1 18 ? 23.515 -21.020 12.815 1.00 17.22 ? 35 ARG B CG 1 ATOM 3295 C CD . ARG B 1 18 ? 24.448 -19.842 12.670 1.00 17.70 ? 35 ARG B CD 1 ATOM 3296 N NE . ARG B 1 18 ? 24.132 -19.104 11.457 1.00 19.08 ? 35 ARG B NE 1 ATOM 3297 C CZ . ARG B 1 18 ? 23.125 -18.244 11.308 1.00 21.54 ? 35 ARG B CZ 1 ATOM 3298 N NH1 . ARG B 1 18 ? 22.310 -17.936 12.302 1.00 23.41 ? 35 ARG B NH1 1 ATOM 3299 N NH2 . ARG B 1 18 ? 22.928 -17.664 10.123 1.00 24.74 ? 35 ARG B NH2 1 ATOM 3300 N N . PHE B 1 19 ? 21.176 -20.867 15.852 1.00 20.75 ? 36 PHE B N 1 ATOM 3301 C CA . PHE B 1 19 ? 19.823 -20.287 15.671 1.00 22.11 ? 36 PHE B CA 1 ATOM 3302 C C . PHE B 1 19 ? 19.192 -19.788 16.972 1.00 21.43 ? 36 PHE B C 1 ATOM 3303 O O . PHE B 1 19 ? 18.253 -18.975 16.937 1.00 22.92 ? 36 PHE B O 1 ATOM 3304 C CB . PHE B 1 19 ? 18.921 -21.234 14.869 1.00 23.80 ? 36 PHE B CB 1 ATOM 3305 C CG . PHE B 1 19 ? 19.421 -21.493 13.489 1.00 20.84 ? 36 PHE B CG 1 ATOM 3306 C CD1 . PHE B 1 19 ? 19.195 -20.569 12.464 1.00 26.60 ? 36 PHE B CD1 1 ATOM 3307 C CD2 . PHE B 1 19 ? 20.172 -22.619 13.212 1.00 23.44 ? 36 PHE B CD2 1 ATOM 3308 C CE1 . PHE B 1 19 ? 19.691 -20.780 11.189 1.00 23.77 ? 36 PHE B CE1 1 ATOM 3309 C CE2 . PHE B 1 19 ? 20.666 -22.846 11.937 1.00 24.38 ? 36 PHE B CE2 1 ATOM 3310 C CZ . PHE B 1 19 ? 20.421 -21.936 10.925 1.00 25.98 ? 36 PHE B CZ 1 ATOM 3311 N N . ARG B 1 20 ? 19.749 -20.230 18.107 1.00 22.18 ? 37 ARG B N 1 ATOM 3312 C CA . ARG B 1 20 ? 19.450 -19.682 19.437 1.00 19.43 ? 37 ARG B CA 1 ATOM 3313 C C . ARG B 1 20 ? 17.926 -19.621 19.713 1.00 23.34 ? 37 ARG B C 1 ATOM 3314 O O . ARG B 1 20 ? 17.217 -20.584 19.423 1.00 24.89 ? 37 ARG B O 1 ATOM 3315 C CB . ARG B 1 20 ? 20.129 -18.327 19.659 1.00 23.61 ? 37 ARG B CB 1 ATOM 3316 C CG . ARG B 1 20 ? 21.655 -18.330 19.476 1.00 21.29 ? 37 ARG B CG 1 ATOM 3317 C CD . ARG B 1 20 ? 22.368 -18.970 20.667 1.00 21.78 ? 37 ARG B CD 1 ATOM 3318 N NE . ARG B 1 20 ? 23.796 -19.174 20.409 1.00 19.00 ? 37 ARG B NE 1 ATOM 3319 C CZ . ARG B 1 20 ? 24.788 -18.835 21.233 1.00 18.83 ? 37 ARG B CZ 1 ATOM 3320 N NH1 . ARG B 1 20 ? 24.543 -18.259 22.404 1.00 22.56 ? 37 ARG B NH1 1 ATOM 3321 N NH2 . ARG B 1 20 ? 26.053 -19.084 20.879 1.00 18.30 ? 37 ARG B NH2 1 ATOM 3322 N N . CYS B 1 21 ? 17.437 -18.488 20.221 1.00 23.78 ? 38 CYS B N 1 ATOM 3323 C CA . CYS B 1 21 ? 16.034 -18.325 20.565 1.00 27.16 ? 38 CYS B CA 1 ATOM 3324 C C . CYS B 1 21 ? 15.340 -17.322 19.660 1.00 32.45 ? 38 CYS B C 1 ATOM 3325 O O . CYS B 1 21 ? 14.562 -16.472 20.113 1.00 32.04 ? 38 CYS B O 1 ATOM 3326 C CB . CYS B 1 21 ? 15.912 -17.931 22.034 1.00 24.22 ? 38 CYS B CB 1 ATOM 3327 S SG . CYS B 1 21 ? 14.231 -18.175 22.706 1.00 30.78 ? 38 CYS B SG 1 ATOM 3328 N N . ASN B 1 22 ? 15.613 -17.454 18.366 1.00 29.58 ? 39 ASN B N 1 ATOM 3329 C CA . ASN B 1 22 ? 14.986 -16.619 17.349 1.00 28.70 ? 39 ASN B CA 1 ATOM 3330 C C . ASN B 1 22 ? 13.600 -17.146 17.045 1.00 28.33 ? 39 ASN B C 1 ATOM 3331 O O . ASN B 1 22 ? 13.444 -18.190 16.397 1.00 33.64 ? 39 ASN B O 1 ATOM 3332 C CB . ASN B 1 22 ? 15.831 -16.635 16.093 1.00 28.31 ? 39 ASN B CB 1 ATOM 3333 C CG . ASN B 1 22 ? 15.330 -15.670 15.034 1.00 33.20 ? 39 ASN B CG 1 ATOM 3334 O OD1 . ASN B 1 22 ? 14.297 -14.992 15.201 1.00 38.80 ? 39 ASN B OD1 1 ATOM 3335 N ND2 . ASN B 1 22 ? 16.054 -15.610 13.920 1.00 30.61 ? 39 ASN B ND2 1 ATOM 3336 N N . ILE B 1 23 ? 12.590 -16.421 17.524 1.00 34.92 ? 40 ILE B N 1 ATOM 3337 C CA . ILE B 1 23 ? 11.194 -16.809 17.333 1.00 32.52 ? 40 ILE B CA 1 ATOM 3338 C C . ILE B 1 23 ? 10.440 -15.823 16.436 1.00 37.07 ? 40 ILE B C 1 ATOM 3339 O O . ILE B 1 23 ? 9.232 -15.951 16.267 1.00 41.24 ? 40 ILE B O 1 ATOM 3340 C CB . ILE B 1 23 ? 10.473 -16.972 18.701 1.00 36.05 ? 40 ILE B CB 1 ATOM 3341 C CG1 . ILE B 1 23 ? 10.494 -15.663 19.510 1.00 42.19 ? 40 ILE B CG1 1 ATOM 3342 C CG2 . ILE B 1 23 ? 11.161 -18.061 19.509 1.00 34.21 ? 40 ILE B CG2 1 ATOM 3343 C CD1 . ILE B 1 23 ? 9.438 -15.591 20.610 1.00 52.50 ? 40 ILE B CD1 1 ATOM 3344 N N . ASN B 1 24 ? 11.159 -14.875 15.838 1.00 39.76 ? 41 ASN B N 1 ATOM 3345 C CA . ASN B 1 24 ? 10.530 -13.839 15.014 1.00 39.98 ? 41 ASN B CA 1 ATOM 3346 C C . ASN B 1 24 ? 10.356 -14.326 13.574 1.00 35.29 ? 41 ASN B C 1 ATOM 3347 O O . ASN B 1 24 ? 11.124 -13.945 12.677 1.00 37.32 ? 41 ASN B O 1 ATOM 3348 C CB . ASN B 1 24 ? 11.372 -12.562 15.064 1.00 37.83 ? 41 ASN B CB 1 ATOM 3349 C CG . ASN B 1 24 ? 10.605 -11.331 14.597 1.00 56.48 ? 41 ASN B CG 1 ATOM 3350 O OD1 . ASN B 1 24 ? 9.565 -11.433 13.936 1.00 56.95 ? 41 ASN B OD1 1 ATOM 3351 N ND2 . ASN B 1 24 ? 11.118 -10.157 14.947 1.00 60.83 ? 41 ASN B ND2 1 ATOM 3352 N N . CYS B 1 25 ? 9.347 -15.168 13.354 1.00 37.75 ? 42 CYS B N 1 ATOM 3353 C CA . CYS B 1 25 ? 9.135 -15.756 12.029 1.00 45.77 ? 42 CYS B CA 1 ATOM 3354 C C . CYS B 1 25 ? 8.517 -14.753 11.058 1.00 44.88 ? 42 CYS B C 1 ATOM 3355 O O . CYS B 1 25 ? 8.731 -14.851 9.849 1.00 49.58 ? 42 CYS B O 1 ATOM 3356 C CB . CYS B 1 25 ? 8.292 -17.034 12.110 1.00 45.39 ? 42 CYS B CB 1 ATOM 3357 S SG . CYS B 1 25 ? 9.063 -18.357 13.097 1.00 47.79 ? 42 CYS B SG 1 ATOM 3358 N N . ASP B 1 26 ? 7.786 -13.775 11.584 1.00 52.26 ? 43 ASP B N 1 ATOM 3359 C CA . ASP B 1 26 ? 7.183 -12.735 10.736 1.00 53.05 ? 43 ASP B CA 1 ATOM 3360 C C . ASP B 1 26 ? 8.262 -11.936 10.000 1.00 50.86 ? 43 ASP B C 1 ATOM 3361 O O . ASP B 1 26 ? 8.128 -11.639 8.809 1.00 58.63 ? 43 ASP B O 1 ATOM 3362 C CB . ASP B 1 26 ? 6.325 -11.784 11.573 1.00 52.74 ? 43 ASP B CB 1 ATOM 3363 C CG . ASP B 1 26 ? 5.028 -12.420 12.068 1.00 64.50 ? 43 ASP B CG 1 ATOM 3364 O OD1 . ASP B 1 26 ? 4.625 -13.500 11.574 1.00 64.38 ? 43 ASP B OD1 1 ATOM 3365 O OD2 . ASP B 1 26 ? 4.405 -11.821 12.969 1.00 70.61 ? 43 ASP B OD2 1 ATOM 3366 N N . GLU B 1 27 ? 9.332 -11.596 10.714 1.00 46.90 ? 44 GLU B N 1 ATOM 3367 C CA . GLU B 1 27 ? 10.435 -10.814 10.150 1.00 49.31 ? 44 GLU B CA 1 ATOM 3368 C C . GLU B 1 27 ? 11.601 -11.665 9.637 1.00 46.26 ? 44 GLU B C 1 ATOM 3369 O O . GLU B 1 27 ? 12.390 -11.190 8.814 1.00 45.05 ? 44 GLU B O 1 ATOM 3370 C CB . GLU B 1 27 ? 10.960 -9.821 11.194 1.00 58.08 ? 44 GLU B CB 1 ATOM 3371 C CG . GLU B 1 27 ? 9.916 -8.816 11.670 1.00 75.56 ? 44 GLU B CG 1 ATOM 3372 C CD . GLU B 1 27 ? 10.534 -7.588 12.317 1.00 84.55 ? 44 GLU B CD 1 ATOM 3373 O OE1 . GLU B 1 27 ? 11.398 -7.751 13.205 1.00 90.42 ? 44 GLU B OE1 1 ATOM 3374 O OE2 . GLU B 1 27 ? 10.154 -6.459 11.936 1.00 87.26 ? 44 GLU B OE2 1 ATOM 3375 N N . ASP B 1 28 ? 11.720 -12.901 10.130 1.00 39.73 ? 45 ASP B N 1 ATOM 3376 C CA . ASP B 1 28 ? 12.881 -13.746 9.828 1.00 41.96 ? 45 ASP B CA 1 ATOM 3377 C C . ASP B 1 28 ? 12.459 -15.223 9.626 1.00 42.58 ? 45 ASP B C 1 ATOM 3378 O O . ASP B 1 28 ? 12.930 -16.126 10.322 1.00 37.97 ? 45 ASP B O 1 ATOM 3379 C CB . ASP B 1 28 ? 13.911 -13.574 10.963 1.00 40.19 ? 45 ASP B CB 1 ATOM 3380 C CG . ASP B 1 28 ? 15.308 -14.068 10.597 1.00 38.55 ? 45 ASP B CG 1 ATOM 3381 O OD1 . ASP B 1 28 ? 15.561 -14.384 9.415 1.00 42.49 ? 45 ASP B OD1 1 ATOM 3382 O OD2 . ASP B 1 28 ? 16.154 -14.152 11.518 1.00 39.95 ? 45 ASP B OD2 1 ATOM 3383 N N . PRO B 1 29 ? 11.575 -15.478 8.649 1.00 43.23 ? 46 PRO B N 1 ATOM 3384 C CA . PRO B 1 29 ? 11.011 -16.825 8.478 1.00 43.99 ? 46 PRO B CA 1 ATOM 3385 C C . PRO B 1 29 ? 12.009 -17.940 8.128 1.00 44.02 ? 46 PRO B C 1 ATOM 3386 O O . PRO B 1 29 ? 11.742 -19.105 8.423 1.00 44.74 ? 46 PRO B O 1 ATOM 3387 C CB . PRO B 1 29 ? 9.994 -16.637 7.332 1.00 47.20 ? 46 PRO B CB 1 ATOM 3388 C CG . PRO B 1 29 ? 10.444 -15.424 6.611 1.00 49.42 ? 46 PRO B CG 1 ATOM 3389 C CD . PRO B 1 29 ? 11.015 -14.527 7.664 1.00 41.47 ? 46 PRO B CD 1 ATOM 3390 N N . LYS B 1 30 ? 13.140 -17.602 7.512 1.00 43.70 ? 47 LYS B N 1 ATOM 3391 C CA . LYS B 1 30 ? 14.116 -18.622 7.106 1.00 40.61 ? 47 LYS B CA 1 ATOM 3392 C C . LYS B 1 30 ? 14.979 -19.114 8.257 1.00 40.97 ? 47 LYS B C 1 ATOM 3393 O O . LYS B 1 30 ? 15.533 -20.210 8.188 1.00 33.72 ? 47 LYS B O 1 ATOM 3394 C CB . LYS B 1 30 ? 15.031 -18.088 6.004 1.00 45.07 ? 47 LYS B CB 1 ATOM 3395 C CG . LYS B 1 30 ? 14.307 -17.669 4.733 1.00 54.64 ? 47 LYS B CG 1 ATOM 3396 C CD . LYS B 1 30 ? 15.286 -17.237 3.637 1.00 72.50 ? 47 LYS B CD 1 ATOM 3397 C CE . LYS B 1 30 ? 15.890 -15.857 3.898 1.00 80.00 ? 47 LYS B CE 1 ATOM 3398 N NZ . LYS B 1 30 ? 14.880 -14.766 3.791 1.00 88.02 ? 47 LYS B NZ 1 ATOM 3399 N N . ASN B 1 31 ? 15.098 -18.301 9.304 1.00 28.10 ? 48 ASN B N 1 ATOM 3400 C CA . ASN B 1 31 ? 16.021 -18.582 10.388 1.00 27.47 ? 48 ASN B CA 1 ATOM 3401 C C . ASN B 1 31 ? 15.407 -18.723 11.768 1.00 28.34 ? 48 ASN B C 1 ATOM 3402 O O . ASN B 1 31 ? 16.122 -19.025 12.724 1.00 29.89 ? 48 ASN B O 1 ATOM 3403 C CB . ASN B 1 31 ? 17.079 -17.483 10.406 1.00 29.92 ? 48 ASN B CB 1 ATOM 3404 C CG . ASN B 1 31 ? 17.835 -17.412 9.105 1.00 34.09 ? 48 ASN B CG 1 ATOM 3405 O OD1 . ASN B 1 31 ? 18.416 -18.408 8.671 1.00 30.54 ? 48 ASN B OD1 1 ATOM 3406 N ND2 . ASN B 1 31 ? 17.778 -16.261 8.440 1.00 37.01 ? 48 ASN B ND2 1 ATOM 3407 N N . CYS B 1 32 ? 14.098 -18.533 11.898 1.00 33.40 ? 49 CYS B N 1 ATOM 3408 C CA . CYS B 1 32 ? 13.464 -18.668 13.210 1.00 34.15 ? 49 CYS B CA 1 ATOM 3409 C C . CYS B 1 32 ? 13.312 -20.141 13.600 1.00 31.36 ? 49 CYS B C 1 ATOM 3410 O O . CYS B 1 32 ? 13.379 -21.043 12.760 1.00 32.13 ? 49 CYS B O 1 ATOM 3411 C CB . CYS B 1 32 ? 12.097 -17.963 13.241 1.00 37.83 ? 49 CYS B CB 1 ATOM 3412 S SG . CYS B 1 32 ? 10.872 -18.745 12.194 1.00 40.69 ? 49 CYS B SG 1 ATOM 3413 N N . ILE B 1 33 ? 13.146 -20.371 14.892 1.00 27.73 ? 50 ILE B N 1 ATOM 3414 C CA . ILE B 1 33 ? 12.900 -21.710 15.421 1.00 28.20 ? 50 ILE B CA 1 ATOM 3415 C C . ILE B 1 33 ? 11.487 -22.138 15.001 1.00 29.63 ? 50 ILE B C 1 ATOM 3416 O O . ILE B 1 33 ? 10.509 -21.631 15.524 1.00 32.05 ? 50 ILE B O 1 ATOM 3417 C CB . ILE B 1 33 ? 13.062 -21.731 16.956 1.00 28.22 ? 50 ILE B CB 1 ATOM 3418 C CG1 . ILE B 1 33 ? 14.486 -21.302 17.377 1.00 31.17 ? 50 ILE B CG1 1 ATOM 3419 C CG2 . ILE B 1 33 ? 12.755 -23.121 17.527 1.00 27.35 ? 50 ILE B CG2 1 ATOM 3420 C CD1 . ILE B 1 33 ? 15.606 -22.086 16.731 1.00 25.98 ? 50 ILE B CD1 1 ATOM 3421 N N . SER B 1 34 ? 11.391 -23.055 14.033 1.00 32.70 ? 51 SER B N 1 ATOM 3422 C CA . SER B 1 34 ? 10.111 -23.464 13.467 1.00 31.53 ? 51 SER B CA 1 ATOM 3423 C C . SER B 1 34 ? 10.218 -24.817 12.791 1.00 33.74 ? 51 SER B C 1 ATOM 3424 O O . SER B 1 34 ? 11.319 -25.290 12.506 1.00 33.41 ? 51 SER B O 1 ATOM 3425 C CB . SER B 1 34 ? 9.636 -22.454 12.417 1.00 37.48 ? 51 SER B CB 1 ATOM 3426 O OG . SER B 1 34 ? 10.395 -22.584 11.223 1.00 38.86 ? 51 SER B OG 1 ATOM 3427 N N . GLU B 1 35 ? 9.071 -25.425 12.509 1.00 30.64 ? 52 GLU B N 1 ATOM 3428 C CA . GLU B 1 35 ? 9.059 -26.739 11.872 1.00 34.74 ? 52 GLU B CA 1 ATOM 3429 C C . GLU B 1 35 ? 9.762 -26.678 10.513 1.00 31.22 ? 52 GLU B C 1 ATOM 3430 O O . GLU B 1 35 ? 10.489 -27.602 10.153 1.00 34.26 ? 52 GLU B O 1 ATOM 3431 C CB . GLU B 1 35 ? 7.633 -27.325 11.776 1.00 40.43 ? 52 GLU B CB 1 ATOM 3432 C CG . GLU B 1 35 ? 6.740 -26.759 10.709 1.00 47.07 ? 52 GLU B CG 1 ATOM 3433 C CD . GLU B 1 35 ? 5.458 -27.574 10.535 1.00 61.13 ? 52 GLU B CD 1 ATOM 3434 O OE1 . GLU B 1 35 ? 4.901 -28.078 11.539 1.00 37.58 ? 52 GLU B OE1 1 ATOM 3435 O OE2 . GLU B 1 35 ? 5.013 -27.707 9.378 1.00 43.23 ? 52 GLU B OE2 1 ATOM 3436 N N . GLN B 1 36 ? 9.539 -25.586 9.771 1.00 32.64 ? 53 GLN B N 1 ATOM 3437 C CA . GLN B 1 36 ? 10.194 -25.359 8.483 1.00 34.75 ? 53 GLN B CA 1 ATOM 3438 C C . GLN B 1 36 ? 11.721 -25.482 8.609 1.00 31.78 ? 53 GLN B C 1 ATOM 3439 O O . GLN B 1 36 ? 12.370 -26.159 7.811 1.00 35.75 ? 53 GLN B O 1 ATOM 3440 C CB . GLN B 1 36 ? 9.824 -23.973 7.957 1.00 39.31 ? 53 GLN B CB 1 ATOM 3441 C CG . GLN B 1 36 ? 10.373 -23.642 6.585 1.00 41.30 ? 53 GLN B CG 1 ATOM 3442 C CD . GLN B 1 36 ? 9.933 -22.264 6.112 1.00 45.94 ? 53 GLN B CD 1 ATOM 3443 O OE1 . GLN B 1 36 ? 8.757 -22.043 5.871 1.00 48.78 ? 53 GLN B OE1 1 ATOM 3444 N NE2 . GLN B 1 36 ? 10.877 -21.340 5.983 1.00 42.81 ? 53 GLN B NE2 1 ATOM 3445 N N . LEU B 1 37 ? 12.288 -24.834 9.615 1.00 29.45 ? 54 LEU B N 1 ATOM 3446 C CA . LEU B 1 37 ? 13.746 -24.917 9.851 1.00 33.59 ? 54 LEU B CA 1 ATOM 3447 C C . LEU B 1 37 ? 14.225 -26.364 10.007 1.00 31.80 ? 54 LEU B C 1 ATOM 3448 O O . LEU B 1 37 ? 15.192 -26.789 9.353 1.00 27.07 ? 54 LEU B O 1 ATOM 3449 C CB . LEU B 1 37 ? 14.150 -24.128 11.101 1.00 31.68 ? 54 LEU B CB 1 ATOM 3450 C CG . LEU B 1 37 ? 15.658 -23.916 11.279 1.00 30.24 ? 54 LEU B CG 1 ATOM 3451 C CD1 . LEU B 1 37 ? 16.211 -22.915 10.263 1.00 29.55 ? 54 LEU B CD1 1 ATOM 3452 C CD2 . LEU B 1 37 ? 15.958 -23.474 12.712 1.00 26.20 ? 54 LEU B CD2 1 ATOM 3453 N N . PHE B 1 38 ? 13.543 -27.115 10.868 1.00 30.52 ? 55 PHE B N 1 ATOM 3454 C CA . PHE B 1 38 ? 13.887 -28.514 11.096 1.00 26.86 ? 55 PHE B CA 1 ATOM 3455 C C . PHE B 1 38 ? 13.693 -29.390 9.877 1.00 31.18 ? 55 PHE B C 1 ATOM 3456 O O . PHE B 1 38 ? 14.553 -30.229 9.592 1.00 28.39 ? 55 PHE B O 1 ATOM 3457 C CB . PHE B 1 38 ? 13.176 -29.052 12.341 1.00 30.88 ? 55 PHE B CB 1 ATOM 3458 C CG . PHE B 1 38 ? 13.635 -28.367 13.590 1.00 26.81 ? 55 PHE B CG 1 ATOM 3459 C CD1 . PHE B 1 38 ? 14.858 -28.702 14.177 1.00 28.95 ? 55 PHE B CD1 1 ATOM 3460 C CD2 . PHE B 1 38 ? 12.902 -27.330 14.134 1.00 27.67 ? 55 PHE B CD2 1 ATOM 3461 C CE1 . PHE B 1 38 ? 15.319 -28.015 15.307 1.00 27.12 ? 55 PHE B CE1 1 ATOM 3462 C CE2 . PHE B 1 38 ? 13.357 -26.639 15.249 1.00 27.68 ? 55 PHE B CE2 1 ATOM 3463 C CZ . PHE B 1 38 ? 14.572 -26.981 15.833 1.00 25.59 ? 55 PHE B CZ 1 ATOM 3464 N N A MET B 1 39 ? 12.592 -29.187 9.150 0.50 37.27 ? 56 MET B N 1 ATOM 3465 N N B MET B 1 39 ? 12.591 -29.190 9.144 0.50 25.72 ? 56 MET B N 1 ATOM 3466 C CA A MET B 1 39 ? 12.335 -29.943 7.929 0.50 43.11 ? 56 MET B CA 1 ATOM 3467 C CA B MET B 1 39 ? 12.357 -29.950 7.923 0.50 25.93 ? 56 MET B CA 1 ATOM 3468 C C A MET B 1 39 ? 13.399 -29.673 6.865 0.50 38.71 ? 56 MET B C 1 ATOM 3469 C C B MET B 1 39 ? 13.431 -29.674 6.878 0.50 20.85 ? 56 MET B C 1 ATOM 3470 O O A MET B 1 39 ? 13.866 -30.603 6.204 0.50 54.72 ? 56 MET B O 1 ATOM 3471 O O B MET B 1 39 ? 13.946 -30.600 6.254 0.50 21.80 ? 56 MET B O 1 ATOM 3472 C CB A MET B 1 39 ? 10.938 -29.628 7.382 0.50 47.72 ? 56 MET B CB 1 ATOM 3473 C CB B MET B 1 39 ? 10.966 -29.649 7.362 0.50 27.59 ? 56 MET B CB 1 ATOM 3474 C CG A MET B 1 39 ? 9.807 -30.276 8.178 0.50 54.72 ? 56 MET B CG 1 ATOM 3475 C CG B MET B 1 39 ? 9.851 -30.133 8.268 0.50 32.73 ? 56 MET B CG 1 ATOM 3476 S SD A MET B 1 39 ? 8.185 -30.086 7.410 0.50 68.27 ? 56 MET B SD 1 ATOM 3477 S SD B MET B 1 39 ? 8.209 -29.718 7.666 0.50 35.40 ? 56 MET B SD 1 ATOM 3478 C CE A MET B 1 39 ? 8.049 -28.301 7.314 0.50 51.75 ? 56 MET B CE 1 ATOM 3479 C CE B MET B 1 39 ? 7.959 -31.035 6.471 0.50 37.22 ? 56 MET B CE 1 ATOM 3480 N N . GLU B 1 40 ? 13.784 -28.407 6.707 1.00 26.49 ? 57 GLU B N 1 ATOM 3481 C CA . GLU B 1 40 ? 14.816 -28.017 5.727 1.00 31.33 ? 57 GLU B CA 1 ATOM 3482 C C . GLU B 1 40 ? 16.191 -28.604 6.088 1.00 28.00 ? 57 GLU B C 1 ATOM 3483 O O . GLU B 1 40 ? 16.927 -29.071 5.214 1.00 29.92 ? 57 GLU B O 1 ATOM 3484 C CB . GLU B 1 40 ? 14.897 -26.486 5.587 1.00 31.12 ? 57 GLU B CB 1 ATOM 3485 C CG . GLU B 1 40 ? 13.678 -25.897 4.834 1.00 31.77 ? 57 GLU B CG 1 ATOM 3486 C CD . GLU B 1 40 ? 13.693 -24.377 4.693 1.00 43.96 ? 57 GLU B CD 1 ATOM 3487 O OE1 . GLU B 1 40 ? 14.709 -23.742 5.029 1.00 39.67 ? 57 GLU B OE1 1 ATOM 3488 O OE2 . GLU B 1 40 ? 12.676 -23.812 4.215 1.00 42.72 ? 57 GLU B OE2 1 ATOM 3489 N N . MET B 1 41 ? 16.528 -28.610 7.369 1.00 30.55 ? 58 MET B N 1 ATOM 3490 C CA . MET B 1 41 ? 17.781 -29.210 7.804 1.00 28.00 ? 58 MET B CA 1 ATOM 3491 C C . MET B 1 41 ? 17.778 -30.714 7.630 1.00 24.01 ? 58 MET B C 1 ATOM 3492 O O . MET B 1 41 ? 18.797 -31.289 7.219 1.00 25.21 ? 58 MET B O 1 ATOM 3493 C CB . MET B 1 41 ? 18.090 -28.856 9.257 1.00 28.65 ? 58 MET B CB 1 ATOM 3494 C CG . MET B 1 41 ? 18.344 -27.388 9.505 1.00 34.67 ? 58 MET B CG 1 ATOM 3495 S SD . MET B 1 41 ? 19.741 -26.666 8.571 1.00 26.72 ? 58 MET B SD 1 ATOM 3496 C CE . MET B 1 41 ? 19.344 -24.957 8.905 1.00 27.75 ? 58 MET B CE 1 ATOM 3497 N N . ALA B 1 42 ? 16.633 -31.345 7.912 1.00 26.71 ? 59 ALA B N 1 ATOM 3498 C CA . ALA B 1 42 ? 16.461 -32.775 7.668 1.00 24.50 ? 59 ALA B CA 1 ATOM 3499 C C . ALA B 1 42 ? 16.706 -33.094 6.207 1.00 26.78 ? 59 ALA B C 1 ATOM 3500 O O . ALA B 1 42 ? 17.446 -34.029 5.885 1.00 30.04 ? 59 ALA B O 1 ATOM 3501 C CB . ALA B 1 42 ? 15.067 -33.241 8.109 1.00 27.65 ? 59 ALA B CB 1 ATOM 3502 N N . ASP B 1 43 ? 16.096 -32.323 5.304 1.00 31.87 ? 60 ASP B N 1 ATOM 3503 C CA . ASP B 1 43 ? 16.330 -32.530 3.886 1.00 29.90 ? 60 ASP B CA 1 ATOM 3504 C C . ASP B 1 43 ? 17.799 -32.449 3.526 1.00 22.90 ? 60 ASP B C 1 ATOM 3505 O O . ASP B 1 43 ? 18.323 -33.301 2.795 1.00 30.01 ? 60 ASP B O 1 ATOM 3506 C CB . ASP B 1 43 ? 15.554 -31.519 3.039 1.00 32.94 ? 60 ASP B CB 1 ATOM 3507 C CG . ASP B 1 43 ? 14.051 -31.695 3.133 1.00 41.84 ? 60 ASP B CG 1 ATOM 3508 O OD1 . ASP B 1 43 ? 13.590 -32.769 3.587 1.00 38.85 ? 60 ASP B OD1 1 ATOM 3509 O OD2 . ASP B 1 43 ? 13.336 -30.751 2.727 1.00 42.46 ? 60 ASP B OD2 1 ATOM 3510 N N . ARG B 1 44 ? 18.494 -31.460 4.093 1.00 27.91 ? 61 ARG B N 1 ATOM 3511 C CA . ARG B 1 44 ? 19.915 -31.284 3.834 1.00 26.46 ? 61 ARG B CA 1 ATOM 3512 C C . ARG B 1 44 ? 20.707 -32.469 4.380 1.00 22.76 ? 61 ARG B C 1 ATOM 3513 O O . ARG B 1 44 ? 21.633 -32.954 3.720 1.00 27.16 ? 61 ARG B O 1 ATOM 3514 C CB . ARG B 1 44 ? 20.428 -29.961 4.410 1.00 31.24 ? 61 ARG B CB 1 ATOM 3515 C CG . ARG B 1 44 ? 19.758 -28.724 3.820 1.00 28.18 ? 61 ARG B CG 1 ATOM 3516 C CD . ARG B 1 44 ? 20.409 -28.184 2.562 1.00 26.37 ? 61 ARG B CD 1 ATOM 3517 N NE . ARG B 1 44 ? 20.608 -29.161 1.494 1.00 41.92 ? 61 ARG B NE 1 ATOM 3518 C CZ . ARG B 1 44 ? 19.661 -29.596 0.661 1.00 43.06 ? 61 ARG B CZ 1 ATOM 3519 N NH1 . ARG B 1 44 ? 18.399 -29.179 0.762 1.00 50.23 ? 61 ARG B NH1 1 ATOM 3520 N NH2 . ARG B 1 44 ? 19.979 -30.483 -0.276 1.00 34.98 ? 61 ARG B NH2 1 ATOM 3521 N N . MET B 1 45 ? 20.335 -32.950 5.565 1.00 26.88 ? 62 MET B N 1 ATOM 3522 C CA . MET B 1 45 ? 21.024 -34.083 6.159 1.00 25.61 ? 62 MET B CA 1 ATOM 3523 C C . MET B 1 45 ? 20.848 -35.343 5.312 1.00 25.22 ? 62 MET B C 1 ATOM 3524 O O . MET B 1 45 ? 21.815 -36.086 5.108 1.00 24.95 ? 62 MET B O 1 ATOM 3525 C CB . MET B 1 45 ? 20.589 -34.291 7.619 1.00 23.40 ? 62 MET B CB 1 ATOM 3526 C CG . MET B 1 45 ? 20.955 -33.146 8.526 1.00 25.63 ? 62 MET B CG 1 ATOM 3527 S SD . MET B 1 45 ? 20.515 -33.418 10.247 1.00 25.06 ? 62 MET B SD 1 ATOM 3528 C CE . MET B 1 45 ? 21.777 -34.595 10.773 1.00 25.09 ? 62 MET B CE 1 ATOM 3529 N N . ALA B 1 46 ? 19.652 -35.533 4.737 1.00 26.38 ? 63 ALA B N 1 ATOM 3530 C CA . ALA B 1 46 ? 19.349 -36.706 3.903 1.00 32.79 ? 63 ALA B CA 1 ATOM 3531 C C . ALA B 1 46 ? 20.009 -36.641 2.529 1.00 28.94 ? 63 ALA B C 1 ATOM 3532 O O . ALA B 1 46 ? 20.432 -37.670 1.987 1.00 38.92 ? 63 ALA B O 1 ATOM 3533 C CB . ALA B 1 46 ? 17.830 -36.874 3.740 1.00 33.08 ? 63 ALA B CB 1 ATOM 3534 N N . GLN B 1 47 ? 20.079 -35.441 1.960 1.00 25.89 ? 64 GLN B N 1 ATOM 3535 C CA . GLN B 1 47 ? 20.506 -35.257 0.565 1.00 32.58 ? 64 GLN B CA 1 ATOM 3536 C C . GLN B 1 47 ? 21.973 -34.935 0.371 1.00 33.03 ? 64 GLN B C 1 ATOM 3537 O O . GLN B 1 47 ? 22.543 -35.237 -0.670 1.00 32.15 ? 64 GLN B O 1 ATOM 3538 C CB . GLN B 1 47 ? 19.703 -34.135 -0.085 1.00 35.46 ? 64 GLN B CB 1 ATOM 3539 C CG . GLN B 1 47 ? 18.247 -34.440 -0.289 1.00 45.62 ? 64 GLN B CG 1 ATOM 3540 C CD . GLN B 1 47 ? 17.499 -33.263 -0.875 1.00 46.11 ? 64 GLN B CD 1 ATOM 3541 O OE1 . GLN B 1 47 ? 18.103 -32.509 -1.672 1.00 45.32 ? 64 GLN B OE1 1 ATOM 3542 N NE2 . GLN B 1 47 ? 16.311 -33.095 -0.532 1.00 54.53 ? 64 GLN B NE2 1 ATOM 3543 N N . ASP B 1 48 ? 22.595 -34.308 1.363 1.00 27.07 ? 65 ASP B N 1 ATOM 3544 C CA . ASP B 1 48 ? 23.924 -33.735 1.161 1.00 30.33 ? 65 ASP B CA 1 ATOM 3545 C C . ASP B 1 48 ? 25.038 -34.546 1.825 1.00 28.99 ? 65 ASP B C 1 ATOM 3546 O O . ASP B 1 48 ? 26.135 -34.023 2.028 1.00 28.39 ? 65 ASP B O 1 ATOM 3547 C CB . ASP B 1 48 ? 23.953 -32.304 1.703 1.00 29.01 ? 65 ASP B CB 1 ATOM 3548 C CG . ASP B 1 48 ? 23.076 -31.354 0.926 1.00 43.69 ? 65 ASP B CG 1 ATOM 3549 O OD1 . ASP B 1 48 ? 22.419 -31.769 -0.058 1.00 35.99 ? 65 ASP B OD1 1 ATOM 3550 O OD2 . ASP B 1 48 ? 23.041 -30.166 1.309 1.00 30.15 ? 65 ASP B OD2 1 ATOM 3551 N N . GLY B 1 49 ? 24.758 -35.801 2.158 1.00 28.21 ? 66 GLY B N 1 ATOM 3552 C CA . GLY B 1 49 ? 25.786 -36.735 2.611 1.00 28.92 ? 66 GLY B CA 1 ATOM 3553 C C . GLY B 1 49 ? 25.879 -36.879 4.107 1.00 30.93 ? 66 GLY B C 1 ATOM 3554 O O . GLY B 1 49 ? 26.562 -37.775 4.605 1.00 28.15 ? 66 GLY B O 1 ATOM 3555 N N . TRP B 1 50 ? 25.193 -36.011 4.841 1.00 24.82 ? 67 TRP B N 1 ATOM 3556 C CA . TRP B 1 50 ? 25.361 -35.970 6.304 1.00 23.37 ? 67 TRP B CA 1 ATOM 3557 C C . TRP B 1 50 ? 24.914 -37.272 6.950 1.00 22.67 ? 67 TRP B C 1 ATOM 3558 O O . TRP B 1 50 ? 25.649 -37.874 7.753 1.00 23.77 ? 67 TRP B O 1 ATOM 3559 C CB . TRP B 1 50 ? 24.566 -34.802 6.890 1.00 20.28 ? 67 TRP B CB 1 ATOM 3560 C CG . TRP B 1 50 ? 25.016 -33.484 6.344 1.00 19.17 ? 67 TRP B CG 1 ATOM 3561 C CD1 . TRP B 1 50 ? 24.380 -32.688 5.424 1.00 23.15 ? 67 TRP B CD1 1 ATOM 3562 C CD2 . TRP B 1 50 ? 26.223 -32.805 6.685 1.00 19.96 ? 67 TRP B CD2 1 ATOM 3563 N NE1 . TRP B 1 50 ? 25.125 -31.575 5.168 1.00 20.31 ? 67 TRP B NE1 1 ATOM 3564 C CE2 . TRP B 1 50 ? 26.261 -31.613 5.934 1.00 19.37 ? 67 TRP B CE2 1 ATOM 3565 C CE3 . TRP B 1 50 ? 27.283 -33.100 7.547 1.00 21.77 ? 67 TRP B CE3 1 ATOM 3566 C CZ2 . TRP B 1 50 ? 27.317 -30.714 6.021 1.00 21.54 ? 67 TRP B CZ2 1 ATOM 3567 C CZ3 . TRP B 1 50 ? 28.322 -32.202 7.643 1.00 21.70 ? 67 TRP B CZ3 1 ATOM 3568 C CH2 . TRP B 1 50 ? 28.335 -31.027 6.876 1.00 20.36 ? 67 TRP B CH2 1 ATOM 3569 N N . ARG B 1 51 ? 23.697 -37.701 6.615 1.00 24.28 ? 68 ARG B N 1 ATOM 3570 C CA . ARG B 1 51 ? 23.157 -38.944 7.163 1.00 25.32 ? 68 ARG B CA 1 ATOM 3571 C C . ARG B 1 51 ? 24.052 -40.116 6.781 1.00 27.93 ? 68 ARG B C 1 ATOM 3572 O O . ARG B 1 51 ? 24.404 -40.938 7.618 1.00 28.96 ? 68 ARG B O 1 ATOM 3573 C CB . ARG B 1 51 ? 21.741 -39.175 6.634 1.00 29.16 ? 68 ARG B CB 1 ATOM 3574 C CG . ARG B 1 51 ? 21.116 -40.478 7.087 1.00 26.24 ? 68 ARG B CG 1 ATOM 3575 C CD . ARG B 1 51 ? 19.915 -40.840 6.225 1.00 28.43 ? 68 ARG B CD 1 ATOM 3576 N NE . ARG B 1 51 ? 20.319 -41.114 4.849 1.00 36.00 ? 68 ARG B NE 1 ATOM 3577 C CZ . ARG B 1 51 ? 19.578 -40.859 3.772 1.00 33.61 ? 68 ARG B CZ 1 ATOM 3578 N NH1 . ARG B 1 51 ? 18.348 -40.346 3.882 1.00 45.67 ? 68 ARG B NH1 1 ATOM 3579 N NH2 . ARG B 1 51 ? 20.063 -41.140 2.567 1.00 50.64 ? 68 ARG B NH2 1 ATOM 3580 N N . ASP B 1 52 ? 24.432 -40.174 5.513 1.00 27.84 ? 69 ASP B N 1 ATOM 3581 C CA . ASP B 1 52 ? 25.240 -41.278 5.015 1.00 33.49 ? 69 ASP B CA 1 ATOM 3582 C C . ASP B 1 52 ? 26.617 -41.360 5.716 1.00 27.60 ? 69 ASP B C 1 ATOM 3583 O O . ASP B 1 52 ? 27.184 -42.450 5.828 1.00 30.42 ? 69 ASP B O 1 ATOM 3584 C CB . ASP B 1 52 ? 25.375 -41.194 3.486 1.00 37.16 ? 69 ASP B CB 1 ATOM 3585 C CG . ASP B 1 52 ? 24.026 -41.380 2.744 1.00 43.96 ? 69 ASP B CG 1 ATOM 3586 O OD1 . ASP B 1 52 ? 23.038 -41.882 3.328 1.00 39.55 ? 69 ASP B OD1 1 ATOM 3587 O OD2 . ASP B 1 52 ? 23.963 -41.025 1.546 1.00 45.25 ? 69 ASP B OD2 1 ATOM 3588 N N . MET B 1 53 ? 27.120 -40.231 6.224 1.00 27.80 ? 70 MET B N 1 ATOM 3589 C CA . MET B 1 53 ? 28.402 -40.200 6.933 1.00 25.35 ? 70 MET B CA 1 ATOM 3590 C C . MET B 1 53 ? 28.246 -40.436 8.444 1.00 23.28 ? 70 MET B C 1 ATOM 3591 O O . MET B 1 53 ? 29.244 -40.564 9.153 1.00 27.27 ? 70 MET B O 1 ATOM 3592 C CB . MET B 1 53 ? 29.141 -38.882 6.670 1.00 30.86 ? 70 MET B CB 1 ATOM 3593 C CG . MET B 1 53 ? 29.527 -38.691 5.191 1.00 26.14 ? 70 MET B CG 1 ATOM 3594 S SD . MET B 1 53 ? 30.576 -40.020 4.547 1.00 35.61 ? 70 MET B SD 1 ATOM 3595 C CE . MET B 1 53 ? 31.938 -39.990 5.685 1.00 30.06 ? 70 MET B CE 1 ATOM 3596 N N . GLY B 1 54 ? 27.007 -40.528 8.924 1.00 23.16 ? 71 GLY B N 1 ATOM 3597 C CA . GLY B 1 54 ? 26.748 -40.889 10.318 1.00 26.26 ? 71 GLY B CA 1 ATOM 3598 C C . GLY B 1 54 ? 26.000 -39.851 11.125 1.00 28.76 ? 71 GLY B C 1 ATOM 3599 O O . GLY B 1 54 ? 25.634 -40.111 12.272 1.00 25.08 ? 71 GLY B O 1 ATOM 3600 N N . TYR B 1 55 ? 25.780 -38.670 10.544 1.00 24.04 ? 72 TYR B N 1 ATOM 3601 C CA . TYR B 1 55 ? 25.065 -37.612 11.244 1.00 17.62 ? 72 TYR B CA 1 ATOM 3602 C C . TYR B 1 55 ? 23.571 -37.912 11.191 1.00 23.39 ? 72 TYR B C 1 ATOM 3603 O O . TYR B 1 55 ? 22.926 -37.617 10.196 1.00 24.98 ? 72 TYR B O 1 ATOM 3604 C CB . TYR B 1 55 ? 25.348 -36.231 10.646 1.00 20.31 ? 72 TYR B CB 1 ATOM 3605 C CG . TYR B 1 55 ? 26.772 -35.753 10.816 1.00 19.26 ? 72 TYR B CG 1 ATOM 3606 C CD1 . TYR B 1 55 ? 27.140 -35.043 11.951 1.00 21.12 ? 72 TYR B CD1 1 ATOM 3607 C CD2 . TYR B 1 55 ? 27.744 -36.003 9.849 1.00 18.47 ? 72 TYR B CD2 1 ATOM 3608 C CE1 . TYR B 1 55 ? 28.444 -34.595 12.136 1.00 18.21 ? 72 TYR B CE1 1 ATOM 3609 C CE2 . TYR B 1 55 ? 29.059 -35.555 10.023 1.00 18.19 ? 72 TYR B CE2 1 ATOM 3610 C CZ . TYR B 1 55 ? 29.394 -34.856 11.177 1.00 19.90 ? 72 TYR B CZ 1 ATOM 3611 O OH . TYR B 1 55 ? 30.689 -34.417 11.357 1.00 17.94 ? 72 TYR B OH 1 ATOM 3612 N N . THR B 1 56 ? 23.036 -38.478 12.272 1.00 21.76 ? 73 THR B N 1 ATOM 3613 C CA . THR B 1 56 ? 21.664 -39.010 12.265 1.00 23.60 ? 73 THR B CA 1 ATOM 3614 C C . THR B 1 56 ? 20.684 -38.243 13.152 1.00 21.82 ? 73 THR B C 1 ATOM 3615 O O . THR B 1 56 ? 19.478 -38.347 12.949 1.00 29.66 ? 73 THR B O 1 ATOM 3616 C CB . THR B 1 56 ? 21.661 -40.483 12.675 1.00 24.62 ? 73 THR B CB 1 ATOM 3617 O OG1 . THR B 1 56 ? 22.315 -40.618 13.949 1.00 24.69 ? 73 THR B OG1 1 ATOM 3618 C CG2 . THR B 1 56 ? 22.404 -41.317 11.643 1.00 26.56 ? 73 THR B CG2 1 ATOM 3619 N N . TYR B 1 57 ? 21.178 -37.480 14.133 1.00 21.92 ? 74 TYR B N 1 ATOM 3620 C CA . TYR B 1 57 ? 20.278 -36.764 15.041 1.00 19.03 ? 74 TYR B CA 1 ATOM 3621 C C . TYR B 1 57 ? 20.014 -35.349 14.556 1.00 20.86 ? 74 TYR B C 1 ATOM 3622 O O . TYR B 1 57 ? 20.924 -34.630 14.138 1.00 22.97 ? 74 TYR B O 1 ATOM 3623 C CB . TYR B 1 57 ? 20.819 -36.727 16.480 1.00 21.84 ? 74 TYR B CB 1 ATOM 3624 C CG . TYR B 1 57 ? 20.722 -38.050 17.191 1.00 19.80 ? 74 TYR B CG 1 ATOM 3625 C CD1 . TYR B 1 57 ? 19.576 -38.399 17.903 1.00 23.74 ? 74 TYR B CD1 1 ATOM 3626 C CD2 . TYR B 1 57 ? 21.754 -38.976 17.114 1.00 21.89 ? 74 TYR B CD2 1 ATOM 3627 C CE1 . TYR B 1 57 ? 19.483 -39.619 18.547 1.00 21.25 ? 74 TYR B CE1 1 ATOM 3628 C CE2 . TYR B 1 57 ? 21.663 -40.198 17.746 1.00 20.47 ? 74 TYR B CE2 1 ATOM 3629 C CZ . TYR B 1 57 ? 20.538 -40.514 18.470 1.00 20.59 ? 74 TYR B CZ 1 ATOM 3630 O OH . TYR B 1 57 ? 20.436 -41.750 19.092 1.00 23.02 ? 74 TYR B OH 1 ATOM 3631 N N . LEU B 1 58 ? 18.756 -34.954 14.635 1.00 21.31 ? 75 LEU B N 1 ATOM 3632 C CA . LEU B 1 58 ? 18.329 -33.589 14.348 1.00 20.57 ? 75 LEU B CA 1 ATOM 3633 C C . LEU B 1 58 ? 17.604 -33.126 15.590 1.00 22.62 ? 75 LEU B C 1 ATOM 3634 O O . LEU B 1 58 ? 16.507 -33.627 15.891 1.00 24.05 ? 75 LEU B O 1 ATOM 3635 C CB . LEU B 1 58 ? 17.397 -33.557 13.145 1.00 23.13 ? 75 LEU B CB 1 ATOM 3636 C CG . LEU B 1 58 ? 16.789 -32.177 12.828 1.00 27.94 ? 75 LEU B CG 1 ATOM 3637 C CD1 . LEU B 1 58 ? 17.791 -31.305 12.103 1.00 29.77 ? 75 LEU B CD1 1 ATOM 3638 C CD2 . LEU B 1 58 ? 15.512 -32.353 12.031 1.00 31.93 ? 75 LEU B CD2 1 ATOM 3639 N N . ASN B 1 59 ? 18.218 -32.205 16.334 1.00 22.70 ? 76 ASN B N 1 ATOM 3640 C CA . ASN B 1 59 ? 17.768 -31.893 17.689 1.00 19.02 ? 76 ASN B CA 1 ATOM 3641 C C . ASN B 1 59 ? 17.247 -30.487 17.874 1.00 23.45 ? 76 ASN B C 1 ATOM 3642 O O . ASN B 1 59 ? 17.936 -29.498 17.591 1.00 25.19 ? 76 ASN B O 1 ATOM 3643 C CB . ASN B 1 59 ? 18.846 -32.173 18.749 1.00 20.74 ? 76 ASN B CB 1 ATOM 3644 C CG . ASN B 1 59 ? 19.272 -33.623 18.790 1.00 20.84 ? 76 ASN B CG 1 ATOM 3645 O OD1 . ASN B 1 59 ? 18.703 -34.474 18.113 1.00 23.52 ? 76 ASN B OD1 1 ATOM 3646 N ND2 . ASN B 1 59 ? 20.303 -33.910 19.584 1.00 19.68 ? 76 ASN B ND2 1 ATOM 3647 N N . ILE B 1 60 ? 16.004 -30.431 18.345 1.00 22.81 ? 77 ILE B N 1 ATOM 3648 C CA . ILE B 1 60 ? 15.366 -29.221 18.794 1.00 20.36 ? 77 ILE B CA 1 ATOM 3649 C C . ILE B 1 60 ? 15.945 -28.833 20.135 1.00 24.46 ? 77 ILE B C 1 ATOM 3650 O O . ILE B 1 60 ? 16.211 -29.692 20.978 1.00 23.17 ? 77 ILE B O 1 ATOM 3651 C CB . ILE B 1 60 ? 13.818 -29.424 18.944 1.00 22.86 ? 77 ILE B CB 1 ATOM 3652 C CG1 . ILE B 1 60 ? 13.197 -29.902 17.635 1.00 26.60 ? 77 ILE B CG1 1 ATOM 3653 C CG2 . ILE B 1 60 ? 13.163 -28.152 19.417 1.00 24.29 ? 77 ILE B CG2 1 ATOM 3654 C CD1 . ILE B 1 60 ? 11.825 -30.569 17.820 1.00 27.65 ? 77 ILE B CD1 1 ATOM 3655 N N . ASP B 1 61 ? 16.181 -27.538 20.325 1.00 25.11 ? 78 ASP B N 1 ATOM 3656 C CA . ASP B 1 61 ? 16.668 -27.025 21.596 1.00 21.17 ? 78 ASP B CA 1 ATOM 3657 C C . ASP B 1 61 ? 15.587 -26.127 22.202 1.00 26.38 ? 78 ASP B C 1 ATOM 3658 O O . ASP B 1 61 ? 14.395 -26.353 21.984 1.00 26.84 ? 78 ASP B O 1 ATOM 3659 C CB . ASP B 1 61 ? 18.044 -26.339 21.437 1.00 23.10 ? 78 ASP B CB 1 ATOM 3660 C CG . ASP B 1 61 ? 18.877 -26.355 22.723 1.00 22.46 ? 78 ASP B CG 1 ATOM 3661 O OD1 . ASP B 1 61 ? 18.780 -25.392 23.505 1.00 20.45 ? 78 ASP B OD1 1 ATOM 3662 O OD2 . ASP B 1 61 ? 19.625 -27.333 22.970 1.00 21.32 ? 78 ASP B OD2 1 ATOM 3663 N N . ASP B 1 62 ? 15.977 -25.129 22.983 1.00 21.02 ? 79 ASP B N 1 ATOM 3664 C CA . ASP B 1 62 ? 15.026 -24.298 23.702 1.00 24.96 ? 79 ASP B CA 1 ATOM 3665 C C . ASP B 1 62 ? 14.158 -23.463 22.744 1.00 25.89 ? 79 ASP B C 1 ATOM 3666 O O . ASP B 1 62 ? 14.466 -23.327 21.562 1.00 27.16 ? 79 ASP B O 1 ATOM 3667 C CB . ASP B 1 62 ? 15.809 -23.399 24.652 1.00 23.03 ? 79 ASP B CB 1 ATOM 3668 C CG . ASP B 1 62 ? 14.997 -22.850 25.798 1.00 28.55 ? 79 ASP B CG 1 ATOM 3669 O OD1 . ASP B 1 62 ? 13.751 -23.016 25.850 1.00 26.92 ? 79 ASP B OD1 1 ATOM 3670 O OD2 . ASP B 1 62 ? 15.651 -22.235 26.669 1.00 24.37 ? 79 ASP B OD2 1 ATOM 3671 N N . CYS B 1 63 ? 13.039 -22.977 23.276 1.00 28.52 ? 80 CYS B N 1 ATOM 3672 C CA . CYS B 1 63 ? 12.112 -22.052 22.608 1.00 28.02 ? 80 CYS B CA 1 ATOM 3673 C C . CYS B 1 63 ? 11.137 -22.696 21.604 1.00 37.89 ? 80 CYS B C 1 ATOM 3674 O O . CYS B 1 63 ? 10.618 -22.002 20.728 1.00 32.78 ? 80 CYS B O 1 ATOM 3675 C CB . CYS B 1 63 ? 12.867 -20.861 21.976 1.00 35.46 ? 80 CYS B CB 1 ATOM 3676 S SG . CYS B 1 63 ? 14.131 -20.170 23.099 1.00 31.10 ? 80 CYS B SG 1 ATOM 3677 N N . TRP B 1 64 ? 10.848 -23.992 21.752 1.00 29.52 ? 81 TRP B N 1 ATOM 3678 C CA . TRP B 1 64 ? 9.910 -24.669 20.849 1.00 29.45 ? 81 TRP B CA 1 ATOM 3679 C C . TRP B 1 64 ? 8.485 -24.716 21.413 1.00 30.56 ? 81 TRP B C 1 ATOM 3680 O O . TRP B 1 64 ? 7.526 -24.966 20.678 1.00 32.05 ? 81 TRP B O 1 ATOM 3681 C CB . TRP B 1 64 ? 10.380 -26.094 20.520 1.00 28.00 ? 81 TRP B CB 1 ATOM 3682 C CG . TRP B 1 64 ? 10.425 -27.053 21.687 1.00 27.62 ? 81 TRP B CG 1 ATOM 3683 C CD1 . TRP B 1 64 ? 11.487 -27.299 22.509 1.00 29.04 ? 81 TRP B CD1 1 ATOM 3684 C CD2 . TRP B 1 64 ? 9.365 -27.913 22.140 1.00 28.58 ? 81 TRP B CD2 1 ATOM 3685 N NE1 . TRP B 1 64 ? 11.154 -28.239 23.451 1.00 27.70 ? 81 TRP B NE1 1 ATOM 3686 C CE2 . TRP B 1 64 ? 9.862 -28.638 23.242 1.00 25.30 ? 81 TRP B CE2 1 ATOM 3687 C CE3 . TRP B 1 64 ? 8.050 -28.142 21.718 1.00 34.84 ? 81 TRP B CE3 1 ATOM 3688 C CZ2 . TRP B 1 64 ? 9.085 -29.566 23.941 1.00 31.46 ? 81 TRP B CZ2 1 ATOM 3689 C CZ3 . TRP B 1 64 ? 7.271 -29.078 22.418 1.00 32.27 ? 81 TRP B CZ3 1 ATOM 3690 C CH2 . TRP B 1 64 ? 7.794 -29.767 23.514 1.00 31.42 ? 81 TRP B CH2 1 ATOM 3691 N N . ILE B 1 65 ? 8.371 -24.469 22.715 1.00 32.97 ? 82 ILE B N 1 ATOM 3692 C CA . ILE B 1 65 ? 7.168 -24.800 23.472 1.00 35.51 ? 82 ILE B CA 1 ATOM 3693 C C . ILE B 1 65 ? 6.163 -23.674 23.375 1.00 37.57 ? 82 ILE B C 1 ATOM 3694 O O . ILE B 1 65 ? 6.521 -22.510 23.521 1.00 35.10 ? 82 ILE B O 1 ATOM 3695 C CB . ILE B 1 65 ? 7.490 -25.054 24.964 1.00 29.37 ? 82 ILE B CB 1 ATOM 3696 C CG1 . ILE B 1 65 ? 8.545 -26.157 25.103 1.00 34.82 ? 82 ILE B CG1 1 ATOM 3697 C CG2 . ILE B 1 65 ? 6.207 -25.438 25.733 1.00 33.39 ? 82 ILE B CG2 1 ATOM 3698 C CD1 . ILE B 1 65 ? 9.093 -26.328 26.504 1.00 32.53 ? 82 ILE B CD1 1 ATOM 3699 N N . GLY B 1 66 ? 4.907 -24.036 23.121 1.00 37.78 ? 83 GLY B N 1 ATOM 3700 C CA . GLY B 1 66 ? 3.800 -23.080 23.114 1.00 37.54 ? 83 GLY B CA 1 ATOM 3701 C C . GLY B 1 66 ? 3.199 -22.908 24.492 1.00 40.65 ? 83 GLY B C 1 ATOM 3702 O O . GLY B 1 66 ? 2.880 -21.799 24.915 1.00 47.84 ? 83 GLY B O 1 ATOM 3703 N N . GLY B 1 67 ? 3.019 -24.022 25.187 1.00 41.14 ? 84 GLY B N 1 ATOM 3704 C CA . GLY B 1 67 ? 2.389 -24.020 26.498 1.00 44.03 ? 84 GLY B CA 1 ATOM 3705 C C . GLY B 1 67 ? 2.048 -25.437 26.908 1.00 39.80 ? 84 GLY B C 1 ATOM 3706 O O . GLY B 1 67 ? 2.504 -26.404 26.290 1.00 42.17 ? 84 GLY B O 1 ATOM 3707 N N . ARG B 1 68 ? 1.250 -25.556 27.966 1.00 38.84 ? 85 ARG B N 1 ATOM 3708 C CA . ARG B 1 68 ? 0.699 -26.831 28.382 1.00 41.43 ? 85 ARG B CA 1 ATOM 3709 C C . ARG B 1 68 ? -0.806 -26.765 28.176 1.00 46.41 ? 85 ARG B C 1 ATOM 3710 O O . ARG B 1 68 ? -1.423 -25.731 28.438 1.00 46.39 ? 85 ARG B O 1 ATOM 3711 C CB . ARG B 1 68 ? 1.038 -27.116 29.845 1.00 41.42 ? 85 ARG B CB 1 ATOM 3712 C CG . ARG B 1 68 ? 2.501 -27.473 30.079 1.00 40.85 ? 85 ARG B CG 1 ATOM 3713 C CD . ARG B 1 68 ? 2.758 -27.866 31.528 1.00 39.39 ? 85 ARG B CD 1 ATOM 3714 N NE . ARG B 1 68 ? 4.173 -28.134 31.775 1.00 36.94 ? 85 ARG B NE 1 ATOM 3715 C CZ . ARG B 1 68 ? 4.801 -29.274 31.491 1.00 38.50 ? 85 ARG B CZ 1 ATOM 3716 N NH1 . ARG B 1 68 ? 4.152 -30.296 30.934 1.00 40.00 ? 85 ARG B NH1 1 ATOM 3717 N NH2 . ARG B 1 68 ? 6.101 -29.381 31.747 1.00 36.97 ? 85 ARG B NH2 1 ATOM 3718 N N . ASP B 1 69 ? -1.390 -27.853 27.678 1.00 43.29 ? 86 ASP B N 1 ATOM 3719 C CA . ASP B 1 69 ? -2.822 -27.908 27.432 1.00 51.11 ? 86 ASP B CA 1 ATOM 3720 C C . ASP B 1 69 ? -3.594 -28.053 28.753 1.00 49.97 ? 86 ASP B C 1 ATOM 3721 O O . ASP B 1 69 ? -3.000 -28.039 29.836 1.00 41.25 ? 86 ASP B O 1 ATOM 3722 C CB . ASP B 1 69 ? -3.165 -29.015 26.406 1.00 51.97 ? 86 ASP B CB 1 ATOM 3723 C CG . ASP B 1 69 ? -3.034 -30.432 26.961 1.00 53.77 ? 86 ASP B CG 1 ATOM 3724 O OD1 . ASP B 1 69 ? -2.756 -30.618 28.165 1.00 48.15 ? 86 ASP B OD1 1 ATOM 3725 O OD2 . ASP B 1 69 ? -3.223 -31.376 26.165 1.00 53.06 ? 86 ASP B OD2 1 ATOM 3726 N N . ALA B 1 70 ? -4.915 -28.192 28.664 1.00 52.45 ? 87 ALA B N 1 ATOM 3727 C CA . ALA B 1 70 ? -5.763 -28.259 29.852 1.00 50.72 ? 87 ALA B CA 1 ATOM 3728 C C . ALA B 1 70 ? -5.476 -29.471 30.744 1.00 52.37 ? 87 ALA B C 1 ATOM 3729 O O . ALA B 1 70 ? -5.901 -29.500 31.906 1.00 48.24 ? 87 ALA B O 1 ATOM 3730 C CB . ALA B 1 70 ? -7.231 -28.249 29.443 1.00 55.63 ? 87 ALA B CB 1 ATOM 3731 N N . SER B 1 71 ? -4.786 -30.469 30.186 1.00 46.04 ? 88 SER B N 1 ATOM 3732 C CA . SER B 1 71 ? -4.397 -31.680 30.913 1.00 44.97 ? 88 SER B CA 1 ATOM 3733 C C . SER B 1 71 ? -2.925 -31.676 31.336 1.00 46.43 ? 88 SER B C 1 ATOM 3734 O O . SER B 1 71 ? -2.441 -32.673 31.881 1.00 45.50 ? 88 SER B O 1 ATOM 3735 C CB . SER B 1 71 ? -4.665 -32.916 30.049 1.00 52.07 ? 88 SER B CB 1 ATOM 3736 O OG . SER B 1 71 ? -6.043 -33.026 29.734 1.00 57.69 ? 88 SER B OG 1 ATOM 3737 N N . GLY B 1 72 ? -2.224 -30.563 31.088 1.00 44.78 ? 89 GLY B N 1 ATOM 3738 C CA . GLY B 1 72 ? -0.812 -30.427 31.456 1.00 46.51 ? 89 GLY B CA 1 ATOM 3739 C C . GLY B 1 72 ? 0.181 -30.920 30.419 1.00 38.57 ? 89 GLY B C 1 ATOM 3740 O O . GLY B 1 72 ? 1.381 -30.924 30.674 1.00 41.64 ? 89 GLY B O 1 ATOM 3741 N N . ARG B 1 73 ? -0.307 -31.343 29.255 1.00 45.42 ? 90 ARG B N 1 ATOM 3742 C CA . ARG B 1 73 ? 0.546 -31.934 28.219 1.00 38.87 ? 90 ARG B CA 1 ATOM 3743 C C . ARG B 1 73 ? 1.210 -30.818 27.409 1.00 40.32 ? 90 ARG B C 1 ATOM 3744 O O . ARG B 1 73 ? 0.543 -29.884 26.941 1.00 38.61 ? 90 ARG B O 1 ATOM 3745 C CB . ARG B 1 73 ? -0.283 -32.833 27.298 1.00 47.30 ? 90 ARG B CB 1 ATOM 3746 C CG . ARG B 1 73 ? 0.466 -33.584 26.192 1.00 49.36 ? 90 ARG B CG 1 ATOM 3747 C CD . ARG B 1 73 ? -0.564 -34.264 25.273 1.00 62.43 ? 90 ARG B CD 1 ATOM 3748 N NE . ARG B 1 73 ? 0.004 -35.170 24.270 1.00 52.72 ? 90 ARG B NE 1 ATOM 3749 C CZ . ARG B 1 73 ? 0.484 -36.388 24.523 1.00 55.30 ? 90 ARG B CZ 1 ATOM 3750 N NH1 . ARG B 1 73 ? 0.509 -36.868 25.763 1.00 49.75 ? 90 ARG B NH1 1 ATOM 3751 N NH2 . ARG B 1 73 ? 0.960 -37.132 23.528 1.00 50.72 ? 90 ARG B NH2 1 ATOM 3752 N N . LEU B 1 74 ? 2.526 -30.913 27.243 1.00 38.47 ? 91 LEU B N 1 ATOM 3753 C CA . LEU B 1 74 ? 3.261 -29.941 26.439 1.00 33.13 ? 91 LEU B CA 1 ATOM 3754 C C . LEU B 1 74 ? 2.709 -29.855 25.031 1.00 37.88 ? 91 LEU B C 1 ATOM 3755 O O . LEU B 1 74 ? 2.314 -30.871 24.440 1.00 37.36 ? 91 LEU B O 1 ATOM 3756 C CB . LEU B 1 74 ? 4.743 -30.330 26.358 1.00 35.05 ? 91 LEU B CB 1 ATOM 3757 C CG . LEU B 1 74 ? 5.571 -30.132 27.626 1.00 32.84 ? 91 LEU B CG 1 ATOM 3758 C CD1 . LEU B 1 74 ? 6.916 -30.898 27.517 1.00 33.70 ? 91 LEU B CD1 1 ATOM 3759 C CD2 . LEU B 1 74 ? 5.802 -28.660 27.876 1.00 34.11 ? 91 LEU B CD2 1 ATOM 3760 N N . MET B 1 75 ? 2.679 -28.627 24.514 1.00 36.64 ? 92 MET B N 1 ATOM 3761 C CA . MET B 1 75 ? 2.323 -28.332 23.132 1.00 39.55 ? 92 MET B CA 1 ATOM 3762 C C . MET B 1 75 ? 3.447 -27.476 22.544 1.00 37.38 ? 92 MET B C 1 ATOM 3763 O O . MET B 1 75 ? 3.950 -26.578 23.223 1.00 32.99 ? 92 MET B O 1 ATOM 3764 C CB . MET B 1 75 ? 1.032 -27.505 23.059 1.00 45.05 ? 92 MET B CB 1 ATOM 3765 C CG . MET B 1 75 ? -0.156 -28.078 23.818 1.00 50.25 ? 92 MET B CG 1 ATOM 3766 S SD . MET B 1 75 ? -1.563 -26.935 23.772 1.00 50.14 ? 92 MET B SD 1 ATOM 3767 C CE . MET B 1 75 ? -0.961 -25.586 24.796 1.00 43.72 ? 92 MET B CE 1 ATOM 3768 N N . PRO B 1 76 ? 3.815 -27.723 21.274 1.00 37.35 ? 93 PRO B N 1 ATOM 3769 C CA . PRO B 1 76 ? 4.737 -26.800 20.619 1.00 34.27 ? 93 PRO B CA 1 ATOM 3770 C C . PRO B 1 76 ? 3.997 -25.525 20.229 1.00 39.32 ? 93 PRO B C 1 ATOM 3771 O O . PRO B 1 76 ? 2.762 -25.512 20.202 1.00 39.57 ? 93 PRO B O 1 ATOM 3772 C CB . PRO B 1 76 ? 5.165 -27.571 19.369 1.00 33.52 ? 93 PRO B CB 1 ATOM 3773 C CG . PRO B 1 76 ? 3.948 -28.378 19.026 1.00 39.91 ? 93 PRO B CG 1 ATOM 3774 C CD . PRO B 1 76 ? 3.377 -28.794 20.359 1.00 39.36 ? 93 PRO B CD 1 ATOM 3775 N N . ASP B 1 77 ? 4.739 -24.460 19.956 1.00 36.61 ? 94 ASP B N 1 ATOM 3776 C CA . ASP B 1 77 ? 4.125 -23.206 19.503 1.00 34.91 ? 94 ASP B CA 1 ATOM 3777 C C . ASP B 1 77 ? 3.332 -23.480 18.226 1.00 41.57 ? 94 ASP B C 1 ATOM 3778 O O . ASP B 1 77 ? 3.899 -23.883 17.207 1.00 43.44 ? 94 ASP B O 1 ATOM 3779 C CB . ASP B 1 77 ? 5.200 -22.149 19.275 1.00 39.17 ? 94 ASP B CB 1 ATOM 3780 C CG . ASP B 1 77 ? 4.617 -20.779 19.002 1.00 45.30 ? 94 ASP B CG 1 ATOM 3781 O OD1 . ASP B 1 77 ? 3.824 -20.665 18.056 1.00 53.01 ? 94 ASP B OD1 1 ATOM 3782 O OD2 . ASP B 1 77 ? 4.966 -19.825 19.725 1.00 46.59 ? 94 ASP B OD2 1 ATOM 3783 N N . PRO B 1 78 ? 2.007 -23.259 18.272 1.00 43.55 ? 95 PRO B N 1 ATOM 3784 C CA . PRO B 1 78 ? 1.157 -23.647 17.143 1.00 47.86 ? 95 PRO B CA 1 ATOM 3785 C C . PRO B 1 78 ? 1.408 -22.833 15.873 1.00 45.97 ? 95 PRO B C 1 ATOM 3786 O O . PRO B 1 78 ? 1.147 -23.317 14.767 1.00 50.24 ? 95 PRO B O 1 ATOM 3787 C CB . PRO B 1 78 ? -0.266 -23.420 17.678 1.00 49.42 ? 95 PRO B CB 1 ATOM 3788 C CG . PRO B 1 78 ? -0.114 -22.398 18.763 1.00 52.65 ? 95 PRO B CG 1 ATOM 3789 C CD . PRO B 1 78 ? 1.247 -22.619 19.361 1.00 48.60 ? 95 PRO B CD 1 ATOM 3790 N N . LYS B 1 79 ? 1.912 -21.612 16.035 1.00 42.04 ? 96 LYS B N 1 ATOM 3791 C CA . LYS B 1 79 ? 2.260 -20.754 14.896 1.00 47.29 ? 96 LYS B CA 1 ATOM 3792 C C . LYS B 1 79 ? 3.560 -21.176 14.212 1.00 41.30 ? 96 LYS B C 1 ATOM 3793 O O . LYS B 1 79 ? 3.709 -21.008 13.003 1.00 46.63 ? 96 LYS B O 1 ATOM 3794 C CB . LYS B 1 79 ? 2.359 -19.290 15.337 1.00 51.93 ? 96 LYS B CB 1 ATOM 3795 C CG . LYS B 1 79 ? 1.022 -18.696 15.752 1.00 58.39 ? 96 LYS B CG 1 ATOM 3796 C CD . LYS B 1 79 ? 1.164 -17.268 16.257 1.00 67.20 ? 96 LYS B CD 1 ATOM 3797 C CE . LYS B 1 79 ? -0.197 -16.644 16.535 1.00 71.54 ? 96 LYS B CE 1 ATOM 3798 N NZ . LYS B 1 79 ? -0.076 -15.293 17.153 1.00 65.90 ? 96 LYS B NZ 1 ATOM 3799 N N . ARG B 1 80 ? 4.497 -21.715 14.989 1.00 40.71 ? 97 ARG B N 1 ATOM 3800 C CA . ARG B 1 80 ? 5.804 -22.112 14.465 1.00 40.34 ? 97 ARG B CA 1 ATOM 3801 C C . ARG B 1 80 ? 5.931 -23.613 14.177 1.00 41.83 ? 97 ARG B C 1 ATOM 3802 O O . ARG B 1 80 ? 6.741 -24.017 13.336 1.00 38.10 ? 97 ARG B O 1 ATOM 3803 C CB . ARG B 1 80 ? 6.888 -21.637 15.427 1.00 36.86 ? 97 ARG B CB 1 ATOM 3804 C CG . ARG B 1 80 ? 6.908 -20.103 15.510 1.00 40.74 ? 97 ARG B CG 1 ATOM 3805 C CD . ARG B 1 80 ? 8.055 -19.540 16.315 1.00 37.78 ? 97 ARG B CD 1 ATOM 3806 N NE . ARG B 1 80 ? 7.847 -19.648 17.759 1.00 36.12 ? 97 ARG B NE 1 ATOM 3807 C CZ . ARG B 1 80 ? 8.545 -20.434 18.583 1.00 41.85 ? 97 ARG B CZ 1 ATOM 3808 N NH1 . ARG B 1 80 ? 9.508 -21.235 18.129 1.00 34.54 ? 97 ARG B NH1 1 ATOM 3809 N NH2 . ARG B 1 80 ? 8.273 -20.422 19.885 1.00 37.24 ? 97 ARG B NH2 1 ATOM 3810 N N . PHE B 1 81 ? 5.122 -24.424 14.860 1.00 36.63 ? 98 PHE B N 1 ATOM 3811 C CA . PHE B 1 81 ? 5.016 -25.862 14.590 1.00 33.18 ? 98 PHE B CA 1 ATOM 3812 C C . PHE B 1 81 ? 3.561 -26.238 14.315 1.00 40.05 ? 98 PHE B C 1 ATOM 3813 O O . PHE B 1 81 ? 2.936 -26.941 15.111 1.00 41.41 ? 98 PHE B O 1 ATOM 3814 C CB . PHE B 1 81 ? 5.549 -26.655 15.789 1.00 33.18 ? 98 PHE B CB 1 ATOM 3815 C CG . PHE B 1 81 ? 6.989 -26.360 16.116 1.00 35.86 ? 98 PHE B CG 1 ATOM 3816 C CD1 . PHE B 1 81 ? 7.997 -27.215 15.692 1.00 31.18 ? 98 PHE B CD1 1 ATOM 3817 C CD2 . PHE B 1 81 ? 7.335 -25.226 16.840 1.00 31.50 ? 98 PHE B CD2 1 ATOM 3818 C CE1 . PHE B 1 81 ? 9.340 -26.944 15.991 1.00 31.96 ? 98 PHE B CE1 1 ATOM 3819 C CE2 . PHE B 1 81 ? 8.680 -24.946 17.131 1.00 36.41 ? 98 PHE B CE2 1 ATOM 3820 C CZ . PHE B 1 81 ? 9.667 -25.795 16.697 1.00 30.02 ? 98 PHE B CZ 1 ATOM 3821 N N . PRO B 1 82 ? 3.005 -25.758 13.188 1.00 43.94 ? 99 PRO B N 1 ATOM 3822 C CA . PRO B 1 82 ? 1.578 -25.960 12.915 1.00 45.47 ? 99 PRO B CA 1 ATOM 3823 C C . PRO B 1 82 ? 1.127 -27.411 12.745 1.00 49.67 ? 99 PRO B C 1 ATOM 3824 O O . PRO B 1 82 ? -0.034 -27.717 13.027 1.00 50.28 ? 99 PRO B O 1 ATOM 3825 C CB . PRO B 1 82 ? 1.346 -25.176 11.610 1.00 48.57 ? 99 PRO B CB 1 ATOM 3826 C CG . PRO B 1 82 ? 2.688 -24.998 11.012 1.00 52.48 ? 99 PRO B CG 1 ATOM 3827 C CD . PRO B 1 82 ? 3.642 -24.917 12.160 1.00 51.44 ? 99 PRO B CD 1 ATOM 3828 N N . HIS B 1 83 ? 2.016 -28.292 12.289 1.00 39.38 ? 100 HIS B N 1 ATOM 3829 C CA . HIS B 1 83 ? 1.639 -29.680 12.063 1.00 39.94 ? 100 HIS B CA 1 ATOM 3830 C C . HIS B 1 83 ? 1.836 -30.534 13.320 1.00 41.61 ? 100 HIS B C 1 ATOM 3831 O O . HIS B 1 83 ? 1.374 -31.667 13.357 1.00 41.74 ? 100 HIS B O 1 ATOM 3832 C CB . HIS B 1 83 ? 2.404 -30.283 10.876 1.00 43.74 ? 100 HIS B CB 1 ATOM 3833 C CG . HIS B 1 83 ? 2.050 -29.683 9.549 1.00 48.67 ? 100 HIS B CG 1 ATOM 3834 N ND1 . HIS B 1 83 ? 1.212 -30.308 8.648 1.00 62.17 ? 100 HIS B ND1 1 ATOM 3835 C CD2 . HIS B 1 83 ? 2.418 -28.517 8.968 1.00 45.04 ? 100 HIS B CD2 1 ATOM 3836 C CE1 . HIS B 1 83 ? 1.079 -29.551 7.573 1.00 65.96 ? 100 HIS B CE1 1 ATOM 3837 N NE2 . HIS B 1 83 ? 1.799 -28.457 7.743 1.00 61.05 ? 100 HIS B NE2 1 ATOM 3838 N N . GLY B 1 84 ? 2.503 -29.981 14.336 1.00 44.44 ? 101 GLY B N 1 ATOM 3839 C CA . GLY B 1 84 ? 2.766 -30.690 15.593 1.00 41.96 ? 101 GLY B CA 1 ATOM 3840 C C . GLY B 1 84 ? 4.069 -31.472 15.564 1.00 35.32 ? 101 GLY B C 1 ATOM 3841 O O . GLY B 1 84 ? 4.669 -31.647 14.504 1.00 42.34 ? 101 GLY B O 1 ATOM 3842 N N . ILE B 1 85 ? 4.502 -31.968 16.724 1.00 38.36 ? 102 ILE B N 1 ATOM 3843 C CA . ILE B 1 85 ? 5.779 -32.696 16.819 1.00 30.48 ? 102 ILE B CA 1 ATOM 3844 C C . ILE B 1 85 ? 5.707 -34.111 16.243 1.00 33.06 ? 102 ILE B C 1 ATOM 3845 O O . ILE B 1 85 ? 6.651 -34.534 15.571 1.00 36.38 ? 102 ILE B O 1 ATOM 3846 C CB . ILE B 1 85 ? 6.332 -32.727 18.266 1.00 31.08 ? 102 ILE B CB 1 ATOM 3847 C CG1 . ILE B 1 85 ? 6.570 -31.304 18.789 1.00 30.89 ? 102 ILE B CG1 1 ATOM 3848 C CG2 . ILE B 1 85 ? 7.615 -33.565 18.358 1.00 33.38 ? 102 ILE B CG2 1 ATOM 3849 C CD1 . ILE B 1 85 ? 7.520 -30.455 17.916 1.00 32.64 ? 102 ILE B CD1 1 ATOM 3850 N N . PRO B 1 86 ? 4.595 -34.848 16.485 1.00 36.28 ? 103 PRO B N 1 ATOM 3851 C CA . PRO B 1 86 ? 4.530 -36.176 15.868 1.00 36.02 ? 103 PRO B CA 1 ATOM 3852 C C . PRO B 1 86 ? 4.757 -36.136 14.353 1.00 35.05 ? 103 PRO B C 1 ATOM 3853 O O . PRO B 1 86 ? 5.477 -36.979 13.811 1.00 37.30 ? 103 PRO B O 1 ATOM 3854 C CB . PRO B 1 86 ? 3.113 -36.658 16.214 1.00 40.10 ? 103 PRO B CB 1 ATOM 3855 C CG . PRO B 1 86 ? 2.778 -35.954 17.472 1.00 38.08 ? 103 PRO B CG 1 ATOM 3856 C CD . PRO B 1 86 ? 3.478 -34.624 17.425 1.00 35.27 ? 103 PRO B CD 1 ATOM 3857 N N . PHE B 1 87 ? 4.167 -35.144 13.684 1.00 36.14 ? 104 PHE B N 1 ATOM 3858 C CA . PHE B 1 87 ? 4.354 -34.949 12.242 1.00 41.29 ? 104 PHE B CA 1 ATOM 3859 C C . PHE B 1 87 ? 5.824 -34.743 11.894 1.00 36.82 ? 104 PHE B C 1 ATOM 3860 O O . PHE B 1 87 ? 6.343 -35.291 10.911 1.00 35.95 ? 104 PHE B O 1 ATOM 3861 C CB . PHE B 1 87 ? 3.544 -33.731 11.783 1.00 37.34 ? 104 PHE B CB 1 ATOM 3862 C CG . PHE B 1 87 ? 3.775 -33.332 10.343 1.00 49.06 ? 104 PHE B CG 1 ATOM 3863 C CD1 . PHE B 1 87 ? 2.963 -33.831 9.332 1.00 59.93 ? 104 PHE B CD1 1 ATOM 3864 C CD2 . PHE B 1 87 ? 4.783 -32.426 10.004 1.00 53.07 ? 104 PHE B CD2 1 ATOM 3865 C CE1 . PHE B 1 87 ? 3.162 -33.452 8.000 1.00 66.82 ? 104 PHE B CE1 1 ATOM 3866 C CE2 . PHE B 1 87 ? 4.984 -32.046 8.678 1.00 52.42 ? 104 PHE B CE2 1 ATOM 3867 C CZ . PHE B 1 87 ? 4.171 -32.562 7.677 1.00 58.36 ? 104 PHE B CZ 1 ATOM 3868 N N . LEU B 1 88 ? 6.504 -33.952 12.707 1.00 34.00 ? 105 LEU B N 1 ATOM 3869 C CA . LEU B 1 88 ? 7.910 -33.664 12.462 1.00 35.12 ? 105 LEU B CA 1 ATOM 3870 C C . LEU B 1 88 ? 8.785 -34.901 12.688 1.00 30.37 ? 105 LEU B C 1 ATOM 3871 O O . LEU B 1 88 ? 9.736 -35.148 11.932 1.00 31.65 ? 105 LEU B O 1 ATOM 3872 C CB . LEU B 1 88 ? 8.362 -32.496 13.336 1.00 35.59 ? 105 LEU B CB 1 ATOM 3873 C CG . LEU B 1 88 ? 9.798 -32.015 13.139 1.00 36.66 ? 105 LEU B CG 1 ATOM 3874 C CD1 . LEU B 1 88 ? 10.031 -31.537 11.703 1.00 34.50 ? 105 LEU B CD1 1 ATOM 3875 C CD2 . LEU B 1 88 ? 10.096 -30.912 14.147 1.00 31.60 ? 105 LEU B CD2 1 ATOM 3876 N N . ALA B 1 89 ? 8.467 -35.679 13.722 1.00 32.74 ? 106 ALA B N 1 ATOM 3877 C CA . ALA B 1 89 ? 9.193 -36.912 13.988 1.00 27.21 ? 106 ALA B CA 1 ATOM 3878 C C . ALA B 1 89 ? 8.982 -37.906 12.850 1.00 33.82 ? 106 ALA B C 1 ATOM 3879 O O . ALA B 1 89 ? 9.945 -38.535 12.386 1.00 34.09 ? 106 ALA B O 1 ATOM 3880 C CB . ALA B 1 89 ? 8.770 -37.509 15.333 1.00 32.03 ? 106 ALA B CB 1 ATOM 3881 N N . ASP B 1 90 ? 7.734 -38.027 12.380 1.00 39.63 ? 107 ASP B N 1 ATOM 3882 C CA . ASP B 1 90 ? 7.434 -38.861 11.212 1.00 37.38 ? 107 ASP B CA 1 ATOM 3883 C C . ASP B 1 90 ? 8.274 -38.450 10.015 1.00 36.91 ? 107 ASP B C 1 ATOM 3884 O O . ASP B 1 90 ? 8.862 -39.303 9.343 1.00 40.12 ? 107 ASP B O 1 ATOM 3885 C CB . ASP B 1 90 ? 5.949 -38.783 10.821 1.00 39.45 ? 107 ASP B CB 1 ATOM 3886 C CG . ASP B 1 90 ? 5.038 -39.458 11.816 1.00 45.16 ? 107 ASP B CG 1 ATOM 3887 O OD1 . ASP B 1 90 ? 5.532 -40.161 12.727 1.00 42.98 ? 107 ASP B OD1 1 ATOM 3888 O OD2 . ASP B 1 90 ? 3.811 -39.281 11.678 1.00 50.47 ? 107 ASP B OD2 1 ATOM 3889 N N . TYR B 1 91 ? 8.324 -37.147 9.748 1.00 36.49 ? 108 TYR B N 1 ATOM 3890 C CA . TYR B 1 91 ? 9.061 -36.629 8.601 1.00 37.67 ? 108 TYR B CA 1 ATOM 3891 C C . TYR B 1 91 ? 10.542 -36.963 8.711 1.00 34.10 ? 108 TYR B C 1 ATOM 3892 O O . TYR B 1 91 ? 11.162 -37.483 7.776 1.00 33.51 ? 108 TYR B O 1 ATOM 3893 C CB . TYR B 1 91 ? 8.900 -35.111 8.492 1.00 37.24 ? 108 TYR B CB 1 ATOM 3894 C CG . TYR B 1 91 ? 9.487 -34.557 7.216 1.00 32.16 ? 108 TYR B CG 1 ATOM 3895 C CD1 . TYR B 1 91 ? 8.795 -34.676 6.007 1.00 46.40 ? 108 TYR B CD1 1 ATOM 3896 C CD2 . TYR B 1 91 ? 10.717 -33.911 7.199 1.00 31.73 ? 108 TYR B CD2 1 ATOM 3897 C CE1 . TYR B 1 91 ? 9.320 -34.172 4.821 1.00 49.82 ? 108 TYR B CE1 1 ATOM 3898 C CE2 . TYR B 1 91 ? 11.256 -33.410 6.017 1.00 37.43 ? 108 TYR B CE2 1 ATOM 3899 C CZ . TYR B 1 91 ? 10.549 -33.539 4.832 1.00 40.81 ? 108 TYR B CZ 1 ATOM 3900 O OH . TYR B 1 91 ? 11.071 -33.033 3.658 1.00 42.51 ? 108 TYR B OH 1 ATOM 3901 N N . VAL B 1 92 ? 11.105 -36.636 9.868 1.00 34.73 ? 109 VAL B N 1 ATOM 3902 C CA . VAL B 1 92 ? 12.496 -36.919 10.178 1.00 34.84 ? 109 VAL B CA 1 ATOM 3903 C C . VAL B 1 92 ? 12.788 -38.420 10.078 1.00 29.84 ? 109 VAL B C 1 ATOM 3904 O O . VAL B 1 92 ? 13.767 -38.818 9.449 1.00 30.18 ? 109 VAL B O 1 ATOM 3905 C CB . VAL B 1 92 ? 12.845 -36.342 11.567 1.00 35.43 ? 109 VAL B CB 1 ATOM 3906 C CG1 . VAL B 1 92 ? 14.174 -36.848 12.057 1.00 37.47 ? 109 VAL B CG1 1 ATOM 3907 C CG2 . VAL B 1 92 ? 12.843 -34.814 11.501 1.00 34.56 ? 109 VAL B CG2 1 ATOM 3908 N N . HIS B 1 93 ? 11.915 -39.254 10.642 1.00 31.01 ? 110 HIS B N 1 ATOM 3909 C CA . HIS B 1 93 ? 12.073 -40.711 10.521 1.00 33.95 ? 110 HIS B CA 1 ATOM 3910 C C . HIS B 1 93 ? 12.022 -41.220 9.083 1.00 33.49 ? 110 HIS B C 1 ATOM 3911 O O . HIS B 1 93 ? 12.723 -42.174 8.740 1.00 38.03 ? 110 HIS B O 1 ATOM 3912 C CB . HIS B 1 93 ? 11.013 -41.452 11.325 1.00 34.84 ? 110 HIS B CB 1 ATOM 3913 C CG . HIS B 1 93 ? 11.109 -41.242 12.799 1.00 30.61 ? 110 HIS B CG 1 ATOM 3914 N ND1 . HIS B 1 93 ? 12.295 -40.959 13.441 1.00 36.63 ? 110 HIS B ND1 1 ATOM 3915 C CD2 . HIS B 1 93 ? 10.165 -41.301 13.763 1.00 27.89 ? 110 HIS B CD2 1 ATOM 3916 C CE1 . HIS B 1 93 ? 12.068 -40.848 14.737 1.00 28.57 ? 110 HIS B CE1 1 ATOM 3917 N NE2 . HIS B 1 93 ? 10.784 -41.042 14.958 1.00 40.78 ? 110 HIS B NE2 1 ATOM 3918 N N . SER B 1 94 ? 11.185 -40.604 8.251 1.00 36.01 ? 111 SER B N 1 ATOM 3919 C CA . SER B 1 94 ? 11.039 -41.021 6.849 1.00 36.75 ? 111 SER B CA 1 ATOM 3920 C C . SER B 1 94 ? 12.325 -40.834 6.046 1.00 36.31 ? 111 SER B C 1 ATOM 3921 O O . SER B 1 94 ? 12.520 -41.476 5.015 1.00 38.05 ? 111 SER B O 1 ATOM 3922 C CB . SER B 1 94 ? 9.890 -40.266 6.170 1.00 43.18 ? 111 SER B CB 1 ATOM 3923 O OG . SER B 1 94 ? 10.258 -38.923 5.901 1.00 43.14 ? 111 SER B OG 1 ATOM 3924 N N . LEU B 1 95 ? 13.208 -39.971 6.545 1.00 32.24 ? 112 LEU B N 1 ATOM 3925 C CA . LEU B 1 95 ? 14.492 -39.675 5.909 1.00 33.27 ? 112 LEU B CA 1 ATOM 3926 C C . LEU B 1 95 ? 15.657 -40.432 6.548 1.00 34.01 ? 112 LEU B C 1 ATOM 3927 O O . LEU B 1 95 ? 16.819 -40.172 6.226 1.00 34.99 ? 112 LEU B O 1 ATOM 3928 C CB . LEU B 1 95 ? 14.759 -38.172 5.991 1.00 32.94 ? 112 LEU B CB 1 ATOM 3929 C CG . LEU B 1 95 ? 13.744 -37.287 5.271 1.00 44.78 ? 112 LEU B CG 1 ATOM 3930 C CD1 . LEU B 1 95 ? 14.029 -35.823 5.557 1.00 36.97 ? 112 LEU B CD1 1 ATOM 3931 C CD2 . LEU B 1 95 ? 13.778 -37.569 3.787 1.00 39.08 ? 112 LEU B CD2 1 ATOM 3932 N N . GLY B 1 96 ? 15.350 -41.368 7.446 1.00 34.20 ? 113 GLY B N 1 ATOM 3933 C CA . GLY B 1 96 ? 16.379 -42.163 8.122 1.00 32.70 ? 113 GLY B CA 1 ATOM 3934 C C . GLY B 1 96 ? 17.116 -41.424 9.226 1.00 34.35 ? 113 GLY B C 1 ATOM 3935 O O . GLY B 1 96 ? 18.231 -41.793 9.568 1.00 30.21 ? 113 GLY B O 1 ATOM 3936 N N . LEU B 1 97 ? 16.479 -40.393 9.775 1.00 26.66 ? 114 LEU B N 1 ATOM 3937 C CA . LEU B 1 97 ? 17.033 -39.564 10.821 1.00 27.34 ? 114 LEU B CA 1 ATOM 3938 C C . LEU B 1 97 ? 16.289 -39.796 12.143 1.00 29.16 ? 114 LEU B C 1 ATOM 3939 O O . LEU B 1 97 ? 15.257 -40.484 12.189 1.00 27.57 ? 114 LEU B O 1 ATOM 3940 C CB . LEU B 1 97 ? 16.961 -38.084 10.414 1.00 25.75 ? 114 LEU B CB 1 ATOM 3941 C CG . LEU B 1 97 ? 17.760 -37.721 9.161 1.00 26.97 ? 114 LEU B CG 1 ATOM 3942 C CD1 . LEU B 1 97 ? 17.365 -36.316 8.666 1.00 29.85 ? 114 LEU B CD1 1 ATOM 3943 C CD2 . LEU B 1 97 ? 19.279 -37.836 9.396 1.00 24.98 ? 114 LEU B CD2 1 ATOM 3944 N N . LYS B 1 98 ? 16.842 -39.228 13.208 1.00 26.10 ? 115 LYS B N 1 ATOM 3945 C CA . LYS B 1 98 ? 16.294 -39.338 14.540 1.00 22.81 ? 115 LYS B CA 1 ATOM 3946 C C . LYS B 1 98 ? 16.005 -37.935 15.042 1.00 22.94 ? 115 LYS B C 1 ATOM 3947 O O . LYS B 1 98 ? 16.746 -37.001 14.725 1.00 28.04 ? 115 LYS B O 1 ATOM 3948 C CB . LYS B 1 98 ? 17.292 -40.067 15.449 1.00 25.17 ? 115 LYS B CB 1 ATOM 3949 C CG . LYS B 1 98 ? 17.502 -41.516 15.005 1.00 34.69 ? 115 LYS B CG 1 ATOM 3950 C CD . LYS B 1 98 ? 18.284 -42.333 16.015 1.00 33.23 ? 115 LYS B CD 1 ATOM 3951 C CE . LYS B 1 98 ? 18.308 -43.822 15.676 1.00 37.45 ? 115 LYS B CE 1 ATOM 3952 N NZ . LYS B 1 98 ? 16.969 -44.447 15.790 1.00 51.67 ? 115 LYS B NZ 1 ATOM 3953 N N . LEU B 1 99 ? 14.930 -37.775 15.811 1.00 25.59 ? 116 LEU B N 1 ATOM 3954 C CA . LEU B 1 99 ? 14.539 -36.452 16.326 1.00 22.37 ? 116 LEU B CA 1 ATOM 3955 C C . LEU B 1 99 ? 14.867 -36.303 17.795 1.00 23.23 ? 116 LEU B C 1 ATOM 3956 O O . LEU B 1 99 ? 14.431 -37.108 18.618 1.00 24.46 ? 116 LEU B O 1 ATOM 3957 C CB . LEU B 1 99 ? 13.047 -36.188 16.148 1.00 27.02 ? 116 LEU B CB 1 ATOM 3958 C CG . LEU B 1 99 ? 12.572 -34.771 16.499 1.00 26.00 ? 116 LEU B CG 1 ATOM 3959 C CD1 . LEU B 1 99 ? 13.083 -33.747 15.487 1.00 25.79 ? 116 LEU B CD1 1 ATOM 3960 C CD2 . LEU B 1 99 ? 11.024 -34.727 16.586 1.00 29.75 ? 116 LEU B CD2 1 ATOM 3961 N N . GLY B 1 100 ? 15.615 -35.247 18.118 1.00 21.31 ? 117 GLY B N 1 ATOM 3962 C CA . GLY B 1 100 ? 15.896 -34.909 19.500 1.00 20.11 ? 117 GLY B CA 1 ATOM 3963 C C . GLY B 1 100 ? 15.050 -33.739 19.924 1.00 22.15 ? 117 GLY B C 1 ATOM 3964 O O . GLY B 1 100 ? 14.647 -32.914 19.100 1.00 24.46 ? 117 GLY B O 1 ATOM 3965 N N . ILE B 1 101 ? 14.772 -33.668 21.220 1.00 23.34 ? 118 ILE B N 1 ATOM 3966 C CA . ILE B 1 101 ? 14.009 -32.571 21.774 1.00 23.10 ? 118 ILE B CA 1 ATOM 3967 C C . ILE B 1 101 ? 14.654 -32.093 23.057 1.00 22.67 ? 118 ILE B C 1 ATOM 3968 O O . ILE B 1 101 ? 15.661 -32.647 23.526 1.00 23.48 ? 118 ILE B O 1 ATOM 3969 C CB . ILE B 1 101 ? 12.495 -32.962 21.940 1.00 24.63 ? 118 ILE B CB 1 ATOM 3970 C CG1 . ILE B 1 101 ? 11.565 -31.742 21.835 1.00 27.48 ? 118 ILE B CG1 1 ATOM 3971 C CG2 . ILE B 1 101 ? 12.265 -33.748 23.248 1.00 25.95 ? 118 ILE B CG2 1 ATOM 3972 C CD1 . ILE B 1 101 ? 10.143 -32.097 21.425 1.00 29.13 ? 118 ILE B CD1 1 ATOM 3973 N N . TYR B 1 102 ? 14.071 -31.059 23.634 1.00 23.00 ? 119 TYR B N 1 ATOM 3974 C CA . TYR B 1 102 ? 14.677 -30.322 24.732 1.00 22.61 ? 119 TYR B CA 1 ATOM 3975 C C . TYR B 1 102 ? 13.628 -30.048 25.797 1.00 27.71 ? 119 TYR B C 1 ATOM 3976 O O . TYR B 1 102 ? 12.475 -29.728 25.483 1.00 26.67 ? 119 TYR B O 1 ATOM 3977 C CB . TYR B 1 102 ? 15.249 -29.010 24.194 1.00 25.53 ? 119 TYR B CB 1 ATOM 3978 C CG . TYR B 1 102 ? 15.626 -27.986 25.245 1.00 21.63 ? 119 TYR B CG 1 ATOM 3979 C CD1 . TYR B 1 102 ? 16.955 -27.761 25.584 1.00 23.61 ? 119 TYR B CD1 1 ATOM 3980 C CD2 . TYR B 1 102 ? 14.658 -27.224 25.883 1.00 25.45 ? 119 TYR B CD2 1 ATOM 3981 C CE1 . TYR B 1 102 ? 17.313 -26.825 26.550 1.00 22.94 ? 119 TYR B CE1 1 ATOM 3982 C CE2 . TYR B 1 102 ? 15.004 -26.281 26.844 1.00 22.96 ? 119 TYR B CE2 1 ATOM 3983 C CZ . TYR B 1 102 ? 16.337 -26.091 27.173 1.00 26.51 ? 119 TYR B CZ 1 ATOM 3984 O OH . TYR B 1 102 ? 16.668 -25.167 28.130 1.00 23.34 ? 119 TYR B OH 1 ATOM 3985 N N . ALA B 1 103 ? 14.047 -30.147 27.053 1.00 26.10 ? 120 ALA B N 1 ATOM 3986 C CA . ALA B 1 103 ? 13.228 -29.758 28.200 1.00 27.97 ? 120 ALA B CA 1 ATOM 3987 C C . ALA B 1 103 ? 14.162 -29.248 29.281 1.00 27.11 ? 120 ALA B C 1 ATOM 3988 O O . ALA B 1 103 ? 15.374 -29.382 29.172 1.00 24.51 ? 120 ALA B O 1 ATOM 3989 C CB . ALA B 1 103 ? 12.397 -30.937 28.720 1.00 26.07 ? 120 ALA B CB 1 ATOM 3990 N N . ASP B 1 104 ? 13.603 -28.667 30.335 1.00 25.28 ? 121 ASP B N 1 ATOM 3991 C CA . ASP B 1 104 ? 14.411 -28.154 31.441 1.00 23.39 ? 121 ASP B CA 1 ATOM 3992 C C . ASP B 1 104 ? 13.915 -28.694 32.775 1.00 30.86 ? 121 ASP B C 1 ATOM 3993 O O . ASP B 1 104 ? 12.720 -28.617 33.068 1.00 27.71 ? 121 ASP B O 1 ATOM 3994 C CB . ASP B 1 104 ? 14.389 -26.627 31.432 1.00 27.73 ? 121 ASP B CB 1 ATOM 3995 C CG . ASP B 1 104 ? 15.299 -26.016 32.480 1.00 26.15 ? 121 ASP B CG 1 ATOM 3996 O OD1 . ASP B 1 104 ? 14.996 -26.142 33.688 1.00 29.66 ? 121 ASP B OD1 1 ATOM 3997 O OD2 . ASP B 1 104 ? 16.303 -25.374 32.099 1.00 26.78 ? 121 ASP B OD2 1 ATOM 3998 N N . MET B 1 105 ? 14.847 -29.245 33.559 1.00 27.12 ? 122 MET B N 1 ATOM 3999 C CA . MET B 1 105 ? 14.599 -29.747 34.921 1.00 29.16 ? 122 MET B CA 1 ATOM 4000 C C . MET B 1 105 ? 14.567 -28.559 35.876 1.00 33.75 ? 122 MET B C 1 ATOM 4001 O O . MET B 1 105 ? 15.585 -28.141 36.430 1.00 31.51 ? 122 MET B O 1 ATOM 4002 C CB . MET B 1 105 ? 15.697 -30.741 35.323 1.00 28.91 ? 122 MET B CB 1 ATOM 4003 C CG . MET B 1 105 ? 15.472 -31.511 36.619 1.00 37.27 ? 122 MET B CG 1 ATOM 4004 S SD . MET B 1 105 ? 13.917 -32.434 36.660 1.00 35.69 ? 122 MET B SD 1 ATOM 4005 C CE . MET B 1 105 ? 13.025 -31.448 37.852 1.00 32.94 ? 122 MET B CE 1 ATOM 4006 N N . GLY B 1 106 ? 13.379 -27.986 36.033 1.00 31.92 ? 123 GLY B N 1 ATOM 4007 C CA . GLY B 1 106 ? 13.215 -26.760 36.792 1.00 32.69 ? 123 GLY B CA 1 ATOM 4008 C C . GLY B 1 106 ? 11.901 -26.099 36.432 1.00 31.29 ? 123 GLY B C 1 ATOM 4009 O O . GLY B 1 106 ? 11.091 -26.655 35.676 1.00 32.62 ? 123 GLY B O 1 ATOM 4010 N N . ASN B 1 107 ? 11.699 -24.908 36.971 1.00 35.83 ? 124 ASN B N 1 ATOM 4011 C CA . ASN B 1 107 ? 10.453 -24.170 36.786 1.00 39.27 ? 124 ASN B CA 1 ATOM 4012 C C . ASN B 1 107 ? 10.205 -23.692 35.360 1.00 35.52 ? 124 ASN B C 1 ATOM 4013 O O . ASN B 1 107 ? 9.051 -23.656 34.903 1.00 39.40 ? 124 ASN B O 1 ATOM 4014 C CB . ASN B 1 107 ? 10.441 -22.960 37.707 1.00 37.58 ? 124 ASN B CB 1 ATOM 4015 C CG . ASN B 1 107 ? 10.248 -23.327 39.166 1.00 46.00 ? 124 ASN B CG 1 ATOM 4016 O OD1 . ASN B 1 107 ? 9.907 -24.467 39.528 1.00 41.66 ? 124 ASN B OD1 1 ATOM 4017 N ND2 . ASN B 1 107 ? 10.476 -22.342 40.024 1.00 56.90 ? 124 ASN B ND2 1 ATOM 4018 N N . PHE B 1 108 ? 11.278 -23.289 34.683 1.00 32.83 ? 125 PHE B N 1 ATOM 4019 C CA . PHE B 1 108 ? 11.203 -22.802 33.307 1.00 30.32 ? 125 PHE B CA 1 ATOM 4020 C C . PHE B 1 108 ? 12.443 -23.244 32.569 1.00 27.66 ? 125 PHE B C 1 ATOM 4021 O O . PHE B 1 108 ? 13.443 -23.587 33.204 1.00 32.04 ? 125 PHE B O 1 ATOM 4022 C CB . PHE B 1 108 ? 11.131 -21.265 33.255 1.00 32.77 ? 125 PHE B CB 1 ATOM 4023 C CG . PHE B 1 108 ? 10.001 -20.684 34.068 1.00 33.51 ? 125 PHE B CG 1 ATOM 4024 C CD1 . PHE B 1 108 ? 10.225 -20.205 35.357 1.00 38.39 ? 125 PHE B CD1 1 ATOM 4025 C CD2 . PHE B 1 108 ? 8.720 -20.634 33.547 1.00 41.35 ? 125 PHE B CD2 1 ATOM 4026 C CE1 . PHE B 1 108 ? 9.178 -19.680 36.116 1.00 44.18 ? 125 PHE B CE1 1 ATOM 4027 C CE2 . PHE B 1 108 ? 7.667 -20.105 34.297 1.00 49.88 ? 125 PHE B CE2 1 ATOM 4028 C CZ . PHE B 1 108 ? 7.902 -19.634 35.585 1.00 43.74 ? 125 PHE B CZ 1 ATOM 4029 N N . THR B 1 109 ? 12.380 -23.220 31.236 1.00 30.26 ? 126 THR B N 1 ATOM 4030 C CA . THR B 1 109 ? 13.583 -23.394 30.436 1.00 27.22 ? 126 THR B CA 1 ATOM 4031 C C . THR B 1 109 ? 14.442 -22.153 30.639 1.00 29.68 ? 126 THR B C 1 ATOM 4032 O O . THR B 1 109 ? 13.965 -21.138 31.149 1.00 29.25 ? 126 THR B O 1 ATOM 4033 C CB . THR B 1 109 ? 13.300 -23.604 28.936 1.00 28.32 ? 126 THR B CB 1 ATOM 4034 O OG1 . THR B 1 109 ? 12.920 -22.360 28.317 1.00 28.37 ? 126 THR B OG1 1 ATOM 4035 C CG2 . THR B 1 109 ? 12.238 -24.670 28.729 1.00 26.78 ? 126 THR B CG2 1 ATOM 4036 N N . CYS B 1 110 ? 15.717 -22.225 30.268 1.00 28.21 ? 127 CYS B N 1 ATOM 4037 C CA . CYS B 1 110 ? 16.598 -21.091 30.476 1.00 28.79 ? 127 CYS B CA 1 ATOM 4038 C C . CYS B 1 110 ? 16.049 -19.814 29.822 1.00 24.90 ? 127 CYS B C 1 ATOM 4039 O O . CYS B 1 110 ? 16.260 -18.733 30.338 1.00 29.82 ? 127 CYS B O 1 ATOM 4040 C CB . CYS B 1 110 ? 17.995 -21.394 29.961 1.00 26.38 ? 127 CYS B CB 1 ATOM 4041 S SG . CYS B 1 110 ? 18.808 -22.769 30.792 1.00 29.74 ? 127 CYS B SG 1 ATOM 4042 N N . MET B 1 111 ? 15.332 -19.952 28.703 1.00 31.10 ? 128 MET B N 1 ATOM 4043 C CA . MET B 1 111 ? 14.742 -18.802 28.016 1.00 30.09 ? 128 MET B CA 1 ATOM 4044 C C . MET B 1 111 ? 13.304 -18.492 28.444 1.00 32.31 ? 128 MET B C 1 ATOM 4045 O O . MET B 1 111 ? 12.646 -17.649 27.813 1.00 32.21 ? 128 MET B O 1 ATOM 4046 C CB . MET B 1 111 ? 14.830 -18.979 26.498 1.00 30.89 ? 128 MET B CB 1 ATOM 4047 C CG . MET B 1 111 ? 16.259 -18.987 25.976 1.00 28.95 ? 128 MET B CG 1 ATOM 4048 S SD . MET B 1 111 ? 17.109 -17.434 26.212 1.00 33.37 ? 128 MET B SD 1 ATOM 4049 C CE . MET B 1 111 ? 17.507 -17.344 27.952 1.00 53.56 ? 128 MET B CE 1 ATOM 4050 N N . GLY B 1 112 ? 12.841 -19.155 29.509 1.00 32.15 ? 129 GLY B N 1 ATOM 4051 C CA . GLY B 1 112 ? 11.579 -18.827 30.184 1.00 33.50 ? 129 GLY B CA 1 ATOM 4052 C C . GLY B 1 112 ? 10.351 -19.586 29.712 1.00 37.58 ? 129 GLY B C 1 ATOM 4053 O O . GLY B 1 112 ? 9.213 -19.227 30.056 1.00 37.49 ? 129 GLY B O 1 ATOM 4054 N N . TYR B 1 113 ? 10.569 -20.624 28.914 1.00 31.59 ? 130 TYR B N 1 ATOM 4055 C CA . TYR B 1 113 ? 9.492 -21.466 28.411 1.00 32.18 ? 130 TYR B CA 1 ATOM 4056 C C . TYR B 1 113 ? 9.066 -22.449 29.500 1.00 37.52 ? 130 TYR B C 1 ATOM 4057 O O . TYR B 1 113 ? 9.747 -22.568 30.517 1.00 32.05 ? 130 TYR B O 1 ATOM 4058 C CB . TYR B 1 113 ? 9.924 -22.149 27.102 1.00 35.22 ? 130 TYR B CB 1 ATOM 4059 C CG . TYR B 1 113 ? 9.992 -21.153 25.957 1.00 33.18 ? 130 TYR B CG 1 ATOM 4060 C CD1 . TYR B 1 113 ? 9.024 -21.136 24.964 1.00 37.44 ? 130 TYR B CD1 1 ATOM 4061 C CD2 . TYR B 1 113 ? 11.011 -20.206 25.892 1.00 33.80 ? 130 TYR B CD2 1 ATOM 4062 C CE1 . TYR B 1 113 ? 9.068 -20.200 23.914 1.00 34.62 ? 130 TYR B CE1 1 ATOM 4063 C CE2 . TYR B 1 113 ? 11.058 -19.264 24.864 1.00 31.64 ? 130 TYR B CE2 1 ATOM 4064 C CZ . TYR B 1 113 ? 10.089 -19.268 23.879 1.00 37.14 ? 130 TYR B CZ 1 ATOM 4065 O OH . TYR B 1 113 ? 10.155 -18.345 22.861 1.00 35.06 ? 130 TYR B OH 1 ATOM 4066 N N . PRO B 1 114 ? 7.914 -23.122 29.323 1.00 34.94 ? 131 PRO B N 1 ATOM 4067 C CA . PRO B 1 114 ? 7.456 -23.993 30.406 1.00 36.75 ? 131 PRO B CA 1 ATOM 4068 C C . PRO B 1 114 ? 8.491 -25.046 30.827 1.00 37.12 ? 131 PRO B C 1 ATOM 4069 O O . PRO B 1 114 ? 9.019 -25.782 29.986 1.00 34.20 ? 131 PRO B O 1 ATOM 4070 C CB . PRO B 1 114 ? 6.195 -24.636 29.827 1.00 37.39 ? 131 PRO B CB 1 ATOM 4071 C CG . PRO B 1 114 ? 5.671 -23.610 28.877 1.00 39.58 ? 131 PRO B CG 1 ATOM 4072 C CD . PRO B 1 114 ? 6.886 -22.960 28.276 1.00 38.88 ? 131 PRO B CD 1 ATOM 4073 N N . GLY B 1 115 ? 8.786 -25.078 32.124 1.00 34.34 ? 132 GLY B N 1 ATOM 4074 C CA . GLY B 1 115 ? 9.712 -26.049 32.696 1.00 35.59 ? 132 GLY B CA 1 ATOM 4075 C C . GLY B 1 115 ? 9.109 -27.404 32.988 1.00 35.74 ? 132 GLY B C 1 ATOM 4076 O O . GLY B 1 115 ? 7.895 -27.547 33.216 1.00 34.99 ? 132 GLY B O 1 ATOM 4077 N N . THR B 1 116 ? 9.975 -28.409 32.975 1.00 30.99 ? 133 THR B N 1 ATOM 4078 C CA . THR B 1 116 ? 9.618 -29.742 33.389 1.00 33.74 ? 133 THR B CA 1 ATOM 4079 C C . THR B 1 116 ? 9.962 -29.830 34.869 1.00 33.18 ? 133 THR B C 1 ATOM 4080 O O . THR B 1 116 ? 11.080 -30.172 35.258 1.00 34.83 ? 133 THR B O 1 ATOM 4081 C CB . THR B 1 116 ? 10.346 -30.804 32.544 1.00 32.53 ? 133 THR B CB 1 ATOM 4082 O OG1 . THR B 1 116 ? 9.931 -30.673 31.177 1.00 29.26 ? 133 THR B OG1 1 ATOM 4083 C CG2 . THR B 1 116 ? 10.021 -32.224 33.037 1.00 31.88 ? 133 THR B CG2 1 ATOM 4084 N N . THR B 1 117 ? 8.977 -29.496 35.700 1.00 36.93 ? 134 THR B N 1 ATOM 4085 C CA . THR B 1 117 ? 9.125 -29.581 37.145 1.00 34.88 ? 134 THR B CA 1 ATOM 4086 C C . THR B 1 117 ? 9.085 -31.055 37.562 1.00 31.79 ? 134 THR B C 1 ATOM 4087 O O . THR B 1 117 ? 8.737 -31.922 36.763 1.00 36.20 ? 134 THR B O 1 ATOM 4088 C CB . THR B 1 117 ? 7.972 -28.834 37.839 1.00 40.91 ? 134 THR B CB 1 ATOM 4089 O OG1 . THR B 1 117 ? 6.732 -29.343 37.338 1.00 43.14 ? 134 THR B OG1 1 ATOM 4090 C CG2 . THR B 1 117 ? 8.061 -27.337 37.548 1.00 46.25 ? 134 THR B CG2 1 ATOM 4091 N N . LEU B 1 118 ? 9.426 -31.347 38.812 1.00 34.06 ? 135 LEU B N 1 ATOM 4092 C CA . LEU B 1 118 ? 9.403 -32.735 39.288 1.00 38.36 ? 135 LEU B CA 1 ATOM 4093 C C . LEU B 1 118 ? 8.031 -33.394 39.066 1.00 38.72 ? 135 LEU B C 1 ATOM 4094 O O . LEU B 1 118 ? 7.956 -34.577 38.727 1.00 36.53 ? 135 LEU B O 1 ATOM 4095 C CB . LEU B 1 118 ? 9.801 -32.811 40.764 1.00 39.96 ? 135 LEU B CB 1 ATOM 4096 C CG . LEU B 1 118 ? 11.273 -32.546 41.105 1.00 44.51 ? 135 LEU B CG 1 ATOM 4097 C CD1 . LEU B 1 118 ? 11.456 -32.412 42.620 1.00 41.45 ? 135 LEU B CD1 1 ATOM 4098 C CD2 . LEU B 1 118 ? 12.211 -33.637 40.544 1.00 35.74 ? 135 LEU B CD2 1 ATOM 4099 N N . ASP B 1 119 ? 6.953 -32.618 39.221 1.00 38.32 ? 136 ASP B N 1 ATOM 4100 C CA . ASP B 1 119 ? 5.589 -33.131 39.035 1.00 35.44 ? 136 ASP B CA 1 ATOM 4101 C C . ASP B 1 119 ? 5.222 -33.414 37.569 1.00 45.36 ? 136 ASP B C 1 ATOM 4102 O O . ASP B 1 119 ? 4.245 -34.128 37.307 1.00 41.39 ? 136 ASP B O 1 ATOM 4103 C CB . ASP B 1 119 ? 4.567 -32.160 39.634 1.00 48.92 ? 136 ASP B CB 1 ATOM 4104 C CG . ASP B 1 119 ? 4.602 -32.125 41.157 1.00 62.79 ? 136 ASP B CG 1 ATOM 4105 O OD1 . ASP B 1 119 ? 5.451 -32.811 41.768 1.00 71.18 ? 136 ASP B OD1 1 ATOM 4106 O OD2 . ASP B 1 119 ? 3.779 -31.390 41.745 1.00 85.34 ? 136 ASP B OD2 1 ATOM 4107 N N . LYS B 1 120 ? 6.003 -32.870 36.629 1.00 35.95 ? 137 LYS B N 1 ATOM 4108 C CA . LYS B 1 120 ? 5.759 -33.067 35.198 1.00 35.33 ? 137 LYS B CA 1 ATOM 4109 C C . LYS B 1 120 ? 6.747 -34.023 34.517 1.00 35.12 ? 137 LYS B C 1 ATOM 4110 O O . LYS B 1 120 ? 6.560 -34.358 33.341 1.00 33.77 ? 137 LYS B O 1 ATOM 4111 C CB . LYS B 1 120 ? 5.786 -31.719 34.472 1.00 36.59 ? 137 LYS B CB 1 ATOM 4112 C CG . LYS B 1 120 ? 4.697 -30.733 34.903 1.00 39.25 ? 137 LYS B CG 1 ATOM 4113 C CD . LYS B 1 120 ? 3.330 -31.256 34.523 1.00 40.94 ? 137 LYS B CD 1 ATOM 4114 C CE . LYS B 1 120 ? 2.230 -30.239 34.817 1.00 42.61 ? 137 LYS B CE 1 ATOM 4115 N NZ . LYS B 1 120 ? 0.916 -30.880 34.686 1.00 51.34 ? 137 LYS B NZ 1 ATOM 4116 N N . VAL B 1 121 ? 7.768 -34.473 35.248 1.00 34.14 ? 138 VAL B N 1 ATOM 4117 C CA . VAL B 1 121 ? 8.805 -35.362 34.686 1.00 29.78 ? 138 VAL B CA 1 ATOM 4118 C C . VAL B 1 121 ? 8.206 -36.561 33.949 1.00 29.50 ? 138 VAL B C 1 ATOM 4119 O O . VAL B 1 121 ? 8.526 -36.803 32.789 1.00 32.24 ? 138 VAL B O 1 ATOM 4120 C CB . VAL B 1 121 ? 9.808 -35.841 35.782 1.00 30.34 ? 138 VAL B CB 1 ATOM 4121 C CG1 . VAL B 1 121 ? 10.675 -37.012 35.286 1.00 31.77 ? 138 VAL B CG1 1 ATOM 4122 C CG2 . VAL B 1 121 ? 10.691 -34.692 36.244 1.00 32.21 ? 138 VAL B CG2 1 ATOM 4123 N N . VAL B 1 122 ? 7.320 -37.307 34.620 1.00 32.69 ? 139 VAL B N 1 ATOM 4124 C CA . VAL B 1 122 ? 6.740 -38.501 34.018 1.00 29.45 ? 139 VAL B CA 1 ATOM 4125 C C . VAL B 1 122 ? 5.844 -38.173 32.826 1.00 31.07 ? 139 VAL B C 1 ATOM 4126 O O . VAL B 1 122 ? 5.966 -38.791 31.770 1.00 34.63 ? 139 VAL B O 1 ATOM 4127 C CB . VAL B 1 122 ? 5.957 -39.338 35.063 1.00 36.28 ? 139 VAL B CB 1 ATOM 4128 C CG1 . VAL B 1 122 ? 5.202 -40.470 34.380 1.00 36.04 ? 139 VAL B CG1 1 ATOM 4129 C CG2 . VAL B 1 122 ? 6.911 -39.889 36.124 1.00 34.85 ? 139 VAL B CG2 1 ATOM 4130 N N . GLN B 1 123 ? 4.933 -37.215 32.991 1.00 33.22 ? 140 GLN B N 1 ATOM 4131 C CA . GLN B 1 123 ? 4.040 -36.822 31.903 1.00 37.37 ? 140 GLN B CA 1 ATOM 4132 C C . GLN B 1 123 ? 4.816 -36.375 30.666 1.00 30.70 ? 140 GLN B C 1 ATOM 4133 O O . GLN B 1 123 ? 4.458 -36.707 29.533 1.00 35.38 ? 140 GLN B O 1 ATOM 4134 C CB . GLN B 1 123 ? 3.102 -35.698 32.349 1.00 38.15 ? 140 GLN B CB 1 ATOM 4135 C CG . GLN B 1 123 ? 2.116 -35.279 31.263 1.00 41.48 ? 140 GLN B CG 1 ATOM 4136 C CD . GLN B 1 123 ? 1.014 -34.379 31.778 1.00 53.01 ? 140 GLN B CD 1 ATOM 4137 O OE1 . GLN B 1 123 ? 1.085 -33.856 32.894 1.00 41.80 ? 140 GLN B OE1 1 ATOM 4138 N NE2 . GLN B 1 123 ? -0.011 -34.184 30.956 1.00 46.78 ? 140 GLN B NE2 1 ATOM 4139 N N . ASP B 1 124 ? 5.873 -35.614 30.884 1.00 32.12 ? 141 ASP B N 1 ATOM 4140 C CA . ASP B 1 124 ? 6.671 -35.107 29.770 1.00 30.78 ? 141 ASP B CA 1 ATOM 4141 C C . ASP B 1 124 ? 7.440 -36.234 29.087 1.00 26.82 ? 141 ASP B C 1 ATOM 4142 O O . ASP B 1 124 ? 7.465 -36.296 27.851 1.00 30.33 ? 141 ASP B O 1 ATOM 4143 C CB . ASP B 1 124 ? 7.581 -33.976 30.234 1.00 31.26 ? 141 ASP B CB 1 ATOM 4144 C CG . ASP B 1 124 ? 6.811 -32.697 30.525 1.00 35.08 ? 141 ASP B CG 1 ATOM 4145 O OD1 . ASP B 1 124 ? 7.452 -31.721 30.975 1.00 35.88 ? 141 ASP B OD1 1 ATOM 4146 O OD2 . ASP B 1 124 ? 5.567 -32.660 30.310 1.00 37.97 ? 141 ASP B OD2 1 ATOM 4147 N N . ALA B 1 125 ? 7.990 -37.164 29.879 1.00 28.88 ? 142 ALA B N 1 ATOM 4148 C CA . ALA B 1 125 ? 8.638 -38.352 29.324 1.00 26.05 ? 142 ALA B CA 1 ATOM 4149 C C . ALA B 1 125 ? 7.680 -39.155 28.456 1.00 26.18 ? 142 ALA B C 1 ATOM 4150 O O . ALA B 1 125 ? 8.024 -39.545 27.339 1.00 31.65 ? 142 ALA B O 1 ATOM 4151 C CB . ALA B 1 125 ? 9.237 -39.240 30.441 1.00 28.20 ? 142 ALA B CB 1 ATOM 4152 N N . GLN B 1 126 ? 6.479 -39.409 28.975 1.00 30.95 ? 143 GLN B N 1 ATOM 4153 C CA . GLN B 1 126 ? 5.450 -40.155 28.243 1.00 34.93 ? 143 GLN B CA 1 ATOM 4154 C C . GLN B 1 126 ? 5.034 -39.458 26.946 1.00 28.94 ? 143 GLN B C 1 ATOM 4155 O O . GLN B 1 126 ? 4.866 -40.108 25.907 1.00 37.05 ? 143 GLN B O 1 ATOM 4156 C CB . GLN B 1 126 ? 4.220 -40.394 29.146 1.00 37.65 ? 143 GLN B CB 1 ATOM 4157 C CG . GLN B 1 126 ? 4.522 -41.331 30.319 1.00 37.27 ? 143 GLN B CG 1 ATOM 4158 C CD . GLN B 1 126 ? 3.410 -41.408 31.358 1.00 44.73 ? 143 GLN B CD 1 ATOM 4159 O OE1 . GLN B 1 126 ? 3.323 -42.383 32.106 1.00 46.73 ? 143 GLN B OE1 1 ATOM 4160 N NE2 . GLN B 1 126 ? 2.569 -40.386 31.417 1.00 39.56 ? 143 GLN B NE2 1 ATOM 4161 N N . THR B 1 127 ? 4.892 -38.138 27.005 1.00 33.51 ? 144 THR B N 1 ATOM 4162 C CA . THR B 1 127 ? 4.595 -37.306 25.832 1.00 32.65 ? 144 THR B CA 1 ATOM 4163 C C . THR B 1 127 ? 5.662 -37.437 24.736 1.00 28.15 ? 144 THR B C 1 ATOM 4164 O O . THR B 1 127 ? 5.342 -37.688 23.562 1.00 33.38 ? 144 THR B O 1 ATOM 4165 C CB . THR B 1 127 ? 4.466 -35.826 26.241 1.00 34.20 ? 144 THR B CB 1 ATOM 4166 O OG1 . THR B 1 127 ? 3.416 -35.689 27.205 1.00 36.06 ? 144 THR B OG1 1 ATOM 4167 C CG2 . THR B 1 127 ? 4.169 -34.929 25.026 1.00 35.06 ? 144 THR B CG2 1 ATOM 4168 N N . PHE B 1 128 ? 6.924 -37.284 25.128 1.00 31.76 ? 145 PHE B N 1 ATOM 4169 C CA . PHE B 1 128 ? 8.041 -37.420 24.196 1.00 27.58 ? 145 PHE B CA 1 ATOM 4170 C C . PHE B 1 128 ? 8.070 -38.800 23.551 1.00 25.43 ? 145 PHE B C 1 ATOM 4171 O O . PHE B 1 128 ? 8.216 -38.908 22.330 1.00 33.17 ? 145 PHE B O 1 ATOM 4172 C CB . PHE B 1 128 ? 9.384 -37.109 24.885 1.00 31.36 ? 145 PHE B CB 1 ATOM 4173 C CG . PHE B 1 128 ? 9.488 -35.698 25.435 1.00 27.75 ? 145 PHE B CG 1 ATOM 4174 C CD1 . PHE B 1 128 ? 8.820 -34.625 24.817 1.00 30.04 ? 145 PHE B CD1 1 ATOM 4175 C CD2 . PHE B 1 128 ? 10.276 -35.434 26.546 1.00 31.43 ? 145 PHE B CD2 1 ATOM 4176 C CE1 . PHE B 1 128 ? 8.920 -33.337 25.328 1.00 29.17 ? 145 PHE B CE1 1 ATOM 4177 C CE2 . PHE B 1 128 ? 10.379 -34.150 27.061 1.00 32.47 ? 145 PHE B CE2 1 ATOM 4178 C CZ . PHE B 1 128 ? 9.704 -33.093 26.442 1.00 28.81 ? 145 PHE B CZ 1 ATOM 4179 N N . ALA B 1 129 ? 7.890 -39.858 24.358 1.00 30.54 ? 146 ALA B N 1 ATOM 4180 C CA . ALA B 1 129 ? 7.838 -41.215 23.810 1.00 32.01 ? 146 ALA B CA 1 ATOM 4181 C C . ALA B 1 129 ? 6.666 -41.354 22.838 1.00 29.12 ? 146 ALA B C 1 ATOM 4182 O O . ALA B 1 129 ? 6.802 -41.943 21.757 1.00 34.23 ? 146 ALA B O 1 ATOM 4183 C CB . ALA B 1 129 ? 7.739 -42.266 24.924 1.00 33.24 ? 146 ALA B CB 1 ATOM 4184 N N . GLU B 1 130 ? 5.516 -40.807 23.217 1.00 33.68 ? 147 GLU B N 1 ATOM 4185 C CA . GLU B 1 130 ? 4.322 -40.884 22.370 1.00 34.44 ? 147 GLU B CA 1 ATOM 4186 C C . GLU B 1 130 ? 4.507 -40.177 21.034 1.00 34.71 ? 147 GLU B C 1 ATOM 4187 O O . GLU B 1 130 ? 4.008 -40.637 20.009 1.00 35.64 ? 147 GLU B O 1 ATOM 4188 C CB . GLU B 1 130 ? 3.108 -40.328 23.112 1.00 39.87 ? 147 GLU B CB 1 ATOM 4189 C CG . GLU B 1 130 ? 2.487 -41.346 24.056 1.00 49.82 ? 147 GLU B CG 1 ATOM 4190 C CD . GLU B 1 130 ? 1.660 -40.719 25.167 1.00 59.55 ? 147 GLU B CD 1 ATOM 4191 O OE1 . GLU B 1 130 ? 1.369 -41.435 26.153 1.00 53.33 ? 147 GLU B OE1 1 ATOM 4192 O OE2 . GLU B 1 130 ? 1.302 -39.523 25.059 1.00 47.61 ? 147 GLU B OE2 1 ATOM 4193 N N . TRP B 1 131 ? 5.245 -39.073 21.059 1.00 35.11 ? 148 TRP B N 1 ATOM 4194 C CA . TRP B 1 131 ? 5.611 -38.340 19.849 1.00 36.23 ? 148 TRP B CA 1 ATOM 4195 C C . TRP B 1 131 ? 6.663 -39.041 18.976 1.00 33.31 ? 148 TRP B C 1 ATOM 4196 O O . TRP B 1 131 ? 6.891 -38.639 17.835 1.00 34.51 ? 148 TRP B O 1 ATOM 4197 C CB . TRP B 1 131 ? 6.125 -36.964 20.239 1.00 31.91 ? 148 TRP B CB 1 ATOM 4198 C CG . TRP B 1 131 ? 5.080 -36.041 20.800 1.00 35.71 ? 148 TRP B CG 1 ATOM 4199 C CD1 . TRP B 1 131 ? 3.716 -36.216 20.795 1.00 38.49 ? 148 TRP B CD1 1 ATOM 4200 C CD2 . TRP B 1 131 ? 5.313 -34.758 21.393 1.00 35.20 ? 148 TRP B CD2 1 ATOM 4201 N NE1 . TRP B 1 131 ? 3.097 -35.129 21.367 1.00 36.47 ? 148 TRP B NE1 1 ATOM 4202 C CE2 . TRP B 1 131 ? 4.053 -34.219 21.740 1.00 41.34 ? 148 TRP B CE2 1 ATOM 4203 C CE3 . TRP B 1 131 ? 6.467 -34.012 21.673 1.00 32.09 ? 148 TRP B CE3 1 ATOM 4204 C CZ2 . TRP B 1 131 ? 3.919 -32.968 22.353 1.00 35.62 ? 148 TRP B CZ2 1 ATOM 4205 C CZ3 . TRP B 1 131 ? 6.328 -32.771 22.283 1.00 32.03 ? 148 TRP B CZ3 1 ATOM 4206 C CH2 . TRP B 1 131 ? 5.067 -32.264 22.617 1.00 39.66 ? 148 TRP B CH2 1 ATOM 4207 N N . LYS B 1 132 ? 7.291 -40.079 19.530 1.00 32.07 ? 149 LYS B N 1 ATOM 4208 C CA . LYS B 1 132 ? 8.329 -40.884 18.865 1.00 31.31 ? 149 LYS B CA 1 ATOM 4209 C C . LYS B 1 132 ? 9.649 -40.101 18.754 1.00 34.25 ? 149 LYS B C 1 ATOM 4210 O O . LYS B 1 132 ? 10.415 -40.260 17.801 1.00 32.47 ? 149 LYS B O 1 ATOM 4211 C CB . LYS B 1 132 ? 7.876 -41.460 17.515 1.00 32.62 ? 149 LYS B CB 1 ATOM 4212 C CG . LYS B 1 132 ? 6.627 -42.384 17.599 1.00 38.28 ? 149 LYS B CG 1 ATOM 4213 C CD . LYS B 1 132 ? 6.225 -42.890 16.214 1.00 48.84 ? 149 LYS B CD 1 ATOM 4214 C CE . LYS B 1 132 ? 4.935 -43.723 16.251 1.00 55.78 ? 149 LYS B CE 1 ATOM 4215 N NZ . LYS B 1 132 ? 5.067 -44.956 17.084 1.00 54.95 ? 149 LYS B NZ 1 ATOM 4216 N N . VAL B 1 133 ? 9.906 -39.290 19.777 1.00 26.12 ? 150 VAL B N 1 ATOM 4217 C CA . VAL B 1 133 ? 11.197 -38.610 19.968 1.00 27.90 ? 150 VAL B CA 1 ATOM 4218 C C . VAL B 1 133 ? 12.288 -39.647 20.271 1.00 30.83 ? 150 VAL B C 1 ATOM 4219 O O . VAL B 1 133 ? 11.996 -40.712 20.818 1.00 27.92 ? 150 VAL B O 1 ATOM 4220 C CB . VAL B 1 133 ? 11.090 -37.577 21.134 1.00 32.65 ? 150 VAL B CB 1 ATOM 4221 C CG1 . VAL B 1 133 ? 12.443 -37.157 21.645 1.00 37.91 ? 150 VAL B CG1 1 ATOM 4222 C CG2 . VAL B 1 133 ? 10.268 -36.354 20.700 1.00 29.06 ? 150 VAL B CG2 1 ATOM 4223 N N . ASP B 1 134 ? 13.534 -39.329 19.911 1.00 24.66 ? 151 ASP B N 1 ATOM 4224 C CA . ASP B 1 134 ? 14.653 -40.283 20.023 1.00 27.36 ? 151 ASP B CA 1 ATOM 4225 C C . ASP B 1 134 ? 15.764 -39.846 20.961 1.00 23.22 ? 151 ASP B C 1 ATOM 4226 O O . ASP B 1 134 ? 16.625 -40.654 21.330 1.00 23.17 ? 151 ASP B O 1 ATOM 4227 C CB . ASP B 1 134 ? 15.243 -40.541 18.651 1.00 24.46 ? 151 ASP B CB 1 ATOM 4228 C CG . ASP B 1 134 ? 14.210 -41.043 17.672 1.00 31.30 ? 151 ASP B CG 1 ATOM 4229 O OD1 . ASP B 1 134 ? 13.673 -42.152 17.860 1.00 30.55 ? 151 ASP B OD1 1 ATOM 4230 O OD2 . ASP B 1 134 ? 13.932 -40.305 16.722 1.00 27.31 ? 151 ASP B OD2 1 ATOM 4231 N N . MET B 1 135 ? 15.759 -38.572 21.329 1.00 23.11 ? 152 MET B N 1 ATOM 4232 C CA . MET B 1 135 ? 16.757 -38.048 22.220 1.00 21.93 ? 152 MET B CA 1 ATOM 4233 C C . MET B 1 135 ? 16.143 -36.898 22.990 1.00 21.60 ? 152 MET B C 1 ATOM 4234 O O . MET B 1 135 ? 15.256 -36.197 22.483 1.00 22.35 ? 152 MET B O 1 ATOM 4235 C CB . MET B 1 135 ? 18.000 -37.593 21.434 1.00 20.19 ? 152 MET B CB 1 ATOM 4236 C CG . MET B 1 135 ? 19.108 -36.949 22.258 1.00 20.44 ? 152 MET B CG 1 ATOM 4237 S SD . MET B 1 135 ? 20.619 -36.924 21.258 1.00 22.58 ? 152 MET B SD 1 ATOM 4238 C CE . MET B 1 135 ? 21.623 -35.896 22.308 1.00 23.30 ? 152 MET B CE 1 ATOM 4239 N N . LEU B 1 136 ? 16.599 -36.734 24.228 1.00 21.90 ? 153 LEU B N 1 ATOM 4240 C CA . LEU B 1 136 ? 16.177 -35.641 25.094 1.00 19.93 ? 153 LEU B CA 1 ATOM 4241 C C . LEU B 1 136 ? 17.401 -34.987 25.733 1.00 22.18 ? 153 LEU B C 1 ATOM 4242 O O . LEU B 1 136 ? 18.223 -35.666 26.334 1.00 21.17 ? 153 LEU B O 1 ATOM 4243 C CB . LEU B 1 136 ? 15.238 -36.152 26.206 1.00 20.39 ? 153 LEU B CB 1 ATOM 4244 C CG . LEU B 1 136 ? 14.820 -35.112 27.254 1.00 22.19 ? 153 LEU B CG 1 ATOM 4245 C CD1 . LEU B 1 136 ? 14.013 -33.976 26.616 1.00 23.89 ? 153 LEU B CD1 1 ATOM 4246 C CD2 . LEU B 1 136 ? 14.020 -35.709 28.424 1.00 22.98 ? 153 LEU B CD2 1 ATOM 4247 N N . LYS B 1 137 ? 17.503 -33.666 25.590 1.00 21.66 ? 154 LYS B N 1 ATOM 4248 C CA . LYS B 1 137 ? 18.471 -32.865 26.336 1.00 18.24 ? 154 LYS B CA 1 ATOM 4249 C C . LYS B 1 137 ? 17.697 -32.213 27.448 1.00 21.54 ? 154 LYS B C 1 ATOM 4250 O O . LYS B 1 137 ? 16.722 -31.495 27.189 1.00 23.66 ? 154 LYS B O 1 ATOM 4251 C CB . LYS B 1 137 ? 19.107 -31.783 25.440 1.00 21.92 ? 154 LYS B CB 1 ATOM 4252 C CG . LYS B 1 137 ? 19.982 -30.730 26.172 1.00 20.07 ? 154 LYS B CG 1 ATOM 4253 C CD . LYS B 1 137 ? 20.596 -29.784 25.120 1.00 21.01 ? 154 LYS B CD 1 ATOM 4254 C CE . LYS B 1 137 ? 21.389 -28.646 25.716 1.00 20.41 ? 154 LYS B CE 1 ATOM 4255 N NZ . LYS B 1 137 ? 21.886 -27.740 24.594 1.00 19.27 ? 154 LYS B NZ 1 ATOM 4256 N N . LEU B 1 138 ? 18.123 -32.466 28.684 1.00 21.22 ? 155 LEU B N 1 ATOM 4257 C CA . LEU B 1 138 ? 17.464 -31.952 29.871 1.00 23.26 ? 155 LEU B CA 1 ATOM 4258 C C . LEU B 1 138 ? 18.362 -30.921 30.549 1.00 21.73 ? 155 LEU B C 1 ATOM 4259 O O . LEU B 1 138 ? 19.374 -31.232 31.202 1.00 22.79 ? 155 LEU B O 1 ATOM 4260 C CB . LEU B 1 138 ? 17.107 -33.101 30.834 1.00 23.30 ? 155 LEU B CB 1 ATOM 4261 C CG . LEU B 1 138 ? 16.234 -32.714 32.014 1.00 24.05 ? 155 LEU B CG 1 ATOM 4262 C CD1 . LEU B 1 138 ? 14.857 -32.212 31.539 1.00 25.22 ? 155 LEU B CD1 1 ATOM 4263 C CD2 . LEU B 1 138 ? 16.056 -33.896 33.019 1.00 23.04 ? 155 LEU B CD2 1 ATOM 4264 N N . ASP B 1 139 ? 17.988 -29.665 30.351 1.00 21.91 ? 156 ASP B N 1 ATOM 4265 C CA . ASP B 1 139 ? 18.730 -28.527 30.851 1.00 20.50 ? 156 ASP B CA 1 ATOM 4266 C C . ASP B 1 139 ? 18.413 -28.338 32.341 1.00 27.71 ? 156 ASP B C 1 ATOM 4267 O O . ASP B 1 139 ? 17.507 -29.001 32.876 1.00 26.02 ? 156 ASP B O 1 ATOM 4268 C CB . ASP B 1 139 ? 18.323 -27.296 30.009 1.00 19.91 ? 156 ASP B CB 1 ATOM 4269 C CG . ASP B 1 139 ? 19.421 -26.246 29.878 1.00 23.89 ? 156 ASP B CG 1 ATOM 4270 O OD1 . ASP B 1 139 ? 20.435 -26.283 30.599 1.00 22.97 ? 156 ASP B OD1 1 ATOM 4271 O OD2 . ASP B 1 139 ? 19.230 -25.350 29.016 1.00 23.14 ? 156 ASP B OD2 1 ATOM 4272 N N . GLY B 1 140 ? 19.153 -27.443 33.001 1.00 25.19 ? 157 GLY B N 1 ATOM 4273 C CA . GLY B 1 140 ? 19.115 -27.292 34.450 1.00 27.53 ? 157 GLY B CA 1 ATOM 4274 C C . GLY B 1 140 ? 18.844 -25.921 35.057 1.00 29.16 ? 157 GLY B C 1 ATOM 4275 O O . GLY B 1 140 ? 19.130 -25.713 36.233 1.00 30.35 ? 157 GLY B O 1 ATOM 4276 N N . CYS B 1 141 ? 18.300 -24.988 34.279 1.00 28.05 ? 158 CYS B N 1 ATOM 4277 C CA . CYS B 1 141 ? 17.980 -23.660 34.812 1.00 28.83 ? 158 CYS B CA 1 ATOM 4278 C C . CYS B 1 141 ? 16.773 -23.740 35.751 1.00 32.56 ? 158 CYS B C 1 ATOM 4279 O O . CYS B 1 141 ? 15.966 -24.667 35.656 1.00 30.83 ? 158 CYS B O 1 ATOM 4280 C CB . CYS B 1 141 ? 17.667 -22.673 33.682 1.00 29.54 ? 158 CYS B CB 1 ATOM 4281 S SG . CYS B 1 141 ? 19.117 -22.082 32.709 1.00 33.49 ? 158 CYS B SG 1 ATOM 4282 N N . PHE B 1 142 ? 16.674 -22.749 36.637 1.00 32.70 ? 159 PHE B N 1 ATOM 4283 C CA . PHE B 1 142 ? 15.496 -22.530 37.486 1.00 34.28 ? 159 PHE B CA 1 ATOM 4284 C C . PHE B 1 142 ? 15.170 -23.743 38.355 1.00 33.78 ? 159 PHE B C 1 ATOM 4285 O O . PHE B 1 142 ? 13.999 -24.120 38.556 1.00 35.75 ? 159 PHE B O 1 ATOM 4286 C CB . PHE B 1 142 ? 14.301 -22.074 36.638 1.00 33.55 ? 159 PHE B CB 1 ATOM 4287 C CG . PHE B 1 142 ? 14.521 -20.751 35.954 1.00 36.63 ? 159 PHE B CG 1 ATOM 4288 C CD1 . PHE B 1 142 ? 14.733 -20.683 34.577 1.00 30.60 ? 159 PHE B CD1 1 ATOM 4289 C CD2 . PHE B 1 142 ? 14.535 -19.573 36.688 1.00 44.42 ? 159 PHE B CD2 1 ATOM 4290 C CE1 . PHE B 1 142 ? 14.948 -19.465 33.946 1.00 39.41 ? 159 PHE B CE1 1 ATOM 4291 C CE2 . PHE B 1 142 ? 14.740 -18.347 36.065 1.00 49.27 ? 159 PHE B CE2 1 ATOM 4292 C CZ . PHE B 1 142 ? 14.951 -18.295 34.695 1.00 40.63 ? 159 PHE B CZ 1 ATOM 4293 N N . SER B 1 143 ? 16.238 -24.347 38.871 1.00 35.57 ? 160 SER B N 1 ATOM 4294 C CA . SER B 1 143 ? 16.141 -25.473 39.789 1.00 37.92 ? 160 SER B CA 1 ATOM 4295 C C . SER B 1 143 ? 17.150 -25.286 40.905 1.00 31.71 ? 160 SER B C 1 ATOM 4296 O O . SER B 1 143 ? 18.071 -24.478 40.797 1.00 39.72 ? 160 SER B O 1 ATOM 4297 C CB . SER B 1 143 ? 16.430 -26.779 39.064 1.00 38.58 ? 160 SER B CB 1 ATOM 4298 O OG . SER B 1 143 ? 17.726 -26.752 38.485 1.00 34.57 ? 160 SER B OG 1 ATOM 4299 N N . THR B 1 144 ? 16.957 -26.034 41.980 1.00 37.32 ? 161 THR B N 1 ATOM 4300 C CA . THR B 1 144 ? 17.899 -26.084 43.082 1.00 35.10 ? 161 THR B CA 1 ATOM 4301 C C . THR B 1 144 ? 18.746 -27.355 42.948 1.00 38.33 ? 161 THR B C 1 ATOM 4302 O O . THR B 1 144 ? 18.378 -28.275 42.210 1.00 36.22 ? 161 THR B O 1 ATOM 4303 C CB . THR B 1 144 ? 17.159 -26.150 44.418 1.00 44.75 ? 161 THR B CB 1 ATOM 4304 O OG1 . THR B 1 144 ? 16.474 -27.403 44.517 1.00 40.44 ? 161 THR B OG1 1 ATOM 4305 C CG2 . THR B 1 144 ? 16.151 -24.997 44.537 1.00 43.61 ? 161 THR B CG2 1 ATOM 4306 N N . PRO B 1 145 ? 19.870 -27.426 43.676 1.00 36.85 ? 162 PRO B N 1 ATOM 4307 C CA . PRO B 1 145 ? 20.668 -28.657 43.655 1.00 40.48 ? 162 PRO B CA 1 ATOM 4308 C C . PRO B 1 145 ? 19.858 -29.906 44.032 1.00 39.45 ? 162 PRO B C 1 ATOM 4309 O O . PRO B 1 145 ? 20.015 -30.950 43.405 1.00 32.62 ? 162 PRO B O 1 ATOM 4310 C CB . PRO B 1 145 ? 21.761 -28.390 44.696 1.00 41.71 ? 162 PRO B CB 1 ATOM 4311 C CG . PRO B 1 145 ? 21.885 -26.894 44.738 1.00 48.38 ? 162 PRO B CG 1 ATOM 4312 C CD . PRO B 1 145 ? 20.509 -26.361 44.475 1.00 47.16 ? 162 PRO B CD 1 ATOM 4313 N N . GLU B 1 146 ? 19.002 -29.800 45.043 1.00 36.86 ? 163 GLU B N 1 ATOM 4314 C CA . GLU B 1 146 ? 18.166 -30.939 45.444 1.00 34.69 ? 163 GLU B CA 1 ATOM 4315 C C . GLU B 1 146 ? 17.195 -31.392 44.355 1.00 33.61 ? 163 GLU B C 1 ATOM 4316 O O . GLU B 1 146 ? 17.015 -32.596 44.153 1.00 34.26 ? 163 GLU B O 1 ATOM 4317 C CB . GLU B 1 146 ? 17.390 -30.649 46.742 1.00 44.99 ? 163 GLU B CB 1 ATOM 4318 C CG . GLU B 1 146 ? 17.919 -31.389 47.966 1.00 69.84 ? 163 GLU B CG 1 ATOM 4319 C CD . GLU B 1 146 ? 17.629 -32.892 47.928 1.00 76.85 ? 163 GLU B CD 1 ATOM 4320 O OE1 . GLU B 1 146 ? 18.431 -33.646 47.334 1.00 62.00 ? 163 GLU B OE1 1 ATOM 4321 O OE2 . GLU B 1 146 ? 16.606 -33.322 48.509 1.00 87.41 ? 163 GLU B OE2 1 ATOM 4322 N N . GLU B 1 147 ? 16.589 -30.437 43.653 1.00 32.09 ? 164 GLU B N 1 ATOM 4323 C CA . GLU B 1 147 ? 15.655 -30.747 42.553 1.00 33.41 ? 164 GLU B CA 1 ATOM 4324 C C . GLU B 1 147 ? 16.347 -31.487 41.422 1.00 33.58 ? 164 GLU B C 1 ATOM 4325 O O . GLU B 1 147 ? 15.777 -32.417 40.839 1.00 31.90 ? 164 GLU B O 1 ATOM 4326 C CB . GLU B 1 147 ? 14.992 -29.477 42.009 1.00 30.83 ? 164 GLU B CB 1 ATOM 4327 C CG . GLU B 1 147 ? 13.945 -28.919 42.976 1.00 47.86 ? 164 GLU B CG 1 ATOM 4328 C CD . GLU B 1 147 ? 13.407 -27.549 42.587 1.00 61.98 ? 164 GLU B CD 1 ATOM 4329 O OE1 . GLU B 1 147 ? 13.721 -27.052 41.474 1.00 50.49 ? 164 GLU B OE1 1 ATOM 4330 O OE2 . GLU B 1 147 ? 12.656 -26.974 43.412 1.00 58.70 ? 164 GLU B OE2 1 ATOM 4331 N N . ARG B 1 148 ? 17.566 -31.055 41.107 1.00 32.01 ? 165 ARG B N 1 ATOM 4332 C CA . ARG B 1 148 ? 18.381 -31.742 40.101 1.00 27.58 ? 165 ARG B CA 1 ATOM 4333 C C . ARG B 1 148 ? 18.783 -33.147 40.565 1.00 28.84 ? 165 ARG B C 1 ATOM 4334 O O . ARG B 1 148 ? 18.704 -34.091 39.786 1.00 28.53 ? 165 ARG B O 1 ATOM 4335 C CB . ARG B 1 148 ? 19.612 -30.907 39.731 1.00 28.98 ? 165 ARG B CB 1 ATOM 4336 C CG . ARG B 1 148 ? 19.264 -29.573 39.087 1.00 28.83 ? 165 ARG B CG 1 ATOM 4337 C CD . ARG B 1 148 ? 20.483 -28.852 38.522 1.00 29.75 ? 165 ARG B CD 1 ATOM 4338 N NE . ARG B 1 148 ? 21.381 -28.357 39.567 1.00 30.87 ? 165 ARG B NE 1 ATOM 4339 C CZ . ARG B 1 148 ? 21.312 -27.151 40.138 1.00 32.23 ? 165 ARG B CZ 1 ATOM 4340 N NH1 . ARG B 1 148 ? 20.367 -26.280 39.793 1.00 41.32 ? 165 ARG B NH1 1 ATOM 4341 N NH2 . ARG B 1 148 ? 22.192 -26.818 41.076 1.00 36.19 ? 165 ARG B NH2 1 ATOM 4342 N N . ALA B 1 149 ? 19.163 -33.288 41.836 1.00 30.44 ? 166 ALA B N 1 ATOM 4343 C CA . ALA B 1 149 ? 19.556 -34.598 42.386 1.00 31.45 ? 166 ALA B CA 1 ATOM 4344 C C . ALA B 1 149 ? 18.405 -35.605 42.337 1.00 32.02 ? 166 ALA B C 1 ATOM 4345 O O . ALA B 1 149 ? 18.624 -36.792 42.115 1.00 32.85 ? 166 ALA B O 1 ATOM 4346 C CB . ALA B 1 149 ? 20.081 -34.454 43.808 1.00 35.41 ? 166 ALA B CB 1 ATOM 4347 N N . GLN B 1 150 ? 17.183 -35.121 42.545 1.00 33.63 ? 167 GLN B N 1 ATOM 4348 C CA . GLN B 1 150 ? 15.974 -35.934 42.402 1.00 33.68 ? 167 GLN B CA 1 ATOM 4349 C C . GLN B 1 150 ? 15.543 -36.115 40.947 1.00 32.39 ? 167 GLN B C 1 ATOM 4350 O O . GLN B 1 150 ? 15.141 -37.201 40.537 1.00 30.84 ? 167 GLN B O 1 ATOM 4351 C CB . GLN B 1 150 ? 14.812 -35.275 43.165 1.00 37.91 ? 167 GLN B CB 1 ATOM 4352 C CG . GLN B 1 150 ? 15.044 -35.137 44.667 1.00 40.63 ? 167 GLN B CG 1 ATOM 4353 C CD . GLN B 1 150 ? 13.954 -34.317 45.362 1.00 44.73 ? 167 GLN B CD 1 ATOM 4354 O OE1 . GLN B 1 150 ? 13.856 -33.103 45.180 1.00 58.73 ? 167 GLN B OE1 1 ATOM 4355 N NE2 . GLN B 1 150 ? 13.146 -34.981 46.166 1.00 50.16 ? 167 GLN B NE2 1 ATOM 4356 N N . GLY B 1 151 ? 15.633 -35.034 40.177 1.00 27.22 ? 168 GLY B N 1 ATOM 4357 C CA . GLY B 1 151 ? 15.001 -34.948 38.874 1.00 28.55 ? 168 GLY B CA 1 ATOM 4358 C C . GLY B 1 151 ? 15.709 -35.674 37.757 1.00 25.38 ? 168 GLY B C 1 ATOM 4359 O O . GLY B 1 151 ? 15.063 -36.292 36.912 1.00 27.37 ? 168 GLY B O 1 ATOM 4360 N N . TYR B 1 152 ? 17.034 -35.578 37.717 1.00 25.88 ? 169 TYR B N 1 ATOM 4361 C CA . TYR B 1 152 ? 17.769 -36.275 36.661 1.00 25.79 ? 169 TYR B CA 1 ATOM 4362 C C . TYR B 1 152 ? 17.562 -37.790 36.760 1.00 23.69 ? 169 TYR B C 1 ATOM 4363 O O . TYR B 1 152 ? 17.213 -38.427 35.756 1.00 25.89 ? 169 TYR B O 1 ATOM 4364 C CB . TYR B 1 152 ? 19.250 -35.855 36.598 1.00 22.78 ? 169 TYR B CB 1 ATOM 4365 C CG . TYR B 1 152 ? 19.408 -34.519 35.876 1.00 25.02 ? 169 TYR B CG 1 ATOM 4366 C CD1 . TYR B 1 152 ? 19.502 -34.463 34.483 1.00 24.08 ? 169 TYR B CD1 1 ATOM 4367 C CD2 . TYR B 1 152 ? 19.423 -33.322 36.587 1.00 25.71 ? 169 TYR B CD2 1 ATOM 4368 C CE1 . TYR B 1 152 ? 19.634 -33.246 33.817 1.00 23.02 ? 169 TYR B CE1 1 ATOM 4369 C CE2 . TYR B 1 152 ? 19.553 -32.102 35.936 1.00 23.63 ? 169 TYR B CE2 1 ATOM 4370 C CZ . TYR B 1 152 ? 19.649 -32.074 34.551 1.00 23.74 ? 169 TYR B CZ 1 ATOM 4371 O OH . TYR B 1 152 ? 19.775 -30.863 33.927 1.00 23.83 ? 169 TYR B OH 1 ATOM 4372 N N . PRO B 1 153 ? 17.726 -38.377 37.970 1.00 25.50 ? 170 PRO B N 1 ATOM 4373 C CA . PRO B 1 153 ? 17.362 -39.782 38.065 1.00 24.61 ? 170 PRO B CA 1 ATOM 4374 C C . PRO B 1 153 ? 15.884 -40.061 37.795 1.00 28.13 ? 170 PRO B C 1 ATOM 4375 O O . PRO B 1 153 ? 15.562 -41.079 37.197 1.00 26.51 ? 170 PRO B O 1 ATOM 4376 C CB . PRO B 1 153 ? 17.757 -40.164 39.503 1.00 26.25 ? 170 PRO B CB 1 ATOM 4377 C CG . PRO B 1 153 ? 18.842 -39.193 39.866 1.00 30.29 ? 170 PRO B CG 1 ATOM 4378 C CD . PRO B 1 153 ? 18.419 -37.905 39.178 1.00 23.92 ? 170 PRO B CD 1 ATOM 4379 N N . LYS B 1 154 ? 14.989 -39.177 38.236 1.00 27.36 ? 171 LYS B N 1 ATOM 4380 C CA . LYS B 1 154 ? 13.559 -39.377 38.001 1.00 29.71 ? 171 LYS B CA 1 ATOM 4381 C C . LYS B 1 154 ? 13.259 -39.428 36.505 1.00 25.10 ? 171 LYS B C 1 ATOM 4382 O O . LYS B 1 154 ? 12.476 -40.264 36.055 1.00 26.79 ? 171 LYS B O 1 ATOM 4383 C CB . LYS B 1 154 ? 12.735 -38.267 38.660 1.00 30.75 ? 171 LYS B CB 1 ATOM 4384 C CG . LYS B 1 154 ? 11.242 -38.547 38.705 1.00 34.22 ? 171 LYS B CG 1 ATOM 4385 C CD . LYS B 1 154 ? 10.524 -37.465 39.510 1.00 32.92 ? 171 LYS B CD 1 ATOM 4386 C CE . LYS B 1 154 ? 9.060 -37.806 39.726 1.00 45.89 ? 171 LYS B CE 1 ATOM 4387 N NZ . LYS B 1 154 ? 8.369 -36.742 40.511 1.00 45.93 ? 171 LYS B NZ 1 ATOM 4388 N N . MET B 1 155 ? 13.892 -38.547 35.734 1.00 26.34 ? 172 MET B N 1 ATOM 4389 C CA . MET B 1 155 ? 13.667 -38.537 34.289 1.00 24.65 ? 172 MET B CA 1 ATOM 4390 C C . MET B 1 155 ? 14.239 -39.790 33.636 1.00 23.20 ? 172 MET B C 1 ATOM 4391 O O . MET B 1 155 ? 13.625 -40.345 32.726 1.00 25.39 ? 172 MET B O 1 ATOM 4392 C CB . MET B 1 155 ? 14.262 -37.280 33.635 1.00 25.95 ? 172 MET B CB 1 ATOM 4393 C CG . MET B 1 155 ? 14.061 -37.227 32.127 1.00 25.34 ? 172 MET B CG 1 ATOM 4394 S SD . MET B 1 155 ? 12.340 -37.218 31.573 1.00 27.24 ? 172 MET B SD 1 ATOM 4395 C CE . MET B 1 155 ? 11.825 -35.534 31.921 1.00 25.98 ? 172 MET B CE 1 ATOM 4396 N N . ALA B 1 156 ? 15.427 -40.218 34.057 1.00 23.53 ? 173 ALA B N 1 ATOM 4397 C CA . ALA B 1 156 ? 15.998 -41.449 33.500 1.00 24.65 ? 173 ALA B CA 1 ATOM 4398 C C . ALA B 1 156 ? 15.069 -42.635 33.747 1.00 22.03 ? 173 ALA B C 1 ATOM 4399 O O . ALA B 1 156 ? 14.856 -43.443 32.854 1.00 26.36 ? 173 ALA B O 1 ATOM 4400 C CB . ALA B 1 156 ? 17.404 -41.732 34.060 1.00 24.44 ? 173 ALA B CB 1 ATOM 4401 N N . ALA B 1 157 ? 14.542 -42.731 34.965 1.00 24.66 ? 174 ALA B N 1 ATOM 4402 C CA . ALA B 1 157 ? 13.562 -43.761 35.310 1.00 26.20 ? 174 ALA B CA 1 ATOM 4403 C C . ALA B 1 157 ? 12.298 -43.622 34.461 1.00 27.13 ? 174 ALA B C 1 ATOM 4404 O O . ALA B 1 157 ? 11.778 -44.621 33.956 1.00 30.03 ? 174 ALA B O 1 ATOM 4405 C CB . ALA B 1 157 ? 13.216 -43.700 36.805 1.00 27.27 ? 174 ALA B CB 1 ATOM 4406 N N . ALA B 1 158 ? 11.815 -42.388 34.299 1.00 27.04 ? 175 ALA B N 1 ATOM 4407 C CA . ALA B 1 158 ? 10.577 -42.152 33.535 1.00 29.39 ? 175 ALA B CA 1 ATOM 4408 C C . ALA B 1 158 ? 10.742 -42.519 32.057 1.00 28.66 ? 175 ALA B C 1 ATOM 4409 O O . ALA B 1 158 ? 9.880 -43.161 31.465 1.00 29.93 ? 175 ALA B O 1 ATOM 4410 C CB . ALA B 1 158 ? 10.112 -40.710 33.690 1.00 28.86 ? 175 ALA B CB 1 ATOM 4411 N N . LEU B 1 159 ? 11.867 -42.124 31.465 1.00 27.29 ? 176 LEU B N 1 ATOM 4412 C CA . LEU B 1 159 ? 12.154 -42.490 30.076 1.00 26.38 ? 176 LEU B CA 1 ATOM 4413 C C . LEU B 1 159 ? 12.189 -44.006 29.899 1.00 25.82 ? 176 LEU B C 1 ATOM 4414 O O . LEU B 1 159 ? 11.610 -44.563 28.953 1.00 27.73 ? 176 LEU B O 1 ATOM 4415 C CB . LEU B 1 159 ? 13.484 -41.881 29.626 1.00 26.97 ? 176 LEU B CB 1 ATOM 4416 C CG . LEU B 1 159 ? 13.527 -40.354 29.504 1.00 29.35 ? 176 LEU B CG 1 ATOM 4417 C CD1 . LEU B 1 159 ? 14.981 -39.888 29.305 1.00 23.05 ? 176 LEU B CD1 1 ATOM 4418 C CD2 . LEU B 1 159 ? 12.608 -39.822 28.378 1.00 27.07 ? 176 LEU B CD2 1 ATOM 4419 N N . ASN B 1 160 ? 12.874 -44.678 30.818 1.00 28.54 ? 177 ASN B N 1 ATOM 4420 C CA . ASN B 1 160 ? 12.970 -46.118 30.773 1.00 27.67 ? 177 ASN B CA 1 ATOM 4421 C C . ASN B 1 160 ? 11.587 -46.763 30.783 1.00 25.81 ? 177 ASN B C 1 ATOM 4422 O O . ASN B 1 160 ? 11.310 -47.699 30.011 1.00 29.00 ? 177 ASN B O 1 ATOM 4423 C CB . ASN B 1 160 ? 13.803 -46.632 31.947 1.00 26.81 ? 177 ASN B CB 1 ATOM 4424 C CG . ASN B 1 160 ? 14.045 -48.098 31.852 1.00 29.37 ? 177 ASN B CG 1 ATOM 4425 O OD1 . ASN B 1 160 ? 13.227 -48.913 32.282 1.00 28.43 ? 177 ASN B OD1 1 ATOM 4426 N ND2 . ASN B 1 160 ? 15.171 -48.453 31.247 1.00 29.81 ? 177 ASN B ND2 1 ATOM 4427 N N . ALA B 1 161 ? 10.735 -46.265 31.678 1.00 28.73 ? 178 ALA B N 1 ATOM 4428 C CA . ALA B 1 161 ? 9.398 -46.829 31.889 1.00 31.36 ? 178 ALA B CA 1 ATOM 4429 C C . ALA B 1 161 ? 8.469 -46.682 30.681 1.00 29.23 ? 178 ALA B C 1 ATOM 4430 O O . ALA B 1 161 ? 7.492 -47.420 30.579 1.00 33.37 ? 178 ALA B O 1 ATOM 4431 C CB . ALA B 1 161 ? 8.742 -46.228 33.145 1.00 30.53 ? 178 ALA B CB 1 ATOM 4432 N N . THR B 1 162 ? 8.772 -45.754 29.765 1.00 31.90 ? 179 THR B N 1 ATOM 4433 C CA . THR B 1 162 ? 7.972 -45.602 28.536 1.00 28.88 ? 179 THR B CA 1 ATOM 4434 C C . THR B 1 162 ? 8.166 -46.764 27.572 1.00 35.91 ? 179 THR B C 1 ATOM 4435 O O . THR B 1 162 ? 7.329 -46.993 26.699 1.00 35.66 ? 179 THR B O 1 ATOM 4436 C CB . THR B 1 162 ? 8.313 -44.299 27.746 1.00 32.00 ? 179 THR B CB 1 ATOM 4437 O OG1 . THR B 1 162 ? 9.603 -44.434 27.132 1.00 28.88 ? 179 THR B OG1 1 ATOM 4438 C CG2 . THR B 1 162 ? 8.259 -43.075 28.640 1.00 29.27 ? 179 THR B CG2 1 ATOM 4439 N N . GLY B 1 163 ? 9.290 -47.473 27.709 1.00 30.06 ? 180 GLY B N 1 ATOM 4440 C CA . GLY B 1 163 ? 9.634 -48.563 26.813 1.00 28.80 ? 180 GLY B CA 1 ATOM 4441 C C . GLY B 1 163 ? 10.293 -48.145 25.514 1.00 28.15 ? 180 GLY B C 1 ATOM 4442 O O . GLY B 1 163 ? 10.770 -49.002 24.776 1.00 37.07 ? 180 GLY B O 1 ATOM 4443 N N . ARG B 1 164 ? 10.313 -46.848 25.218 1.00 30.79 ? 181 ARG B N 1 ATOM 4444 C CA . ARG B 1 164 ? 10.965 -46.348 24.006 1.00 31.91 ? 181 ARG B CA 1 ATOM 4445 C C . ARG B 1 164 ? 12.403 -45.933 24.319 1.00 25.85 ? 181 ARG B C 1 ATOM 4446 O O . ARG B 1 164 ? 12.606 -45.125 25.213 1.00 26.29 ? 181 ARG B O 1 ATOM 4447 C CB . ARG B 1 164 ? 10.223 -45.135 23.439 1.00 30.98 ? 181 ARG B CB 1 ATOM 4448 C CG . ARG B 1 164 ? 10.843 -44.633 22.150 1.00 34.17 ? 181 ARG B CG 1 ATOM 4449 C CD . ARG B 1 164 ? 10.116 -43.455 21.556 1.00 30.46 ? 181 ARG B CD 1 ATOM 4450 N NE . ARG B 1 164 ? 10.708 -43.112 20.258 1.00 28.44 ? 181 ARG B NE 1 ATOM 4451 C CZ . ARG B 1 164 ? 10.421 -43.730 19.111 1.00 31.47 ? 181 ARG B CZ 1 ATOM 4452 N NH1 . ARG B 1 164 ? 9.511 -44.705 19.067 1.00 31.79 ? 181 ARG B NH1 1 ATOM 4453 N NH2 . ARG B 1 164 ? 11.027 -43.364 17.992 1.00 31.54 ? 181 ARG B NH2 1 ATOM 4454 N N . PRO B 1 165 ? 13.392 -46.478 23.577 1.00 27.16 ? 182 PRO B N 1 ATOM 4455 C CA . PRO B 1 165 ? 14.771 -46.001 23.740 1.00 24.90 ? 182 PRO B CA 1 ATOM 4456 C C . PRO B 1 165 ? 14.905 -44.530 23.365 1.00 27.27 ? 182 PRO B C 1 ATOM 4457 O O . PRO B 1 165 ? 14.640 -44.151 22.223 1.00 25.78 ? 182 PRO B O 1 ATOM 4458 C CB . PRO B 1 165 ? 15.572 -46.898 22.787 1.00 29.56 ? 182 PRO B CB 1 ATOM 4459 C CG . PRO B 1 165 ? 14.700 -48.095 22.547 1.00 32.08 ? 182 PRO B CG 1 ATOM 4460 C CD . PRO B 1 165 ? 13.311 -47.585 22.607 1.00 31.47 ? 182 PRO B CD 1 ATOM 4461 N N . ILE B 1 166 ? 15.246 -43.707 24.350 1.00 25.70 ? 183 ILE B N 1 ATOM 4462 C CA . ILE B 1 166 ? 15.457 -42.271 24.159 1.00 24.17 ? 183 ILE B CA 1 ATOM 4463 C C . ILE B 1 166 ? 16.834 -41.897 24.702 1.00 22.73 ? 183 ILE B C 1 ATOM 4464 O O . ILE B 1 166 ? 17.110 -42.075 25.900 1.00 23.99 ? 183 ILE B O 1 ATOM 4465 C CB . ILE B 1 166 ? 14.337 -41.461 24.865 1.00 26.87 ? 183 ILE B CB 1 ATOM 4466 C CG1 . ILE B 1 166 ? 12.990 -41.738 24.190 1.00 28.40 ? 183 ILE B CG1 1 ATOM 4467 C CG2 . ILE B 1 166 ? 14.641 -39.957 24.855 1.00 27.28 ? 183 ILE B CG2 1 ATOM 4468 C CD1 . ILE B 1 166 ? 11.780 -41.202 24.959 1.00 31.33 ? 183 ILE B CD1 1 ATOM 4469 N N . ALA B 1 167 ? 17.716 -41.405 23.827 1.00 21.88 ? 184 ALA B N 1 ATOM 4470 C CA . ALA B 1 167 ? 19.054 -41.034 24.244 1.00 20.08 ? 184 ALA B CA 1 ATOM 4471 C C . ALA B 1 167 ? 18.915 -39.873 25.207 1.00 20.76 ? 184 ALA B C 1 ATOM 4472 O O . ALA B 1 167 ? 18.140 -38.953 24.986 1.00 23.95 ? 184 ALA B O 1 ATOM 4473 C CB . ALA B 1 167 ? 19.935 -40.658 23.045 1.00 21.60 ? 184 ALA B CB 1 ATOM 4474 N N . PHE B 1 168 ? 19.643 -39.925 26.312 1.00 20.38 ? 185 PHE B N 1 ATOM 4475 C CA . PHE B 1 168 ? 19.443 -38.961 27.379 1.00 19.13 ? 185 PHE B CA 1 ATOM 4476 C C . PHE B 1 168 ? 20.714 -38.134 27.610 1.00 19.67 ? 185 PHE B C 1 ATOM 4477 O O . PHE B 1 168 ? 21.765 -38.662 27.995 1.00 19.43 ? 185 PHE B O 1 ATOM 4478 C CB . PHE B 1 168 ? 19.002 -39.708 28.652 1.00 21.63 ? 185 PHE B CB 1 ATOM 4479 C CG . PHE B 1 168 ? 18.557 -38.812 29.790 1.00 20.63 ? 185 PHE B CG 1 ATOM 4480 C CD1 . PHE B 1 168 ? 17.957 -37.567 29.559 1.00 24.03 ? 185 PHE B CD1 1 ATOM 4481 C CD2 . PHE B 1 168 ? 18.699 -39.235 31.102 1.00 21.02 ? 185 PHE B CD2 1 ATOM 4482 C CE1 . PHE B 1 168 ? 17.542 -36.766 30.620 1.00 22.58 ? 185 PHE B CE1 1 ATOM 4483 C CE2 . PHE B 1 168 ? 18.270 -38.437 32.167 1.00 23.36 ? 185 PHE B CE2 1 ATOM 4484 C CZ . PHE B 1 168 ? 17.705 -37.194 31.922 1.00 26.83 ? 185 PHE B CZ 1 ATOM 4485 N N . SER B 1 169 ? 20.605 -36.843 27.299 1.00 20.32 ? 186 SER B N 1 ATOM 4486 C CA . SER B 1 169 ? 21.675 -35.870 27.427 1.00 17.96 ? 186 SER B CA 1 ATOM 4487 C C . SER B 1 169 ? 21.384 -35.006 28.645 1.00 19.34 ? 186 SER B C 1 ATOM 4488 O O . SER B 1 169 ? 20.370 -34.284 28.687 1.00 20.24 ? 186 SER B O 1 ATOM 4489 C CB . SER B 1 169 ? 21.764 -35.007 26.154 1.00 22.92 ? 186 SER B CB 1 ATOM 4490 O OG . SER B 1 169 ? 22.554 -33.827 26.340 1.00 20.02 ? 186 SER B OG 1 ATOM 4491 N N . CYS B 1 170 ? 22.258 -35.089 29.640 1.00 20.62 ? 187 CYS B N 1 ATOM 4492 C CA . CYS B 1 170 ? 22.036 -34.487 30.952 1.00 24.08 ? 187 CYS B CA 1 ATOM 4493 C C . CYS B 1 170 ? 22.936 -33.298 31.216 1.00 22.32 ? 187 CYS B C 1 ATOM 4494 O O . CYS B 1 170 ? 24.152 -33.443 31.293 1.00 23.80 ? 187 CYS B O 1 ATOM 4495 C CB . CYS B 1 170 ? 22.343 -35.510 32.041 1.00 23.20 ? 187 CYS B CB 1 ATOM 4496 S SG . CYS B 1 170 ? 21.301 -36.931 31.951 1.00 24.64 ? 187 CYS B SG 1 ATOM 4497 N N . SER B 1 171 ? 22.352 -32.134 31.460 1.00 22.62 ? 188 SER B N 1 ATOM 4498 C CA . SER B 1 171 ? 23.163 -30.974 31.785 1.00 19.78 ? 188 SER B CA 1 ATOM 4499 C C . SER B 1 171 ? 23.534 -30.852 33.243 1.00 22.27 ? 188 SER B C 1 ATOM 4500 O O . SER B 1 171 ? 24.256 -29.940 33.612 1.00 20.97 ? 188 SER B O 1 ATOM 4501 C CB . SER B 1 171 ? 22.469 -29.710 31.310 1.00 22.66 ? 188 SER B CB 1 ATOM 4502 O OG . SER B 1 171 ? 22.236 -29.789 29.916 1.00 24.88 ? 188 SER B OG 1 ATOM 4503 N N . TRP B 1 172 ? 23.082 -31.795 34.063 1.00 20.72 ? 189 TRP B N 1 ATOM 4504 C CA . TRP B 1 172 ? 23.273 -31.738 35.498 1.00 22.61 ? 189 TRP B CA 1 ATOM 4505 C C . TRP B 1 172 ? 24.670 -31.291 35.940 1.00 21.35 ? 189 TRP B C 1 ATOM 4506 O O . TRP B 1 172 ? 24.779 -30.354 36.709 1.00 25.31 ? 189 TRP B O 1 ATOM 4507 C CB . TRP B 1 172 ? 22.901 -33.099 36.092 1.00 24.79 ? 189 TRP B CB 1 ATOM 4508 C CG . TRP B 1 172 ? 22.897 -33.211 37.572 1.00 21.53 ? 189 TRP B CG 1 ATOM 4509 C CD1 . TRP B 1 172 ? 23.021 -32.206 38.502 1.00 23.73 ? 189 TRP B CD1 1 ATOM 4510 C CD2 . TRP B 1 172 ? 22.704 -34.418 38.313 1.00 22.95 ? 189 TRP B CD2 1 ATOM 4511 N NE1 . TRP B 1 172 ? 22.959 -32.731 39.772 1.00 27.14 ? 189 TRP B NE1 1 ATOM 4512 C CE2 . TRP B 1 172 ? 22.747 -34.082 39.683 1.00 27.36 ? 189 TRP B CE2 1 ATOM 4513 C CE3 . TRP B 1 172 ? 22.508 -35.753 37.948 1.00 24.65 ? 189 TRP B CE3 1 ATOM 4514 C CZ2 . TRP B 1 172 ? 22.623 -35.037 40.684 1.00 28.61 ? 189 TRP B CZ2 1 ATOM 4515 C CZ3 . TRP B 1 172 ? 22.375 -36.707 38.954 1.00 26.66 ? 189 TRP B CZ3 1 ATOM 4516 C CH2 . TRP B 1 172 ? 22.428 -36.340 40.299 1.00 28.17 ? 189 TRP B CH2 1 ATOM 4517 N N . PRO B 1 173 ? 25.747 -31.932 35.443 1.00 21.09 ? 190 PRO B N 1 ATOM 4518 C CA . PRO B 1 173 ? 27.069 -31.543 35.998 1.00 19.88 ? 190 PRO B CA 1 ATOM 4519 C C . PRO B 1 173 ? 27.498 -30.107 35.693 1.00 20.03 ? 190 PRO B C 1 ATOM 4520 O O . PRO B 1 173 ? 28.180 -29.494 36.498 1.00 24.37 ? 190 PRO B O 1 ATOM 4521 C CB . PRO B 1 173 ? 28.037 -32.561 35.381 1.00 23.38 ? 190 PRO B CB 1 ATOM 4522 C CG . PRO B 1 173 ? 27.303 -33.158 34.220 1.00 21.09 ? 190 PRO B CG 1 ATOM 4523 C CD . PRO B 1 173 ? 25.841 -33.102 34.548 1.00 19.93 ? 190 PRO B CD 1 ATOM 4524 N N . ALA B 1 174 ? 27.069 -29.570 34.550 1.00 22.52 ? 191 ALA B N 1 ATOM 4525 C CA . ALA B 1 174 ? 27.401 -28.188 34.193 1.00 20.63 ? 191 ALA B CA 1 ATOM 4526 C C . ALA B 1 174 ? 26.849 -27.195 35.216 1.00 25.47 ? 191 ALA B C 1 ATOM 4527 O O . ALA B 1 174 ? 27.428 -26.132 35.419 1.00 32.21 ? 191 ALA B O 1 ATOM 4528 C CB . ALA B 1 174 ? 26.863 -27.858 32.807 1.00 21.97 ? 191 ALA B CB 1 ATOM 4529 N N . TYR B 1 175 ? 25.731 -27.541 35.842 1.00 22.89 ? 192 TYR B N 1 ATOM 4530 C CA . TYR B 1 175 ? 25.115 -26.684 36.882 1.00 25.35 ? 192 TYR B CA 1 ATOM 4531 C C . TYR B 1 175 ? 25.681 -26.915 38.289 1.00 32.56 ? 192 TYR B C 1 ATOM 4532 O O . TYR B 1 175 ? 25.287 -26.224 39.234 1.00 34.32 ? 192 TYR B O 1 ATOM 4533 C CB . TYR B 1 175 ? 23.575 -26.830 36.860 1.00 28.88 ? 192 TYR B CB 1 ATOM 4534 C CG . TYR B 1 175 ? 22.976 -26.199 35.627 1.00 27.04 ? 192 TYR B CG 1 ATOM 4535 C CD1 . TYR B 1 175 ? 22.536 -24.872 35.632 1.00 28.39 ? 192 TYR B CD1 1 ATOM 4536 C CD2 . TYR B 1 175 ? 22.906 -26.901 34.436 1.00 26.41 ? 192 TYR B CD2 1 ATOM 4537 C CE1 . TYR B 1 175 ? 22.010 -24.281 34.471 1.00 27.98 ? 192 TYR B CE1 1 ATOM 4538 C CE2 . TYR B 1 175 ? 22.391 -26.322 33.283 1.00 25.57 ? 192 TYR B CE2 1 ATOM 4539 C CZ . TYR B 1 175 ? 21.944 -25.016 33.303 1.00 26.59 ? 192 TYR B CZ 1 ATOM 4540 O OH . TYR B 1 175 ? 21.462 -24.478 32.125 1.00 26.32 ? 192 TYR B OH 1 ATOM 4541 N N . GLU B 1 176 ? 26.615 -27.860 38.414 1.00 30.21 ? 193 GLU B N 1 ATOM 4542 C CA . GLU B 1 176 ? 27.241 -28.234 39.687 1.00 31.57 ? 193 GLU B CA 1 ATOM 4543 C C . GLU B 1 176 ? 28.753 -28.041 39.675 1.00 28.66 ? 193 GLU B C 1 ATOM 4544 O O . GLU B 1 176 ? 29.443 -28.548 40.552 1.00 30.49 ? 193 GLU B O 1 ATOM 4545 C CB . GLU B 1 176 ? 26.979 -29.714 40.009 1.00 34.91 ? 193 GLU B CB 1 ATOM 4546 C CG . GLU B 1 176 ? 25.527 -30.150 39.988 1.00 46.09 ? 193 GLU B CG 1 ATOM 4547 C CD . GLU B 1 176 ? 24.680 -29.505 41.074 1.00 47.64 ? 193 GLU B CD 1 ATOM 4548 O OE1 . GLU B 1 176 ? 25.226 -28.837 41.973 1.00 42.98 ? 193 GLU B OE1 1 ATOM 4549 O OE2 . GLU B 1 176 ? 23.448 -29.664 41.012 1.00 43.98 ? 193 GLU B OE2 1 ATOM 4550 N N . GLY B 1 177 ? 29.286 -27.362 38.662 1.00 27.33 ? 194 GLY B N 1 ATOM 4551 C CA . GLY B 1 177 ? 30.726 -27.123 38.586 1.00 24.44 ? 194 GLY B CA 1 ATOM 4552 C C . GLY B 1 177 ? 31.554 -28.215 37.921 1.00 26.81 ? 194 GLY B C 1 ATOM 4553 O O . GLY B 1 177 ? 32.778 -28.075 37.790 1.00 28.04 ? 194 GLY B O 1 ATOM 4554 N N . GLY B 1 178 ? 30.901 -29.298 37.498 1.00 27.12 ? 195 GLY B N 1 ATOM 4555 C CA . GLY B 1 178 ? 31.528 -30.310 36.648 1.00 24.10 ? 195 GLY B CA 1 ATOM 4556 C C . GLY B 1 178 ? 32.491 -31.277 37.302 1.00 25.67 ? 195 GLY B C 1 ATOM 4557 O O . GLY B 1 178 ? 33.038 -32.150 36.624 1.00 21.45 ? 195 GLY B O 1 ATOM 4558 N N . LEU B 1 179 ? 32.695 -31.153 38.613 1.00 24.72 ? 196 LEU B N 1 ATOM 4559 C CA . LEU B 1 179 ? 33.741 -31.915 39.298 1.00 27.36 ? 196 LEU B CA 1 ATOM 4560 C C . LEU B 1 179 ? 33.267 -32.520 40.614 1.00 27.44 ? 196 LEU B C 1 ATOM 4561 O O . LEU B 1 179 ? 32.342 -31.995 41.235 1.00 25.26 ? 196 LEU B O 1 ATOM 4562 C CB . LEU B 1 179 ? 34.936 -30.998 39.602 1.00 27.39 ? 196 LEU B CB 1 ATOM 4563 C CG . LEU B 1 179 ? 35.625 -30.359 38.392 1.00 24.11 ? 196 LEU B CG 1 ATOM 4564 C CD1 . LEU B 1 179 ? 36.530 -29.212 38.848 1.00 29.54 ? 196 LEU B CD1 1 ATOM 4565 C CD2 . LEU B 1 179 ? 36.368 -31.421 37.574 1.00 24.81 ? 196 LEU B CD2 1 ATOM 4566 N N . PRO B 1 180 ? 33.916 -33.625 41.042 1.00 23.96 ? 197 PRO B N 1 ATOM 4567 C CA . PRO B 1 180 ? 33.672 -34.163 42.367 1.00 25.60 ? 197 PRO B CA 1 ATOM 4568 C C . PRO B 1 180 ? 34.210 -33.160 43.382 1.00 34.47 ? 197 PRO B C 1 ATOM 4569 O O . PRO B 1 180 ? 35.116 -32.398 43.054 1.00 34.36 ? 197 PRO B O 1 ATOM 4570 C CB . PRO B 1 180 ? 34.483 -35.460 42.376 1.00 29.94 ? 197 PRO B CB 1 ATOM 4571 C CG . PRO B 1 180 ? 35.562 -35.253 41.403 1.00 30.62 ? 197 PRO B CG 1 ATOM 4572 C CD . PRO B 1 180 ? 34.955 -34.391 40.325 1.00 25.21 ? 197 PRO B CD 1 ATOM 4573 N N . PRO B 1 181 ? 33.674 -33.162 44.615 1.00 30.96 ? 198 PRO B N 1 ATOM 4574 C CA . PRO B 1 181 ? 32.666 -34.117 45.069 1.00 33.88 ? 198 PRO B CA 1 ATOM 4575 C C . PRO B 1 181 ? 31.224 -33.790 44.676 1.00 33.41 ? 198 PRO B C 1 ATOM 4576 O O . PRO B 1 181 ? 30.365 -34.653 44.814 1.00 35.67 ? 198 PRO B O 1 ATOM 4577 C CB . PRO B 1 181 ? 32.825 -34.078 46.590 1.00 37.09 ? 198 PRO B CB 1 ATOM 4578 C CG . PRO B 1 181 ? 33.326 -32.707 46.873 1.00 38.88 ? 198 PRO B CG 1 ATOM 4579 C CD . PRO B 1 181 ? 34.174 -32.313 45.712 1.00 41.51 ? 198 PRO B CD 1 ATOM 4580 N N . ARG B 1 182 ? 30.950 -32.586 44.167 1.00 30.38 ? 199 ARG B N 1 ATOM 4581 C CA . ARG B 1 182 ? 29.570 -32.209 43.877 1.00 29.95 ? 199 ARG B CA 1 ATOM 4582 C C . ARG B 1 182 ? 28.973 -33.046 42.749 1.00 33.23 ? 199 ARG B C 1 ATOM 4583 O O . ARG B 1 182 ? 27.795 -33.386 42.791 1.00 33.82 ? 199 ARG B O 1 ATOM 4584 C CB . ARG B 1 182 ? 29.455 -30.726 43.552 1.00 32.31 ? 199 ARG B CB 1 ATOM 4585 C CG . ARG B 1 182 ? 29.669 -29.826 44.764 1.00 36.30 ? 199 ARG B CG 1 ATOM 4586 C CD . ARG B 1 182 ? 29.815 -28.383 44.326 1.00 46.70 ? 199 ARG B CD 1 ATOM 4587 N NE . ARG B 1 182 ? 28.554 -27.860 43.814 1.00 43.12 ? 199 ARG B NE 1 ATOM 4588 C CZ . ARG B 1 182 ? 28.413 -26.691 43.194 1.00 50.88 ? 199 ARG B CZ 1 ATOM 4589 N NH1 . ARG B 1 182 ? 29.465 -25.903 42.980 1.00 55.53 ? 199 ARG B NH1 1 ATOM 4590 N NH2 . ARG B 1 182 ? 27.207 -26.310 42.778 1.00 51.75 ? 199 ARG B NH2 1 ATOM 4591 N N . VAL B 1 183 ? 29.785 -33.369 41.744 1.00 28.16 ? 200 VAL B N 1 ATOM 4592 C CA . VAL B 1 183 ? 29.343 -34.247 40.649 1.00 24.67 ? 200 VAL B CA 1 ATOM 4593 C C . VAL B 1 183 ? 29.812 -35.665 40.889 1.00 33.68 ? 200 VAL B C 1 ATOM 4594 O O . VAL B 1 183 ? 30.979 -35.879 41.239 1.00 28.27 ? 200 VAL B O 1 ATOM 4595 C CB . VAL B 1 183 ? 29.892 -33.792 39.304 1.00 24.20 ? 200 VAL B CB 1 ATOM 4596 C CG1 . VAL B 1 183 ? 29.566 -34.822 38.193 1.00 22.91 ? 200 VAL B CG1 1 ATOM 4597 C CG2 . VAL B 1 183 ? 29.323 -32.400 38.963 1.00 24.18 ? 200 VAL B CG2 1 ATOM 4598 N N . GLN B 1 184 ? 28.897 -36.621 40.697 1.00 26.24 ? 201 GLN B N 1 ATOM 4599 C CA . GLN B 1 184 ? 29.183 -38.038 40.904 1.00 26.62 ? 201 GLN B CA 1 ATOM 4600 C C . GLN B 1 184 ? 29.115 -38.729 39.554 1.00 28.79 ? 201 GLN B C 1 ATOM 4601 O O . GLN B 1 184 ? 28.032 -39.093 39.077 1.00 24.87 ? 201 GLN B O 1 ATOM 4602 C CB . GLN B 1 184 ? 28.177 -38.669 41.885 1.00 31.20 ? 201 GLN B CB 1 ATOM 4603 C CG . GLN B 1 184 ? 28.524 -40.106 42.249 1.00 34.76 ? 201 GLN B CG 1 ATOM 4604 C CD . GLN B 1 184 ? 27.410 -40.829 42.987 1.00 45.61 ? 201 GLN B CD 1 ATOM 4605 O OE1 . GLN B 1 184 ? 26.561 -40.201 43.627 1.00 37.47 ? 201 GLN B OE1 1 ATOM 4606 N NE2 . GLN B 1 184 ? 27.418 -42.165 42.911 1.00 30.55 ? 201 GLN B NE2 1 ATOM 4607 N N . TYR B 1 185 ? 30.264 -38.854 38.897 1.00 25.45 ? 202 TYR B N 1 ATOM 4608 C CA . TYR B 1 185 ? 30.267 -39.375 37.534 1.00 25.56 ? 202 TYR B CA 1 ATOM 4609 C C . TYR B 1 185 ? 29.847 -40.837 37.429 1.00 23.46 ? 202 TYR B C 1 ATOM 4610 O O . TYR B 1 185 ? 29.336 -41.264 36.398 1.00 23.99 ? 202 TYR B O 1 ATOM 4611 C CB . TYR B 1 185 ? 31.617 -39.123 36.835 1.00 26.66 ? 202 TYR B CB 1 ATOM 4612 C CG . TYR B 1 185 ? 31.735 -37.695 36.329 1.00 21.70 ? 202 TYR B CG 1 ATOM 4613 C CD1 . TYR B 1 185 ? 30.974 -37.253 35.246 1.00 21.05 ? 202 TYR B CD1 1 ATOM 4614 C CD2 . TYR B 1 185 ? 32.588 -36.782 36.939 1.00 25.00 ? 202 TYR B CD2 1 ATOM 4615 C CE1 . TYR B 1 185 ? 31.045 -35.937 34.791 1.00 20.97 ? 202 TYR B CE1 1 ATOM 4616 C CE2 . TYR B 1 185 ? 32.680 -35.459 36.474 1.00 23.71 ? 202 TYR B CE2 1 ATOM 4617 C CZ . TYR B 1 185 ? 31.915 -35.045 35.392 1.00 22.16 ? 202 TYR B CZ 1 ATOM 4618 O OH . TYR B 1 185 ? 31.985 -33.735 34.936 1.00 22.34 ? 202 TYR B OH 1 ATOM 4619 N N . SER B 1 186 ? 30.067 -41.611 38.486 1.00 22.79 ? 203 SER B N 1 ATOM 4620 C CA . SER B 1 186 ? 29.581 -42.983 38.497 1.00 23.91 ? 203 SER B CA 1 ATOM 4621 C C . SER B 1 186 ? 28.059 -43.052 38.364 1.00 28.73 ? 203 SER B C 1 ATOM 4622 O O . SER B 1 186 ? 27.531 -43.908 37.637 1.00 26.87 ? 203 SER B O 1 ATOM 4623 C CB . SER B 1 186 ? 30.056 -43.710 39.759 1.00 27.85 ? 203 SER B CB 1 ATOM 4624 O OG . SER B 1 186 ? 29.625 -43.028 40.925 1.00 31.25 ? 203 SER B OG 1 ATOM 4625 N N . LEU B 1 187 ? 27.352 -42.143 39.035 1.00 26.80 ? 204 LEU B N 1 ATOM 4626 C CA . LEU B 1 187 ? 25.900 -42.082 38.913 1.00 24.78 ? 204 LEU B CA 1 ATOM 4627 C C . LEU B 1 187 ? 25.528 -41.559 37.537 1.00 23.16 ? 204 LEU B C 1 ATOM 4628 O O . LEU B 1 187 ? 24.661 -42.131 36.882 1.00 24.93 ? 204 LEU B O 1 ATOM 4629 C CB . LEU B 1 187 ? 25.244 -41.217 40.002 1.00 27.83 ? 204 LEU B CB 1 ATOM 4630 C CG . LEU B 1 187 ? 23.719 -41.008 39.851 1.00 29.63 ? 204 LEU B CG 1 ATOM 4631 C CD1 . LEU B 1 187 ? 22.982 -42.344 39.872 1.00 31.67 ? 204 LEU B CD1 1 ATOM 4632 C CD2 . LEU B 1 187 ? 23.178 -40.099 40.959 1.00 33.08 ? 204 LEU B CD2 1 ATOM 4633 N N . LEU B 1 188 ? 26.178 -40.481 37.090 1.00 22.63 ? 205 LEU B N 1 ATOM 4634 C CA . LEU B 1 188 ? 25.862 -39.943 35.770 1.00 20.01 ? 205 LEU B CA 1 ATOM 4635 C C . LEU B 1 188 ? 25.984 -41.002 34.690 1.00 22.44 ? 205 LEU B C 1 ATOM 4636 O O . LEU B 1 188 ? 25.112 -41.096 33.837 1.00 22.99 ? 205 LEU B O 1 ATOM 4637 C CB . LEU B 1 188 ? 26.731 -38.742 35.383 1.00 24.00 ? 205 LEU B CB 1 ATOM 4638 C CG . LEU B 1 188 ? 26.376 -37.426 36.050 1.00 30.97 ? 205 LEU B CG 1 ATOM 4639 C CD1 . LEU B 1 188 ? 27.455 -36.405 35.689 1.00 28.42 ? 205 LEU B CD1 1 ATOM 4640 C CD2 . LEU B 1 188 ? 24.990 -36.934 35.636 1.00 34.99 ? 205 LEU B CD2 1 ATOM 4641 N N . ALA B 1 189 ? 27.035 -41.821 34.744 1.00 22.80 ? 206 ALA B N 1 ATOM 4642 C CA . ALA B 1 189 ? 27.234 -42.845 33.711 1.00 23.35 ? 206 ALA B CA 1 ATOM 4643 C C . ALA B 1 189 ? 26.096 -43.873 33.694 1.00 24.78 ? 206 ALA B C 1 ATOM 4644 O O . ALA B 1 189 ? 25.750 -44.430 32.652 1.00 24.15 ? 206 ALA B O 1 ATOM 4645 C CB . ALA B 1 189 ? 28.576 -43.542 33.897 1.00 25.09 ? 206 ALA B CB 1 ATOM 4646 N N . ASP B 1 190 ? 25.517 -44.125 34.862 1.00 23.47 ? 207 ASP B N 1 ATOM 4647 C CA . ASP B 1 190 ? 24.415 -45.060 34.985 1.00 22.50 ? 207 ASP B CA 1 ATOM 4648 C C . ASP B 1 190 ? 23.058 -44.499 34.570 1.00 23.46 ? 207 ASP B C 1 ATOM 4649 O O . ASP B 1 190 ? 22.149 -45.286 34.298 1.00 27.11 ? 207 ASP B O 1 ATOM 4650 C CB . ASP B 1 190 ? 24.271 -45.530 36.434 1.00 22.89 ? 207 ASP B CB 1 ATOM 4651 C CG . ASP B 1 190 ? 25.118 -46.727 36.757 1.00 33.22 ? 207 ASP B CG 1 ATOM 4652 O OD1 . ASP B 1 190 ? 25.974 -47.118 35.934 1.00 29.02 ? 207 ASP B OD1 1 ATOM 4653 O OD2 . ASP B 1 190 ? 24.924 -47.275 37.863 1.00 34.66 ? 207 ASP B OD2 1 ATOM 4654 N N . ILE B 1 191 ? 22.883 -43.179 34.586 1.00 20.50 ? 208 ILE B N 1 ATOM 4655 C CA . ILE B 1 191 ? 21.571 -42.603 34.275 1.00 21.18 ? 208 ILE B CA 1 ATOM 4656 C C . ILE B 1 191 ? 21.502 -41.799 32.978 1.00 22.99 ? 208 ILE B C 1 ATOM 4657 O O . ILE B 1 191 ? 20.411 -41.487 32.525 1.00 23.22 ? 208 ILE B O 1 ATOM 4658 C CB . ILE B 1 191 ? 20.996 -41.762 35.439 1.00 23.83 ? 208 ILE B CB 1 ATOM 4659 C CG1 . ILE B 1 191 ? 21.873 -40.562 35.784 1.00 22.75 ? 208 ILE B CG1 1 ATOM 4660 C CG2 . ILE B 1 191 ? 20.795 -42.655 36.703 1.00 22.34 ? 208 ILE B CG2 1 ATOM 4661 C CD1 . ILE B 1 191 ? 21.066 -39.407 36.383 1.00 26.86 ? 208 ILE B CD1 1 ATOM 4662 N N . CYS B 1 192 ? 22.654 -41.470 32.398 1.00 20.04 ? 209 CYS B N 1 ATOM 4663 C CA . CYS B 1 192 ? 22.700 -40.622 31.193 1.00 21.55 ? 209 CYS B CA 1 ATOM 4664 C C . CYS B 1 192 ? 23.602 -41.203 30.121 1.00 21.07 ? 209 CYS B C 1 ATOM 4665 O O . CYS B 1 192 ? 24.612 -41.848 30.429 1.00 19.63 ? 209 CYS B O 1 ATOM 4666 C CB . CYS B 1 192 ? 23.247 -39.250 31.548 1.00 22.56 ? 209 CYS B CB 1 ATOM 4667 S SG . CYS B 1 192 ? 22.378 -38.376 32.850 1.00 26.19 ? 209 CYS B SG 1 ATOM 4668 N N . ASN B 1 193 ? 23.244 -40.964 28.857 1.00 19.01 ? 210 ASN B N 1 ATOM 4669 C CA . ASN B 1 193 ? 24.100 -41.337 27.727 1.00 18.38 ? 210 ASN B CA 1 ATOM 4670 C C . ASN B 1 193 ? 25.221 -40.330 27.435 1.00 17.98 ? 210 ASN B C 1 ATOM 4671 O O . ASN B 1 193 ? 26.206 -40.676 26.800 1.00 17.55 ? 210 ASN B O 1 ATOM 4672 C CB . ASN B 1 193 ? 23.295 -41.490 26.435 1.00 19.03 ? 210 ASN B CB 1 ATOM 4673 C CG . ASN B 1 193 ? 22.338 -42.667 26.464 1.00 19.14 ? 210 ASN B CG 1 ATOM 4674 O OD1 . ASN B 1 193 ? 21.117 -42.479 26.366 1.00 20.43 ? 210 ASN B OD1 1 ATOM 4675 N ND2 . ASN B 1 193 ? 22.877 -43.885 26.581 1.00 19.06 ? 210 ASN B ND2 1 ATOM 4676 N N . LEU B 1 194 ? 25.024 -39.089 27.861 1.00 18.15 ? 211 LEU B N 1 ATOM 4677 C CA . LEU B 1 194 ? 26.028 -38.033 27.710 1.00 17.32 ? 211 LEU B CA 1 ATOM 4678 C C . LEU B 1 194 ? 25.649 -36.908 28.638 1.00 17.80 ? 211 LEU B C 1 ATOM 4679 O O . LEU B 1 194 ? 24.494 -36.811 29.072 1.00 19.61 ? 211 LEU B O 1 ATOM 4680 C CB . LEU B 1 194 ? 26.156 -37.546 26.251 1.00 18.84 ? 211 LEU B CB 1 ATOM 4681 C CG . LEU B 1 194 ? 24.990 -36.858 25.556 1.00 17.68 ? 211 LEU B CG 1 ATOM 4682 C CD1 . LEU B 1 194 ? 25.450 -35.958 24.355 1.00 17.26 ? 211 LEU B CD1 1 ATOM 4683 C CD2 . LEU B 1 194 ? 23.959 -37.912 25.077 1.00 16.98 ? 211 LEU B CD2 1 ATOM 4684 N N . TRP B 1 195 ? 26.624 -36.081 28.980 1.00 16.95 ? 212 TRP B N 1 ATOM 4685 C CA . TRP B 1 195 ? 26.388 -34.975 29.880 1.00 16.59 ? 212 TRP B CA 1 ATOM 4686 C C . TRP B 1 195 ? 27.253 -33.792 29.517 1.00 19.32 ? 212 TRP B C 1 ATOM 4687 O O . TRP B 1 195 ? 28.444 -33.940 29.219 1.00 18.00 ? 212 TRP B O 1 ATOM 4688 C CB . TRP B 1 195 ? 26.671 -35.385 31.334 1.00 18.31 ? 212 TRP B CB 1 ATOM 4689 C CG . TRP B 1 195 ? 27.943 -36.150 31.487 1.00 17.81 ? 212 TRP B CG 1 ATOM 4690 C CD1 . TRP B 1 195 ? 29.203 -35.647 31.588 1.00 18.08 ? 212 TRP B CD1 1 ATOM 4691 C CD2 . TRP B 1 195 ? 28.072 -37.566 31.475 1.00 17.53 ? 212 TRP B CD2 1 ATOM 4692 N NE1 . TRP B 1 195 ? 30.113 -36.666 31.660 1.00 17.45 ? 212 TRP B NE1 1 ATOM 4693 C CE2 . TRP B 1 195 ? 29.444 -37.860 31.594 1.00 19.80 ? 212 TRP B CE2 1 ATOM 4694 C CE3 . TRP B 1 195 ? 27.155 -38.619 31.381 1.00 19.40 ? 212 TRP B CE3 1 ATOM 4695 C CZ2 . TRP B 1 195 ? 29.926 -39.171 31.644 1.00 23.85 ? 212 TRP B CZ2 1 ATOM 4696 C CZ3 . TRP B 1 195 ? 27.628 -39.911 31.414 1.00 25.43 ? 212 TRP B CZ3 1 ATOM 4697 C CH2 . TRP B 1 195 ? 29.006 -40.179 31.548 1.00 25.97 ? 212 TRP B CH2 1 ATOM 4698 N N . ARG B 1 196 ? 26.640 -32.614 29.586 1.00 17.63 ? 213 ARG B N 1 ATOM 4699 C CA . ARG B 1 196 ? 27.363 -31.362 29.449 1.00 18.02 ? 213 ARG B CA 1 ATOM 4700 C C . ARG B 1 196 ? 28.076 -31.095 30.784 1.00 21.24 ? 213 ARG B C 1 ATOM 4701 O O . ARG B 1 196 ? 27.427 -30.860 31.806 1.00 21.21 ? 213 ARG B O 1 ATOM 4702 C CB . ARG B 1 196 ? 26.408 -30.219 29.012 1.00 18.13 ? 213 ARG B CB 1 ATOM 4703 C CG . ARG B 1 196 ? 26.008 -30.195 27.514 1.00 19.32 ? 213 ARG B CG 1 ATOM 4704 C CD . ARG B 1 196 ? 27.060 -29.501 26.648 1.00 15.65 ? 213 ARG B CD 1 ATOM 4705 N NE . ARG B 1 196 ? 27.440 -28.272 27.324 1.00 16.34 ? 213 ARG B NE 1 ATOM 4706 C CZ . ARG B 1 196 ? 26.675 -27.194 27.417 1.00 16.80 ? 213 ARG B CZ 1 ATOM 4707 N NH1 . ARG B 1 196 ? 25.547 -27.093 26.718 1.00 18.26 ? 213 ARG B NH1 1 ATOM 4708 N NH2 . ARG B 1 196 ? 27.079 -26.189 28.173 1.00 17.41 ? 213 ARG B NH2 1 ATOM 4709 N N . ASN B 1 197 ? 29.406 -31.155 30.760 1.00 20.32 ? 214 ASN B N 1 ATOM 4710 C CA . ASN B 1 197 ? 30.233 -30.990 31.959 1.00 21.11 ? 214 ASN B CA 1 ATOM 4711 C C . ASN B 1 197 ? 30.460 -29.524 32.308 1.00 19.87 ? 214 ASN B C 1 ATOM 4712 O O . ASN B 1 197 ? 30.762 -29.194 33.447 1.00 20.13 ? 214 ASN B O 1 ATOM 4713 C CB . ASN B 1 197 ? 31.658 -31.536 31.734 1.00 21.98 ? 214 ASN B CB 1 ATOM 4714 C CG . ASN B 1 197 ? 31.711 -32.921 31.171 1.00 22.65 ? 214 ASN B CG 1 ATOM 4715 O OD1 . ASN B 1 197 ? 31.433 -33.145 29.989 1.00 22.31 ? 214 ASN B OD1 1 ATOM 4716 N ND2 . ASN B 1 197 ? 32.190 -33.858 31.988 1.00 17.51 ? 214 ASN B ND2 1 ATOM 4717 N N . TYR B 1 198 ? 30.415 -28.652 31.297 1.00 18.70 ? 215 TYR B N 1 ATOM 4718 C CA . TYR B 1 198 ? 31.042 -27.337 31.408 1.00 18.51 ? 215 TYR B CA 1 ATOM 4719 C C . TYR B 1 198 ? 30.241 -26.241 30.680 1.00 17.08 ? 215 TYR B C 1 ATOM 4720 O O . TYR B 1 198 ? 29.108 -26.473 30.210 1.00 19.75 ? 215 TYR B O 1 ATOM 4721 C CB . TYR B 1 198 ? 32.518 -27.458 30.943 1.00 16.48 ? 215 TYR B CB 1 ATOM 4722 C CG . TYR B 1 198 ? 33.421 -26.295 31.265 1.00 19.77 ? 215 TYR B CG 1 ATOM 4723 C CD1 . TYR B 1 198 ? 33.585 -25.870 32.573 1.00 21.56 ? 215 TYR B CD1 1 ATOM 4724 C CD2 . TYR B 1 198 ? 34.099 -25.601 30.266 1.00 18.88 ? 215 TYR B CD2 1 ATOM 4725 C CE1 . TYR B 1 198 ? 34.382 -24.796 32.883 1.00 23.01 ? 215 TYR B CE1 1 ATOM 4726 C CE2 . TYR B 1 198 ? 34.917 -24.504 30.576 1.00 21.98 ? 215 TYR B CE2 1 ATOM 4727 C CZ . TYR B 1 198 ? 35.062 -24.130 31.901 1.00 25.04 ? 215 TYR B CZ 1 ATOM 4728 O OH . TYR B 1 198 ? 35.850 -23.053 32.267 1.00 29.73 ? 215 TYR B OH 1 ATOM 4729 N N . ASP B 1 199 ? 30.844 -25.061 30.561 1.00 19.43 ? 216 ASP B N 1 ATOM 4730 C CA . ASP B 1 199 ? 30.204 -23.865 30.010 1.00 20.08 ? 216 ASP B CA 1 ATOM 4731 C C . ASP B 1 199 ? 29.723 -24.027 28.567 1.00 18.71 ? 216 ASP B C 1 ATOM 4732 O O . ASP B 1 199 ? 30.317 -24.750 27.754 1.00 18.47 ? 216 ASP B O 1 ATOM 4733 C CB . ASP B 1 199 ? 31.190 -22.695 29.996 1.00 21.95 ? 216 ASP B CB 1 ATOM 4734 C CG . ASP B 1 199 ? 31.645 -22.255 31.365 1.00 34.53 ? 216 ASP B CG 1 ATOM 4735 O OD1 . ASP B 1 199 ? 31.070 -22.679 32.383 1.00 31.05 ? 216 ASP B OD1 1 ATOM 4736 O OD2 . ASP B 1 199 ? 32.610 -21.456 31.381 1.00 39.50 ? 216 ASP B OD2 1 ATOM 4737 N N . ASP B 1 200 ? 28.664 -23.298 28.246 1.00 17.04 ? 217 ASP B N 1 ATOM 4738 C CA . ASP B 1 200 ? 28.193 -23.227 26.873 1.00 15.08 ? 217 ASP B CA 1 ATOM 4739 C C . ASP B 1 200 ? 29.299 -22.730 25.955 1.00 17.81 ? 217 ASP B C 1 ATOM 4740 O O . ASP B 1 200 ? 29.995 -21.757 26.257 1.00 16.45 ? 217 ASP B O 1 ATOM 4741 C CB . ASP B 1 200 ? 27.057 -22.222 26.733 1.00 18.31 ? 217 ASP B CB 1 ATOM 4742 C CG . ASP B 1 200 ? 25.785 -22.613 27.475 1.00 23.53 ? 217 ASP B CG 1 ATOM 4743 O OD1 . ASP B 1 200 ? 25.747 -23.614 28.241 1.00 19.59 ? 217 ASP B OD1 1 ATOM 4744 O OD2 . ASP B 1 200 ? 24.808 -21.849 27.284 1.00 21.38 ? 217 ASP B OD2 1 ATOM 4745 N N . ILE B 1 201 ? 29.416 -23.374 24.801 1.00 16.96 ? 218 ILE B N 1 ATOM 4746 C CA . ILE B 1 201 ? 30.347 -22.915 23.778 1.00 14.60 ? 218 ILE B CA 1 ATOM 4747 C C . ILE B 1 201 ? 29.735 -21.688 23.108 1.00 17.48 ? 218 ILE B C 1 ATOM 4748 O O . ILE B 1 201 ? 28.522 -21.578 22.996 1.00 16.59 ? 218 ILE B O 1 ATOM 4749 C CB . ILE B 1 201 ? 30.657 -24.028 22.762 1.00 13.16 ? 218 ILE B CB 1 ATOM 4750 C CG1 . ILE B 1 201 ? 31.843 -23.659 21.861 1.00 15.88 ? 218 ILE B CG1 1 ATOM 4751 C CG2 . ILE B 1 201 ? 29.482 -24.330 21.863 1.00 13.62 ? 218 ILE B CG2 1 ATOM 4752 C CD1 . ILE B 1 201 ? 32.495 -24.893 21.222 1.00 15.38 ? 218 ILE B CD1 1 ATOM 4753 N N . GLN B 1 202 ? 30.585 -20.757 22.714 1.00 14.73 ? 219 GLN B N 1 ATOM 4754 C CA . GLN B 1 202 ? 30.154 -19.577 21.962 1.00 15.67 ? 219 GLN B CA 1 ATOM 4755 C C . GLN B 1 202 ? 30.988 -19.556 20.684 1.00 14.66 ? 219 GLN B C 1 ATOM 4756 O O . GLN B 1 202 ? 31.995 -20.258 20.581 1.00 14.39 ? 219 GLN B O 1 ATOM 4757 C CB . GLN B 1 202 ? 30.398 -18.311 22.774 1.00 16.44 ? 219 GLN B CB 1 ATOM 4758 C CG . GLN B 1 202 ? 29.757 -18.307 24.175 1.00 21.12 ? 219 GLN B CG 1 ATOM 4759 C CD . GLN B 1 202 ? 28.232 -18.402 24.160 1.00 26.22 ? 219 GLN B CD 1 ATOM 4760 O OE1 . GLN B 1 202 ? 27.586 -18.034 23.187 1.00 23.46 ? 219 GLN B OE1 1 ATOM 4761 N NE2 . GLN B 1 202 ? 27.657 -18.903 25.248 1.00 26.34 ? 219 GLN B NE2 1 ATOM 4762 N N . ASP B 1 203 ? 30.611 -18.714 19.729 1.00 15.91 ? 220 ASP B N 1 ATOM 4763 C CA . ASP B 1 203 ? 31.252 -18.733 18.414 1.00 15.92 ? 220 ASP B CA 1 ATOM 4764 C C . ASP B 1 203 ? 32.551 -17.912 18.441 1.00 14.94 ? 220 ASP B C 1 ATOM 4765 O O . ASP B 1 203 ? 32.634 -16.802 17.873 1.00 15.65 ? 220 ASP B O 1 ATOM 4766 C CB . ASP B 1 203 ? 30.276 -18.227 17.353 1.00 15.29 ? 220 ASP B CB 1 ATOM 4767 C CG . ASP B 1 203 ? 30.684 -18.585 15.928 1.00 14.76 ? 220 ASP B CG 1 ATOM 4768 O OD1 . ASP B 1 203 ? 31.759 -19.190 15.734 1.00 16.92 ? 220 ASP B OD1 1 ATOM 4769 O OD2 . ASP B 1 203 ? 29.925 -18.228 15.005 1.00 17.56 ? 220 ASP B OD2 1 ATOM 4770 N N . SER B 1 204 ? 33.544 -18.453 19.135 1.00 14.74 ? 221 SER B N 1 ATOM 4771 C CA . SER B 1 204 ? 34.844 -17.824 19.249 1.00 14.53 ? 221 SER B CA 1 ATOM 4772 C C . SER B 1 204 ? 35.904 -18.861 19.526 1.00 11.17 ? 221 SER B C 1 ATOM 4773 O O . SER B 1 204 ? 35.640 -19.891 20.156 1.00 12.86 ? 221 SER B O 1 ATOM 4774 C CB . SER B 1 204 ? 34.857 -16.774 20.358 1.00 18.01 ? 221 SER B CB 1 ATOM 4775 O OG . SER B 1 204 ? 34.896 -17.339 21.652 1.00 17.75 ? 221 SER B OG 1 ATOM 4776 N N . TRP B 1 205 ? 37.109 -18.590 19.056 1.00 13.35 ? 222 TRP B N 1 ATOM 4777 C CA . TRP B 1 205 ? 38.239 -19.449 19.382 1.00 14.68 ? 222 TRP B CA 1 ATOM 4778 C C . TRP B 1 205 ? 38.564 -19.423 20.863 1.00 14.07 ? 222 TRP B C 1 ATOM 4779 O O . TRP B 1 205 ? 38.910 -20.480 21.448 1.00 14.93 ? 222 TRP B O 1 ATOM 4780 C CB . TRP B 1 205 ? 39.434 -19.041 18.549 1.00 14.40 ? 222 TRP B CB 1 ATOM 4781 C CG . TRP B 1 205 ? 40.660 -19.874 18.721 1.00 13.88 ? 222 TRP B CG 1 ATOM 4782 C CD1 . TRP B 1 205 ? 41.901 -19.413 19.037 1.00 15.59 ? 222 TRP B CD1 1 ATOM 4783 C CD2 . TRP B 1 205 ? 40.799 -21.289 18.489 1.00 13.24 ? 222 TRP B CD2 1 ATOM 4784 N NE1 . TRP B 1 205 ? 42.811 -20.454 19.052 1.00 17.10 ? 222 TRP B NE1 1 ATOM 4785 C CE2 . TRP B 1 205 ? 42.165 -21.613 18.726 1.00 17.05 ? 222 TRP B CE2 1 ATOM 4786 C CE3 . TRP B 1 205 ? 39.915 -22.306 18.134 1.00 12.21 ? 222 TRP B CE3 1 ATOM 4787 C CZ2 . TRP B 1 205 ? 42.660 -22.917 18.585 1.00 17.03 ? 222 TRP B CZ2 1 ATOM 4788 C CZ3 . TRP B 1 205 ? 40.406 -23.607 17.986 1.00 13.42 ? 222 TRP B CZ3 1 ATOM 4789 C CH2 . TRP B 1 205 ? 41.767 -23.895 18.230 1.00 17.28 ? 222 TRP B CH2 1 ATOM 4790 N N . TRP B 1 206 ? 38.437 -18.258 21.511 1.00 16.76 ? 223 TRP B N 1 ATOM 4791 C CA . TRP B 1 206 ? 38.647 -18.165 22.949 1.00 18.00 ? 223 TRP B CA 1 ATOM 4792 C C . TRP B 1 206 ? 37.764 -19.183 23.681 1.00 14.83 ? 223 TRP B C 1 ATOM 4793 O O . TRP B 1 206 ? 38.183 -19.848 24.657 1.00 14.93 ? 223 TRP B O 1 ATOM 4794 C CB . TRP B 1 206 ? 38.331 -16.736 23.456 1.00 17.54 ? 223 TRP B CB 1 ATOM 4795 C CG . TRP B 1 206 ? 38.562 -16.574 24.913 1.00 21.44 ? 223 TRP B CG 1 ATOM 4796 C CD1 . TRP B 1 206 ? 39.694 -16.102 25.511 1.00 29.99 ? 223 TRP B CD1 1 ATOM 4797 C CD2 . TRP B 1 206 ? 37.657 -16.919 25.973 1.00 26.39 ? 223 TRP B CD2 1 ATOM 4798 N NE1 . TRP B 1 206 ? 39.548 -16.124 26.875 1.00 28.29 ? 223 TRP B NE1 1 ATOM 4799 C CE2 . TRP B 1 206 ? 38.307 -16.613 27.187 1.00 30.29 ? 223 TRP B CE2 1 ATOM 4800 C CE3 . TRP B 1 206 ? 36.359 -17.448 26.016 1.00 29.30 ? 223 TRP B CE3 1 ATOM 4801 C CZ2 . TRP B 1 206 ? 37.710 -16.838 28.435 1.00 43.99 ? 223 TRP B CZ2 1 ATOM 4802 C CZ3 . TRP B 1 206 ? 35.763 -17.670 27.264 1.00 39.87 ? 223 TRP B CZ3 1 ATOM 4803 C CH2 . TRP B 1 206 ? 36.442 -17.363 28.451 1.00 41.77 ? 223 TRP B CH2 1 ATOM 4804 N N . SER B 1 207 ? 36.525 -19.303 23.234 1.00 14.37 ? 224 SER B N 1 ATOM 4805 C CA . SER B 1 207 ? 35.585 -20.245 23.841 1.00 14.98 ? 224 SER B CA 1 ATOM 4806 C C . SER B 1 207 ? 36.061 -21.696 23.706 1.00 14.59 ? 224 SER B C 1 ATOM 4807 O O . SER B 1 207 ? 36.073 -22.450 24.683 1.00 16.72 ? 224 SER B O 1 ATOM 4808 C CB . SER B 1 207 ? 34.188 -20.102 23.225 1.00 16.54 ? 224 SER B CB 1 ATOM 4809 O OG . SER B 1 207 ? 33.277 -21.006 23.829 1.00 15.91 ? 224 SER B OG 1 ATOM 4810 N N . VAL B 1 208 ? 36.462 -22.075 22.505 1.00 13.57 ? 225 VAL B N 1 ATOM 4811 C CA . VAL B 1 208 ? 36.986 -23.421 22.265 1.00 13.53 ? 225 VAL B CA 1 ATOM 4812 C C . VAL B 1 208 ? 38.165 -23.679 23.172 1.00 13.77 ? 225 VAL B C 1 ATOM 4813 O O . VAL B 1 208 ? 38.237 -24.735 23.816 1.00 15.00 ? 225 VAL B O 1 ATOM 4814 C CB . VAL B 1 208 ? 37.405 -23.601 20.792 1.00 14.08 ? 225 VAL B CB 1 ATOM 4815 C CG1 . VAL B 1 208 ? 38.041 -24.992 20.530 1.00 15.83 ? 225 VAL B CG1 1 ATOM 4816 C CG2 . VAL B 1 208 ? 36.202 -23.413 19.860 1.00 14.91 ? 225 VAL B CG2 1 ATOM 4817 N N . LEU B 1 209 ? 39.084 -22.722 23.231 1.00 14.88 ? 226 LEU B N 1 ATOM 4818 C CA . LEU B 1 209 ? 40.249 -22.877 24.089 1.00 15.72 ? 226 LEU B CA 1 ATOM 4819 C C . LEU B 1 209 ? 39.898 -22.992 25.563 1.00 17.64 ? 226 LEU B C 1 ATOM 4820 O O . LEU B 1 209 ? 40.521 -23.783 26.276 1.00 16.91 ? 226 LEU B O 1 ATOM 4821 C CB . LEU B 1 209 ? 41.223 -21.726 23.908 1.00 15.76 ? 226 LEU B CB 1 ATOM 4822 C CG . LEU B 1 209 ? 41.956 -21.609 22.591 1.00 16.98 ? 226 LEU B CG 1 ATOM 4823 C CD1 . LEU B 1 209 ? 42.804 -20.322 22.550 1.00 21.95 ? 226 LEU B CD1 1 ATOM 4824 C CD2 . LEU B 1 209 ? 42.798 -22.869 22.332 1.00 19.73 ? 226 LEU B CD2 1 ATOM 4825 N N A SER B 1 210 ? 38.921 -22.215 26.026 0.50 15.12 ? 227 SER B N 1 ATOM 4826 N N B SER B 1 210 ? 38.934 -22.200 26.026 0.50 14.93 ? 227 SER B N 1 ATOM 4827 C CA A SER B 1 210 ? 38.516 -22.282 27.442 0.50 12.58 ? 227 SER B CA 1 ATOM 4828 C CA B SER B 1 210 ? 38.511 -22.271 27.436 0.50 14.87 ? 227 SER B CA 1 ATOM 4829 C C A SER B 1 210 ? 37.993 -23.672 27.802 0.50 15.53 ? 227 SER B C 1 ATOM 4830 C C B SER B 1 210 ? 38.005 -23.671 27.792 0.50 15.09 ? 227 SER B C 1 ATOM 4831 O O A SER B 1 210 ? 38.302 -24.224 28.872 0.50 16.70 ? 227 SER B O 1 ATOM 4832 O O B SER B 1 210 ? 38.344 -24.230 28.849 0.50 18.00 ? 227 SER B O 1 ATOM 4833 C CB A SER B 1 210 ? 37.456 -21.221 27.747 0.50 18.92 ? 227 SER B CB 1 ATOM 4834 C CB B SER B 1 210 ? 37.429 -21.226 27.710 0.50 18.85 ? 227 SER B CB 1 ATOM 4835 O OG A SER B 1 210 ? 36.187 -21.559 27.203 0.50 22.01 ? 227 SER B OG 1 ATOM 4836 O OG B SER B 1 210 ? 36.740 -21.485 28.926 0.50 17.00 ? 227 SER B OG 1 ATOM 4837 N N . ILE B 1 211 ? 37.201 -24.239 26.902 1.00 15.93 ? 228 ILE B N 1 ATOM 4838 C CA . ILE B 1 211 ? 36.630 -25.563 27.097 1.00 15.33 ? 228 ILE B CA 1 ATOM 4839 C C . ILE B 1 211 ? 37.723 -26.623 27.045 1.00 17.11 ? 228 ILE B C 1 ATOM 4840 O O . ILE B 1 211 ? 37.812 -27.467 27.928 1.00 17.64 ? 228 ILE B O 1 ATOM 4841 C CB . ILE B 1 211 ? 35.559 -25.820 26.038 1.00 14.57 ? 228 ILE B CB 1 ATOM 4842 C CG1 . ILE B 1 211 ? 34.353 -24.941 26.330 1.00 14.88 ? 228 ILE B CG1 1 ATOM 4843 C CG2 . ILE B 1 211 ? 35.142 -27.305 26.016 1.00 15.74 ? 228 ILE B CG2 1 ATOM 4844 C CD1 . ILE B 1 211 ? 33.407 -24.863 25.133 1.00 16.91 ? 228 ILE B CD1 1 ATOM 4845 N N A LEU B 1 212 ? 38.576 -26.569 26.022 0.50 15.33 ? 229 LEU B N 1 ATOM 4846 N N B LEU B 1 212 ? 38.568 -26.552 26.023 0.50 15.52 ? 229 LEU B N 1 ATOM 4847 C CA A LEU B 1 212 ? 39.700 -27.510 25.928 0.50 12.60 ? 229 LEU B CA 1 ATOM 4848 C CA B LEU B 1 212 ? 39.675 -27.490 25.890 0.50 13.71 ? 229 LEU B CA 1 ATOM 4849 C C A LEU B 1 212 ? 40.539 -27.467 27.182 0.50 13.77 ? 229 LEU B C 1 ATOM 4850 C C B LEU B 1 212 ? 40.576 -27.458 27.123 0.50 15.54 ? 229 LEU B C 1 ATOM 4851 O O A LEU B 1 212 ? 40.880 -28.517 27.730 0.50 21.83 ? 229 LEU B O 1 ATOM 4852 O O B LEU B 1 212 ? 40.977 -28.517 27.607 0.50 18.77 ? 229 LEU B O 1 ATOM 4853 C CB A LEU B 1 212 ? 40.617 -27.187 24.757 0.50 13.77 ? 229 LEU B CB 1 ATOM 4854 C CB B LEU B 1 212 ? 40.485 -27.177 24.635 0.50 16.69 ? 229 LEU B CB 1 ATOM 4855 C CG A LEU B 1 212 ? 40.071 -27.509 23.373 0.50 13.14 ? 229 LEU B CG 1 ATOM 4856 C CG B LEU B 1 212 ? 41.659 -28.100 24.323 0.50 16.89 ? 229 LEU B CG 1 ATOM 4857 C CD1 A LEU B 1 212 ? 40.948 -26.849 22.298 0.50 17.34 ? 229 LEU B CD1 1 ATOM 4858 C CD1 B LEU B 1 212 ? 41.183 -29.487 23.918 0.50 11.07 ? 229 LEU B CD1 1 ATOM 4859 C CD2 A LEU B 1 212 ? 39.996 -29.010 23.157 0.50 15.63 ? 229 LEU B CD2 1 ATOM 4860 C CD2 B LEU B 1 212 ? 42.520 -27.495 23.219 0.50 13.92 ? 229 LEU B CD2 1 ATOM 4861 N N . ASN B 1 213 ? 40.887 -26.256 27.622 1.00 16.63 ? 230 ASN B N 1 ATOM 4862 C CA . ASN B 1 213 ? 41.733 -26.076 28.810 1.00 20.70 ? 230 ASN B CA 1 ATOM 4863 C C . ASN B 1 213 ? 41.129 -26.759 30.020 1.00 21.20 ? 230 ASN B C 1 ATOM 4864 O O . ASN B 1 213 ? 41.831 -27.413 30.788 1.00 21.99 ? 230 ASN B O 1 ATOM 4865 C CB . ASN B 1 213 ? 41.913 -24.597 29.161 1.00 20.03 ? 230 ASN B CB 1 ATOM 4866 C CG . ASN B 1 213 ? 42.861 -24.380 30.324 1.00 37.67 ? 230 ASN B CG 1 ATOM 4867 O OD1 . ASN B 1 213 ? 44.007 -24.844 30.307 1.00 47.89 ? 230 ASN B OD1 1 ATOM 4868 N ND2 . ASN B 1 213 ? 42.387 -23.671 31.347 1.00 43.80 ? 230 ASN B ND2 1 ATOM 4869 N N . TRP B 1 214 ? 39.827 -26.585 30.198 1.00 18.50 ? 231 TRP B N 1 ATOM 4870 C CA . TRP B 1 214 ? 39.140 -27.149 31.346 1.00 20.35 ? 231 TRP B CA 1 ATOM 4871 C C . TRP B 1 214 ? 39.138 -28.673 31.265 1.00 18.80 ? 231 TRP B C 1 ATOM 4872 O O . TRP B 1 214 ? 39.452 -29.365 32.238 1.00 20.32 ? 231 TRP B O 1 ATOM 4873 C CB . TRP B 1 214 ? 37.726 -26.587 31.462 1.00 19.80 ? 231 TRP B CB 1 ATOM 4874 C CG . TRP B 1 214 ? 37.041 -26.968 32.742 1.00 22.09 ? 231 TRP B CG 1 ATOM 4875 C CD1 . TRP B 1 214 ? 37.091 -26.304 33.938 1.00 26.83 ? 231 TRP B CD1 1 ATOM 4876 C CD2 . TRP B 1 214 ? 36.186 -28.094 32.943 1.00 21.61 ? 231 TRP B CD2 1 ATOM 4877 N NE1 . TRP B 1 214 ? 36.318 -26.956 34.870 1.00 23.87 ? 231 TRP B NE1 1 ATOM 4878 C CE2 . TRP B 1 214 ? 35.752 -28.057 34.285 1.00 19.55 ? 231 TRP B CE2 1 ATOM 4879 C CE3 . TRP B 1 214 ? 35.751 -29.132 32.123 1.00 18.77 ? 231 TRP B CE3 1 ATOM 4880 C CZ2 . TRP B 1 214 ? 34.906 -29.034 34.825 1.00 23.58 ? 231 TRP B CZ2 1 ATOM 4881 C CZ3 . TRP B 1 214 ? 34.902 -30.094 32.645 1.00 22.04 ? 231 TRP B CZ3 1 ATOM 4882 C CH2 . TRP B 1 214 ? 34.494 -30.043 33.993 1.00 20.21 ? 231 TRP B CH2 1 ATOM 4883 N N . PHE B 1 215 ? 38.832 -29.220 30.095 1.00 17.94 ? 232 PHE B N 1 ATOM 4884 C CA . PHE B 1 215 ? 38.866 -30.665 29.937 1.00 16.36 ? 232 PHE B CA 1 ATOM 4885 C C . PHE B 1 215 ? 40.268 -31.239 30.152 1.00 22.47 ? 232 PHE B C 1 ATOM 4886 O O . PHE B 1 215 ? 40.407 -32.312 30.730 1.00 22.17 ? 232 PHE B O 1 ATOM 4887 C CB . PHE B 1 215 ? 38.308 -31.079 28.574 1.00 15.87 ? 232 PHE B CB 1 ATOM 4888 C CG . PHE B 1 215 ? 36.820 -31.231 28.567 1.00 19.71 ? 232 PHE B CG 1 ATOM 4889 C CD1 . PHE B 1 215 ? 36.235 -32.486 28.600 1.00 30.21 ? 232 PHE B CD1 1 ATOM 4890 C CD2 . PHE B 1 215 ? 35.989 -30.125 28.553 1.00 16.83 ? 232 PHE B CD2 1 ATOM 4891 C CE1 . PHE B 1 215 ? 34.848 -32.621 28.595 1.00 31.52 ? 232 PHE B CE1 1 ATOM 4892 C CE2 . PHE B 1 215 ? 34.594 -30.263 28.548 1.00 21.37 ? 232 PHE B CE2 1 ATOM 4893 C CZ . PHE B 1 215 ? 34.035 -31.508 28.589 1.00 24.53 ? 232 PHE B CZ 1 ATOM 4894 N N . VAL B 1 216 ? 41.305 -30.535 29.709 1.00 21.03 ? 233 VAL B N 1 ATOM 4895 C CA . VAL B 1 216 ? 42.672 -31.029 29.904 1.00 23.40 ? 233 VAL B CA 1 ATOM 4896 C C . VAL B 1 216 ? 43.089 -30.913 31.351 1.00 25.18 ? 233 VAL B C 1 ATOM 4897 O O . VAL B 1 216 ? 43.699 -31.847 31.893 1.00 25.37 ? 233 VAL B O 1 ATOM 4898 C CB . VAL B 1 216 ? 43.686 -30.327 28.972 1.00 26.69 ? 233 VAL B CB 1 ATOM 4899 C CG1 . VAL B 1 216 ? 45.086 -30.841 29.207 1.00 27.58 ? 233 VAL B CG1 1 ATOM 4900 C CG2 . VAL B 1 216 ? 43.301 -30.598 27.534 1.00 32.80 ? 233 VAL B CG2 1 ATOM 4901 N N . GLU B 1 217 ? 42.778 -29.782 31.992 1.00 19.85 ? 234 GLU B N 1 ATOM 4902 C CA . GLU B 1 217 ? 43.095 -29.597 33.407 1.00 20.70 ? 234 GLU B CA 1 ATOM 4903 C C . GLU B 1 217 ? 42.532 -30.727 34.260 1.00 20.39 ? 234 GLU B C 1 ATOM 4904 O O . GLU B 1 217 ? 43.158 -31.127 35.267 1.00 22.72 ? 234 GLU B O 1 ATOM 4905 C CB . GLU B 1 217 ? 42.525 -28.275 33.905 1.00 24.12 ? 234 GLU B CB 1 ATOM 4906 C CG . GLU B 1 217 ? 43.337 -27.062 33.512 1.00 39.73 ? 234 GLU B CG 1 ATOM 4907 C CD . GLU B 1 217 ? 42.746 -25.772 34.064 1.00 58.22 ? 234 GLU B CD 1 ATOM 4908 O OE1 . GLU B 1 217 ? 41.557 -25.775 34.465 1.00 55.50 ? 234 GLU B OE1 1 ATOM 4909 O OE2 . GLU B 1 217 ? 43.478 -24.759 34.102 1.00 63.63 ? 234 GLU B OE2 1 ATOM 4910 N N . HIS B 1 218 ? 41.365 -31.227 33.887 1.00 20.31 ? 235 HIS B N 1 ATOM 4911 C CA . HIS B 1 218 ? 40.629 -32.207 34.668 1.00 20.72 ? 235 HIS B CA 1 ATOM 4912 C C . HIS B 1 218 ? 40.569 -33.577 34.024 1.00 18.68 ? 235 HIS B C 1 ATOM 4913 O O . HIS B 1 218 ? 39.765 -34.411 34.433 1.00 20.19 ? 235 HIS B O 1 ATOM 4914 C CB . HIS B 1 218 ? 39.237 -31.656 34.993 1.00 19.43 ? 235 HIS B CB 1 ATOM 4915 C CG . HIS B 1 218 ? 39.289 -30.327 35.682 1.00 24.26 ? 235 HIS B CG 1 ATOM 4916 N ND1 . HIS B 1 218 ? 39.815 -30.179 36.950 1.00 25.83 ? 235 HIS B ND1 1 ATOM 4917 C CD2 . HIS B 1 218 ? 38.943 -29.087 35.274 1.00 20.50 ? 235 HIS B CD2 1 ATOM 4918 C CE1 . HIS B 1 218 ? 39.774 -28.903 37.295 1.00 26.38 ? 235 HIS B CE1 1 ATOM 4919 N NE2 . HIS B 1 218 ? 39.246 -28.220 36.299 1.00 23.52 ? 235 HIS B NE2 1 ATOM 4920 N N . GLN B 1 219 ? 41.454 -33.837 33.053 1.00 21.24 ? 236 GLN B N 1 ATOM 4921 C CA . GLN B 1 219 ? 41.388 -35.073 32.291 1.00 17.26 ? 236 GLN B CA 1 ATOM 4922 C C . GLN B 1 219 ? 41.618 -36.342 33.136 1.00 20.18 ? 236 GLN B C 1 ATOM 4923 O O . GLN B 1 219 ? 41.090 -37.396 32.791 1.00 21.61 ? 236 GLN B O 1 ATOM 4924 C CB . GLN B 1 219 ? 42.330 -35.068 31.086 1.00 21.55 ? 236 GLN B CB 1 ATOM 4925 C CG . GLN B 1 219 ? 43.796 -35.047 31.394 1.00 18.66 ? 236 GLN B CG 1 ATOM 4926 C CD . GLN B 1 219 ? 44.657 -35.008 30.145 1.00 20.59 ? 236 GLN B CD 1 ATOM 4927 O OE1 . GLN B 1 219 ? 44.137 -34.833 29.043 1.00 22.38 ? 236 GLN B OE1 1 ATOM 4928 N NE2 . GLN B 1 219 ? 45.958 -35.182 30.302 1.00 21.67 ? 236 GLN B NE2 1 ATOM 4929 N N . ASP B 1 220 ? 42.368 -36.255 34.232 1.00 23.15 ? 237 ASP B N 1 ATOM 4930 C CA . ASP B 1 220 ? 42.543 -37.455 35.066 1.00 25.36 ? 237 ASP B CA 1 ATOM 4931 C C . ASP B 1 220 ? 41.203 -37.932 35.655 1.00 25.64 ? 237 ASP B C 1 ATOM 4932 O O . ASP B 1 220 ? 40.994 -39.137 35.830 1.00 24.58 ? 237 ASP B O 1 ATOM 4933 C CB . ASP B 1 220 ? 43.553 -37.217 36.183 1.00 25.49 ? 237 ASP B CB 1 ATOM 4934 C CG . ASP B 1 220 ? 44.994 -37.116 35.679 1.00 34.73 ? 237 ASP B CG 1 ATOM 4935 O OD1 . ASP B 1 220 ? 45.265 -37.436 34.503 1.00 32.08 ? 237 ASP B OD1 1 ATOM 4936 O OD2 . ASP B 1 220 ? 45.866 -36.720 36.480 1.00 36.71 ? 237 ASP B OD2 1 ATOM 4937 N N . ILE B 1 221 ? 40.311 -36.982 35.942 1.00 23.43 ? 238 ILE B N 1 ATOM 4938 C CA . ILE B 1 221 ? 38.958 -37.278 36.416 1.00 22.17 ? 238 ILE B CA 1 ATOM 4939 C C . ILE B 1 221 ? 38.025 -37.641 35.250 1.00 25.04 ? 238 ILE B C 1 ATOM 4940 O O . ILE B 1 221 ? 37.263 -38.601 35.349 1.00 26.36 ? 238 ILE B O 1 ATOM 4941 C CB . ILE B 1 221 ? 38.362 -36.090 37.230 1.00 24.77 ? 238 ILE B CB 1 ATOM 4942 C CG1 . ILE B 1 221 ? 39.113 -35.937 38.561 1.00 37.16 ? 238 ILE B CG1 1 ATOM 4943 C CG2 . ILE B 1 221 ? 36.874 -36.287 37.478 1.00 31.23 ? 238 ILE B CG2 1 ATOM 4944 C CD1 . ILE B 1 221 ? 38.898 -34.592 39.216 1.00 54.59 ? 238 ILE B CD1 1 ATOM 4945 N N . LEU B 1 222 ? 38.091 -36.889 34.146 1.00 23.23 ? 239 LEU B N 1 ATOM 4946 C CA . LEU B 1 222 ? 37.078 -36.965 33.093 1.00 20.30 ? 239 LEU B CA 1 ATOM 4947 C C . LEU B 1 222 ? 37.322 -38.080 32.068 1.00 15.72 ? 239 LEU B C 1 ATOM 4948 O O . LEU B 1 222 ? 36.385 -38.741 31.611 1.00 20.37 ? 239 LEU B O 1 ATOM 4949 C CB . LEU B 1 222 ? 36.942 -35.610 32.373 1.00 18.55 ? 239 LEU B CB 1 ATOM 4950 C CG . LEU B 1 222 ? 36.538 -34.431 33.256 1.00 21.29 ? 239 LEU B CG 1 ATOM 4951 C CD1 . LEU B 1 222 ? 36.736 -33.127 32.488 1.00 26.18 ? 239 LEU B CD1 1 ATOM 4952 C CD2 . LEU B 1 222 ? 35.099 -34.609 33.763 1.00 27.65 ? 239 LEU B CD2 1 ATOM 4953 N N . GLN B 1 223 ? 38.579 -38.286 31.693 1.00 19.46 ? 240 GLN B N 1 ATOM 4954 C CA . GLN B 1 223 ? 38.902 -39.293 30.689 1.00 18.99 ? 240 GLN B CA 1 ATOM 4955 C C . GLN B 1 223 ? 38.374 -40.695 31.020 1.00 21.57 ? 240 GLN B C 1 ATOM 4956 O O . GLN B 1 223 ? 37.811 -41.341 30.136 1.00 19.91 ? 240 GLN B O 1 ATOM 4957 C CB . GLN B 1 223 ? 40.418 -39.332 30.415 1.00 24.03 ? 240 GLN B CB 1 ATOM 4958 C CG . GLN B 1 223 ? 40.818 -40.278 29.277 1.00 22.82 ? 240 GLN B CG 1 ATOM 4959 C CD . GLN B 1 223 ? 40.875 -41.750 29.700 1.00 24.37 ? 240 GLN B CD 1 ATOM 4960 O OE1 . GLN B 1 223 ? 41.175 -42.079 30.857 1.00 25.59 ? 240 GLN B OE1 1 ATOM 4961 N NE2 . GLN B 1 223 ? 40.590 -42.643 28.755 1.00 21.84 ? 240 GLN B NE2 1 ATOM 4962 N N . PRO B 1 224 ? 38.528 -41.173 32.280 1.00 21.14 ? 241 PRO B N 1 ATOM 4963 C CA . PRO B 1 224 ? 38.113 -42.553 32.525 1.00 23.07 ? 241 PRO B CA 1 ATOM 4964 C C . PRO B 1 224 ? 36.605 -42.803 32.505 1.00 21.99 ? 241 PRO B C 1 ATOM 4965 O O . PRO B 1 224 ? 36.171 -43.967 32.370 1.00 25.03 ? 241 PRO B O 1 ATOM 4966 C CB . PRO B 1 224 ? 38.641 -42.849 33.939 1.00 24.63 ? 241 PRO B CB 1 ATOM 4967 C CG . PRO B 1 224 ? 39.655 -41.815 34.216 1.00 28.32 ? 241 PRO B CG 1 ATOM 4968 C CD . PRO B 1 224 ? 39.249 -40.605 33.430 1.00 23.53 ? 241 PRO B CD 1 ATOM 4969 N N . VAL B 1 225 ? 35.812 -41.746 32.657 1.00 20.16 ? 242 VAL B N 1 ATOM 4970 C CA . VAL B 1 225 ? 34.365 -41.912 32.827 1.00 19.47 ? 242 VAL B CA 1 ATOM 4971 C C . VAL B 1 225 ? 33.653 -42.085 31.493 1.00 23.58 ? 242 VAL B C 1 ATOM 4972 O O . VAL B 1 225 ? 32.535 -42.584 31.469 1.00 25.32 ? 242 VAL B O 1 ATOM 4973 C CB . VAL B 1 225 ? 33.712 -40.769 33.660 1.00 23.80 ? 242 VAL B CB 1 ATOM 4974 C CG1 . VAL B 1 225 ? 34.407 -40.662 35.025 1.00 32.22 ? 242 VAL B CG1 1 ATOM 4975 C CG2 . VAL B 1 225 ? 33.728 -39.434 32.934 1.00 30.23 ? 242 VAL B CG2 1 ATOM 4976 N N . ALA B 1 226 ? 34.302 -41.710 30.396 1.00 20.34 ? 243 ALA B N 1 ATOM 4977 C CA . ALA B 1 226 ? 33.690 -41.852 29.081 1.00 18.13 ? 243 ALA B CA 1 ATOM 4978 C C . ALA B 1 226 ? 33.832 -43.255 28.536 1.00 18.99 ? 243 ALA B C 1 ATOM 4979 O O . ALA B 1 226 ? 34.850 -43.926 28.738 1.00 20.96 ? 243 ALA B O 1 ATOM 4980 C CB . ALA B 1 226 ? 34.329 -40.872 28.087 1.00 18.75 ? 243 ALA B CB 1 ATOM 4981 N N . GLY B 1 227 ? 32.816 -43.693 27.804 1.00 17.92 ? 244 GLY B N 1 ATOM 4982 C CA . GLY B 1 227 ? 32.880 -44.934 27.078 1.00 18.44 ? 244 GLY B CA 1 ATOM 4983 C C . GLY B 1 227 ? 31.547 -45.200 26.414 1.00 17.47 ? 244 GLY B C 1 ATOM 4984 O O . GLY B 1 227 ? 30.633 -44.407 26.555 1.00 19.08 ? 244 GLY B O 1 ATOM 4985 N N . PRO B 1 228 ? 31.423 -46.339 25.709 1.00 19.45 ? 245 PRO B N 1 ATOM 4986 C CA . PRO B 1 228 ? 30.198 -46.686 25.025 1.00 21.75 ? 245 PRO B CA 1 ATOM 4987 C C . PRO B 1 228 ? 28.980 -46.531 25.923 1.00 20.41 ? 245 PRO B C 1 ATOM 4988 O O . PRO B 1 228 ? 28.943 -47.096 27.030 1.00 21.92 ? 245 PRO B O 1 ATOM 4989 C CB . PRO B 1 228 ? 30.431 -48.140 24.625 1.00 21.02 ? 245 PRO B CB 1 ATOM 4990 C CG . PRO B 1 228 ? 31.931 -48.203 24.413 1.00 23.38 ? 245 PRO B CG 1 ATOM 4991 C CD . PRO B 1 228 ? 32.458 -47.377 25.538 1.00 25.70 ? 245 PRO B CD 1 ATOM 4992 N N . GLY B 1 229 ? 28.045 -45.708 25.458 1.00 19.01 ? 246 GLY B N 1 ATOM 4993 C CA . GLY B 1 229 ? 26.797 -45.415 26.134 1.00 21.10 ? 246 GLY B CA 1 ATOM 4994 C C . GLY B 1 229 ? 26.842 -44.298 27.162 1.00 21.46 ? 246 GLY B C 1 ATOM 4995 O O . GLY B 1 229 ? 25.827 -44.003 27.789 1.00 19.26 ? 246 GLY B O 1 ATOM 4996 N N . HIS B 1 230 ? 28.013 -43.702 27.390 1.00 18.57 ? 247 HIS B N 1 ATOM 4997 C CA . HIS B 1 230 ? 28.126 -42.644 28.393 1.00 17.86 ? 247 HIS B CA 1 ATOM 4998 C C . HIS B 1 230 ? 29.327 -41.712 28.168 1.00 17.91 ? 247 HIS B C 1 ATOM 4999 O O . HIS B 1 230 ? 30.456 -42.024 28.542 1.00 19.24 ? 247 HIS B O 1 ATOM 5000 C CB . HIS B 1 230 ? 28.162 -43.264 29.805 1.00 19.17 ? 247 HIS B CB 1 ATOM 5001 C CG . HIS B 1 230 ? 29.206 -44.319 29.996 1.00 21.66 ? 247 HIS B CG 1 ATOM 5002 N ND1 . HIS B 1 230 ? 28.928 -45.669 29.953 1.00 32.07 ? 247 HIS B ND1 1 ATOM 5003 C CD2 . HIS B 1 230 ? 30.530 -44.219 30.256 1.00 20.34 ? 247 HIS B CD2 1 ATOM 5004 C CE1 . HIS B 1 230 ? 30.039 -46.356 30.170 1.00 26.99 ? 247 HIS B CE1 1 ATOM 5005 N NE2 . HIS B 1 230 ? 31.026 -45.499 30.358 1.00 29.10 ? 247 HIS B NE2 1 ATOM 5006 N N . TRP B 1 231 ? 29.053 -40.577 27.532 1.00 18.16 ? 248 TRP B N 1 ATOM 5007 C CA . TRP B 1 231 ? 30.087 -39.665 27.040 1.00 17.39 ? 248 TRP B CA 1 ATOM 5008 C C . TRP B 1 231 ? 30.146 -38.336 27.760 1.00 16.06 ? 248 TRP B C 1 ATOM 5009 O O . TRP B 1 231 ? 29.116 -37.774 28.170 1.00 16.38 ? 248 TRP B O 1 ATOM 5010 C CB . TRP B 1 231 ? 29.831 -39.353 25.550 1.00 15.54 ? 248 TRP B CB 1 ATOM 5011 C CG . TRP B 1 231 ? 29.590 -40.565 24.740 1.00 15.48 ? 248 TRP B CG 1 ATOM 5012 C CD1 . TRP B 1 231 ? 28.381 -41.033 24.302 1.00 16.66 ? 248 TRP B CD1 1 ATOM 5013 C CD2 . TRP B 1 231 ? 30.570 -41.519 24.309 1.00 14.89 ? 248 TRP B CD2 1 ATOM 5014 N NE1 . TRP B 1 231 ? 28.547 -42.226 23.640 1.00 18.09 ? 248 TRP B NE1 1 ATOM 5015 C CE2 . TRP B 1 231 ? 29.876 -42.541 23.611 1.00 16.66 ? 248 TRP B CE2 1 ATOM 5016 C CE3 . TRP B 1 231 ? 31.960 -41.623 24.458 1.00 17.57 ? 248 TRP B CE3 1 ATOM 5017 C CZ2 . TRP B 1 231 ? 30.525 -43.637 23.061 1.00 18.69 ? 248 TRP B CZ2 1 ATOM 5018 C CZ3 . TRP B 1 231 ? 32.609 -42.730 23.913 1.00 17.40 ? 248 TRP B CZ3 1 ATOM 5019 C CH2 . TRP B 1 231 ? 31.884 -43.717 23.212 1.00 19.21 ? 248 TRP B CH2 1 ATOM 5020 N N . ASN B 1 232 ? 31.352 -37.789 27.816 1.00 16.74 ? 249 ASN B N 1 ATOM 5021 C CA . ASN B 1 232 ? 31.531 -36.387 28.168 1.00 15.70 ? 249 ASN B CA 1 ATOM 5022 C C . ASN B 1 232 ? 31.092 -35.560 26.950 1.00 17.16 ? 249 ASN B C 1 ATOM 5023 O O . ASN B 1 232 ? 31.320 -35.958 25.807 1.00 16.65 ? 249 ASN B O 1 ATOM 5024 C CB . ASN B 1 232 ? 32.992 -36.073 28.520 1.00 16.59 ? 249 ASN B CB 1 ATOM 5025 C CG . ASN B 1 232 ? 33.448 -36.711 29.811 1.00 20.34 ? 249 ASN B CG 1 ATOM 5026 O OD1 . ASN B 1 232 ? 32.850 -36.498 30.863 1.00 19.90 ? 249 ASN B OD1 1 ATOM 5027 N ND2 . ASN B 1 232 ? 34.526 -37.480 29.743 1.00 16.91 ? 249 ASN B ND2 1 ATOM 5028 N N . ASP B 1 233 ? 30.501 -34.401 27.191 1.00 13.34 ? 250 ASP B N 1 ATOM 5029 C CA . ASP B 1 233 ? 30.045 -33.525 26.116 1.00 13.90 ? 250 ASP B CA 1 ATOM 5030 C C . ASP B 1 233 ? 30.629 -32.115 26.304 1.00 16.98 ? 250 ASP B C 1 ATOM 5031 O O . ASP B 1 233 ? 30.154 -31.366 27.153 1.00 15.59 ? 250 ASP B O 1 ATOM 5032 C CB . ASP B 1 233 ? 28.521 -33.497 26.144 1.00 17.09 ? 250 ASP B CB 1 ATOM 5033 C CG . ASP B 1 233 ? 27.920 -32.678 25.040 1.00 17.66 ? 250 ASP B CG 1 ATOM 5034 O OD1 . ASP B 1 233 ? 28.693 -32.118 24.199 1.00 17.88 ? 250 ASP B OD1 1 ATOM 5035 O OD2 . ASP B 1 233 ? 26.655 -32.612 25.021 1.00 17.71 ? 250 ASP B OD2 1 ATOM 5036 N N . PRO B 1 234 ? 31.667 -31.758 25.518 1.00 14.41 ? 251 PRO B N 1 ATOM 5037 C CA . PRO B 1 234 ? 32.255 -30.419 25.580 1.00 14.41 ? 251 PRO B CA 1 ATOM 5038 C C . PRO B 1 234 ? 31.496 -29.380 24.752 1.00 14.69 ? 251 PRO B C 1 ATOM 5039 O O . PRO B 1 234 ? 31.971 -28.254 24.632 1.00 14.99 ? 251 PRO B O 1 ATOM 5040 C CB . PRO B 1 234 ? 33.658 -30.613 25.024 1.00 12.80 ? 251 PRO B CB 1 ATOM 5041 C CG . PRO B 1 234 ? 33.579 -31.816 24.143 1.00 17.80 ? 251 PRO B CG 1 ATOM 5042 C CD . PRO B 1 234 ? 32.381 -32.635 24.566 1.00 18.75 ? 251 PRO B CD 1 ATOM 5043 N N . ASP B 1 235 ? 30.330 -29.774 24.244 1.00 14.50 ? 252 ASP B N 1 ATOM 5044 C CA . ASP B 1 235 ? 29.346 -28.916 23.571 1.00 15.56 ? 252 ASP B CA 1 ATOM 5045 C C . ASP B 1 235 ? 29.526 -28.896 22.034 1.00 14.37 ? 252 ASP B C 1 ATOM 5046 O O . ASP B 1 235 ? 30.366 -29.622 21.480 1.00 14.04 ? 252 ASP B O 1 ATOM 5047 C CB . ASP B 1 235 ? 29.281 -27.515 24.228 1.00 14.89 ? 252 ASP B CB 1 ATOM 5048 C CG . ASP B 1 235 ? 27.894 -26.849 24.101 1.00 18.19 ? 252 ASP B CG 1 ATOM 5049 O OD1 . ASP B 1 235 ? 26.954 -27.437 23.518 1.00 16.30 ? 252 ASP B OD1 1 ATOM 5050 O OD2 . ASP B 1 235 ? 27.748 -25.726 24.619 1.00 17.59 ? 252 ASP B OD2 1 ATOM 5051 N N . MET B 1 236 ? 28.699 -28.108 21.357 1.00 14.44 ? 253 MET B N 1 ATOM 5052 C CA . MET B 1 236 ? 28.533 -28.181 19.915 1.00 14.58 ? 253 MET B CA 1 ATOM 5053 C C . MET B 1 236 ? 29.787 -27.784 19.125 1.00 13.83 ? 253 MET B C 1 ATOM 5054 O O . MET B 1 236 ? 30.634 -27.015 19.580 1.00 15.02 ? 253 MET B O 1 ATOM 5055 C CB . MET B 1 236 ? 27.351 -27.286 19.517 1.00 13.53 ? 253 MET B CB 1 ATOM 5056 C CG . MET B 1 236 ? 26.011 -27.792 19.959 1.00 15.76 ? 253 MET B CG 1 ATOM 5057 S SD . MET B 1 236 ? 24.721 -26.533 19.946 1.00 18.38 ? 253 MET B SD 1 ATOM 5058 C CE . MET B 1 236 ? 25.171 -25.590 21.387 1.00 14.64 ? 253 MET B CE 1 ATOM 5059 N N . LEU B 1 237 ? 29.866 -28.308 17.918 1.00 15.44 ? 254 LEU B N 1 ATOM 5060 C CA . LEU B 1 237 ? 30.859 -27.880 16.952 1.00 13.98 ? 254 LEU B CA 1 ATOM 5061 C C . LEU B 1 237 ? 30.450 -26.533 16.376 1.00 13.96 ? 254 LEU B C 1 ATOM 5062 O O . LEU B 1 237 ? 29.264 -26.300 16.113 1.00 16.24 ? 254 LEU B O 1 ATOM 5063 C CB . LEU B 1 237 ? 30.924 -28.897 15.820 1.00 16.19 ? 254 LEU B CB 1 ATOM 5064 C CG . LEU B 1 237 ? 31.382 -30.306 16.194 1.00 15.49 ? 254 LEU B CG 1 ATOM 5065 C CD1 . LEU B 1 237 ? 31.155 -31.247 14.996 1.00 14.77 ? 254 LEU B CD1 1 ATOM 5066 C CD2 . LEU B 1 237 ? 32.814 -30.340 16.658 1.00 15.27 ? 254 LEU B CD2 1 ATOM 5067 N N . LEU B 1 238 ? 31.440 -25.677 16.127 1.00 13.08 ? 255 LEU B N 1 ATOM 5068 C CA . LEU B 1 238 ? 31.235 -24.326 15.632 1.00 13.44 ? 255 LEU B CA 1 ATOM 5069 C C . LEU B 1 238 ? 31.502 -24.241 14.130 1.00 13.57 ? 255 LEU B C 1 ATOM 5070 O O . LEU B 1 238 ? 31.337 -23.180 13.511 1.00 15.24 ? 255 LEU B O 1 ATOM 5071 C CB . LEU B 1 238 ? 32.182 -23.345 16.330 1.00 13.69 ? 255 LEU B CB 1 ATOM 5072 C CG . LEU B 1 238 ? 31.980 -23.189 17.829 1.00 13.59 ? 255 LEU B CG 1 ATOM 5073 C CD1 . LEU B 1 238 ? 33.100 -22.286 18.390 1.00 13.28 ? 255 LEU B CD1 1 ATOM 5074 C CD2 . LEU B 1 238 ? 30.607 -22.636 18.166 1.00 14.27 ? 255 LEU B CD2 1 ATOM 5075 N N . ILE B 1 239 ? 31.922 -25.362 13.550 1.00 15.20 ? 256 ILE B N 1 ATOM 5076 C CA . ILE B 1 239 ? 32.349 -25.395 12.157 1.00 13.74 ? 256 ILE B CA 1 ATOM 5077 C C . ILE B 1 239 ? 31.186 -25.023 11.250 1.00 15.46 ? 256 ILE B C 1 ATOM 5078 O O . ILE B 1 239 ? 30.092 -25.575 11.364 1.00 15.64 ? 256 ILE B O 1 ATOM 5079 C CB . ILE B 1 239 ? 32.940 -26.776 11.780 1.00 14.16 ? 256 ILE B CB 1 ATOM 5080 C CG1 . ILE B 1 239 ? 34.165 -27.063 12.669 1.00 15.96 ? 256 ILE B CG1 1 ATOM 5081 C CG2 . ILE B 1 239 ? 33.332 -26.826 10.302 1.00 16.64 ? 256 ILE B CG2 1 ATOM 5082 C CD1 . ILE B 1 239 ? 34.316 -28.468 13.065 1.00 16.31 ? 256 ILE B CD1 1 ATOM 5083 N N . GLY B 1 240 ? 31.440 -24.057 10.387 1.00 13.49 ? 257 GLY B N 1 ATOM 5084 C CA . GLY B 1 240 ? 30.407 -23.551 9.482 1.00 14.10 ? 257 GLY B CA 1 ATOM 5085 C C . GLY B 1 240 ? 29.907 -22.157 9.856 1.00 14.81 ? 257 GLY B C 1 ATOM 5086 O O . GLY B 1 240 ? 29.219 -21.515 9.051 1.00 18.40 ? 257 GLY B O 1 ATOM 5087 N N . ASN B 1 241 ? 30.281 -21.660 11.036 1.00 15.03 ? 258 ASN B N 1 ATOM 5088 C CA . ASN B 1 241 ? 29.747 -20.395 11.517 1.00 14.78 ? 258 ASN B CA 1 ATOM 5089 C C . ASN B 1 241 ? 30.737 -19.240 11.325 1.00 18.91 ? 258 ASN B C 1 ATOM 5090 O O . ASN B 1 241 ? 31.375 -19.187 10.275 1.00 20.16 ? 258 ASN B O 1 ATOM 5091 C CB . ASN B 1 241 ? 29.219 -20.567 12.940 1.00 17.08 ? 258 ASN B CB 1 ATOM 5092 C CG . ASN B 1 241 ? 28.144 -21.614 13.006 1.00 14.99 ? 258 ASN B CG 1 ATOM 5093 O OD1 . ASN B 1 241 ? 27.323 -21.714 12.078 1.00 18.45 ? 258 ASN B OD1 1 ATOM 5094 N ND2 . ASN B 1 241 ? 28.147 -22.422 14.067 1.00 16.09 ? 258 ASN B ND2 1 ATOM 5095 N N . PHE B 1 242 ? 30.850 -18.315 12.279 1.00 15.43 ? 259 PHE B N 1 ATOM 5096 C CA . PHE B 1 242 ? 31.491 -17.027 12.000 1.00 15.39 ? 259 PHE B CA 1 ATOM 5097 C C . PHE B 1 242 ? 32.807 -16.800 12.667 1.00 15.10 ? 259 PHE B C 1 ATOM 5098 O O . PHE B 1 242 ? 33.630 -16.006 12.194 1.00 15.72 ? 259 PHE B O 1 ATOM 5099 C CB . PHE B 1 242 ? 30.536 -15.894 12.393 1.00 16.70 ? 259 PHE B CB 1 ATOM 5100 C CG . PHE B 1 242 ? 29.161 -16.014 11.772 1.00 15.51 ? 259 PHE B CG 1 ATOM 5101 C CD1 . PHE B 1 242 ? 28.916 -15.496 10.514 1.00 17.91 ? 259 PHE B CD1 1 ATOM 5102 C CD2 . PHE B 1 242 ? 28.123 -16.647 12.440 1.00 19.07 ? 259 PHE B CD2 1 ATOM 5103 C CE1 . PHE B 1 242 ? 27.639 -15.610 9.927 1.00 20.59 ? 259 PHE B CE1 1 ATOM 5104 C CE2 . PHE B 1 242 ? 26.868 -16.762 11.865 1.00 20.61 ? 259 PHE B CE2 1 ATOM 5105 C CZ . PHE B 1 242 ? 26.631 -16.243 10.605 1.00 20.39 ? 259 PHE B CZ 1 ATOM 5106 N N . GLY B 1 243 ? 32.979 -17.464 13.800 1.00 13.11 ? 260 GLY B N 1 ATOM 5107 C CA . GLY B 1 243 ? 34.061 -17.135 14.736 1.00 13.64 ? 260 GLY B CA 1 ATOM 5108 C C . GLY B 1 243 ? 35.388 -17.843 14.522 1.00 14.82 ? 260 GLY B C 1 ATOM 5109 O O . GLY B 1 243 ? 36.426 -17.344 14.972 1.00 15.29 ? 260 GLY B O 1 ATOM 5110 N N . LEU B 1 244 ? 35.355 -19.036 13.940 1.00 14.65 ? 261 LEU B N 1 ATOM 5111 C CA . LEU B 1 244 ? 36.584 -19.814 13.749 1.00 14.68 ? 261 LEU B CA 1 ATOM 5112 C C . LEU B 1 244 ? 37.143 -19.631 12.355 1.00 12.76 ? 261 LEU B C 1 ATOM 5113 O O . LEU B 1 244 ? 36.411 -19.701 11.350 1.00 13.88 ? 261 LEU B O 1 ATOM 5114 C CB . LEU B 1 244 ? 36.365 -21.308 13.998 1.00 14.80 ? 261 LEU B CB 1 ATOM 5115 C CG . LEU B 1 244 ? 35.780 -21.725 15.328 1.00 12.89 ? 261 LEU B CG 1 ATOM 5116 C CD1 . LEU B 1 244 ? 35.902 -23.229 15.539 1.00 12.32 ? 261 LEU B CD1 1 ATOM 5117 C CD2 . LEU B 1 244 ? 36.471 -20.964 16.457 1.00 12.90 ? 261 LEU B CD2 1 ATOM 5118 N N . SER B 1 245 ? 38.452 -19.451 12.275 1.00 14.00 ? 262 SER B N 1 ATOM 5119 C CA . SER B 1 245 ? 39.182 -19.494 11.021 1.00 12.83 ? 262 SER B CA 1 ATOM 5120 C C . SER B 1 245 ? 39.242 -20.935 10.529 1.00 13.07 ? 262 SER B C 1 ATOM 5121 O O . SER B 1 245 ? 38.830 -21.852 11.244 1.00 12.66 ? 262 SER B O 1 ATOM 5122 C CB . SER B 1 245 ? 40.604 -18.966 11.222 1.00 15.01 ? 262 SER B CB 1 ATOM 5123 O OG . SER B 1 245 ? 41.333 -19.923 11.976 1.00 13.11 ? 262 SER B OG 1 ATOM 5124 N N . LEU B 1 246 ? 39.754 -21.130 9.310 1.00 14.57 ? 263 LEU B N 1 ATOM 5125 C CA . LEU B 1 246 ? 39.915 -22.481 8.751 1.00 16.02 ? 263 LEU B CA 1 ATOM 5126 C C . LEU B 1 246 ? 40.769 -23.372 9.664 1.00 12.79 ? 263 LEU B C 1 ATOM 5127 O O . LEU B 1 246 ? 40.374 -24.501 9.958 1.00 12.89 ? 263 LEU B O 1 ATOM 5128 C CB . LEU B 1 246 ? 40.510 -22.411 7.349 1.00 15.10 ? 263 LEU B CB 1 ATOM 5129 C CG . LEU B 1 246 ? 40.833 -23.738 6.673 1.00 18.37 ? 263 LEU B CG 1 ATOM 5130 C CD1 . LEU B 1 246 ? 39.544 -24.552 6.481 1.00 16.63 ? 263 LEU B CD1 1 ATOM 5131 C CD2 . LEU B 1 246 ? 41.527 -23.448 5.340 1.00 19.14 ? 263 LEU B CD2 1 ATOM 5132 N N . GLU B 1 247 ? 41.922 -22.862 10.121 1.00 12.79 ? 264 GLU B N 1 ATOM 5133 C CA . GLU B 1 247 ? 42.808 -23.680 10.955 1.00 12.09 ? 264 GLU B CA 1 ATOM 5134 C C . GLU B 1 247 ? 42.105 -24.061 12.265 1.00 13.07 ? 264 GLU B C 1 ATOM 5135 O O . GLU B 1 247 ? 42.185 -25.201 12.739 1.00 12.29 ? 264 GLU B O 1 ATOM 5136 C CB . GLU B 1 247 ? 44.092 -22.932 11.271 1.00 14.53 ? 264 GLU B CB 1 ATOM 5137 C CG . GLU B 1 247 ? 45.069 -22.795 10.143 1.00 15.17 ? 264 GLU B CG 1 ATOM 5138 C CD . GLU B 1 247 ? 45.655 -24.126 9.656 1.00 17.99 ? 264 GLU B CD 1 ATOM 5139 O OE1 . GLU B 1 247 ? 45.951 -24.224 8.444 1.00 22.39 ? 264 GLU B OE1 1 ATOM 5140 O OE2 . GLU B 1 247 ? 45.817 -25.040 10.480 1.00 18.72 ? 264 GLU B OE2 1 ATOM 5141 N N . GLN B 1 248 ? 41.371 -23.101 12.833 1.00 12.78 ? 265 GLN B N 1 ATOM 5142 C CA . GLN B 1 248 ? 40.647 -23.316 14.079 1.00 11.51 ? 265 GLN B CA 1 ATOM 5143 C C . GLN B 1 248 ? 39.482 -24.297 13.926 1.00 12.03 ? 265 GLN B C 1 ATOM 5144 O O . GLN B 1 248 ? 39.200 -25.090 14.838 1.00 13.26 ? 265 GLN B O 1 ATOM 5145 C CB . GLN B 1 248 ? 40.145 -21.976 14.603 1.00 11.53 ? 265 GLN B CB 1 ATOM 5146 C CG . GLN B 1 248 ? 41.294 -21.088 15.093 1.00 14.68 ? 265 GLN B CG 1 ATOM 5147 C CD . GLN B 1 248 ? 40.984 -19.587 15.024 1.00 16.27 ? 265 GLN B CD 1 ATOM 5148 O OE1 . GLN B 1 248 ? 39.814 -19.179 14.878 1.00 12.89 ? 265 GLN B OE1 1 ATOM 5149 N NE2 . GLN B 1 248 ? 42.043 -18.766 15.100 1.00 12.35 ? 265 GLN B NE2 1 ATOM 5150 N N . SER B 1 249 ? 38.826 -24.245 12.773 1.00 12.03 ? 266 SER B N 1 ATOM 5151 C CA . SER B 1 249 ? 37.740 -25.177 12.463 1.00 13.25 ? 266 SER B CA 1 ATOM 5152 C C . SER B 1 249 ? 38.269 -26.608 12.367 1.00 11.14 ? 266 SER B C 1 ATOM 5153 O O . SER B 1 249 ? 37.712 -27.544 12.952 1.00 13.28 ? 266 SER B O 1 ATOM 5154 C CB . SER B 1 249 ? 37.078 -24.758 11.160 1.00 15.55 ? 266 SER B CB 1 ATOM 5155 O OG . SER B 1 249 ? 36.480 -23.470 11.271 1.00 14.90 ? 266 SER B OG 1 ATOM 5156 N N . ARG B 1 250 ? 39.382 -26.771 11.651 1.00 12.94 ? 267 ARG B N 1 ATOM 5157 C CA . ARG B 1 250 ? 40.022 -28.081 11.552 1.00 13.65 ? 267 ARG B CA 1 ATOM 5158 C C . ARG B 1 250 ? 40.483 -28.541 12.926 1.00 12.99 ? 267 ARG B C 1 ATOM 5159 O O . ARG B 1 250 ? 40.397 -29.727 13.229 1.00 12.54 ? 267 ARG B O 1 ATOM 5160 C CB . ARG B 1 250 ? 41.190 -28.042 10.581 1.00 13.82 ? 267 ARG B CB 1 ATOM 5161 C CG . ARG B 1 250 ? 40.733 -27.965 9.135 1.00 14.30 ? 267 ARG B CG 1 ATOM 5162 C CD . ARG B 1 250 ? 41.884 -28.028 8.156 1.00 17.89 ? 267 ARG B CD 1 ATOM 5163 N NE . ARG B 1 250 ? 41.358 -28.024 6.791 1.00 20.41 ? 267 ARG B NE 1 ATOM 5164 C CZ . ARG B 1 250 ? 41.875 -27.338 5.772 1.00 22.71 ? 267 ARG B CZ 1 ATOM 5165 N NH1 . ARG B 1 250 ? 42.966 -26.602 5.918 1.00 25.38 ? 267 ARG B NH1 1 ATOM 5166 N NH2 . ARG B 1 250 ? 41.285 -27.385 4.581 1.00 21.27 ? 267 ARG B NH2 1 ATOM 5167 N N . ALA B 1 251 ? 40.933 -27.610 13.751 1.00 13.33 ? 268 ALA B N 1 ATOM 5168 C CA . ALA B 1 251 ? 41.414 -27.945 15.091 1.00 13.39 ? 268 ALA B CA 1 ATOM 5169 C C . ALA B 1 251 ? 40.264 -28.441 15.964 1.00 13.24 ? 268 ALA B C 1 ATOM 5170 O O . ALA B 1 251 ? 40.398 -29.437 16.696 1.00 12.14 ? 268 ALA B O 1 ATOM 5171 C CB . ALA B 1 251 ? 42.094 -26.748 15.772 1.00 11.95 ? 268 ALA B CB 1 ATOM 5172 N N . GLN B 1 252 ? 39.138 -27.732 15.951 1.00 11.33 ? 269 GLN B N 1 ATOM 5173 C CA . GLN B 1 252 ? 38.038 -28.157 16.801 1.00 12.31 ? 269 GLN B CA 1 ATOM 5174 C C . GLN B 1 252 ? 37.574 -29.573 16.427 1.00 11.63 ? 269 GLN B C 1 ATOM 5175 O O . GLN B 1 252 ? 37.336 -30.411 17.305 1.00 11.63 ? 269 GLN B O 1 ATOM 5176 C CB . GLN B 1 252 ? 36.850 -27.189 16.806 1.00 14.02 ? 269 GLN B CB 1 ATOM 5177 C CG . GLN B 1 252 ? 35.898 -27.527 17.940 1.00 14.63 ? 269 GLN B CG 1 ATOM 5178 C CD . GLN B 1 252 ? 34.513 -26.870 17.853 1.00 14.60 ? 269 GLN B CD 1 ATOM 5179 O OE1 . GLN B 1 252 ? 34.094 -26.392 16.778 1.00 12.60 ? 269 GLN B OE1 1 ATOM 5180 N NE2 . GLN B 1 252 ? 33.765 -26.921 18.971 1.00 12.42 ? 269 GLN B NE2 1 ATOM 5181 N N . MET B 1 253 ? 37.460 -29.855 15.134 1.00 13.10 ? 270 MET B N 1 ATOM 5182 C CA . MET B 1 253 ? 37.016 -31.164 14.708 1.00 14.89 ? 270 MET B CA 1 ATOM 5183 C C . MET B 1 253 ? 37.971 -32.246 15.210 1.00 12.67 ? 270 MET B C 1 ATOM 5184 O O . MET B 1 253 ? 37.532 -33.282 15.724 1.00 12.91 ? 270 MET B O 1 ATOM 5185 C CB . MET B 1 253 ? 36.941 -31.198 13.190 1.00 12.66 ? 270 MET B CB 1 ATOM 5186 C CG . MET B 1 253 ? 36.329 -32.463 12.576 1.00 14.82 ? 270 MET B CG 1 ATOM 5187 S SD . MET B 1 253 ? 34.588 -32.495 12.903 1.00 16.57 ? 270 MET B SD 1 ATOM 5188 C CE . MET B 1 253 ? 34.138 -34.103 12.166 1.00 16.99 ? 270 MET B CE 1 ATOM 5189 N N . ALA B 1 254 ? 39.268 -32.003 15.049 1.00 13.52 ? 271 ALA B N 1 ATOM 5190 C CA . ALA B 1 254 ? 40.293 -32.971 15.470 1.00 13.47 ? 271 ALA B CA 1 ATOM 5191 C C . ALA B 1 254 ? 40.290 -33.193 16.961 1.00 15.61 ? 271 ALA B C 1 ATOM 5192 O O . ALA B 1 254 ? 40.405 -34.339 17.436 1.00 14.88 ? 271 ALA B O 1 ATOM 5193 C CB . ALA B 1 254 ? 41.668 -32.532 15.012 1.00 13.66 ? 271 ALA B CB 1 ATOM 5194 N N . LEU B 1 255 ? 40.187 -32.109 17.724 1.00 12.40 ? 272 LEU B N 1 ATOM 5195 C CA . LEU B 1 255 ? 40.297 -32.220 19.183 1.00 11.90 ? 272 LEU B CA 1 ATOM 5196 C C . LEU B 1 255 ? 39.011 -32.842 19.773 1.00 12.81 ? 272 LEU B C 1 ATOM 5197 O O . LEU B 1 255 ? 39.065 -33.664 20.688 1.00 14.07 ? 272 LEU B O 1 ATOM 5198 C CB . LEU B 1 255 ? 40.622 -30.865 19.793 1.00 12.69 ? 272 LEU B CB 1 ATOM 5199 C CG . LEU B 1 255 ? 42.054 -30.403 19.516 1.00 12.97 ? 272 LEU B CG 1 ATOM 5200 C CD1 . LEU B 1 255 ? 42.152 -28.884 19.675 1.00 17.25 ? 272 LEU B CD1 1 ATOM 5201 C CD2 . LEU B 1 255 ? 43.073 -31.120 20.406 1.00 17.41 ? 272 LEU B CD2 1 ATOM 5202 N N . TRP B 1 256 ? 37.859 -32.480 19.248 1.00 11.87 ? 273 TRP B N 1 ATOM 5203 C CA . TRP B 1 256 ? 36.600 -33.110 19.694 1.00 13.54 ? 273 TRP B CA 1 ATOM 5204 C C . TRP B 1 256 ? 36.676 -34.619 19.398 1.00 16.60 ? 273 TRP B C 1 ATOM 5205 O O . TRP B 1 256 ? 36.285 -35.451 20.235 1.00 16.49 ? 273 TRP B O 1 ATOM 5206 C CB . TRP B 1 256 ? 35.374 -32.466 19.044 1.00 15.17 ? 273 TRP B CB 1 ATOM 5207 C CG . TRP B 1 256 ? 34.662 -31.427 19.867 1.00 12.90 ? 273 TRP B CG 1 ATOM 5208 C CD1 . TRP B 1 256 ? 33.326 -31.369 20.091 1.00 15.98 ? 273 TRP B CD1 1 ATOM 5209 C CD2 . TRP B 1 256 ? 35.229 -30.313 20.579 1.00 11.64 ? 273 TRP B CD2 1 ATOM 5210 N NE1 . TRP B 1 256 ? 33.019 -30.300 20.894 1.00 16.76 ? 273 TRP B NE1 1 ATOM 5211 C CE2 . TRP B 1 256 ? 34.155 -29.608 21.171 1.00 11.72 ? 273 TRP B CE2 1 ATOM 5212 C CE3 . TRP B 1 256 ? 36.532 -29.809 20.741 1.00 12.89 ? 273 TRP B CE3 1 ATOM 5213 C CZ2 . TRP B 1 256 ? 34.348 -28.462 21.957 1.00 11.84 ? 273 TRP B CZ2 1 ATOM 5214 C CZ3 . TRP B 1 256 ? 36.714 -28.666 21.498 1.00 15.14 ? 273 TRP B CZ3 1 ATOM 5215 C CH2 . TRP B 1 256 ? 35.615 -28.014 22.110 1.00 14.62 ? 273 TRP B CH2 1 ATOM 5216 N N . THR B 1 257 ? 37.241 -34.970 18.240 1.00 13.91 ? 274 THR B N 1 ATOM 5217 C CA . THR B 1 257 ? 37.405 -36.357 17.858 1.00 15.62 ? 274 THR B CA 1 ATOM 5218 C C . THR B 1 257 ? 38.308 -37.110 18.809 1.00 14.66 ? 274 THR B C 1 ATOM 5219 O O . THR B 1 257 ? 37.956 -38.215 19.227 1.00 15.68 ? 274 THR B O 1 ATOM 5220 C CB . THR B 1 257 ? 37.865 -36.464 16.394 1.00 16.76 ? 274 THR B CB 1 ATOM 5221 O OG1 . THR B 1 257 ? 36.787 -36.011 15.595 1.00 16.91 ? 274 THR B OG1 1 ATOM 5222 C CG2 . THR B 1 257 ? 38.251 -37.926 15.986 1.00 15.86 ? 274 THR B CG2 1 ATOM 5223 N N A VAL B 1 258 ? 39.457 -36.551 19.172 0.50 16.65 ? 275 VAL B N 1 ATOM 5224 N N B VAL B 1 258 ? 39.456 -36.524 19.159 0.50 14.08 ? 275 VAL B N 1 ATOM 5225 C CA A VAL B 1 258 ? 40.326 -37.265 20.109 0.50 19.63 ? 275 VAL B CA 1 ATOM 5226 C CA B VAL B 1 258 ? 40.393 -37.161 20.097 0.50 16.60 ? 275 VAL B CA 1 ATOM 5227 C C A VAL B 1 258 ? 39.738 -37.328 21.520 0.50 21.61 ? 275 VAL B C 1 ATOM 5228 C C B VAL B 1 258 ? 39.802 -37.270 21.517 0.50 18.68 ? 275 VAL B C 1 ATOM 5229 O O A VAL B 1 258 ? 40.050 -38.242 22.269 0.50 16.35 ? 275 VAL B O 1 ATOM 5230 O O B VAL B 1 258 ? 40.198 -38.149 22.274 0.50 20.03 ? 275 VAL B O 1 ATOM 5231 C CB A VAL B 1 258 ? 41.767 -36.732 20.119 0.50 25.09 ? 275 VAL B CB 1 ATOM 5232 C CB B VAL B 1 258 ? 41.777 -36.439 20.124 0.50 18.60 ? 275 VAL B CB 1 ATOM 5233 C CG1 A VAL B 1 258 ? 42.384 -36.934 18.742 0.50 21.14 ? 275 VAL B CG1 1 ATOM 5234 C CG1 B VAL B 1 258 ? 41.814 -35.395 21.216 0.50 21.59 ? 275 VAL B CG1 1 ATOM 5235 C CG2 A VAL B 1 258 ? 41.828 -35.279 20.577 0.50 16.53 ? 275 VAL B CG2 1 ATOM 5236 C CG2 B VAL B 1 258 ? 42.945 -37.454 20.319 0.50 15.19 ? 275 VAL B CG2 1 ATOM 5237 N N . LEU B 1 259 ? 38.842 -36.401 21.858 1.00 17.13 ? 276 LEU B N 1 ATOM 5238 C CA . LEU B 1 259 ? 38.168 -36.430 23.157 1.00 16.12 ? 276 LEU B CA 1 ATOM 5239 C C . LEU B 1 259 ? 36.938 -37.339 23.176 1.00 15.52 ? 276 LEU B C 1 ATOM 5240 O O . LEU B 1 259 ? 36.223 -37.362 24.162 1.00 15.65 ? 276 LEU B O 1 ATOM 5241 C CB . LEU B 1 259 ? 37.776 -35.011 23.590 1.00 16.19 ? 276 LEU B CB 1 ATOM 5242 C CG . LEU B 1 259 ? 38.924 -34.047 23.880 1.00 19.43 ? 276 LEU B CG 1 ATOM 5243 C CD1 . LEU B 1 259 ? 38.348 -32.627 24.091 1.00 22.29 ? 276 LEU B CD1 1 ATOM 5244 C CD2 . LEU B 1 259 ? 39.685 -34.548 25.101 1.00 23.25 ? 276 LEU B CD2 1 ATOM 5245 N N . ALA B 1 260 ? 36.660 -38.063 22.087 1.00 14.36 ? 277 ALA B N 1 ATOM 5246 C CA . ALA B 1 260 ? 35.470 -38.916 22.007 1.00 14.53 ? 277 ALA B CA 1 ATOM 5247 C C . ALA B 1 260 ? 34.219 -38.102 22.319 1.00 15.87 ? 277 ALA B C 1 ATOM 5248 O O . ALA B 1 260 ? 33.303 -38.547 23.009 1.00 15.91 ? 277 ALA B O 1 ATOM 5249 C CB . ALA B 1 260 ? 35.587 -40.148 22.946 1.00 16.68 ? 277 ALA B CB 1 ATOM 5250 N N . ALA B 1 261 ? 34.162 -36.889 21.773 1.00 14.76 ? 278 ALA B N 1 ATOM 5251 C CA . ALA B 1 261 ? 33.008 -36.019 21.959 1.00 14.07 ? 278 ALA B CA 1 ATOM 5252 C C . ALA B 1 261 ? 31.906 -36.320 20.960 1.00 13.66 ? 278 ALA B C 1 ATOM 5253 O O . ALA B 1 261 ? 32.150 -36.817 19.850 1.00 14.74 ? 278 ALA B O 1 ATOM 5254 C CB . ALA B 1 261 ? 33.436 -34.560 21.799 1.00 13.73 ? 278 ALA B CB 1 ATOM 5255 N N . PRO B 1 262 ? 30.669 -35.979 21.334 1.00 15.72 ? 279 PRO B N 1 ATOM 5256 C CA . PRO B 1 262 ? 29.639 -35.879 20.327 1.00 13.20 ? 279 PRO B CA 1 ATOM 5257 C C . PRO B 1 262 ? 30.089 -34.990 19.182 1.00 15.16 ? 279 PRO B C 1 ATOM 5258 O O . PRO B 1 262 ? 30.850 -34.040 19.382 1.00 15.08 ? 279 PRO B O 1 ATOM 5259 C CB . PRO B 1 262 ? 28.476 -35.230 21.077 1.00 14.53 ? 279 PRO B CB 1 ATOM 5260 C CG . PRO B 1 262 ? 28.734 -35.516 22.541 1.00 17.25 ? 279 PRO B CG 1 ATOM 5261 C CD . PRO B 1 262 ? 30.219 -35.447 22.636 1.00 16.65 ? 279 PRO B CD 1 ATOM 5262 N N . LEU B 1 263 ? 29.631 -35.310 17.974 1.00 14.34 ? 280 LEU B N 1 ATOM 5263 C CA . LEU B 1 263 ? 29.815 -34.425 16.825 1.00 19.76 ? 280 LEU B CA 1 ATOM 5264 C C . LEU B 1 263 ? 28.450 -33.848 16.490 1.00 16.21 ? 280 LEU B C 1 ATOM 5265 O O . LEU B 1 263 ? 27.753 -34.282 15.567 1.00 17.52 ? 280 LEU B O 1 ATOM 5266 C CB . LEU B 1 263 ? 30.393 -35.169 15.633 1.00 15.75 ? 280 LEU B CB 1 ATOM 5267 C CG . LEU B 1 263 ? 31.773 -35.808 15.872 1.00 16.60 ? 280 LEU B CG 1 ATOM 5268 C CD1 . LEU B 1 263 ? 32.215 -36.599 14.644 1.00 18.20 ? 280 LEU B CD1 1 ATOM 5269 C CD2 . LEU B 1 263 ? 32.849 -34.769 16.253 1.00 17.17 ? 280 LEU B CD2 1 ATOM 5270 N N . LEU B 1 264 ? 28.068 -32.871 17.300 1.00 15.13 ? 281 LEU B N 1 ATOM 5271 C CA . LEU B 1 264 ? 26.791 -32.203 17.151 1.00 16.39 ? 281 LEU B CA 1 ATOM 5272 C C . LEU B 1 264 ? 27.035 -30.829 16.562 1.00 17.32 ? 281 LEU B C 1 ATOM 5273 O O . LEU B 1 264 ? 27.469 -29.898 17.219 1.00 16.15 ? 281 LEU B O 1 ATOM 5274 C CB . LEU B 1 264 ? 26.031 -32.143 18.461 1.00 15.50 ? 281 LEU B CB 1 ATOM 5275 C CG . LEU B 1 264 ? 25.563 -33.528 18.921 1.00 17.31 ? 281 LEU B CG 1 ATOM 5276 C CD1 . LEU B 1 264 ? 25.159 -33.501 20.429 1.00 23.08 ? 281 LEU B CD1 1 ATOM 5277 C CD2 . LEU B 1 264 ? 24.446 -34.085 18.053 1.00 18.95 ? 281 LEU B CD2 1 ATOM 5278 N N . MET B 1 265 ? 26.780 -30.740 15.277 1.00 15.29 ? 282 MET B N 1 ATOM 5279 C CA . MET B 1 265 ? 26.928 -29.504 14.556 1.00 17.20 ? 282 MET B CA 1 ATOM 5280 C C . MET B 1 265 ? 25.813 -28.564 14.939 1.00 17.88 ? 282 MET B C 1 ATOM 5281 O O . MET B 1 265 ? 24.767 -28.972 15.452 1.00 18.18 ? 282 MET B O 1 ATOM 5282 C CB . MET B 1 265 ? 26.755 -29.755 13.061 1.00 20.93 ? 282 MET B CB 1 ATOM 5283 C CG . MET B 1 265 ? 27.616 -30.832 12.435 1.00 21.84 ? 282 MET B CG 1 ATOM 5284 S SD . MET B 1 265 ? 27.228 -30.941 10.635 1.00 22.50 ? 282 MET B SD 1 ATOM 5285 C CE . MET B 1 265 ? 25.686 -31.911 10.547 1.00 20.98 ? 282 MET B CE 1 ATOM 5286 N N . SER B 1 266 ? 26.016 -27.288 14.637 1.00 17.91 ? 283 SER B N 1 ATOM 5287 C CA . SER B 1 266 ? 24.979 -26.282 14.818 1.00 15.37 ? 283 SER B CA 1 ATOM 5288 C C . SER B 1 266 ? 25.343 -25.139 13.908 1.00 19.00 ? 283 SER B C 1 ATOM 5289 O O . SER B 1 266 ? 26.058 -24.220 14.291 1.00 17.28 ? 283 SER B O 1 ATOM 5290 C CB . SER B 1 266 ? 24.901 -25.818 16.259 1.00 17.85 ? 283 SER B CB 1 ATOM 5291 O OG . SER B 1 266 ? 23.798 -24.960 16.476 1.00 18.37 ? 283 SER B OG 1 ATOM 5292 N N . THR B 1 267 ? 24.846 -25.235 12.682 1.00 19.31 ? 284 THR B N 1 ATOM 5293 C CA . THR B 1 267 ? 25.270 -24.348 11.611 1.00 17.90 ? 284 THR B CA 1 ATOM 5294 C C . THR B 1 267 ? 24.232 -24.415 10.500 1.00 20.55 ? 284 THR B C 1 ATOM 5295 O O . THR B 1 267 ? 23.402 -25.336 10.478 1.00 21.29 ? 284 THR B O 1 ATOM 5296 C CB . THR B 1 267 ? 26.681 -24.723 11.089 1.00 16.58 ? 284 THR B CB 1 ATOM 5297 O OG1 . THR B 1 267 ? 27.162 -23.674 10.237 1.00 18.48 ? 284 THR B OG1 1 ATOM 5298 C CG2 . THR B 1 267 ? 26.698 -26.076 10.357 1.00 20.00 ? 284 THR B CG2 1 ATOM 5299 N N . ASP B 1 268 ? 24.229 -23.437 9.590 1.00 18.72 ? 285 ASP B N 1 ATOM 5300 C CA . ASP B 1 268 ? 23.235 -23.437 8.535 1.00 20.26 ? 285 ASP B CA 1 ATOM 5301 C C . ASP B 1 268 ? 23.670 -24.384 7.422 1.00 23.76 ? 285 ASP B C 1 ATOM 5302 O O . ASP B 1 268 ? 24.513 -24.036 6.593 1.00 21.29 ? 285 ASP B O 1 ATOM 5303 C CB . ASP B 1 268 ? 23.025 -22.028 8.002 1.00 21.43 ? 285 ASP B CB 1 ATOM 5304 C CG . ASP B 1 268 ? 21.783 -21.925 7.136 1.00 23.35 ? 285 ASP B CG 1 ATOM 5305 O OD1 . ASP B 1 268 ? 21.329 -22.990 6.650 1.00 25.20 ? 285 ASP B OD1 1 ATOM 5306 O OD2 . ASP B 1 268 ? 21.278 -20.796 6.931 1.00 27.55 ? 285 ASP B OD2 1 ATOM 5307 N N . LEU B 1 269 ? 23.076 -25.575 7.390 1.00 21.77 ? 286 LEU B N 1 ATOM 5308 C CA . LEU B 1 269 ? 23.479 -26.602 6.423 1.00 17.97 ? 286 LEU B CA 1 ATOM 5309 C C . LEU B 1 269 ? 23.056 -26.235 5.006 1.00 21.14 ? 286 LEU B C 1 ATOM 5310 O O . LEU B 1 269 ? 23.536 -26.840 4.035 1.00 25.58 ? 286 LEU B O 1 ATOM 5311 C CB . LEU B 1 269 ? 22.848 -27.946 6.798 1.00 20.73 ? 286 LEU B CB 1 ATOM 5312 C CG . LEU B 1 269 ? 23.237 -28.598 8.122 1.00 22.45 ? 286 LEU B CG 1 ATOM 5313 C CD1 . LEU B 1 269 ? 22.489 -29.937 8.284 1.00 19.34 ? 286 LEU B CD1 1 ATOM 5314 C CD2 . LEU B 1 269 ? 24.754 -28.764 8.207 1.00 20.01 ? 286 LEU B CD2 1 ATOM 5315 N N . ARG B 1 270 ? 22.187 -25.243 4.895 1.00 23.70 ? 287 ARG B N 1 ATOM 5316 C CA . ARG B 1 270 ? 21.702 -24.785 3.603 1.00 24.61 ? 287 ARG B CA 1 ATOM 5317 C C . ARG B 1 270 ? 22.724 -23.937 2.845 1.00 28.10 ? 287 ARG B C 1 ATOM 5318 O O . ARG B 1 270 ? 22.641 -23.798 1.622 1.00 26.97 ? 287 ARG B O 1 ATOM 5319 C CB . ARG B 1 270 ? 20.418 -23.977 3.785 1.00 23.64 ? 287 ARG B CB 1 ATOM 5320 C CG . ARG B 1 270 ? 19.299 -24.742 4.452 1.00 25.60 ? 287 ARG B CG 1 ATOM 5321 C CD . ARG B 1 270 ? 18.167 -23.840 4.884 1.00 34.09 ? 287 ARG B CD 1 ATOM 5322 N NE . ARG B 1 270 ? 18.612 -22.851 5.856 1.00 27.02 ? 287 ARG B NE 1 ATOM 5323 C CZ . ARG B 1 270 ? 17.815 -22.034 6.539 1.00 36.62 ? 287 ARG B CZ 1 ATOM 5324 N NH1 . ARG B 1 270 ? 16.496 -22.061 6.379 1.00 43.67 ? 287 ARG B NH1 1 ATOM 5325 N NH2 . ARG B 1 270 ? 18.351 -21.168 7.384 1.00 26.46 ? 287 ARG B NH2 1 ATOM 5326 N N . THR B 1 271 ? 23.642 -23.313 3.571 1.00 22.78 ? 288 THR B N 1 ATOM 5327 C CA . THR B 1 271 ? 24.639 -22.435 2.997 1.00 23.47 ? 288 THR B CA 1 ATOM 5328 C C . THR B 1 271 ? 26.086 -22.789 3.361 1.00 29.57 ? 288 THR B C 1 ATOM 5329 O O . THR B 1 271 ? 27.005 -22.035 3.030 1.00 28.46 ? 288 THR B O 1 ATOM 5330 C CB . THR B 1 271 ? 24.387 -20.973 3.464 1.00 26.23 ? 288 THR B CB 1 ATOM 5331 O OG1 . THR B 1 271 ? 24.458 -20.917 4.899 1.00 28.49 ? 288 THR B OG1 1 ATOM 5332 C CG2 . THR B 1 271 ? 23.021 -20.470 2.973 1.00 31.70 ? 288 THR B CG2 1 ATOM 5333 N N . ILE B 1 272 ? 26.294 -23.930 4.020 1.00 19.21 ? 289 ILE B N 1 ATOM 5334 C CA . ILE B 1 272 ? 27.623 -24.286 4.517 1.00 21.60 ? 289 ILE B CA 1 ATOM 5335 C C . ILE B 1 272 ? 28.571 -24.379 3.314 1.00 24.23 ? 289 ILE B C 1 ATOM 5336 O O . ILE B 1 272 ? 28.197 -24.871 2.243 1.00 23.42 ? 289 ILE B O 1 ATOM 5337 C CB . ILE B 1 272 ? 27.559 -25.615 5.278 1.00 17.51 ? 289 ILE B CB 1 ATOM 5338 C CG1 . ILE B 1 272 ? 28.898 -25.907 5.964 1.00 18.39 ? 289 ILE B CG1 1 ATOM 5339 C CG2 . ILE B 1 272 ? 27.073 -26.781 4.372 1.00 22.79 ? 289 ILE B CG2 1 ATOM 5340 C CD1 . ILE B 1 272 ? 28.881 -27.122 6.886 1.00 22.40 ? 289 ILE B CD1 1 ATOM 5341 N N . SER B 1 273 ? 29.796 -23.912 3.489 1.00 22.15 ? 290 SER B N 1 ATOM 5342 C CA . SER B 1 273 ? 30.790 -23.949 2.421 1.00 24.99 ? 290 SER B CA 1 ATOM 5343 C C . SER B 1 273 ? 31.312 -25.360 2.176 1.00 24.40 ? 290 SER B C 1 ATOM 5344 O O . SER B 1 273 ? 31.288 -26.221 3.067 1.00 21.38 ? 290 SER B O 1 ATOM 5345 C CB . SER B 1 273 ? 31.953 -23.036 2.767 1.00 24.78 ? 290 SER B CB 1 ATOM 5346 O OG . SER B 1 273 ? 32.700 -23.574 3.852 1.00 22.60 ? 290 SER B OG 1 ATOM 5347 N N . ALA B 1 274 ? 31.800 -25.591 0.964 1.00 24.34 ? 291 ALA B N 1 ATOM 5348 C CA . ALA B 1 274 ? 32.428 -26.868 0.617 1.00 24.35 ? 291 ALA B CA 1 ATOM 5349 C C . ALA B 1 274 ? 33.603 -27.162 1.562 1.00 21.65 ? 291 ALA B C 1 ATOM 5350 O O . ALA B 1 274 ? 33.762 -28.299 2.014 1.00 23.46 ? 291 ALA B O 1 ATOM 5351 C CB . ALA B 1 274 ? 32.895 -26.856 -0.858 1.00 26.78 ? 291 ALA B CB 1 ATOM 5352 N N . GLN B 1 275 ? 34.398 -26.136 1.873 1.00 23.46 ? 292 GLN B N 1 ATOM 5353 C CA . GLN B 1 275 ? 35.549 -26.274 2.775 1.00 21.54 ? 292 GLN B CA 1 ATOM 5354 C C . GLN B 1 275 ? 35.148 -26.778 4.166 1.00 20.59 ? 292 GLN B C 1 ATOM 5355 O O . GLN B 1 275 ? 35.770 -27.685 4.716 1.00 21.66 ? 292 GLN B O 1 ATOM 5356 C CB . GLN B 1 275 ? 36.263 -24.933 2.906 1.00 28.79 ? 292 GLN B CB 1 ATOM 5357 C CG . GLN B 1 275 ? 37.670 -25.030 3.417 1.00 38.15 ? 292 GLN B CG 1 ATOM 5358 C CD . GLN B 1 275 ? 38.489 -23.819 2.990 1.00 41.18 ? 292 GLN B CD 1 ATOM 5359 O OE1 . GLN B 1 275 ? 38.142 -22.699 3.323 1.00 31.49 ? 292 GLN B OE1 1 ATOM 5360 N NE2 . GLN B 1 275 ? 39.560 -24.045 2.241 1.00 36.06 ? 292 GLN B NE2 1 ATOM 5361 N N . ASN B 1 276 ? 34.084 -26.201 4.708 1.00 18.18 ? 293 ASN B N 1 ATOM 5362 C CA . ASN B 1 276 ? 33.549 -26.626 5.999 1.00 18.45 ? 293 ASN B CA 1 ATOM 5363 C C . ASN B 1 276 ? 32.876 -27.997 5.958 1.00 17.82 ? 293 ASN B C 1 ATOM 5364 O O . ASN B 1 276 ? 33.035 -28.821 6.881 1.00 19.72 ? 293 ASN B O 1 ATOM 5365 C CB . ASN B 1 276 ? 32.638 -25.536 6.570 1.00 18.27 ? 293 ASN B CB 1 ATOM 5366 C CG . ASN B 1 276 ? 33.437 -24.381 7.181 1.00 20.46 ? 293 ASN B CG 1 ATOM 5367 O OD1 . ASN B 1 276 ? 34.533 -24.604 7.654 1.00 21.05 ? 293 ASN B OD1 1 ATOM 5368 N ND2 . ASN B 1 276 ? 32.918 -23.148 7.109 1.00 19.74 ? 293 ASN B ND2 1 ATOM 5369 N N . MET B 1 277 ? 32.137 -28.265 4.892 1.00 20.49 ? 294 MET B N 1 ATOM 5370 C CA . MET B 1 277 ? 31.556 -29.586 4.723 1.00 20.06 ? 294 MET B CA 1 ATOM 5371 C C . MET B 1 277 ? 32.637 -30.652 4.667 1.00 21.40 ? 294 MET B C 1 ATOM 5372 O O . MET B 1 277 ? 32.458 -31.739 5.218 1.00 22.10 ? 294 MET B O 1 ATOM 5373 C CB . MET B 1 277 ? 30.715 -29.638 3.437 1.00 20.09 ? 294 MET B CB 1 ATOM 5374 C CG . MET B 1 277 ? 30.110 -31.001 3.168 1.00 23.92 ? 294 MET B CG 1 ATOM 5375 S SD . MET B 1 277 ? 28.930 -31.051 1.781 1.00 38.97 ? 294 MET B SD 1 ATOM 5376 C CE . MET B 1 277 ? 27.740 -29.803 2.268 1.00 30.25 ? 294 MET B CE 1 ATOM 5377 N N . ASP B 1 278 ? 33.772 -30.332 4.035 1.00 21.48 ? 295 ASP B N 1 ATOM 5378 C CA . ASP B 1 278 ? 34.871 -31.292 3.876 1.00 20.44 ? 295 ASP B CA 1 ATOM 5379 C C . ASP B 1 278 ? 35.508 -31.651 5.206 1.00 20.01 ? 295 ASP B C 1 ATOM 5380 O O . ASP B 1 278 ? 36.025 -32.757 5.364 1.00 22.22 ? 295 ASP B O 1 ATOM 5381 C CB . ASP B 1 278 ? 35.966 -30.759 2.948 1.00 24.84 ? 295 ASP B CB 1 ATOM 5382 C CG . ASP B 1 278 ? 35.534 -30.711 1.478 1.00 39.27 ? 295 ASP B CG 1 ATOM 5383 O OD1 . ASP B 1 278 ? 34.558 -31.390 1.089 1.00 32.67 ? 295 ASP B OD1 1 ATOM 5384 O OD2 . ASP B 1 278 ? 36.183 -29.976 0.706 1.00 36.20 ? 295 ASP B OD2 1 ATOM 5385 N N . ILE B 1 279 ? 35.498 -30.704 6.140 1.00 17.73 ? 296 ILE B N 1 ATOM 5386 C CA . ILE B 1 279 ? 36.026 -30.948 7.490 1.00 16.77 ? 296 ILE B CA 1 ATOM 5387 C C . ILE B 1 279 ? 35.078 -31.919 8.204 1.00 17.09 ? 296 ILE B C 1 ATOM 5388 O O . ILE B 1 279 ? 35.466 -32.973 8.722 1.00 15.60 ? 296 ILE B O 1 ATOM 5389 C CB . ILE B 1 279 ? 36.106 -29.620 8.308 1.00 13.94 ? 296 ILE B CB 1 ATOM 5390 C CG1 . ILE B 1 279 ? 37.161 -28.696 7.708 1.00 16.29 ? 296 ILE B CG1 1 ATOM 5391 C CG2 . ILE B 1 279 ? 36.484 -29.881 9.778 1.00 14.85 ? 296 ILE B CG2 1 ATOM 5392 C CD1 . ILE B 1 279 ? 37.115 -27.293 8.259 1.00 17.03 ? 296 ILE B CD1 1 ATOM 5393 N N . LEU B 1 280 ? 33.808 -31.557 8.207 1.00 17.41 ? 297 LEU B N 1 ATOM 5394 C CA . LEU B 1 280 ? 32.806 -32.317 8.973 1.00 21.24 ? 297 LEU B CA 1 ATOM 5395 C C . LEU B 1 280 ? 32.514 -33.713 8.379 1.00 19.16 ? 297 LEU B C 1 ATOM 5396 O O . LEU B 1 280 ? 32.128 -34.631 9.102 1.00 18.18 ? 297 LEU B O 1 ATOM 5397 C CB . LEU B 1 280 ? 31.519 -31.512 9.062 1.00 17.01 ? 297 LEU B CB 1 ATOM 5398 C CG . LEU B 1 280 ? 31.595 -30.271 9.950 1.00 14.98 ? 297 LEU B CG 1 ATOM 5399 C CD1 . LEU B 1 280 ? 30.511 -29.270 9.545 1.00 17.11 ? 297 LEU B CD1 1 ATOM 5400 C CD2 . LEU B 1 280 ? 31.462 -30.634 11.418 1.00 15.08 ? 297 LEU B CD2 1 ATOM 5401 N N . GLN B 1 281 ? 32.657 -33.869 7.062 1.00 18.30 ? 298 GLN B N 1 ATOM 5402 C CA . GLN B 1 281 ? 32.441 -35.168 6.431 1.00 16.65 ? 298 GLN B CA 1 ATOM 5403 C C . GLN B 1 281 ? 33.684 -36.010 6.148 1.00 22.92 ? 298 GLN B C 1 ATOM 5404 O O . GLN B 1 281 ? 33.611 -37.009 5.420 1.00 25.10 ? 298 GLN B O 1 ATOM 5405 C CB . GLN B 1 281 ? 31.682 -34.956 5.126 1.00 19.02 ? 298 GLN B CB 1 ATOM 5406 C CG . GLN B 1 281 ? 30.290 -34.370 5.365 1.00 22.40 ? 298 GLN B CG 1 ATOM 5407 C CD . GLN B 1 281 ? 29.378 -34.414 4.130 1.00 29.29 ? 298 GLN B CD 1 ATOM 5408 O OE1 . GLN B 1 281 ? 29.759 -34.901 3.057 1.00 32.75 ? 298 GLN B OE1 1 ATOM 5409 N NE2 . GLN B 1 281 ? 28.175 -33.885 4.282 1.00 23.22 ? 298 GLN B NE2 1 ATOM 5410 N N . ASN B 1 282 ? 34.815 -35.616 6.719 1.00 21.12 ? 299 ASN B N 1 ATOM 5411 C CA . ASN B 1 282 ? 36.061 -36.353 6.571 1.00 20.19 ? 299 ASN B CA 1 ATOM 5412 C C . ASN B 1 282 ? 35.863 -37.797 7.084 1.00 18.86 ? 299 ASN B C 1 ATOM 5413 O O . ASN B 1 282 ? 35.584 -38.000 8.283 1.00 19.81 ? 299 ASN B O 1 ATOM 5414 C CB . ASN B 1 282 ? 37.155 -35.620 7.348 1.00 17.46 ? 299 ASN B CB 1 ATOM 5415 C CG . ASN B 1 282 ? 38.530 -36.281 7.222 1.00 19.35 ? 299 ASN B CG 1 ATOM 5416 O OD1 . ASN B 1 282 ? 38.692 -37.485 7.442 1.00 19.14 ? 299 ASN B OD1 1 ATOM 5417 N ND2 . ASN B 1 282 ? 39.532 -35.468 6.903 1.00 20.89 ? 299 ASN B ND2 1 ATOM 5418 N N . PRO B 1 283 ? 35.984 -38.805 6.194 1.00 19.99 ? 300 PRO B N 1 ATOM 5419 C CA . PRO B 1 283 ? 35.594 -40.148 6.638 1.00 20.77 ? 300 PRO B CA 1 ATOM 5420 C C . PRO B 1 283 ? 36.509 -40.780 7.682 1.00 20.19 ? 300 PRO B C 1 ATOM 5421 O O . PRO B 1 283 ? 36.028 -41.514 8.564 1.00 21.53 ? 300 PRO B O 1 ATOM 5422 C CB . PRO B 1 283 ? 35.603 -40.981 5.346 1.00 28.06 ? 300 PRO B CB 1 ATOM 5423 C CG . PRO B 1 283 ? 35.634 -39.990 4.234 1.00 28.46 ? 300 PRO B CG 1 ATOM 5424 C CD . PRO B 1 283 ? 36.288 -38.761 4.751 1.00 23.26 ? 300 PRO B CD 1 ATOM 5425 N N . LEU B 1 284 ? 37.806 -40.518 7.566 1.00 19.61 ? 301 LEU B N 1 ATOM 5426 C CA . LEU B 1 284 ? 38.748 -41.044 8.526 1.00 21.95 ? 301 LEU B CA 1 ATOM 5427 C C . LEU B 1 284 ? 38.529 -40.367 9.878 1.00 19.43 ? 301 LEU B C 1 ATOM 5428 O O . LEU B 1 284 ? 38.531 -41.034 10.916 1.00 18.98 ? 301 LEU B O 1 ATOM 5429 C CB . LEU B 1 284 ? 40.185 -40.883 8.045 1.00 22.51 ? 301 LEU B CB 1 ATOM 5430 C CG . LEU B 1 284 ? 41.267 -41.499 8.931 1.00 21.61 ? 301 LEU B CG 1 ATOM 5431 C CD1 . LEU B 1 284 ? 40.964 -42.959 9.332 1.00 24.45 ? 301 LEU B CD1 1 ATOM 5432 C CD2 . LEU B 1 284 ? 42.586 -41.385 8.197 1.00 22.50 ? 301 LEU B CD2 1 ATOM 5433 N N . MET B 1 285 ? 38.304 -39.056 9.865 1.00 18.40 ? 302 MET B N 1 ATOM 5434 C CA . MET B 1 285 ? 37.999 -38.344 11.113 1.00 15.61 ? 302 MET B CA 1 ATOM 5435 C C . MET B 1 285 ? 36.810 -38.961 11.826 1.00 16.25 ? 302 MET B C 1 ATOM 5436 O O . MET B 1 285 ? 36.848 -39.219 13.039 1.00 16.88 ? 302 MET B O 1 ATOM 5437 C CB . MET B 1 285 ? 37.722 -36.866 10.831 1.00 16.17 ? 302 MET B CB 1 ATOM 5438 C CG . MET B 1 285 ? 37.509 -36.009 12.057 1.00 17.70 ? 302 MET B CG 1 ATOM 5439 S SD . MET B 1 285 ? 39.054 -35.656 12.913 1.00 17.94 ? 302 MET B SD 1 ATOM 5440 C CE . MET B 1 285 ? 39.774 -34.452 11.763 1.00 17.98 ? 302 MET B CE 1 ATOM 5441 N N . ILE B 1 286 ? 35.750 -39.210 11.071 1.00 17.49 ? 303 ILE B N 1 ATOM 5442 C CA . ILE B 1 286 ? 34.530 -39.770 11.630 1.00 17.56 ? 303 ILE B CA 1 ATOM 5443 C C . ILE B 1 286 ? 34.771 -41.207 12.147 1.00 17.74 ? 303 ILE B C 1 ATOM 5444 O O . ILE B 1 286 ? 34.327 -41.567 13.250 1.00 20.29 ? 303 ILE B O 1 ATOM 5445 C CB . ILE B 1 286 ? 33.376 -39.722 10.601 1.00 19.01 ? 303 ILE B CB 1 ATOM 5446 C CG1 . ILE B 1 286 ? 32.943 -38.272 10.407 1.00 17.41 ? 303 ILE B CG1 1 ATOM 5447 C CG2 . ILE B 1 286 ? 32.186 -40.588 11.079 1.00 20.02 ? 303 ILE B CG2 1 ATOM 5448 C CD1 . ILE B 1 286 ? 32.080 -38.056 9.134 1.00 19.30 ? 303 ILE B CD1 1 ATOM 5449 N N . LYS B 1 287 ? 35.487 -42.024 11.368 1.00 19.42 ? 304 LYS B N 1 ATOM 5450 C CA . LYS B 1 287 ? 35.875 -43.381 11.824 1.00 20.73 ? 304 LYS B CA 1 ATOM 5451 C C . LYS B 1 287 ? 36.576 -43.339 13.185 1.00 21.58 ? 304 LYS B C 1 ATOM 5452 O O . LYS B 1 287 ? 36.297 -44.152 14.074 1.00 21.02 ? 304 LYS B O 1 ATOM 5453 C CB . LYS B 1 287 ? 36.777 -44.047 10.771 1.00 24.08 ? 304 LYS B CB 1 ATOM 5454 C CG . LYS B 1 287 ? 37.479 -45.343 11.195 1.00 32.93 ? 304 LYS B CG 1 ATOM 5455 C CD . LYS B 1 287 ? 38.361 -45.869 10.043 1.00 36.68 ? 304 LYS B CD 1 ATOM 5456 C CE . LYS B 1 287 ? 39.187 -47.071 10.465 1.00 49.52 ? 304 LYS B CE 1 ATOM 5457 N NZ . LYS B 1 287 ? 38.305 -48.244 10.728 1.00 48.86 ? 304 LYS B NZ 1 ATOM 5458 N N . ILE B 1 288 ? 37.498 -42.389 13.340 1.00 18.62 ? 305 ILE B N 1 ATOM 5459 C CA . ILE B 1 288 ? 38.215 -42.222 14.590 1.00 18.10 ? 305 ILE B CA 1 ATOM 5460 C C . ILE B 1 288 ? 37.238 -41.797 15.677 1.00 19.19 ? 305 ILE B C 1 ATOM 5461 O O . ILE B 1 288 ? 37.221 -42.396 16.759 1.00 16.98 ? 305 ILE B O 1 ATOM 5462 C CB . ILE B 1 288 ? 39.375 -41.214 14.451 1.00 15.46 ? 305 ILE B CB 1 ATOM 5463 C CG1 . ILE B 1 288 ? 40.453 -41.786 13.528 1.00 18.10 ? 305 ILE B CG1 1 ATOM 5464 C CG2 . ILE B 1 288 ? 39.975 -40.863 15.850 1.00 16.28 ? 305 ILE B CG2 1 ATOM 5465 C CD1 . ILE B 1 288 ? 41.511 -40.794 13.083 1.00 18.81 ? 305 ILE B CD1 1 ATOM 5466 N N . ASN B 1 289 ? 36.405 -40.794 15.396 1.00 18.43 ? 306 ASN B N 1 ATOM 5467 C CA . ASN B 1 289 ? 35.451 -40.347 16.417 1.00 18.06 ? 306 ASN B CA 1 ATOM 5468 C C . ASN B 1 289 ? 34.578 -41.512 16.909 1.00 18.57 ? 306 ASN B C 1 ATOM 5469 O O . ASN B 1 289 ? 34.366 -41.681 18.109 1.00 17.54 ? 306 ASN B O 1 ATOM 5470 C CB . ASN B 1 289 ? 34.539 -39.246 15.904 1.00 18.45 ? 306 ASN B CB 1 ATOM 5471 C CG . ASN B 1 289 ? 33.508 -38.833 16.953 1.00 16.75 ? 306 ASN B CG 1 ATOM 5472 O OD1 . ASN B 1 289 ? 32.401 -39.352 16.968 1.00 17.90 ? 306 ASN B OD1 1 ATOM 5473 N ND2 . ASN B 1 289 ? 33.878 -37.912 17.854 1.00 17.07 ? 306 ASN B ND2 1 ATOM 5474 N N . GLN B 1 290 ? 34.132 -42.312 15.951 1.00 16.47 ? 307 GLN B N 1 ATOM 5475 C CA . GLN B 1 290 ? 33.206 -43.442 16.160 1.00 17.55 ? 307 GLN B CA 1 ATOM 5476 C C . GLN B 1 290 ? 33.879 -44.768 16.524 1.00 19.75 ? 307 GLN B C 1 ATOM 5477 O O . GLN B 1 290 ? 33.240 -45.845 16.481 1.00 22.75 ? 307 GLN B O 1 ATOM 5478 C CB . GLN B 1 290 ? 32.380 -43.623 14.884 1.00 19.72 ? 307 GLN B CB 1 ATOM 5479 C CG . GLN B 1 290 ? 31.508 -42.428 14.556 1.00 18.93 ? 307 GLN B CG 1 ATOM 5480 C CD . GLN B 1 290 ? 30.357 -42.277 15.525 1.00 20.16 ? 307 GLN B CD 1 ATOM 5481 O OE1 . GLN B 1 290 ? 29.396 -43.039 15.460 1.00 21.52 ? 307 GLN B OE1 1 ATOM 5482 N NE2 . GLN B 1 290 ? 30.460 -41.307 16.457 1.00 17.69 ? 307 GLN B NE2 1 ATOM 5483 N N . ASP B 1 291 ? 35.147 -44.717 16.913 1.00 19.48 ? 308 ASP B N 1 ATOM 5484 C CA . ASP B 1 291 ? 35.867 -45.935 17.201 1.00 21.03 ? 308 ASP B CA 1 ATOM 5485 C C . ASP B 1 291 ? 35.121 -46.765 18.246 1.00 20.86 ? 308 ASP B C 1 ATOM 5486 O O . ASP B 1 291 ? 34.721 -46.241 19.281 1.00 20.61 ? 308 ASP B O 1 ATOM 5487 C CB . ASP B 1 291 ? 37.260 -45.618 17.715 1.00 19.88 ? 308 ASP B CB 1 ATOM 5488 C CG . ASP B 1 291 ? 38.034 -46.863 18.034 1.00 21.80 ? 308 ASP B CG 1 ATOM 5489 O OD1 . ASP B 1 291 ? 38.563 -47.462 17.080 1.00 24.42 ? 308 ASP B OD1 1 ATOM 5490 O OD2 . ASP B 1 291 ? 38.103 -47.242 19.230 1.00 21.31 ? 308 ASP B OD2 1 ATOM 5491 N N . PRO B 1 292 ? 34.956 -48.075 17.995 1.00 21.06 ? 309 PRO B N 1 ATOM 5492 C CA . PRO B 1 292 ? 34.115 -48.863 18.891 1.00 22.13 ? 309 PRO B CA 1 ATOM 5493 C C . PRO B 1 292 ? 34.600 -49.017 20.334 1.00 23.17 ? 309 PRO B C 1 ATOM 5494 O O . PRO B 1 292 ? 33.778 -49.302 21.210 1.00 24.76 ? 309 PRO B O 1 ATOM 5495 C CB . PRO B 1 292 ? 34.025 -50.231 18.201 1.00 26.29 ? 309 PRO B CB 1 ATOM 5496 C CG . PRO B 1 292 ? 34.992 -50.220 17.086 1.00 33.64 ? 309 PRO B CG 1 ATOM 5497 C CD . PRO B 1 292 ? 35.320 -48.796 16.764 1.00 25.98 ? 309 PRO B CD 1 ATOM 5498 N N . LEU B 1 293 ? 35.893 -48.845 20.603 1.00 20.81 ? 310 LEU B N 1 ATOM 5499 C CA . LEU B 1 293 ? 36.371 -48.933 21.989 1.00 22.13 ? 310 LEU B CA 1 ATOM 5500 C C . LEU B 1 293 ? 35.874 -47.757 22.850 1.00 20.43 ? 310 LEU B C 1 ATOM 5501 O O . LEU B 1 293 ? 35.778 -47.870 24.083 1.00 22.17 ? 310 LEU B O 1 ATOM 5502 C CB . LEU B 1 293 ? 37.896 -49.047 22.044 1.00 23.76 ? 310 LEU B CB 1 ATOM 5503 C CG . LEU B 1 293 ? 38.496 -50.269 21.350 1.00 30.45 ? 310 LEU B CG 1 ATOM 5504 C CD1 . LEU B 1 293 ? 39.997 -50.294 21.577 1.00 30.77 ? 310 LEU B CD1 1 ATOM 5505 C CD2 . LEU B 1 293 ? 37.839 -51.572 21.858 1.00 27.16 ? 310 LEU B CD2 1 ATOM 5506 N N . GLY B 1 294 ? 35.571 -46.617 22.221 1.00 21.89 ? 311 GLY B N 1 ATOM 5507 C CA . GLY B 1 294 ? 35.061 -45.471 22.959 1.00 22.58 ? 311 GLY B CA 1 ATOM 5508 C C . GLY B 1 294 ? 35.977 -45.003 24.074 1.00 24.53 ? 311 GLY B C 1 ATOM 5509 O O . GLY B 1 294 ? 35.504 -44.568 25.123 1.00 23.82 ? 311 GLY B O 1 ATOM 5510 N N . ILE B 1 295 ? 37.288 -45.076 23.851 1.00 19.98 ? 312 ILE B N 1 ATOM 5511 C CA . ILE B 1 295 ? 38.256 -44.601 24.847 1.00 19.97 ? 312 ILE B CA 1 ATOM 5512 C C . ILE B 1 295 ? 38.577 -43.138 24.566 1.00 22.16 ? 312 ILE B C 1 ATOM 5513 O O . ILE B 1 295 ? 39.138 -42.799 23.512 1.00 20.79 ? 312 ILE B O 1 ATOM 5514 C CB . ILE B 1 295 ? 39.567 -45.419 24.840 1.00 21.14 ? 312 ILE B CB 1 ATOM 5515 C CG1 . ILE B 1 295 ? 39.271 -46.897 25.084 1.00 25.12 ? 312 ILE B CG1 1 ATOM 5516 C CG2 . ILE B 1 295 ? 40.531 -44.900 25.925 1.00 22.94 ? 312 ILE B CG2 1 ATOM 5517 C CD1 . ILE B 1 295 ? 40.455 -47.836 24.812 1.00 25.64 ? 312 ILE B CD1 1 ATOM 5518 N N . GLN B 1 296 ? 38.208 -42.263 25.494 1.00 18.79 ? 313 GLN B N 1 ATOM 5519 C CA . GLN B 1 296 ? 38.519 -40.853 25.368 1.00 17.32 ? 313 GLN B CA 1 ATOM 5520 C C . GLN B 1 296 ? 40.041 -40.631 25.424 1.00 16.91 ? 313 GLN B C 1 ATOM 5521 O O . GLN B 1 296 ? 40.735 -41.282 26.220 1.00 19.10 ? 313 GLN B O 1 ATOM 5522 C CB . GLN B 1 296 ? 37.784 -40.043 26.437 1.00 18.42 ? 313 GLN B CB 1 ATOM 5523 C CG . GLN B 1 296 ? 38.155 -38.565 26.501 1.00 16.31 ? 313 GLN B CG 1 ATOM 5524 C CD . GLN B 1 296 ? 37.182 -37.748 27.333 1.00 17.64 ? 313 GLN B CD 1 ATOM 5525 O OE1 . GLN B 1 296 ? 35.988 -38.042 27.355 1.00 17.88 ? 313 GLN B OE1 1 ATOM 5526 N NE2 . GLN B 1 296 ? 37.698 -36.721 28.047 1.00 19.56 ? 313 GLN B NE2 1 ATOM 5527 N N . GLY B 1 297 ? 40.548 -39.759 24.560 1.00 17.78 ? 314 GLY B N 1 ATOM 5528 C CA . GLY B 1 297 ? 41.957 -39.420 24.532 1.00 17.30 ? 314 GLY B CA 1 ATOM 5529 C C . GLY B 1 297 ? 42.342 -38.436 25.622 1.00 19.59 ? 314 GLY B C 1 ATOM 5530 O O . GLY B 1 297 ? 41.523 -38.024 26.458 1.00 19.60 ? 314 GLY B O 1 ATOM 5531 N N . ARG B 1 298 ? 43.623 -38.079 25.601 1.00 18.88 ? 315 ARG B N 1 ATOM 5532 C CA . ARG B 1 298 ? 44.257 -37.226 26.587 1.00 23.42 ? 315 ARG B CA 1 ATOM 5533 C C . ARG B 1 298 ? 45.291 -36.336 25.908 1.00 19.38 ? 315 ARG B C 1 ATOM 5534 O O . ARG B 1 298 ? 45.887 -36.709 24.889 1.00 18.87 ? 315 ARG B O 1 ATOM 5535 C CB . ARG B 1 298 ? 45.038 -38.089 27.603 1.00 25.78 ? 315 ARG B CB 1 ATOM 5536 C CG . ARG B 1 298 ? 44.208 -38.900 28.556 1.00 34.38 ? 315 ARG B CG 1 ATOM 5537 C CD . ARG B 1 298 ? 45.078 -39.839 29.389 1.00 27.85 ? 315 ARG B CD 1 ATOM 5538 N NE . ARG B 1 298 ? 46.095 -39.123 30.155 1.00 32.32 ? 315 ARG B NE 1 ATOM 5539 C CZ . ARG B 1 298 ? 45.943 -38.630 31.389 1.00 50.29 ? 315 ARG B CZ 1 ATOM 5540 N NH1 . ARG B 1 298 ? 44.792 -38.745 32.060 1.00 32.46 ? 315 ARG B NH1 1 ATOM 5541 N NH2 . ARG B 1 298 ? 46.968 -38.002 31.964 1.00 52.34 ? 315 ARG B NH2 1 ATOM 5542 N N . ARG B 1 299 ? 45.581 -35.205 26.534 1.00 20.09 ? 316 ARG B N 1 ATOM 5543 C CA . ARG B 1 299 ? 46.831 -34.506 26.238 1.00 21.55 ? 316 ARG B CA 1 ATOM 5544 C C . ARG B 1 299 ? 47.980 -35.274 26.867 1.00 21.43 ? 316 ARG B C 1 ATOM 5545 O O . ARG B 1 299 ? 47.972 -35.538 28.081 1.00 21.60 ? 316 ARG B O 1 ATOM 5546 C CB . ARG B 1 299 ? 46.850 -33.071 26.760 1.00 19.60 ? 316 ARG B CB 1 ATOM 5547 C CG . ARG B 1 299 ? 48.023 -32.301 26.154 1.00 24.53 ? 316 ARG B CG 1 ATOM 5548 C CD . ARG B 1 299 ? 48.033 -30.864 26.556 1.00 24.95 ? 316 ARG B CD 1 ATOM 5549 N NE . ARG B 1 299 ? 48.340 -30.747 27.972 1.00 22.01 ? 316 ARG B NE 1 ATOM 5550 C CZ . ARG B 1 299 ? 48.239 -29.628 28.682 1.00 28.36 ? 316 ARG B CZ 1 ATOM 5551 N NH1 . ARG B 1 299 ? 47.807 -28.503 28.127 1.00 27.53 ? 316 ARG B NH1 1 ATOM 5552 N NH2 . ARG B 1 299 ? 48.539 -29.659 29.974 1.00 35.41 ? 316 ARG B NH2 1 ATOM 5553 N N . ILE B 1 300 ? 48.956 -35.642 26.040 1.00 19.98 ? 317 ILE B N 1 ATOM 5554 C CA . ILE B 1 300 ? 50.102 -36.421 26.499 1.00 23.32 ? 317 ILE B CA 1 ATOM 5555 C C . ILE B 1 300 ? 51.393 -35.626 26.595 1.00 24.17 ? 317 ILE B C 1 ATOM 5556 O O . ILE B 1 300 ? 52.310 -36.028 27.304 1.00 26.22 ? 317 ILE B O 1 ATOM 5557 C CB . ILE B 1 300 ? 50.328 -37.700 25.641 1.00 21.11 ? 317 ILE B CB 1 ATOM 5558 C CG1 . ILE B 1 300 ? 50.573 -37.406 24.158 1.00 26.19 ? 317 ILE B CG1 1 ATOM 5559 C CG2 . ILE B 1 300 ? 49.161 -38.686 25.831 1.00 22.27 ? 317 ILE B CG2 1 ATOM 5560 C CD1 . ILE B 1 300 ? 51.173 -38.602 23.406 1.00 27.92 ? 317 ILE B CD1 1 ATOM 5561 N N . HIS B 1 301 ? 51.461 -34.482 25.921 1.00 21.43 ? 318 HIS B N 1 ATOM 5562 C CA . HIS B 1 301 ? 52.689 -33.703 25.858 1.00 30.35 ? 318 HIS B CA 1 ATOM 5563 C C . HIS B 1 301 ? 52.317 -32.233 25.699 1.00 27.68 ? 318 HIS B C 1 ATOM 5564 O O . HIS B 1 301 ? 51.386 -31.887 24.969 1.00 21.64 ? 318 HIS B O 1 ATOM 5565 C CB . HIS B 1 301 ? 53.511 -34.167 24.649 1.00 38.03 ? 318 HIS B CB 1 ATOM 5566 C CG . HIS B 1 301 ? 54.935 -34.488 24.961 1.00 45.61 ? 318 HIS B CG 1 ATOM 5567 N ND1 . HIS B 1 301 ? 55.896 -33.518 25.149 1.00 72.38 ? 318 HIS B ND1 1 ATOM 5568 C CD2 . HIS B 1 301 ? 55.565 -35.677 25.109 1.00 68.88 ? 318 HIS B CD2 1 ATOM 5569 C CE1 . HIS B 1 301 ? 57.056 -34.096 25.406 1.00 76.00 ? 318 HIS B CE1 1 ATOM 5570 N NE2 . HIS B 1 301 ? 56.883 -35.406 25.383 1.00 79.76 ? 318 HIS B NE2 1 ATOM 5571 N N . LYS B 1 302 ? 53.027 -31.367 26.405 1.00 26.41 ? 319 LYS B N 1 ATOM 5572 C CA . LYS B 1 302 ? 52.940 -29.932 26.206 1.00 25.46 ? 319 LYS B CA 1 ATOM 5573 C C . LYS B 1 302 ? 54.391 -29.460 26.235 1.00 37.10 ? 319 LYS B C 1 ATOM 5574 O O . LYS B 1 302 ? 55.169 -29.893 27.090 1.00 31.74 ? 319 LYS B O 1 ATOM 5575 C CB . LYS B 1 302 ? 52.099 -29.302 27.319 1.00 35.50 ? 319 LYS B CB 1 ATOM 5576 C CG . LYS B 1 302 ? 51.896 -27.794 27.248 1.00 49.67 ? 319 LYS B CG 1 ATOM 5577 C CD . LYS B 1 302 ? 51.284 -27.279 28.557 1.00 68.15 ? 319 LYS B CD 1 ATOM 5578 C CE . LYS B 1 302 ? 50.792 -25.840 28.449 1.00 75.63 ? 319 LYS B CE 1 ATOM 5579 N NZ . LYS B 1 302 ? 50.038 -25.423 29.668 1.00 77.42 ? 319 LYS B NZ 1 ATOM 5580 N N . GLU B 1 303 ? 54.772 -28.635 25.267 1.00 26.51 ? 320 GLU B N 1 ATOM 5581 C CA . GLU B 1 303 ? 56.162 -28.168 25.132 1.00 28.48 ? 320 GLU B CA 1 ATOM 5582 C C . GLU B 1 303 ? 56.235 -26.652 25.326 1.00 31.65 ? 320 GLU B C 1 ATOM 5583 O O . GLU B 1 303 ? 55.241 -25.952 25.124 1.00 26.96 ? 320 GLU B O 1 ATOM 5584 C CB . GLU B 1 303 ? 56.710 -28.500 23.747 1.00 29.45 ? 320 GLU B CB 1 ATOM 5585 C CG . GLU B 1 303 ? 56.181 -29.783 23.096 1.00 50.73 ? 320 GLU B CG 1 ATOM 5586 C CD . GLU B 1 303 ? 57.156 -30.943 23.163 1.00 64.24 ? 320 GLU B CD 1 ATOM 5587 O OE1 . GLU B 1 303 ? 56.684 -32.098 23.190 1.00 59.53 ? 320 GLU B OE1 1 ATOM 5588 O OE2 . GLU B 1 303 ? 58.384 -30.706 23.172 1.00 64.92 ? 320 GLU B OE2 1 ATOM 5589 N N . LYS B 1 304 ? 57.412 -26.141 25.699 1.00 31.35 ? 321 LYS B N 1 ATOM 5590 C CA . LYS B 1 304 ? 57.577 -24.677 25.838 1.00 39.42 ? 321 LYS B CA 1 ATOM 5591 C C . LYS B 1 304 ? 57.387 -23.921 24.498 1.00 33.02 ? 321 LYS B C 1 ATOM 5592 O O . LYS B 1 304 ? 57.076 -22.731 24.497 1.00 32.53 ? 321 LYS B O 1 ATOM 5593 C CB . LYS B 1 304 ? 58.900 -24.290 26.524 1.00 46.85 ? 321 LYS B CB 1 ATOM 5594 C CG . LYS B 1 304 ? 60.157 -24.984 26.038 1.00 54.00 ? 321 LYS B CG 1 ATOM 5595 C CD . LYS B 1 304 ? 61.348 -24.619 26.941 1.00 70.09 ? 321 LYS B CD 1 ATOM 5596 C CE . LYS B 1 304 ? 62.509 -25.593 26.780 1.00 78.16 ? 321 LYS B CE 1 ATOM 5597 N NZ . LYS B 1 304 ? 63.136 -25.509 25.428 1.00 77.96 ? 321 LYS B NZ 1 ATOM 5598 N N . SER B 1 305 ? 57.535 -24.631 23.380 1.00 29.10 ? 322 SER B N 1 ATOM 5599 C CA . SER B 1 305 ? 57.195 -24.105 22.049 1.00 24.95 ? 322 SER B CA 1 ATOM 5600 C C . SER B 1 305 ? 55.698 -23.868 21.805 1.00 25.01 ? 322 SER B C 1 ATOM 5601 O O . SER B 1 305 ? 55.334 -23.367 20.737 1.00 23.40 ? 322 SER B O 1 ATOM 5602 C CB . SER B 1 305 ? 57.705 -25.079 20.989 1.00 25.06 ? 322 SER B CB 1 ATOM 5603 O OG . SER B 1 305 ? 57.011 -26.320 21.048 1.00 26.30 ? 322 SER B OG 1 ATOM 5604 N N . LEU B 1 306 ? 54.853 -24.247 22.772 1.00 22.29 ? 323 LEU B N 1 ATOM 5605 C CA . LEU B 1 306 ? 53.401 -24.111 22.726 1.00 23.50 ? 323 LEU B CA 1 ATOM 5606 C C . LEU B 1 306 ? 52.767 -25.095 21.759 1.00 21.81 ? 323 LEU B C 1 ATOM 5607 O O . LEU B 1 306 ? 51.622 -24.905 21.351 1.00 21.53 ? 323 LEU B O 1 ATOM 5608 C CB . LEU B 1 306 ? 52.953 -22.664 22.421 1.00 22.32 ? 323 LEU B CB 1 ATOM 5609 C CG . LEU B 1 306 ? 53.568 -21.578 23.318 1.00 29.57 ? 323 LEU B CG 1 ATOM 5610 C CD1 . LEU B 1 306 ? 52.957 -20.216 22.934 1.00 32.69 ? 323 LEU B CD1 1 ATOM 5611 C CD2 . LEU B 1 306 ? 53.353 -21.893 24.808 1.00 33.64 ? 323 LEU B CD2 1 ATOM 5612 N N . ILE B 1 307 ? 53.509 -26.139 21.404 1.00 20.49 ? 324 ILE B N 1 ATOM 5613 C CA . ILE B 1 307 ? 52.942 -27.299 20.751 1.00 15.24 ? 324 ILE B CA 1 ATOM 5614 C C . ILE B 1 307 ? 52.444 -28.311 21.782 1.00 18.93 ? 324 ILE B C 1 ATOM 5615 O O . ILE B 1 307 ? 53.167 -28.641 22.730 1.00 22.39 ? 324 ILE B O 1 ATOM 5616 C CB . ILE B 1 307 ? 53.943 -27.974 19.800 1.00 18.16 ? 324 ILE B CB 1 ATOM 5617 C CG1 . ILE B 1 307 ? 54.458 -26.984 18.748 1.00 22.15 ? 324 ILE B CG1 1 ATOM 5618 C CG2 . ILE B 1 307 ? 53.288 -29.168 19.105 1.00 21.60 ? 324 ILE B CG2 1 ATOM 5619 C CD1 . ILE B 1 307 ? 53.365 -26.228 17.975 1.00 18.96 ? 324 ILE B CD1 1 ATOM 5620 N N . GLU B 1 308 ? 51.212 -28.786 21.595 1.00 16.77 ? 325 GLU B N 1 ATOM 5621 C CA . GLU B 1 308 ? 50.615 -29.818 22.448 1.00 20.62 ? 325 GLU B CA 1 ATOM 5622 C C . GLU B 1 308 ? 50.357 -31.046 21.607 1.00 16.93 ? 325 GLU B C 1 ATOM 5623 O O . GLU B 1 308 ? 50.046 -30.937 20.424 1.00 22.60 ? 325 GLU B O 1 ATOM 5624 C CB . GLU B 1 308 ? 49.312 -29.340 23.076 1.00 20.43 ? 325 GLU B CB 1 ATOM 5625 C CG . GLU B 1 308 ? 49.484 -28.098 23.906 1.00 25.47 ? 325 GLU B CG 1 ATOM 5626 C CD . GLU B 1 308 ? 48.244 -27.718 24.687 1.00 35.14 ? 325 GLU B CD 1 ATOM 5627 O OE1 . GLU B 1 308 ? 47.140 -28.150 24.318 1.00 30.20 ? 325 GLU B OE1 1 ATOM 5628 O OE2 . GLU B 1 308 ? 48.380 -26.956 25.657 1.00 44.33 ? 325 GLU B OE2 1 ATOM 5629 N N . VAL B 1 309 ? 50.472 -32.217 22.236 1.00 18.80 ? 326 VAL B N 1 ATOM 5630 C CA . VAL B 1 309 ? 50.169 -33.466 21.560 1.00 17.22 ? 326 VAL B CA 1 ATOM 5631 C C . VAL B 1 309 ? 49.107 -34.219 22.344 1.00 18.83 ? 326 VAL B C 1 ATOM 5632 O O . VAL B 1 309 ? 49.218 -34.408 23.560 1.00 19.28 ? 326 VAL B O 1 ATOM 5633 C CB . VAL B 1 309 ? 51.400 -34.366 21.420 1.00 18.96 ? 326 VAL B CB 1 ATOM 5634 C CG1 . VAL B 1 309 ? 51.051 -35.594 20.588 1.00 21.55 ? 326 VAL B CG1 1 ATOM 5635 C CG2 . VAL B 1 309 ? 52.552 -33.573 20.778 1.00 21.38 ? 326 VAL B CG2 1 ATOM 5636 N N . TYR B 1 310 ? 48.071 -34.624 21.627 1.00 17.16 ? 327 TYR B N 1 ATOM 5637 C CA . TYR B 1 310 ? 46.988 -35.427 22.185 1.00 18.64 ? 327 TYR B CA 1 ATOM 5638 C C . TYR B 1 310 ? 47.035 -36.789 21.536 1.00 20.10 ? 327 TYR B C 1 ATOM 5639 O O . TYR B 1 310 ? 47.390 -36.929 20.364 1.00 19.86 ? 327 TYR B O 1 ATOM 5640 C CB . TYR B 1 310 ? 45.627 -34.814 21.879 1.00 16.20 ? 327 TYR B CB 1 ATOM 5641 C CG . TYR B 1 310 ? 45.349 -33.529 22.594 1.00 16.38 ? 327 TYR B CG 1 ATOM 5642 C CD1 . TYR B 1 310 ? 46.013 -32.366 22.238 1.00 20.04 ? 327 TYR B CD1 1 ATOM 5643 C CD2 . TYR B 1 310 ? 44.411 -33.477 23.611 1.00 23.97 ? 327 TYR B CD2 1 ATOM 5644 C CE1 . TYR B 1 310 ? 45.764 -31.177 22.900 1.00 24.02 ? 327 TYR B CE1 1 ATOM 5645 C CE2 . TYR B 1 310 ? 44.154 -32.285 24.282 1.00 28.06 ? 327 TYR B CE2 1 ATOM 5646 C CZ . TYR B 1 310 ? 44.847 -31.149 23.915 1.00 24.07 ? 327 TYR B CZ 1 ATOM 5647 O OH . TYR B 1 310 ? 44.588 -29.971 24.565 1.00 42.20 ? 327 TYR B OH 1 ATOM 5648 N N . MET B 1 311 ? 46.631 -37.794 22.289 1.00 19.12 ? 328 MET B N 1 ATOM 5649 C CA . MET B 1 311 ? 46.614 -39.164 21.791 1.00 17.64 ? 328 MET B CA 1 ATOM 5650 C C . MET B 1 311 ? 45.324 -39.836 22.238 1.00 21.15 ? 328 MET B C 1 ATOM 5651 O O . MET B 1 311 ? 44.926 -39.719 23.410 1.00 21.04 ? 328 MET B O 1 ATOM 5652 C CB . MET B 1 311 ? 47.826 -39.942 22.303 1.00 19.31 ? 328 MET B CB 1 ATOM 5653 C CG . MET B 1 311 ? 48.019 -41.313 21.664 1.00 24.66 ? 328 MET B CG 1 ATOM 5654 S SD . MET B 1 311 ? 47.041 -42.612 22.460 1.00 29.99 ? 328 MET B SD 1 ATOM 5655 C CE . MET B 1 311 ? 48.042 -43.071 23.871 1.00 36.39 ? 328 MET B CE 1 ATOM 5656 N N . ARG B 1 312 ? 44.694 -40.542 21.301 1.00 20.33 ? 329 ARG B N 1 ATOM 5657 C CA . ARG B 1 312 ? 43.525 -41.365 21.578 1.00 20.71 ? 329 ARG B CA 1 ATOM 5658 C C . ARG B 1 312 ? 43.769 -42.802 21.143 1.00 21.11 ? 329 ARG B C 1 ATOM 5659 O O . ARG B 1 312 ? 44.040 -43.066 19.959 1.00 21.79 ? 329 ARG B O 1 ATOM 5660 C CB . ARG B 1 312 ? 42.292 -40.834 20.849 1.00 20.43 ? 329 ARG B CB 1 ATOM 5661 C CG . ARG B 1 312 ? 41.084 -41.647 21.168 1.00 20.11 ? 329 ARG B CG 1 ATOM 5662 C CD . ARG B 1 312 ? 39.805 -41.131 20.560 1.00 19.87 ? 329 ARG B CD 1 ATOM 5663 N NE . ARG B 1 312 ? 38.793 -42.136 20.817 1.00 21.99 ? 329 ARG B NE 1 ATOM 5664 C CZ . ARG B 1 312 ? 37.544 -42.139 20.377 1.00 18.66 ? 329 ARG B CZ 1 ATOM 5665 N NH1 . ARG B 1 312 ? 36.789 -43.184 20.669 1.00 19.93 ? 329 ARG B NH1 1 ATOM 5666 N NH2 . ARG B 1 312 ? 37.047 -41.125 19.669 1.00 19.76 ? 329 ARG B NH2 1 ATOM 5667 N N . PRO B 1 313 ? 43.641 -43.752 22.084 1.00 21.91 ? 330 PRO B N 1 ATOM 5668 C CA . PRO B 1 313 ? 43.745 -45.142 21.694 1.00 22.27 ? 330 PRO B CA 1 ATOM 5669 C C . PRO B 1 313 ? 42.537 -45.594 20.905 1.00 21.07 ? 330 PRO B C 1 ATOM 5670 O O . PRO B 1 313 ? 41.422 -45.208 21.224 1.00 21.88 ? 330 PRO B O 1 ATOM 5671 C CB . PRO B 1 313 ? 43.824 -45.900 23.029 1.00 28.31 ? 330 PRO B CB 1 ATOM 5672 C CG . PRO B 1 313 ? 43.868 -44.870 24.091 1.00 31.48 ? 330 PRO B CG 1 ATOM 5673 C CD . PRO B 1 313 ? 43.424 -43.585 23.532 1.00 23.98 ? 330 PRO B CD 1 ATOM 5674 N N . LEU B 1 314 ? 42.781 -46.431 19.902 1.00 23.03 ? 331 LEU B N 1 ATOM 5675 C CA . LEU B 1 314 ? 41.753 -46.909 18.992 1.00 22.58 ? 331 LEU B CA 1 ATOM 5676 C C . LEU B 1 314 ? 41.792 -48.429 18.848 1.00 25.07 ? 331 LEU B C 1 ATOM 5677 O O . LEU B 1 314 ? 42.699 -49.112 19.358 1.00 26.43 ? 331 LEU B O 1 ATOM 5678 C CB . LEU B 1 314 ? 41.930 -46.262 17.617 1.00 22.30 ? 331 LEU B CB 1 ATOM 5679 C CG . LEU B 1 314 ? 41.979 -44.729 17.558 1.00 22.35 ? 331 LEU B CG 1 ATOM 5680 C CD1 . LEU B 1 314 ? 42.312 -44.277 16.126 1.00 21.95 ? 331 LEU B CD1 1 ATOM 5681 C CD2 . LEU B 1 314 ? 40.656 -44.088 18.018 1.00 21.55 ? 331 LEU B CD2 1 ATOM 5682 N N . SER B 1 315 ? 40.804 -48.949 18.130 1.00 24.65 ? 332 SER B N 1 ATOM 5683 C CA . SER B 1 315 ? 40.709 -50.371 17.810 1.00 29.12 ? 332 SER B CA 1 ATOM 5684 C C . SER B 1 315 ? 41.905 -50.863 17.020 1.00 28.85 ? 332 SER B C 1 ATOM 5685 O O . SER B 1 315 ? 42.571 -50.085 16.323 1.00 31.12 ? 332 SER B O 1 ATOM 5686 C CB . SER B 1 315 ? 39.453 -50.620 16.977 1.00 29.32 ? 332 SER B CB 1 ATOM 5687 O OG . SER B 1 315 ? 38.307 -50.369 17.741 1.00 36.30 ? 332 SER B OG 1 ATOM 5688 N N . ASN B 1 316 ? 42.169 -52.164 17.136 1.00 36.30 ? 333 ASN B N 1 ATOM 5689 C CA . ASN B 1 316 ? 43.226 -52.836 16.367 1.00 35.29 ? 333 ASN B CA 1 ATOM 5690 C C . ASN B 1 316 ? 44.616 -52.240 16.585 1.00 34.88 ? 333 ASN B C 1 ATOM 5691 O O . ASN B 1 316 ? 45.415 -52.146 15.652 1.00 44.21 ? 333 ASN B O 1 ATOM 5692 C CB . ASN B 1 316 ? 42.865 -52.851 14.879 1.00 40.00 ? 333 ASN B CB 1 ATOM 5693 C CG . ASN B 1 316 ? 41.528 -53.510 14.616 1.00 47.24 ? 333 ASN B CG 1 ATOM 5694 O OD1 . ASN B 1 316 ? 41.239 -54.580 15.151 1.00 55.42 ? 333 ASN B OD1 1 ATOM 5695 N ND2 . ASN B 1 316 ? 40.711 -52.883 13.783 1.00 51.89 ? 333 ASN B ND2 1 ATOM 5696 N N . LYS B 1 317 ? 44.888 -51.868 17.838 1.00 34.64 ? 334 LYS B N 1 ATOM 5697 C CA . LYS B 1 317 ? 46.173 -51.317 18.282 1.00 36.90 ? 334 LYS B CA 1 ATOM 5698 C C . LYS B 1 317 ? 46.587 -50.048 17.525 1.00 31.88 ? 334 LYS B C 1 ATOM 5699 O O . LYS B 1 317 ? 47.768 -49.701 17.484 1.00 37.35 ? 334 LYS B O 1 ATOM 5700 C CB . LYS B 1 317 ? 47.281 -52.384 18.206 1.00 46.31 ? 334 LYS B CB 1 ATOM 5701 C CG . LYS B 1 317 ? 47.093 -53.569 19.169 1.00 63.02 ? 334 LYS B CG 1 ATOM 5702 C CD . LYS B 1 317 ? 47.254 -53.155 20.636 1.00 78.09 ? 334 LYS B CD 1 ATOM 5703 C CE . LYS B 1 317 ? 47.899 -54.258 21.477 1.00 85.99 ? 334 LYS B CE 1 ATOM 5704 N NZ . LYS B 1 317 ? 47.206 -55.569 21.342 1.00 90.91 ? 334 LYS B NZ 1 ATOM 5705 N N . ALA B 1 318 ? 45.608 -49.353 16.949 1.00 28.63 ? 335 ALA B N 1 ATOM 5706 C CA . ALA B 1 318 ? 45.837 -48.066 16.309 1.00 28.25 ? 335 ALA B CA 1 ATOM 5707 C C . ALA B 1 318 ? 45.695 -46.925 17.336 1.00 29.15 ? 335 ALA B C 1 ATOM 5708 O O . ALA B 1 318 ? 45.218 -47.125 18.465 1.00 27.27 ? 335 ALA B O 1 ATOM 5709 C CB . ALA B 1 318 ? 44.877 -47.870 15.132 1.00 29.05 ? 335 ALA B CB 1 ATOM 5710 N N . SER B 1 319 ? 46.146 -45.740 16.936 1.00 24.68 ? 336 SER B N 1 ATOM 5711 C CA . SER B 1 319 ? 46.069 -44.528 17.753 1.00 24.04 ? 336 SER B CA 1 ATOM 5712 C C . SER B 1 319 ? 45.762 -43.338 16.846 1.00 23.29 ? 336 SER B C 1 ATOM 5713 O O . SER B 1 319 ? 46.047 -43.379 15.644 1.00 25.20 ? 336 SER B O 1 ATOM 5714 C CB . SER B 1 319 ? 47.415 -44.279 18.458 1.00 27.36 ? 336 SER B CB 1 ATOM 5715 O OG . SER B 1 319 ? 47.734 -45.317 19.366 1.00 32.00 ? 336 SER B OG 1 ATOM 5716 N N . ALA B 1 320 ? 45.169 -42.293 17.425 1.00 22.16 ? 337 ALA B N 1 ATOM 5717 C CA . ALA B 1 320 ? 45.080 -40.988 16.782 1.00 21.10 ? 337 ALA B CA 1 ATOM 5718 C C . ALA B 1 320 ? 46.020 -40.058 17.532 1.00 22.49 ? 337 ALA B C 1 ATOM 5719 O O . ALA B 1 320 ? 46.026 -40.038 18.758 1.00 21.93 ? 337 ALA B O 1 ATOM 5720 C CB . ALA B 1 320 ? 43.651 -40.447 16.833 1.00 21.17 ? 337 ALA B CB 1 ATOM 5721 N N . LEU B 1 321 ? 46.819 -39.293 16.794 1.00 18.73 ? 338 LEU B N 1 ATOM 5722 C CA . LEU B 1 321 ? 47.662 -38.259 17.370 1.00 19.13 ? 338 LEU B CA 1 ATOM 5723 C C . LEU B 1 321 ? 47.224 -36.931 16.800 1.00 17.85 ? 338 LEU B C 1 ATOM 5724 O O . LEU B 1 321 ? 46.991 -36.830 15.609 1.00 18.30 ? 338 LEU B O 1 ATOM 5725 C CB . LEU B 1 321 ? 49.128 -38.514 17.034 1.00 21.61 ? 338 LEU B CB 1 ATOM 5726 C CG . LEU B 1 321 ? 49.813 -39.640 17.814 1.00 21.96 ? 338 LEU B CG 1 ATOM 5727 C CD1 . LEU B 1 321 ? 51.180 -39.955 17.175 1.00 22.91 ? 338 LEU B CD1 1 ATOM 5728 C CD2 . LEU B 1 321 ? 49.969 -39.258 19.289 1.00 24.73 ? 338 LEU B CD2 1 ATOM 5729 N N . VAL B 1 322 ? 47.066 -35.934 17.665 1.00 17.55 ? 339 VAL B N 1 ATOM 5730 C CA . VAL B 1 322 ? 46.798 -34.558 17.214 1.00 15.50 ? 339 VAL B CA 1 ATOM 5731 C C . VAL B 1 322 ? 47.913 -33.683 17.746 1.00 18.45 ? 339 VAL B C 1 ATOM 5732 O O . VAL B 1 322 ? 48.139 -33.630 18.957 1.00 17.35 ? 339 VAL B O 1 ATOM 5733 C CB . VAL B 1 322 ? 45.444 -34.011 17.708 1.00 17.68 ? 339 VAL B CB 1 ATOM 5734 C CG1 . VAL B 1 322 ? 45.272 -32.517 17.325 1.00 15.24 ? 339 VAL B CG1 1 ATOM 5735 C CG2 . VAL B 1 322 ? 44.299 -34.849 17.105 1.00 16.42 ? 339 VAL B CG2 1 ATOM 5736 N N . PHE B 1 323 ? 48.643 -33.066 16.829 1.00 16.44 ? 340 PHE B N 1 ATOM 5737 C CA . PHE B 1 323 ? 49.717 -32.121 17.166 1.00 16.69 ? 340 PHE B CA 1 ATOM 5738 C C . PHE B 1 323 ? 49.064 -30.756 17.018 1.00 16.17 ? 340 PHE B C 1 ATOM 5739 O O . PHE B 1 323 ? 48.601 -30.409 15.922 1.00 16.74 ? 340 PHE B O 1 ATOM 5740 C CB . PHE B 1 323 ? 50.870 -32.262 16.172 1.00 16.33 ? 340 PHE B CB 1 ATOM 5741 C CG . PHE B 1 323 ? 51.414 -33.660 16.044 1.00 18.61 ? 340 PHE B CG 1 ATOM 5742 C CD1 . PHE B 1 323 ? 52.378 -34.120 16.918 1.00 23.09 ? 340 PHE B CD1 1 ATOM 5743 C CD2 . PHE B 1 323 ? 50.984 -34.504 15.022 1.00 19.67 ? 340 PHE B CD2 1 ATOM 5744 C CE1 . PHE B 1 323 ? 52.903 -35.396 16.787 1.00 26.00 ? 340 PHE B CE1 1 ATOM 5745 C CE2 . PHE B 1 323 ? 51.497 -35.779 14.891 1.00 21.56 ? 340 PHE B CE2 1 ATOM 5746 C CZ . PHE B 1 323 ? 52.460 -36.222 15.783 1.00 20.66 ? 340 PHE B CZ 1 ATOM 5747 N N . PHE B 1 324 ? 49.011 -29.985 18.100 1.00 16.76 ? 341 PHE B N 1 ATOM 5748 C CA . PHE B 1 324 ? 48.203 -28.765 18.158 1.00 16.06 ? 341 PHE B CA 1 ATOM 5749 C C . PHE B 1 324 ? 49.081 -27.583 18.500 1.00 15.30 ? 341 PHE B C 1 ATOM 5750 O O . PHE B 1 324 ? 49.759 -27.600 19.505 1.00 17.16 ? 341 PHE B O 1 ATOM 5751 C CB . PHE B 1 324 ? 47.106 -28.981 19.223 1.00 15.01 ? 341 PHE B CB 1 ATOM 5752 C CG . PHE B 1 324 ? 46.221 -27.787 19.506 1.00 13.82 ? 341 PHE B CG 1 ATOM 5753 C CD1 . PHE B 1 324 ? 45.809 -27.529 20.804 1.00 17.08 ? 341 PHE B CD1 1 ATOM 5754 C CD2 . PHE B 1 324 ? 45.749 -26.965 18.497 1.00 13.35 ? 341 PHE B CD2 1 ATOM 5755 C CE1 . PHE B 1 324 ? 44.974 -26.476 21.092 1.00 20.87 ? 341 PHE B CE1 1 ATOM 5756 C CE2 . PHE B 1 324 ? 44.914 -25.904 18.797 1.00 15.96 ? 341 PHE B CE2 1 ATOM 5757 C CZ . PHE B 1 324 ? 44.521 -25.660 20.080 1.00 17.40 ? 341 PHE B CZ 1 ATOM 5758 N N . SER B 1 325 ? 49.066 -26.548 17.662 1.00 14.80 ? 342 SER B N 1 ATOM 5759 C CA . SER B 1 325 ? 49.843 -25.357 17.912 1.00 14.29 ? 342 SER B CA 1 ATOM 5760 C C . SER B 1 325 ? 49.024 -24.271 18.573 1.00 16.07 ? 342 SER B C 1 ATOM 5761 O O . SER B 1 325 ? 48.093 -23.752 17.974 1.00 17.19 ? 342 SER B O 1 ATOM 5762 C CB . SER B 1 325 ? 50.423 -24.794 16.624 1.00 17.28 ? 342 SER B CB 1 ATOM 5763 O OG . SER B 1 325 ? 51.071 -23.577 16.918 1.00 17.42 ? 342 SER B OG 1 ATOM 5764 N N A CYS B 1 326 ? 49.407 -23.929 19.796 0.50 15.99 ? 343 CYS B N 1 ATOM 5765 N N B CYS B 1 326 ? 49.344 -23.915 19.813 0.50 17.56 ? 343 CYS B N 1 ATOM 5766 C CA A CYS B 1 326 ? 48.838 -22.800 20.510 0.50 17.83 ? 343 CYS B CA 1 ATOM 5767 C CA B CYS B 1 326 ? 48.748 -22.719 20.423 0.50 19.68 ? 343 CYS B CA 1 ATOM 5768 C C A CYS B 1 326 ? 49.557 -21.491 20.150 0.50 16.45 ? 343 CYS B C 1 ATOM 5769 C C B CYS B 1 326 ? 49.680 -21.509 20.263 0.50 22.53 ? 343 CYS B C 1 ATOM 5770 O O A CYS B 1 326 ? 49.187 -20.416 20.653 0.50 20.67 ? 343 CYS B O 1 ATOM 5771 O O B CYS B 1 326 ? 49.621 -20.538 21.038 0.50 20.89 ? 343 CYS B O 1 ATOM 5772 C CB A CYS B 1 326 ? 48.924 -23.064 22.019 0.50 13.25 ? 343 CYS B CB 1 ATOM 5773 C CB B CYS B 1 326 ? 48.390 -22.954 21.895 0.50 28.88 ? 343 CYS B CB 1 ATOM 5774 S SG A CYS B 1 326 ? 48.037 -24.563 22.514 0.50 24.93 ? 343 CYS B SG 1 ATOM 5775 S SG B CYS B 1 326 ? 46.862 -23.924 22.114 0.50 25.53 ? 343 CYS B SG 1 ATOM 5776 N N . ARG B 1 327 ? 50.547 -21.570 19.255 1.00 16.86 ? 344 ARG B N 1 ATOM 5777 C CA . ARG B 1 327 ? 51.321 -20.403 18.851 1.00 18.15 ? 344 ARG B CA 1 ATOM 5778 C C . ARG B 1 327 ? 50.445 -19.458 18.036 1.00 19.20 ? 344 ARG B C 1 ATOM 5779 O O . ARG B 1 327 ? 49.456 -19.881 17.444 1.00 17.76 ? 344 ARG B O 1 ATOM 5780 C CB . ARG B 1 327 ? 52.514 -20.795 17.992 1.00 18.79 ? 344 ARG B CB 1 ATOM 5781 C CG . ARG B 1 327 ? 53.434 -21.820 18.638 1.00 18.14 ? 344 ARG B CG 1 ATOM 5782 C CD . ARG B 1 327 ? 54.636 -22.087 17.728 1.00 21.04 ? 344 ARG B CD 1 ATOM 5783 N NE . ARG B 1 327 ? 55.478 -20.905 17.557 1.00 18.93 ? 344 ARG B NE 1 ATOM 5784 C CZ . ARG B 1 327 ? 56.484 -20.568 18.368 1.00 23.63 ? 344 ARG B CZ 1 ATOM 5785 N NH1 . ARG B 1 327 ? 56.765 -21.300 19.436 1.00 24.84 ? 344 ARG B NH1 1 ATOM 5786 N NH2 . ARG B 1 327 ? 57.200 -19.473 18.124 1.00 27.19 ? 344 ARG B NH2 1 ATOM 5787 N N . THR B 1 328 ? 50.839 -18.194 18.014 1.00 17.68 ? 345 THR B N 1 ATOM 5788 C CA . THR B 1 328 ? 50.076 -17.159 17.325 1.00 16.81 ? 345 THR B CA 1 ATOM 5789 C C . THR B 1 328 ? 50.979 -16.347 16.396 1.00 17.54 ? 345 THR B C 1 ATOM 5790 O O . THR B 1 328 ? 50.777 -15.150 16.188 1.00 16.95 ? 345 THR B O 1 ATOM 5791 C CB . THR B 1 328 ? 49.334 -16.243 18.316 1.00 19.23 ? 345 THR B CB 1 ATOM 5792 O OG1 . THR B 1 328 ? 50.254 -15.737 19.268 1.00 21.49 ? 345 THR B OG1 1 ATOM 5793 C CG2 . THR B 1 328 ? 48.179 -17.001 19.014 1.00 23.27 ? 345 THR B CG2 1 ATOM 5794 N N . ASP B 1 329 ? 51.976 -17.023 15.813 1.00 17.88 ? 346 ASP B N 1 ATOM 5795 C CA . ASP B 1 329 ? 52.923 -16.366 14.930 1.00 18.46 ? 346 ASP B CA 1 ATOM 5796 C C . ASP B 1 329 ? 52.917 -16.898 13.496 1.00 19.55 ? 346 ASP B C 1 ATOM 5797 O O . ASP B 1 329 ? 52.480 -16.226 12.579 1.00 23.42 ? 346 ASP B O 1 ATOM 5798 C CB . ASP B 1 329 ? 54.338 -16.310 15.551 1.00 17.67 ? 346 ASP B CB 1 ATOM 5799 C CG . ASP B 1 329 ? 54.970 -17.681 15.835 1.00 21.18 ? 346 ASP B CG 1 ATOM 5800 O OD1 . ASP B 1 329 ? 54.274 -18.710 15.935 1.00 18.61 ? 346 ASP B OD1 1 ATOM 5801 O OD2 . ASP B 1 329 ? 56.219 -17.700 15.993 1.00 25.92 ? 346 ASP B OD2 1 ATOM 5802 N N . MET B 1 330 ? 53.404 -18.105 13.301 1.00 17.03 ? 347 MET B N 1 ATOM 5803 C CA . MET B 1 330 ? 53.603 -18.638 11.953 1.00 19.96 ? 347 MET B CA 1 ATOM 5804 C C . MET B 1 330 ? 53.730 -20.158 12.005 1.00 17.82 ? 347 MET B C 1 ATOM 5805 O O . MET B 1 330 ? 53.736 -20.757 13.086 1.00 18.62 ? 347 MET B O 1 ATOM 5806 C CB . MET B 1 330 ? 54.834 -17.980 11.324 1.00 23.62 ? 347 MET B CB 1 ATOM 5807 C CG . MET B 1 330 ? 56.130 -18.328 12.001 1.00 22.49 ? 347 MET B CG 1 ATOM 5808 S SD . MET B 1 330 ? 57.524 -17.355 11.373 1.00 23.81 ? 347 MET B SD 1 ATOM 5809 C CE . MET B 1 330 ? 58.732 -18.096 12.438 1.00 34.49 ? 347 MET B CE 1 ATOM 5810 N N . PRO B 1 331 ? 53.770 -20.820 10.838 1.00 19.18 ? 348 PRO B N 1 ATOM 5811 C CA . PRO B 1 331 ? 53.895 -22.269 10.874 1.00 19.34 ? 348 PRO B CA 1 ATOM 5812 C C . PRO B 1 331 ? 55.131 -22.699 11.665 1.00 17.69 ? 348 PRO B C 1 ATOM 5813 O O . PRO B 1 331 ? 56.159 -21.995 11.658 1.00 19.67 ? 348 PRO B O 1 ATOM 5814 C CB . PRO B 1 331 ? 54.033 -22.653 9.391 1.00 21.46 ? 348 PRO B CB 1 ATOM 5815 C CG . PRO B 1 331 ? 53.336 -21.547 8.668 1.00 20.41 ? 348 PRO B CG 1 ATOM 5816 C CD . PRO B 1 331 ? 53.648 -20.310 9.456 1.00 18.79 ? 348 PRO B CD 1 ATOM 5817 N N . TYR B 1 332 ? 54.999 -23.810 12.375 1.00 19.57 ? 349 TYR B N 1 ATOM 5818 C CA . TYR B 1 332 ? 56.049 -24.315 13.225 1.00 21.40 ? 349 TYR B CA 1 ATOM 5819 C C . TYR B 1 332 ? 56.413 -25.722 12.795 1.00 21.47 ? 349 TYR B C 1 ATOM 5820 O O . TYR B 1 332 ? 55.546 -26.566 12.617 1.00 18.47 ? 349 TYR B O 1 ATOM 5821 C CB . TYR B 1 332 ? 55.580 -24.313 14.691 1.00 22.27 ? 349 TYR B CB 1 ATOM 5822 C CG . TYR B 1 332 ? 56.678 -24.644 15.684 1.00 19.12 ? 349 TYR B CG 1 ATOM 5823 C CD1 . TYR B 1 332 ? 57.519 -23.653 16.180 1.00 23.15 ? 349 TYR B CD1 1 ATOM 5824 C CD2 . TYR B 1 332 ? 56.867 -25.947 16.123 1.00 23.19 ? 349 TYR B CD2 1 ATOM 5825 C CE1 . TYR B 1 332 ? 58.536 -23.961 17.082 1.00 25.33 ? 349 TYR B CE1 1 ATOM 5826 C CE2 . TYR B 1 332 ? 57.884 -26.265 17.034 1.00 25.05 ? 349 TYR B CE2 1 ATOM 5827 C CZ . TYR B 1 332 ? 58.704 -25.264 17.503 1.00 27.65 ? 349 TYR B CZ 1 ATOM 5828 O OH . TYR B 1 332 ? 59.698 -25.571 18.400 1.00 34.40 ? 349 TYR B OH 1 ATOM 5829 N N . ARG B 1 333 ? 57.716 -25.975 12.665 1.00 22.95 ? 350 ARG B N 1 ATOM 5830 C CA . ARG B 1 333 ? 58.221 -27.311 12.358 1.00 25.98 ? 350 ARG B CA 1 ATOM 5831 C C . ARG B 1 333 ? 58.473 -28.059 13.665 1.00 25.54 ? 350 ARG B C 1 ATOM 5832 O O . ARG B 1 333 ? 59.441 -27.775 14.386 1.00 27.77 ? 350 ARG B O 1 ATOM 5833 C CB . ARG B 1 333 ? 59.524 -27.222 11.589 1.00 29.10 ? 350 ARG B CB 1 ATOM 5834 C CG . ARG B 1 333 ? 59.441 -26.697 10.189 1.00 36.11 ? 350 ARG B CG 1 ATOM 5835 C CD . ARG B 1 333 ? 60.881 -26.492 9.680 1.00 51.03 ? 350 ARG B CD 1 ATOM 5836 N NE . ARG B 1 333 ? 61.035 -26.799 8.264 1.00 70.05 ? 350 ARG B NE 1 ATOM 5837 C CZ . ARG B 1 333 ? 60.626 -26.012 7.273 1.00 84.51 ? 350 ARG B CZ 1 ATOM 5838 N NH1 . ARG B 1 333 ? 60.010 -24.860 7.531 1.00 93.17 ? 350 ARG B NH1 1 ATOM 5839 N NH2 . ARG B 1 333 ? 60.822 -26.383 6.011 1.00 84.45 ? 350 ARG B NH2 1 ATOM 5840 N N . TYR B 1 334 ? 57.582 -28.984 13.984 1.00 23.82 ? 351 TYR B N 1 ATOM 5841 C CA . TYR B 1 334 ? 57.629 -29.715 15.240 1.00 24.26 ? 351 TYR B CA 1 ATOM 5842 C C . TYR B 1 334 ? 58.371 -31.017 14.991 1.00 24.61 ? 351 TYR B C 1 ATOM 5843 O O . TYR B 1 334 ? 57.944 -31.830 14.168 1.00 24.23 ? 351 TYR B O 1 ATOM 5844 C CB . TYR B 1 334 ? 56.218 -29.990 15.757 1.00 22.65 ? 351 TYR B CB 1 ATOM 5845 C CG . TYR B 1 334 ? 56.190 -30.789 17.041 1.00 24.25 ? 351 TYR B CG 1 ATOM 5846 C CD1 . TYR B 1 334 ? 56.776 -30.293 18.199 1.00 24.49 ? 351 TYR B CD1 1 ATOM 5847 C CD2 . TYR B 1 334 ? 55.574 -32.036 17.099 1.00 25.25 ? 351 TYR B CD2 1 ATOM 5848 C CE1 . TYR B 1 334 ? 56.749 -31.025 19.399 1.00 30.62 ? 351 TYR B CE1 1 ATOM 5849 C CE2 . TYR B 1 334 ? 55.539 -32.771 18.290 1.00 26.58 ? 351 TYR B CE2 1 ATOM 5850 C CZ . TYR B 1 334 ? 56.133 -32.257 19.432 1.00 27.45 ? 351 TYR B CZ 1 ATOM 5851 O OH . TYR B 1 334 ? 56.106 -32.978 20.611 1.00 34.54 ? 351 TYR B OH 1 ATOM 5852 N N . HIS B 1 335 ? 59.487 -31.181 15.696 1.00 28.01 ? 352 HIS B N 1 ATOM 5853 C CA . HIS B 1 335 ? 60.359 -32.339 15.566 1.00 29.98 ? 352 HIS B CA 1 ATOM 5854 C C . HIS B 1 335 ? 60.100 -33.266 16.744 1.00 31.54 ? 352 HIS B C 1 ATOM 5855 O O . HIS B 1 335 ? 60.177 -32.848 17.902 1.00 33.85 ? 352 HIS B O 1 ATOM 5856 C CB . HIS B 1 335 ? 61.827 -31.892 15.586 1.00 33.35 ? 352 HIS B CB 1 ATOM 5857 C CG . HIS B 1 335 ? 62.158 -30.851 14.559 1.00 39.89 ? 352 HIS B CG 1 ATOM 5858 N ND1 . HIS B 1 335 ? 62.247 -31.136 13.214 1.00 50.54 ? 352 HIS B ND1 1 ATOM 5859 C CD2 . HIS B 1 335 ? 62.426 -29.530 14.682 1.00 42.88 ? 352 HIS B CD2 1 ATOM 5860 C CE1 . HIS B 1 335 ? 62.555 -30.035 12.552 1.00 46.22 ? 352 HIS B CE1 1 ATOM 5861 N NE2 . HIS B 1 335 ? 62.669 -29.045 13.420 1.00 39.24 ? 352 HIS B NE2 1 ATOM 5862 N N . SER B 1 336 ? 59.774 -34.520 16.463 1.00 31.02 ? 353 SER B N 1 ATOM 5863 C CA . SER B 1 336 ? 59.532 -35.473 17.527 1.00 31.56 ? 353 SER B CA 1 ATOM 5864 C C . SER B 1 336 ? 59.833 -36.889 17.058 1.00 30.93 ? 353 SER B C 1 ATOM 5865 O O . SER B 1 336 ? 60.429 -37.088 16.002 1.00 32.37 ? 353 SER B O 1 ATOM 5866 C CB . SER B 1 336 ? 58.083 -35.360 18.012 1.00 33.98 ? 353 SER B CB 1 ATOM 5867 O OG . SER B 1 336 ? 57.892 -36.063 19.227 1.00 38.25 ? 353 SER B OG 1 ATOM 5868 N N . SER B 1 337 ? 59.435 -37.862 17.864 1.00 32.59 ? 354 SER B N 1 ATOM 5869 C CA . SER B 1 337 ? 59.514 -39.260 17.479 1.00 31.64 ? 354 SER B CA 1 ATOM 5870 C C . SER B 1 337 ? 58.499 -39.998 18.319 1.00 30.36 ? 354 SER B C 1 ATOM 5871 O O . SER B 1 337 ? 58.078 -39.506 19.371 1.00 32.45 ? 354 SER B O 1 ATOM 5872 C CB . SER B 1 337 ? 60.923 -39.821 17.723 1.00 34.61 ? 354 SER B CB 1 ATOM 5873 O OG . SER B 1 337 ? 61.189 -39.924 19.111 1.00 36.82 ? 354 SER B OG 1 ATOM 5874 N N . LEU B 1 338 ? 58.099 -41.176 17.872 1.00 31.85 ? 355 LEU B N 1 ATOM 5875 C CA . LEU B 1 338 ? 57.079 -41.919 18.605 1.00 33.07 ? 355 LEU B CA 1 ATOM 5876 C C . LEU B 1 338 ? 57.580 -42.310 20.000 1.00 37.38 ? 355 LEU B C 1 ATOM 5877 O O . LEU B 1 338 ? 56.812 -42.274 20.967 1.00 33.95 ? 355 LEU B O 1 ATOM 5878 C CB . LEU B 1 338 ? 56.603 -43.122 17.800 1.00 32.32 ? 355 LEU B CB 1 ATOM 5879 C CG . LEU B 1 338 ? 55.816 -42.758 16.534 1.00 30.37 ? 355 LEU B CG 1 ATOM 5880 C CD1 . LEU B 1 338 ? 55.400 -44.037 15.828 1.00 29.74 ? 355 LEU B CD1 1 ATOM 5881 C CD2 . LEU B 1 338 ? 54.581 -41.860 16.835 1.00 30.68 ? 355 LEU B CD2 1 ATOM 5882 N N . GLY B 1 339 ? 58.873 -42.605 20.118 1.00 36.24 ? 356 GLY B N 1 ATOM 5883 C CA . GLY B 1 339 ? 59.473 -42.928 21.415 1.00 39.58 ? 356 GLY B CA 1 ATOM 5884 C C . GLY B 1 339 ? 59.377 -41.795 22.424 1.00 38.30 ? 356 GLY B C 1 ATOM 5885 O O . GLY B 1 339 ? 59.165 -42.030 23.614 1.00 44.70 ? 356 GLY B O 1 ATOM 5886 N N . GLN B 1 340 ? 59.520 -40.562 21.946 1.00 35.33 ? 357 GLN B N 1 ATOM 5887 C CA . GLN B 1 340 ? 59.329 -39.377 22.788 1.00 35.52 ? 357 GLN B CA 1 ATOM 5888 C C . GLN B 1 340 ? 57.858 -39.136 23.158 1.00 34.86 ? 357 GLN B C 1 ATOM 5889 O O . GLN B 1 340 ? 57.567 -38.334 24.045 1.00 37.65 ? 357 GLN B O 1 ATOM 5890 C CB . GLN B 1 340 ? 59.893 -38.134 22.101 1.00 36.71 ? 357 GLN B CB 1 ATOM 5891 C CG . GLN B 1 340 ? 61.411 -38.146 21.952 1.00 45.47 ? 357 GLN B CG 1 ATOM 5892 C CD . GLN B 1 340 ? 61.914 -37.025 21.058 1.00 55.45 ? 357 GLN B CD 1 ATOM 5893 O OE1 . GLN B 1 340 ? 62.136 -35.902 21.512 1.00 70.36 ? 357 GLN B OE1 1 ATOM 5894 N NE2 . GLN B 1 340 ? 62.093 -37.327 19.777 1.00 45.42 ? 357 GLN B NE2 1 ATOM 5895 N N . LEU B 1 341 ? 56.943 -39.812 22.467 1.00 35.25 ? 358 LEU B N 1 ATOM 5896 C CA . LEU B 1 341 ? 55.514 -39.736 22.775 1.00 31.81 ? 358 LEU B CA 1 ATOM 5897 C C . LEU B 1 341 ? 55.020 -41.023 23.441 1.00 38.28 ? 358 LEU B C 1 ATOM 5898 O O . LEU B 1 341 ? 53.848 -41.399 23.313 1.00 37.92 ? 358 LEU B O 1 ATOM 5899 C CB . LEU B 1 341 ? 54.724 -39.422 21.499 1.00 31.74 ? 358 LEU B CB 1 ATOM 5900 C CG . LEU B 1 341 ? 55.151 -38.123 20.821 1.00 28.51 ? 358 LEU B CG 1 ATOM 5901 C CD1 . LEU B 1 341 ? 54.502 -37.997 19.456 1.00 30.05 ? 358 LEU B CD1 1 ATOM 5902 C CD2 . LEU B 1 341 ? 54.805 -36.925 21.688 1.00 33.27 ? 358 LEU B CD2 1 ATOM 5903 N N . ASN B 1 342 ? 55.935 -41.682 24.159 1.00 41.87 ? 359 ASN B N 1 ATOM 5904 C CA . ASN B 1 342 ? 55.641 -42.865 24.989 1.00 51.19 ? 359 ASN B CA 1 ATOM 5905 C C . ASN B 1 342 ? 55.090 -44.084 24.244 1.00 44.59 ? 359 ASN B C 1 ATOM 5906 O O . ASN B 1 342 ? 54.329 -44.871 24.807 1.00 46.55 ? 359 ASN B O 1 ATOM 5907 C CB . ASN B 1 342 ? 54.720 -42.490 26.167 1.00 62.25 ? 359 ASN B CB 1 ATOM 5908 C CG . ASN B 1 342 ? 55.355 -41.476 27.110 1.00 78.27 ? 359 ASN B CG 1 ATOM 5909 O OD1 . ASN B 1 342 ? 55.989 -41.845 28.105 1.00 80.24 ? 359 ASN B OD1 1 ATOM 5910 N ND2 . ASN B 1 342 ? 55.195 -40.190 26.795 1.00 81.14 ? 359 ASN B ND2 1 ATOM 5911 N N . PHE B 1 343 ? 55.480 -44.251 22.984 1.00 41.37 ? 360 PHE B N 1 ATOM 5912 C CA . PHE B 1 343 ? 55.219 -45.502 22.272 1.00 42.24 ? 360 PHE B CA 1 ATOM 5913 C C . PHE B 1 343 ? 56.341 -46.490 22.608 1.00 50.77 ? 360 PHE B C 1 ATOM 5914 O O . PHE B 1 343 ? 57.510 -46.090 22.676 1.00 46.43 ? 360 PHE B O 1 ATOM 5915 C CB . PHE B 1 343 ? 55.100 -45.258 20.767 1.00 44.38 ? 360 PHE B CB 1 ATOM 5916 C CG . PHE B 1 343 ? 53.815 -44.585 20.376 1.00 45.12 ? 360 PHE B CG 1 ATOM 5917 C CD1 . PHE B 1 343 ? 52.755 -45.325 19.874 1.00 44.13 ? 360 PHE B CD1 1 ATOM 5918 C CD2 . PHE B 1 343 ? 53.653 -43.214 20.538 1.00 37.33 ? 360 PHE B CD2 1 ATOM 5919 C CE1 . PHE B 1 343 ? 51.557 -44.710 19.531 1.00 39.38 ? 360 PHE B CE1 1 ATOM 5920 C CE2 . PHE B 1 343 ? 52.456 -42.592 20.192 1.00 36.89 ? 360 PHE B CE2 1 ATOM 5921 C CZ . PHE B 1 343 ? 51.411 -43.343 19.687 1.00 35.32 ? 360 PHE B CZ 1 ATOM 5922 N N . THR B 1 344 ? 55.962 -47.757 22.818 1.00 61.21 ? 361 THR B N 1 ATOM 5923 C CA . THR B 1 344 ? 56.839 -48.813 23.377 1.00 71.29 ? 361 THR B CA 1 ATOM 5924 C C . THR B 1 344 ? 57.499 -49.689 22.314 1.00 75.61 ? 361 THR B C 1 ATOM 5925 O O . THR B 1 344 ? 56.865 -50.078 21.336 1.00 76.13 ? 361 THR B O 1 ATOM 5926 C CB . THR B 1 344 ? 56.055 -49.743 24.351 1.00 74.27 ? 361 THR B CB 1 ATOM 5927 O OG1 . THR B 1 344 ? 55.721 -49.027 25.544 1.00 70.83 ? 361 THR B OG1 1 ATOM 5928 C CG2 . THR B 1 344 ? 56.876 -50.983 24.730 1.00 83.07 ? 361 THR B CG2 1 ATOM 5929 N N . GLY B 1 345 ? 58.764 -50.028 22.564 1.00 82.95 ? 362 GLY B N 1 ATOM 5930 C CA . GLY B 1 345 ? 59.691 -50.577 21.568 1.00 82.14 ? 362 GLY B CA 1 ATOM 5931 C C . GLY B 1 345 ? 59.239 -51.630 20.570 1.00 77.61 ? 362 GLY B C 1 ATOM 5932 O O . GLY B 1 345 ? 58.308 -52.397 20.818 1.00 72.68 ? 362 GLY B O 1 ATOM 5933 N N . SER B 1 346 ? 59.923 -51.636 19.426 1.00 78.65 ? 363 SER B N 1 ATOM 5934 C CA . SER B 1 346 ? 59.925 -52.744 18.456 1.00 83.27 ? 363 SER B CA 1 ATOM 5935 C C . SER B 1 346 ? 58.780 -52.751 17.438 1.00 71.50 ? 363 SER B C 1 ATOM 5936 O O . SER B 1 346 ? 58.888 -53.422 16.414 1.00 76.04 ? 363 SER B O 1 ATOM 5937 C CB . SER B 1 346 ? 60.037 -54.116 19.153 1.00 87.96 ? 363 SER B CB 1 ATOM 5938 O OG . SER B 1 346 ? 58.770 -54.617 19.545 1.00 98.92 ? 363 SER B OG 1 ATOM 5939 N N . VAL B 1 347 ? 57.692 -52.031 17.695 1.00 70.09 ? 364 VAL B N 1 ATOM 5940 C CA . VAL B 1 347 ? 56.600 -51.972 16.718 1.00 62.15 ? 364 VAL B CA 1 ATOM 5941 C C . VAL B 1 347 ? 56.962 -50.956 15.632 1.00 54.93 ? 364 VAL B C 1 ATOM 5942 O O . VAL B 1 347 ? 57.460 -49.869 15.938 1.00 47.83 ? 364 VAL B O 1 ATOM 5943 C CB . VAL B 1 347 ? 55.245 -51.632 17.379 1.00 62.18 ? 364 VAL B CB 1 ATOM 5944 C CG1 . VAL B 1 347 ? 54.135 -51.567 16.337 1.00 49.98 ? 364 VAL B CG1 1 ATOM 5945 C CG2 . VAL B 1 347 ? 54.906 -52.674 18.452 1.00 61.19 ? 364 VAL B CG2 1 ATOM 5946 N N . ILE B 1 348 ? 56.771 -51.346 14.370 1.00 48.02 ? 365 ILE B N 1 ATOM 5947 C CA . ILE B 1 348 ? 56.941 -50.447 13.225 1.00 42.86 ? 365 ILE B CA 1 ATOM 5948 C C . ILE B 1 348 ? 55.567 -49.968 12.788 1.00 39.49 ? 365 ILE B C 1 ATOM 5949 O O . ILE B 1 348 ? 54.657 -50.773 12.628 1.00 39.29 ? 365 ILE B O 1 ATOM 5950 C CB . ILE B 1 348 ? 57.600 -51.132 12.016 1.00 40.15 ? 365 ILE B CB 1 ATOM 5951 C CG1 . ILE B 1 348 ? 58.979 -51.688 12.378 1.00 53.74 ? 365 ILE B CG1 1 ATOM 5952 C CG2 . ILE B 1 348 ? 57.730 -50.139 10.862 1.00 47.29 ? 365 ILE B CG2 1 ATOM 5953 C CD1 . ILE B 1 348 ? 59.665 -52.400 11.227 1.00 57.36 ? 365 ILE B CD1 1 ATOM 5954 N N . TYR B 1 349 ? 55.429 -48.660 12.581 1.00 36.16 ? 366 TYR B N 1 ATOM 5955 C CA . TYR B 1 349 ? 54.140 -48.049 12.306 1.00 31.46 ? 366 TYR B CA 1 ATOM 5956 C C . TYR B 1 349 ? 54.079 -47.377 10.939 1.00 32.07 ? 366 TYR B C 1 ATOM 5957 O O . TYR B 1 349 ? 55.094 -47.041 10.324 1.00 32.46 ? 366 TYR B O 1 ATOM 5958 C CB . TYR B 1 349 ? 53.832 -46.962 13.358 1.00 32.46 ? 366 TYR B CB 1 ATOM 5959 C CG . TYR B 1 349 ? 53.704 -47.458 14.783 1.00 32.50 ? 366 TYR B CG 1 ATOM 5960 C CD1 . TYR B 1 349 ? 52.466 -47.790 15.315 1.00 36.78 ? 366 TYR B CD1 1 ATOM 5961 C CD2 . TYR B 1 349 ? 54.823 -47.564 15.605 1.00 38.71 ? 366 TYR B CD2 1 ATOM 5962 C CE1 . TYR B 1 349 ? 52.341 -48.236 16.629 1.00 42.45 ? 366 TYR B CE1 1 ATOM 5963 C CE2 . TYR B 1 349 ? 54.710 -48.009 16.915 1.00 42.74 ? 366 TYR B CE2 1 ATOM 5964 C CZ . TYR B 1 349 ? 53.465 -48.342 17.420 1.00 44.78 ? 366 TYR B CZ 1 ATOM 5965 O OH . TYR B 1 349 ? 53.343 -48.789 18.718 1.00 51.70 ? 366 TYR B OH 1 ATOM 5966 N N . GLU B 1 350 ? 52.849 -47.150 10.506 1.00 29.16 ? 367 GLU B N 1 ATOM 5967 C CA . GLU B 1 350 ? 52.545 -46.246 9.412 1.00 27.01 ? 367 GLU B CA 1 ATOM 5968 C C . GLU B 1 350 ? 51.492 -45.243 9.888 1.00 28.40 ? 367 GLU B C 1 ATOM 5969 O O . GLU B 1 350 ? 50.686 -45.549 10.765 1.00 28.58 ? 367 GLU B O 1 ATOM 5970 C CB . GLU B 1 350 ? 52.000 -47.064 8.259 1.00 32.23 ? 367 GLU B CB 1 ATOM 5971 C CG . GLU B 1 350 ? 51.595 -46.290 7.037 1.00 32.95 ? 367 GLU B CG 1 ATOM 5972 C CD . GLU B 1 350 ? 51.532 -47.217 5.830 1.00 41.29 ? 367 GLU B CD 1 ATOM 5973 O OE1 . GLU B 1 350 ? 52.607 -47.557 5.335 1.00 35.16 ? 367 GLU B OE1 1 ATOM 5974 O OE2 . GLU B 1 350 ? 50.426 -47.614 5.408 1.00 43.64 ? 367 GLU B OE2 1 ATOM 5975 N N . ALA B 1 351 ? 51.504 -44.044 9.325 1.00 26.31 ? 368 ALA B N 1 ATOM 5976 C CA . ALA B 1 351 ? 50.523 -43.037 9.700 1.00 28.84 ? 368 ALA B CA 1 ATOM 5977 C C . ALA B 1 351 ? 49.846 -42.481 8.462 1.00 26.42 ? 368 ALA B C 1 ATOM 5978 O O . ALA B 1 351 ? 50.474 -42.357 7.409 1.00 30.08 ? 368 ALA B O 1 ATOM 5979 C CB . ALA B 1 351 ? 51.190 -41.917 10.501 1.00 26.89 ? 368 ALA B CB 1 ATOM 5980 N N . GLN B 1 352 ? 48.554 -42.181 8.579 1.00 24.33 ? 369 GLN B N 1 ATOM 5981 C CA . GLN B 1 352 ? 47.863 -41.399 7.577 1.00 22.71 ? 369 GLN B CA 1 ATOM 5982 C C . GLN B 1 352 ? 47.472 -40.048 8.146 1.00 22.79 ? 369 GLN B C 1 ATOM 5983 O O . GLN B 1 352 ? 46.815 -39.972 9.184 1.00 23.10 ? 369 GLN B O 1 ATOM 5984 C CB . GLN B 1 352 ? 46.595 -42.100 7.074 1.00 22.73 ? 369 GLN B CB 1 ATOM 5985 C CG . GLN B 1 352 ? 45.925 -41.342 5.915 1.00 26.11 ? 369 GLN B CG 1 ATOM 5986 C CD . GLN B 1 352 ? 44.726 -42.054 5.310 1.00 33.31 ? 369 GLN B CD 1 ATOM 5987 O OE1 . GLN B 1 352 ? 44.660 -43.280 5.281 1.00 35.10 ? 369 GLN B OE1 1 ATOM 5988 N NE2 . GLN B 1 352 ? 43.764 -41.276 4.823 1.00 32.33 ? 369 GLN B NE2 1 ATOM 5989 N N . ASP B 1 353 ? 47.871 -38.990 7.454 1.00 21.02 ? 370 ASP B N 1 ATOM 5990 C CA . ASP B 1 353 ? 47.480 -37.633 7.827 1.00 23.65 ? 370 ASP B CA 1 ATOM 5991 C C . ASP B 1 353 ? 45.985 -37.488 7.528 1.00 19.40 ? 370 ASP B C 1 ATOM 5992 O O . ASP B 1 353 ? 45.536 -37.615 6.389 1.00 23.01 ? 370 ASP B O 1 ATOM 5993 C CB . ASP B 1 353 ? 48.318 -36.612 7.046 1.00 23.52 ? 370 ASP B CB 1 ATOM 5994 C CG . ASP B 1 353 ? 48.030 -35.167 7.441 1.00 24.51 ? 370 ASP B CG 1 ATOM 5995 O OD1 . ASP B 1 353 ? 46.846 -34.770 7.433 1.00 20.88 ? 370 ASP B OD1 1 ATOM 5996 O OD2 . ASP B 1 353 ? 49.001 -34.420 7.706 1.00 24.42 ? 370 ASP B OD2 1 ATOM 5997 N N . VAL B 1 354 ? 45.209 -37.211 8.560 1.00 19.84 ? 371 VAL B N 1 ATOM 5998 C CA . VAL B 1 354 ? 43.759 -37.239 8.456 1.00 18.11 ? 371 VAL B CA 1 ATOM 5999 C C . VAL B 1 354 ? 43.218 -36.186 7.498 1.00 18.88 ? 371 VAL B C 1 ATOM 6000 O O . VAL B 1 354 ? 42.268 -36.467 6.747 1.00 21.53 ? 371 VAL B O 1 ATOM 6001 C CB . VAL B 1 354 ? 43.109 -37.146 9.833 1.00 19.78 ? 371 VAL B CB 1 ATOM 6002 C CG1 . VAL B 1 354 ? 41.588 -37.057 9.706 1.00 19.45 ? 371 VAL B CG1 1 ATOM 6003 C CG2 . VAL B 1 354 ? 43.523 -38.381 10.684 1.00 18.76 ? 371 VAL B CG2 1 ATOM 6004 N N . TYR B 1 355 ? 43.845 -35.006 7.471 1.00 18.89 ? 372 TYR B N 1 ATOM 6005 C CA . TYR B 1 355 ? 43.376 -33.944 6.571 1.00 18.74 ? 372 TYR B CA 1 ATOM 6006 C C . TYR B 1 355 ? 43.953 -33.998 5.148 1.00 21.98 ? 372 TYR B C 1 ATOM 6007 O O . TYR B 1 355 ? 43.216 -33.759 4.205 1.00 25.24 ? 372 TYR B O 1 ATOM 6008 C CB . TYR B 1 355 ? 43.613 -32.580 7.198 1.00 18.31 ? 372 TYR B CB 1 ATOM 6009 C CG . TYR B 1 355 ? 42.600 -32.235 8.264 1.00 17.25 ? 372 TYR B CG 1 ATOM 6010 C CD1 . TYR B 1 355 ? 41.249 -32.132 7.949 1.00 17.68 ? 372 TYR B CD1 1 ATOM 6011 C CD2 . TYR B 1 355 ? 42.983 -32.016 9.585 1.00 16.32 ? 372 TYR B CD2 1 ATOM 6012 C CE1 . TYR B 1 355 ? 40.294 -31.820 8.893 1.00 17.59 ? 372 TYR B CE1 1 ATOM 6013 C CE2 . TYR B 1 355 ? 42.051 -31.709 10.556 1.00 16.18 ? 372 TYR B CE2 1 ATOM 6014 C CZ . TYR B 1 355 ? 40.701 -31.609 10.217 1.00 12.83 ? 372 TYR B CZ 1 ATOM 6015 O OH . TYR B 1 355 ? 39.756 -31.275 11.158 1.00 15.30 ? 372 TYR B OH 1 ATOM 6016 N N . SER B 1 356 ? 45.242 -34.308 4.999 1.00 23.95 ? 373 SER B N 1 ATOM 6017 C CA . SER B 1 356 ? 45.872 -34.339 3.657 1.00 24.97 ? 373 SER B CA 1 ATOM 6018 C C . SER B 1 356 ? 45.755 -35.696 2.981 1.00 28.52 ? 373 SER B C 1 ATOM 6019 O O . SER B 1 356 ? 45.833 -35.785 1.753 1.00 32.59 ? 373 SER B O 1 ATOM 6020 C CB . SER B 1 356 ? 47.350 -33.959 3.757 1.00 29.59 ? 373 SER B CB 1 ATOM 6021 O OG . SER B 1 356 ? 48.105 -34.979 4.389 1.00 28.79 ? 373 SER B OG 1 ATOM 6022 N N . GLY B 1 357 ? 45.590 -36.747 3.780 1.00 24.28 ? 374 GLY B N 1 ATOM 6023 C CA . GLY B 1 357 ? 45.500 -38.109 3.278 1.00 31.87 ? 374 GLY B CA 1 ATOM 6024 C C . GLY B 1 357 ? 46.852 -38.746 3.008 1.00 27.94 ? 374 GLY B C 1 ATOM 6025 O O . GLY B 1 357 ? 46.920 -39.922 2.620 1.00 31.39 ? 374 GLY B O 1 ATOM 6026 N N . ASP B 1 358 ? 47.926 -37.989 3.210 1.00 25.90 ? 375 ASP B N 1 ATOM 6027 C CA . ASP B 1 358 ? 49.277 -38.484 2.955 1.00 29.79 ? 375 ASP B CA 1 ATOM 6028 C C . ASP B 1 358 ? 49.656 -39.626 3.901 1.00 30.56 ? 375 ASP B C 1 ATOM 6029 O O . ASP B 1 358 ? 49.299 -39.620 5.085 1.00 26.37 ? 375 ASP B O 1 ATOM 6030 C CB . ASP B 1 358 ? 50.295 -37.355 3.080 1.00 33.03 ? 375 ASP B CB 1 ATOM 6031 C CG . ASP B 1 358 ? 50.150 -36.309 1.988 1.00 40.41 ? 375 ASP B CG 1 ATOM 6032 O OD1 . ASP B 1 358 ? 49.359 -36.513 1.038 1.00 39.25 ? 375 ASP B OD1 1 ATOM 6033 O OD2 . ASP B 1 358 ? 50.835 -35.281 2.094 1.00 44.58 ? 375 ASP B OD2 1 ATOM 6034 N N . ILE B 1 359 ? 50.389 -40.600 3.364 1.00 31.45 ? 376 ILE B N 1 ATOM 6035 C CA . ILE B 1 359 ? 50.851 -41.751 4.136 1.00 29.12 ? 376 ILE B CA 1 ATOM 6036 C C . ILE B 1 359 ? 52.324 -41.571 4.474 1.00 25.45 ? 376 ILE B C 1 ATOM 6037 O O . ILE B 1 359 ? 53.128 -41.272 3.601 1.00 26.81 ? 376 ILE B O 1 ATOM 6038 C CB . ILE B 1 359 ? 50.668 -43.085 3.351 1.00 29.64 ? 376 ILE B CB 1 ATOM 6039 C CG1 . ILE B 1 359 ? 49.189 -43.316 2.989 1.00 41.85 ? 376 ILE B CG1 1 ATOM 6040 C CG2 . ILE B 1 359 ? 51.229 -44.269 4.136 1.00 31.83 ? 376 ILE B CG2 1 ATOM 6041 C CD1 . ILE B 1 359 ? 48.280 -43.517 4.177 1.00 35.90 ? 376 ILE B CD1 1 ATOM 6042 N N . ILE B 1 360 ? 52.658 -41.784 5.748 1.00 28.92 ? 377 ILE B N 1 ATOM 6043 C CA . ILE B 1 360 ? 54.033 -41.778 6.236 1.00 27.92 ? 377 ILE B CA 1 ATOM 6044 C C . ILE B 1 360 ? 54.397 -43.196 6.672 1.00 28.98 ? 377 ILE B C 1 ATOM 6045 O O . ILE B 1 360 ? 53.795 -43.736 7.599 1.00 30.90 ? 377 ILE B O 1 ATOM 6046 C CB . ILE B 1 360 ? 54.192 -40.802 7.434 1.00 29.79 ? 377 ILE B CB 1 ATOM 6047 C CG1 . ILE B 1 360 ? 53.700 -39.400 7.053 1.00 34.83 ? 377 ILE B CG1 1 ATOM 6048 C CG2 . ILE B 1 360 ? 55.663 -40.754 7.894 1.00 34.43 ? 377 ILE B CG2 1 ATOM 6049 C CD1 . ILE B 1 360 ? 52.243 -39.116 7.396 1.00 40.49 ? 377 ILE B CD1 1 ATOM 6050 N N . SER B 1 361 ? 55.353 -43.814 5.992 1.00 28.67 ? 378 SER B N 1 ATOM 6051 C CA . SER B 1 361 ? 55.678 -45.211 6.244 1.00 30.11 ? 378 SER B CA 1 ATOM 6052 C C . SER B 1 361 ? 57.010 -45.341 6.978 1.00 39.85 ? 378 SER B C 1 ATOM 6053 O O . SER B 1 361 ? 57.833 -44.433 6.946 1.00 46.20 ? 378 SER B O 1 ATOM 6054 C CB . SER B 1 361 ? 55.710 -45.997 4.931 1.00 40.65 ? 378 SER B CB 1 ATOM 6055 O OG . SER B 1 361 ? 55.921 -47.382 5.171 1.00 45.97 ? 378 SER B OG 1 ATOM 6056 N N . GLY B 1 362 ? 57.181 -46.457 7.677 1.00 36.87 ? 379 GLY B N 1 ATOM 6057 C CA . GLY B 1 362 ? 58.461 -46.805 8.295 1.00 46.82 ? 379 GLY B CA 1 ATOM 6058 C C . GLY B 1 362 ? 58.789 -46.066 9.583 1.00 42.19 ? 379 GLY B C 1 ATOM 6059 O O . GLY B 1 362 ? 59.956 -45.791 9.861 1.00 45.51 ? 379 GLY B O 1 ATOM 6060 N N . LEU B 1 363 ? 57.763 -45.759 10.371 1.00 35.61 ? 380 LEU B N 1 ATOM 6061 C CA . LEU B 1 363 ? 57.939 -45.099 11.667 1.00 34.44 ? 380 LEU B CA 1 ATOM 6062 C C . LEU B 1 363 ? 58.231 -46.125 12.762 1.00 37.89 ? 380 LEU B C 1 ATOM 6063 O O . LEU B 1 363 ? 57.368 -46.903 13.132 1.00 37.97 ? 380 LEU B O 1 ATOM 6064 C CB . LEU B 1 363 ? 56.689 -44.299 12.036 1.00 35.80 ? 380 LEU B CB 1 ATOM 6065 C CG . LEU B 1 363 ? 56.391 -43.091 11.151 1.00 35.79 ? 380 LEU B CG 1 ATOM 6066 C CD1 . LEU B 1 363 ? 55.013 -42.547 11.470 1.00 35.83 ? 380 LEU B CD1 1 ATOM 6067 C CD2 . LEU B 1 363 ? 57.455 -42.000 11.317 1.00 44.39 ? 380 LEU B CD2 1 ATOM 6068 N N . ARG B 1 364 ? 59.468 -46.126 13.245 1.00 39.07 ? 381 ARG B N 1 ATOM 6069 C CA . ARG B 1 364 ? 59.852 -46.863 14.442 1.00 38.20 ? 381 ARG B CA 1 ATOM 6070 C C . ARG B 1 364 ? 59.877 -45.865 15.598 1.00 39.69 ? 381 ARG B C 1 ATOM 6071 O O . ARG B 1 364 ? 59.833 -44.653 15.381 1.00 39.45 ? 381 ARG B O 1 ATOM 6072 C CB . ARG B 1 364 ? 61.216 -47.529 14.250 1.00 47.74 ? 381 ARG B CB 1 ATOM 6073 C CG . ARG B 1 364 ? 61.374 -48.248 12.900 1.00 60.08 ? 381 ARG B CG 1 ATOM 6074 C CD . ARG B 1 364 ? 62.826 -48.559 12.565 1.00 66.65 ? 381 ARG B CD 1 ATOM 6075 N NE . ARG B 1 364 ? 63.244 -49.862 13.077 1.00 82.43 ? 381 ARG B NE 1 ATOM 6076 C CZ . ARG B 1 364 ? 63.133 -51.018 12.421 1.00 92.72 ? 381 ARG B CZ 1 ATOM 6077 N NH1 . ARG B 1 364 ? 62.605 -51.075 11.200 1.00 95.53 ? 381 ARG B NH1 1 ATOM 6078 N NH2 . ARG B 1 364 ? 63.554 -52.138 12.997 1.00 96.74 ? 381 ARG B NH2 1 ATOM 6079 N N . ASP B 1 365 ? 59.955 -46.364 16.827 1.00 39.39 ? 382 ASP B N 1 ATOM 6080 C CA . ASP B 1 365 ? 59.988 -45.487 18.003 1.00 41.15 ? 382 ASP B CA 1 ATOM 6081 C C . ASP B 1 365 ? 61.119 -44.458 17.941 1.00 37.28 ? 382 ASP B C 1 ATOM 6082 O O . ASP B 1 365 ? 60.954 -43.323 18.391 1.00 38.29 ? 382 ASP B O 1 ATOM 6083 C CB . ASP B 1 365 ? 60.130 -46.307 19.287 1.00 45.35 ? 382 ASP B CB 1 ATOM 6084 C CG . ASP B 1 365 ? 58.835 -46.983 19.709 1.00 55.67 ? 382 ASP B CG 1 ATOM 6085 O OD1 . ASP B 1 365 ? 58.877 -47.702 20.723 1.00 62.44 ? 382 ASP B OD1 1 ATOM 6086 O OD2 . ASP B 1 365 ? 57.786 -46.805 19.051 1.00 50.53 ? 382 ASP B OD2 1 ATOM 6087 N N . GLU B 1 366 ? 62.257 -44.849 17.367 1.00 40.36 ? 383 GLU B N 1 ATOM 6088 C CA . GLU B 1 366 ? 63.445 -43.983 17.343 1.00 45.59 ? 383 GLU B CA 1 ATOM 6089 C C . GLU B 1 366 ? 63.467 -43.011 16.168 1.00 42.01 ? 383 GLU B C 1 ATOM 6090 O O . GLU B 1 366 ? 64.308 -42.107 16.141 1.00 42.97 ? 383 GLU B O 1 ATOM 6091 C CB . GLU B 1 366 ? 64.761 -44.793 17.309 1.00 44.61 ? 383 GLU B CB 1 ATOM 6092 C CG . GLU B 1 366 ? 64.697 -46.183 17.898 1.00 67.72 ? 383 GLU B CG 1 ATOM 6093 C CD . GLU B 1 366 ? 64.184 -47.209 16.903 1.00 74.24 ? 383 GLU B CD 1 ATOM 6094 O OE1 . GLU B 1 366 ? 64.881 -47.492 15.901 1.00 80.92 ? 383 GLU B OE1 1 ATOM 6095 O OE2 . GLU B 1 366 ? 63.074 -47.724 17.132 1.00 53.12 ? 383 GLU B OE2 1 ATOM 6096 N N . THR B 1 367 ? 62.575 -43.173 15.191 1.00 41.79 ? 384 THR B N 1 ATOM 6097 C CA . THR B 1 367 ? 62.739 -42.396 13.959 1.00 40.05 ? 384 THR B CA 1 ATOM 6098 C C . THR B 1 367 ? 62.196 -40.979 14.087 1.00 35.59 ? 384 THR B C 1 ATOM 6099 O O . THR B 1 367 ? 61.032 -40.751 14.439 1.00 34.76 ? 384 THR B O 1 ATOM 6100 C CB . THR B 1 367 ? 62.301 -43.133 12.641 1.00 51.06 ? 384 THR B CB 1 ATOM 6101 O OG1 . THR B 1 367 ? 61.353 -42.352 11.917 1.00 53.50 ? 384 THR B OG1 1 ATOM 6102 C CG2 . THR B 1 367 ? 61.751 -44.488 12.905 1.00 35.72 ? 384 THR B CG2 1 ATOM 6103 N N . ASN B 1 368 ? 63.094 -40.031 13.849 1.00 37.36 ? 385 ASN B N 1 ATOM 6104 C CA . ASN B 1 368 ? 62.771 -38.622 13.924 1.00 38.52 ? 385 ASN B CA 1 ATOM 6105 C C . ASN B 1 368 ? 61.809 -38.263 12.804 1.00 40.92 ? 385 ASN B C 1 ATOM 6106 O O . ASN B 1 368 ? 61.993 -38.688 11.664 1.00 39.02 ? 385 ASN B O 1 ATOM 6107 C CB . ASN B 1 368 ? 64.049 -37.776 13.835 1.00 39.53 ? 385 ASN B CB 1 ATOM 6108 C CG . ASN B 1 368 ? 64.892 -37.850 15.103 1.00 49.86 ? 385 ASN B CG 1 ATOM 6109 O OD1 . ASN B 1 368 ? 64.390 -38.186 16.181 1.00 42.80 ? 385 ASN B OD1 1 ATOM 6110 N ND2 . ASN B 1 368 ? 66.183 -37.533 14.976 1.00 71.38 ? 385 ASN B ND2 1 ATOM 6111 N N . PHE B 1 369 ? 60.751 -37.526 13.140 1.00 32.27 ? 386 PHE B N 1 ATOM 6112 C CA . PHE B 1 369 ? 59.860 -36.990 12.127 1.00 29.97 ? 386 PHE B CA 1 ATOM 6113 C C . PHE B 1 369 ? 59.600 -35.510 12.397 1.00 29.93 ? 386 PHE B C 1 ATOM 6114 O O . PHE B 1 369 ? 59.877 -35.006 13.488 1.00 28.24 ? 386 PHE B O 1 ATOM 6115 C CB . PHE B 1 369 ? 58.554 -37.790 12.048 1.00 32.84 ? 386 PHE B CB 1 ATOM 6116 C CG . PHE B 1 369 ? 57.705 -37.724 13.291 1.00 29.61 ? 386 PHE B CG 1 ATOM 6117 C CD1 . PHE B 1 369 ? 56.891 -36.623 13.546 1.00 29.00 ? 386 PHE B CD1 1 ATOM 6118 C CD2 . PHE B 1 369 ? 57.685 -38.782 14.190 1.00 28.83 ? 386 PHE B CD2 1 ATOM 6119 C CE1 . PHE B 1 369 ? 56.095 -36.584 14.682 1.00 29.69 ? 386 PHE B CE1 1 ATOM 6120 C CE2 . PHE B 1 369 ? 56.895 -38.740 15.315 1.00 28.59 ? 386 PHE B CE2 1 ATOM 6121 C CZ . PHE B 1 369 ? 56.097 -37.645 15.565 1.00 27.49 ? 386 PHE B CZ 1 ATOM 6122 N N . THR B 1 370 ? 59.107 -34.814 11.376 1.00 29.84 ? 387 THR B N 1 ATOM 6123 C CA . THR B 1 370 ? 58.763 -33.398 11.487 1.00 29.34 ? 387 THR B CA 1 ATOM 6124 C C . THR B 1 370 ? 57.354 -33.214 10.953 1.00 29.78 ? 387 THR B C 1 ATOM 6125 O O . THR B 1 370 ? 56.994 -33.788 9.917 1.00 28.54 ? 387 THR B O 1 ATOM 6126 C CB . THR B 1 370 ? 59.736 -32.517 10.677 1.00 30.89 ? 387 THR B CB 1 ATOM 6127 O OG1 . THR B 1 370 ? 61.062 -32.650 11.205 1.00 32.12 ? 387 THR B OG1 1 ATOM 6128 C CG2 . THR B 1 370 ? 59.330 -31.047 10.742 1.00 34.49 ? 387 THR B CG2 1 ATOM 6129 N N . VAL B 1 371 ? 56.530 -32.469 11.684 1.00 27.46 ? 388 VAL B N 1 ATOM 6130 C CA . VAL B 1 371 ? 55.223 -32.062 11.159 1.00 22.75 ? 388 VAL B CA 1 ATOM 6131 C C . VAL B 1 371 ? 55.154 -30.537 11.196 1.00 23.72 ? 388 VAL B C 1 ATOM 6132 O O . VAL B 1 371 ? 55.692 -29.911 12.095 1.00 23.06 ? 388 VAL B O 1 ATOM 6133 C CB . VAL B 1 371 ? 54.018 -32.701 11.913 1.00 23.18 ? 388 VAL B CB 1 ATOM 6134 C CG1 . VAL B 1 371 ? 54.049 -34.226 11.734 1.00 23.70 ? 388 VAL B CG1 1 ATOM 6135 C CG2 . VAL B 1 371 ? 54.015 -32.350 13.407 1.00 24.28 ? 388 VAL B CG2 1 ATOM 6136 N N . ILE B 1 372 ? 54.525 -29.959 10.179 1.00 21.62 ? 389 ILE B N 1 ATOM 6137 C CA . ILE B 1 372 ? 54.394 -28.515 10.055 1.00 20.18 ? 389 ILE B CA 1 ATOM 6138 C C . ILE B 1 372 ? 52.985 -28.160 10.512 1.00 17.83 ? 389 ILE B C 1 ATOM 6139 O O . ILE B 1 372 ? 52.002 -28.590 9.909 1.00 18.62 ? 389 ILE B O 1 ATOM 6140 C CB . ILE B 1 372 ? 54.609 -28.050 8.616 1.00 25.36 ? 389 ILE B CB 1 ATOM 6141 C CG1 . ILE B 1 372 ? 56.003 -28.482 8.128 1.00 35.38 ? 389 ILE B CG1 1 ATOM 6142 C CG2 . ILE B 1 372 ? 54.442 -26.532 8.530 1.00 28.31 ? 389 ILE B CG2 1 ATOM 6143 C CD1 . ILE B 1 372 ? 56.345 -27.981 6.732 1.00 42.26 ? 389 ILE B CD1 1 ATOM 6144 N N . ILE B 1 373 ? 52.900 -27.399 11.600 1.00 18.28 ? 390 ILE B N 1 ATOM 6145 C CA . ILE B 1 373 ? 51.619 -27.059 12.224 1.00 16.48 ? 390 ILE B CA 1 ATOM 6146 C C . ILE B 1 373 ? 51.416 -25.543 12.152 1.00 15.07 ? 390 ILE B C 1 ATOM 6147 O O . ILE B 1 373 ? 52.300 -24.766 12.541 1.00 16.10 ? 390 ILE B O 1 ATOM 6148 C CB . ILE B 1 373 ? 51.595 -27.444 13.716 1.00 15.96 ? 390 ILE B CB 1 ATOM 6149 C CG1 . ILE B 1 373 ? 52.222 -28.842 13.933 1.00 16.99 ? 390 ILE B CG1 1 ATOM 6150 C CG2 . ILE B 1 373 ? 50.164 -27.376 14.263 1.00 15.68 ? 390 ILE B CG2 1 ATOM 6151 C CD1 . ILE B 1 373 ? 52.499 -29.179 15.391 1.00 20.11 ? 390 ILE B CD1 1 ATOM 6152 N N . ASN B 1 374 ? 50.266 -25.125 11.645 1.00 17.67 ? 391 ASN B N 1 ATOM 6153 C CA . ASN B 1 374 ? 49.972 -23.717 11.543 1.00 15.69 ? 391 ASN B CA 1 ATOM 6154 C C . ASN B 1 374 ? 49.407 -23.178 12.831 1.00 13.95 ? 391 ASN B C 1 ATOM 6155 O O . ASN B 1 374 ? 48.854 -23.939 13.643 1.00 15.96 ? 391 ASN B O 1 ATOM 6156 C CB . ASN B 1 374 ? 49.019 -23.482 10.377 1.00 14.90 ? 391 ASN B CB 1 ATOM 6157 C CG . ASN B 1 374 ? 49.656 -23.800 9.058 1.00 19.83 ? 391 ASN B CG 1 ATOM 6158 O OD1 . ASN B 1 374 ? 50.880 -23.718 8.919 1.00 21.09 ? 391 ASN B OD1 1 ATOM 6159 N ND2 . ASN B 1 374 ? 48.843 -24.174 8.074 1.00 18.76 ? 391 ASN B ND2 1 ATOM 6160 N N . PRO B 1 375 ? 49.525 -21.869 13.046 1.00 14.46 ? 392 PRO B N 1 ATOM 6161 C CA . PRO B 1 375 ? 49.060 -21.282 14.298 1.00 13.59 ? 392 PRO B CA 1 ATOM 6162 C C . PRO B 1 375 ? 47.559 -21.485 14.520 1.00 15.40 ? 392 PRO B C 1 ATOM 6163 O O . PRO B 1 375 ? 46.772 -21.350 13.584 1.00 17.44 ? 392 PRO B O 1 ATOM 6164 C CB . PRO B 1 375 ? 49.396 -19.790 14.154 1.00 20.03 ? 392 PRO B CB 1 ATOM 6165 C CG . PRO B 1 375 ? 50.326 -19.689 13.067 1.00 21.23 ? 392 PRO B CG 1 ATOM 6166 C CD . PRO B 1 375 ? 50.183 -20.875 12.182 1.00 17.18 ? 392 PRO B CD 1 ATOM 6167 N N . SER B 1 376 ? 47.177 -21.816 15.743 1.00 15.83 ? 393 SER B N 1 ATOM 6168 C CA . SER B 1 376 ? 45.812 -22.190 16.125 1.00 13.46 ? 393 SER B CA 1 ATOM 6169 C C . SER B 1 376 ? 45.300 -23.340 15.276 1.00 14.29 ? 393 SER B C 1 ATOM 6170 O O . SER B 1 376 ? 44.101 -23.445 15.013 1.00 18.20 ? 393 SER B O 1 ATOM 6171 C CB . SER B 1 376 ? 44.838 -21.003 16.171 1.00 18.26 ? 393 SER B CB 1 ATOM 6172 O OG . SER B 1 376 ? 44.693 -20.338 14.950 1.00 20.95 ? 393 SER B OG 1 ATOM 6173 N N . GLY B 1 377 ? 46.205 -24.207 14.867 1.00 14.85 ? 394 GLY B N 1 ATOM 6174 C CA . GLY B 1 377 ? 45.893 -25.297 13.936 1.00 14.98 ? 394 GLY B CA 1 ATOM 6175 C C . GLY B 1 377 ? 46.433 -26.625 14.407 1.00 15.85 ? 394 GLY B C 1 ATOM 6176 O O . GLY B 1 377 ? 47.119 -26.703 15.419 1.00 14.15 ? 394 GLY B O 1 ATOM 6177 N N . VAL B 1 378 ? 46.130 -27.674 13.654 1.00 13.79 ? 395 VAL B N 1 ATOM 6178 C CA . VAL B 1 378 ? 46.567 -29.027 13.980 1.00 13.06 ? 395 VAL B CA 1 ATOM 6179 C C . VAL B 1 378 ? 47.166 -29.750 12.778 1.00 14.72 ? 395 VAL B C 1 ATOM 6180 O O . VAL B 1 378 ? 46.943 -29.380 11.621 1.00 16.12 ? 395 VAL B O 1 ATOM 6181 C CB . VAL B 1 378 ? 45.397 -29.885 14.490 1.00 11.99 ? 395 VAL B CB 1 ATOM 6182 C CG1 . VAL B 1 378 ? 44.825 -29.311 15.783 1.00 14.03 ? 395 VAL B CG1 1 ATOM 6183 C CG2 . VAL B 1 378 ? 44.297 -30.031 13.380 1.00 14.69 ? 395 VAL B CG2 1 ATOM 6184 N N . VAL B 1 379 ? 47.897 -30.806 13.100 1.00 15.87 ? 396 VAL B N 1 ATOM 6185 C CA . VAL B 1 379 ? 48.195 -31.911 12.203 1.00 15.01 ? 396 VAL B CA 1 ATOM 6186 C C . VAL B 1 379 ? 47.679 -33.138 12.959 1.00 16.92 ? 396 VAL B C 1 ATOM 6187 O O . VAL B 1 379 ? 47.922 -33.293 14.160 1.00 18.46 ? 396 VAL B O 1 ATOM 6188 C CB . VAL B 1 379 ? 49.702 -32.036 11.896 1.00 15.89 ? 396 VAL B CB 1 ATOM 6189 C CG1 . VAL B 1 379 ? 50.014 -33.357 11.204 1.00 19.02 ? 396 VAL B CG1 1 ATOM 6190 C CG2 . VAL B 1 379 ? 50.174 -30.837 11.086 1.00 16.78 ? 396 VAL B CG2 1 ATOM 6191 N N . MET B 1 380 ? 46.913 -33.968 12.269 1.00 16.52 ? 397 MET B N 1 ATOM 6192 C CA . MET B 1 380 ? 46.358 -35.165 12.893 1.00 15.53 ? 397 MET B CA 1 ATOM 6193 C C . MET B 1 380 ? 46.775 -36.404 12.135 1.00 18.79 ? 397 MET B C 1 ATOM 6194 O O . MET B 1 380 ? 46.682 -36.434 10.908 1.00 19.08 ? 397 MET B O 1 ATOM 6195 C CB . MET B 1 380 ? 44.841 -35.089 12.932 1.00 16.16 ? 397 MET B CB 1 ATOM 6196 C CG . MET B 1 380 ? 44.198 -36.249 13.659 1.00 16.53 ? 397 MET B CG 1 ATOM 6197 S SD . MET B 1 380 ? 42.410 -36.022 13.669 1.00 18.52 ? 397 MET B SD 1 ATOM 6198 C CE . MET B 1 380 ? 41.942 -37.331 14.835 1.00 20.34 ? 397 MET B CE 1 ATOM 6199 N N . TRP B 1 381 ? 47.226 -37.413 12.881 1.00 18.67 ? 398 TRP B N 1 ATOM 6200 C CA . TRP B 1 381 ? 47.621 -38.701 12.308 1.00 19.88 ? 398 TRP B CA 1 ATOM 6201 C C . TRP B 1 381 ? 46.728 -39.820 12.795 1.00 21.05 ? 398 TRP B C 1 ATOM 6202 O O . TRP B 1 381 ? 46.408 -39.896 13.985 1.00 21.32 ? 398 TRP B O 1 ATOM 6203 C CB . TRP B 1 381 ? 49.043 -39.068 12.735 1.00 20.86 ? 398 TRP B CB 1 ATOM 6204 C CG . TRP B 1 381 ? 50.129 -38.372 12.006 1.00 20.37 ? 398 TRP B CG 1 ATOM 6205 C CD1 . TRP B 1 381 ? 50.004 -37.395 11.067 1.00 19.78 ? 398 TRP B CD1 1 ATOM 6206 C CD2 . TRP B 1 381 ? 51.529 -38.579 12.194 1.00 22.76 ? 398 TRP B CD2 1 ATOM 6207 N NE1 . TRP B 1 381 ? 51.246 -37.003 10.628 1.00 23.66 ? 398 TRP B NE1 1 ATOM 6208 C CE2 . TRP B 1 381 ? 52.201 -37.711 11.312 1.00 24.52 ? 398 TRP B CE2 1 ATOM 6209 C CE3 . TRP B 1 381 ? 52.281 -39.432 13.013 1.00 24.96 ? 398 TRP B CE3 1 ATOM 6210 C CZ2 . TRP B 1 381 ? 53.594 -37.676 11.220 1.00 27.74 ? 398 TRP B CZ2 1 ATOM 6211 C CZ3 . TRP B 1 381 ? 53.664 -39.395 12.923 1.00 26.18 ? 398 TRP B CZ3 1 ATOM 6212 C CH2 . TRP B 1 381 ? 54.304 -38.515 12.037 1.00 28.42 ? 398 TRP B CH2 1 ATOM 6213 N N . TYR B 1 382 ? 46.416 -40.739 11.889 1.00 21.62 ? 399 TYR B N 1 ATOM 6214 C CA . TYR B 1 382 ? 45.891 -42.042 12.268 1.00 21.09 ? 399 TYR B CA 1 ATOM 6215 C C . TYR B 1 382 ? 47.082 -42.986 12.148 1.00 25.05 ? 399 TYR B C 1 ATOM 6216 O O . TYR B 1 382 ? 47.621 -43.152 11.067 1.00 23.00 ? 399 TYR B O 1 ATOM 6217 C CB . TYR B 1 382 ? 44.781 -42.445 11.317 1.00 21.62 ? 399 TYR B CB 1 ATOM 6218 C CG . TYR B 1 382 ? 44.256 -43.848 11.508 1.00 21.61 ? 399 TYR B CG 1 ATOM 6219 C CD1 . TYR B 1 382 ? 43.617 -44.224 12.690 1.00 24.49 ? 399 TYR B CD1 1 ATOM 6220 C CD2 . TYR B 1 382 ? 44.373 -44.788 10.497 1.00 25.99 ? 399 TYR B CD2 1 ATOM 6221 C CE1 . TYR B 1 382 ? 43.131 -45.523 12.867 1.00 25.30 ? 399 TYR B CE1 1 ATOM 6222 C CE2 . TYR B 1 382 ? 43.881 -46.087 10.664 1.00 29.84 ? 399 TYR B CE2 1 ATOM 6223 C CZ . TYR B 1 382 ? 43.259 -46.440 11.848 1.00 30.03 ? 399 TYR B CZ 1 ATOM 6224 O OH . TYR B 1 382 ? 42.780 -47.731 12.016 1.00 31.05 ? 399 TYR B OH 1 ATOM 6225 N N . LEU B 1 383 ? 47.495 -43.566 13.272 1.00 23.53 ? 400 LEU B N 1 ATOM 6226 C CA . LEU B 1 383 ? 48.735 -44.302 13.388 1.00 26.04 ? 400 LEU B CA 1 ATOM 6227 C C . LEU B 1 383 ? 48.432 -45.772 13.653 1.00 26.67 ? 400 LEU B C 1 ATOM 6228 O O . LEU B 1 383 ? 47.657 -46.089 14.556 1.00 28.30 ? 400 LEU B O 1 ATOM 6229 C CB . LEU B 1 383 ? 49.530 -43.729 14.565 1.00 30.08 ? 400 LEU B CB 1 ATOM 6230 C CG . LEU B 1 383 ? 50.919 -44.296 14.832 1.00 36.08 ? 400 LEU B CG 1 ATOM 6231 C CD1 . LEU B 1 383 ? 51.907 -43.677 13.858 1.00 27.93 ? 400 LEU B CD1 1 ATOM 6232 C CD2 . LEU B 1 383 ? 51.327 -44.036 16.278 1.00 34.22 ? 400 LEU B CD2 1 ATOM 6233 N N . TYR B 1 384 ? 49.048 -46.670 12.891 1.00 26.75 ? 401 TYR B N 1 ATOM 6234 C CA . TYR B 1 384 ? 48.775 -48.089 13.050 1.00 31.11 ? 401 TYR B CA 1 ATOM 6235 C C . TYR B 1 384 ? 50.020 -48.943 12.817 1.00 33.42 ? 401 TYR B C 1 ATOM 6236 O O . TYR B 1 384 ? 50.874 -48.602 11.996 1.00 31.89 ? 401 TYR B O 1 ATOM 6237 C CB . TYR B 1 384 ? 47.649 -48.525 12.099 1.00 32.06 ? 401 TYR B CB 1 ATOM 6238 C CG . TYR B 1 384 ? 47.807 -47.997 10.692 1.00 31.92 ? 401 TYR B CG 1 ATOM 6239 C CD1 . TYR B 1 384 ? 48.461 -48.743 9.713 1.00 30.87 ? 401 TYR B CD1 1 ATOM 6240 C CD2 . TYR B 1 384 ? 47.325 -46.745 10.343 1.00 32.90 ? 401 TYR B CD2 1 ATOM 6241 C CE1 . TYR B 1 384 ? 48.602 -48.258 8.421 1.00 32.98 ? 401 TYR B CE1 1 ATOM 6242 C CE2 . TYR B 1 384 ? 47.476 -46.245 9.059 1.00 32.24 ? 401 TYR B CE2 1 ATOM 6243 C CZ . TYR B 1 384 ? 48.110 -47.005 8.101 1.00 33.27 ? 401 TYR B CZ 1 ATOM 6244 O OH . TYR B 1 384 ? 48.262 -46.498 6.827 1.00 36.35 ? 401 TYR B OH 1 ATOM 6245 N N . PRO B 1 385 ? 50.134 -50.066 13.542 1.00 35.02 ? 402 PRO B N 1 ATOM 6246 C CA . PRO B 1 385 ? 51.260 -50.937 13.230 1.00 37.02 ? 402 PRO B CA 1 ATOM 6247 C C . PRO B 1 385 ? 51.201 -51.419 11.782 1.00 41.72 ? 402 PRO B C 1 ATOM 6248 O O . PRO B 1 385 ? 50.129 -51.766 11.282 1.00 40.17 ? 402 PRO B O 1 ATOM 6249 C CB . PRO B 1 385 ? 51.094 -52.102 14.216 1.00 39.19 ? 402 PRO B CB 1 ATOM 6250 C CG . PRO B 1 385 ? 50.270 -51.564 15.326 1.00 38.15 ? 402 PRO B CG 1 ATOM 6251 C CD . PRO B 1 385 ? 49.340 -50.573 14.676 1.00 39.31 ? 402 PRO B CD 1 ATOM 6252 N N . ILE B 1 386 ? 52.347 -51.430 11.115 1.00 39.95 ? 403 ILE B N 1 ATOM 6253 C CA . ILE B 1 386 ? 52.428 -51.908 9.738 1.00 53.89 ? 403 ILE B CA 1 ATOM 6254 C C . ILE B 1 386 ? 52.523 -53.443 9.701 1.00 66.18 ? 403 ILE B C 1 ATOM 6255 O O . ILE B 1 386 ? 53.110 -54.020 8.780 1.00 76.57 ? 403 ILE B O 1 ATOM 6256 C CB . ILE B 1 386 ? 53.623 -51.256 9.002 1.00 55.75 ? 403 ILE B CB 1 ATOM 6257 C CG1 . ILE B 1 386 ? 53.361 -51.183 7.493 1.00 61.47 ? 403 ILE B CG1 1 ATOM 6258 C CG2 . ILE B 1 386 ? 54.930 -51.994 9.331 1.00 69.38 ? 403 ILE B CG2 1 ATOM 6259 C CD1 . ILE B 1 386 ? 54.422 -50.405 6.735 1.00 66.66 ? 403 ILE B CD1 1 ATOM 6260 N N . LYS B 1 387 ? 51.963 -54.091 10.722 1.00 63.20 ? 404 LYS B N 1 ATOM 6261 C CA . LYS B 1 387 ? 51.652 -55.520 10.701 1.00 76.05 ? 404 LYS B CA 1 ATOM 6262 C C . LYS B 1 387 ? 50.135 -55.759 10.697 1.00 75.88 ? 404 LYS B C 1 ATOM 6263 O O . LYS B 1 387 ? 49.685 -56.876 10.449 1.00 77.03 ? 404 LYS B O 1 ATOM 6264 C CB . LYS B 1 387 ? 52.295 -56.225 11.902 1.00 81.99 ? 404 LYS B CB 1 ATOM 6265 C CG . LYS B 1 387 ? 53.764 -56.572 11.693 1.00 94.74 ? 404 LYS B CG 1 ATOM 6266 C CD . LYS B 1 387 ? 54.435 -57.034 12.979 1.00 103.76 ? 404 LYS B CD 1 ATOM 6267 C CE . LYS B 1 387 ? 55.896 -57.393 12.742 1.00 107.08 ? 404 LYS B CE 1 ATOM 6268 N NZ . LYS B 1 387 ? 56.612 -57.717 14.005 1.00 108.96 ? 404 LYS B NZ 1 ATOM 6269 N N . ASN B 1 388 ? 49.356 -54.708 10.963 1.00 56.86 ? 405 ASN B N 1 ATOM 6270 C CA . ASN B 1 388 ? 47.891 -54.797 10.990 1.00 65.30 ? 405 ASN B CA 1 ATOM 6271 C C . ASN B 1 388 ? 47.211 -54.661 9.624 1.00 65.67 ? 405 ASN B C 1 ATOM 6272 O O . ASN B 1 388 ? 46.052 -55.055 9.478 1.00 57.92 ? 405 ASN B O 1 ATOM 6273 C CB . ASN B 1 388 ? 47.309 -53.763 11.960 1.00 73.28 ? 405 ASN B CB 1 ATOM 6274 C CG . ASN B 1 388 ? 47.430 -54.197 13.405 1.00 75.81 ? 405 ASN B CG 1 ATOM 6275 O OD1 . ASN B 1 388 ? 48.174 -53.602 14.179 1.00 79.94 ? 405 ASN B OD1 1 ATOM 6276 N ND2 . ASN B 1 388 ? 46.710 -55.254 13.771 1.00 85.28 ? 405 ASN B ND2 1 ATOM 6277 N N . LEU B 1 389 ? 47.909 -54.085 8.641 1.00 65.40 ? 406 LEU B N 1 ATOM 6278 C CA . LEU B 1 389 ? 47.432 -54.108 7.251 1.00 66.55 ? 406 LEU B CA 1 ATOM 6279 C C . LEU B 1 389 ? 47.484 -55.538 6.711 1.00 66.33 ? 406 LEU B C 1 ATOM 6280 O O . LEU B 1 389 ? 46.592 -55.971 5.977 1.00 66.65 ? 406 LEU B O 1 ATOM 6281 C CB . LEU B 1 389 ? 48.273 -53.195 6.347 1.00 61.41 ? 406 LEU B CB 1 ATOM 6282 C CG . LEU B 1 389 ? 48.297 -51.698 6.651 1.00 55.06 ? 406 LEU B CG 1 ATOM 6283 C CD1 . LEU B 1 389 ? 49.451 -51.033 5.911 1.00 51.87 ? 406 LEU B CD1 1 ATOM 6284 C CD2 . LEU B 1 389 ? 46.959 -51.044 6.292 1.00 42.32 ? 406 LEU B CD2 1 ATOM 6285 N N . GLU B 1 390 ? 48.538 -56.260 7.090 1.00 72.92 ? 407 GLU B N 1 ATOM 6286 C CA . GLU B 1 390 ? 48.760 -57.636 6.649 1.00 76.26 ? 407 GLU B CA 1 ATOM 6287 C C . GLU B 1 390 ? 47.816 -58.608 7.359 1.00 77.36 ? 407 GLU B C 1 ATOM 6288 O O . GLU B 1 390 ? 47.232 -59.479 6.718 1.00 81.65 ? 407 GLU B O 1 ATOM 6289 C CB . GLU B 1 390 ? 50.211 -58.059 6.915 1.00 79.36 ? 407 GLU B CB 1 ATOM 6290 C CG . GLU B 1 390 ? 51.280 -57.136 6.320 1.00 80.24 ? 407 GLU B CG 1 ATOM 6291 C CD . GLU B 1 390 ? 52.661 -57.408 6.885 1.00 87.85 ? 407 GLU B CD 1 ATOM 6292 O OE1 . GLU B 1 390 ? 53.008 -58.597 7.060 1.00 98.31 ? 407 GLU B OE1 1 ATOM 6293 O OE2 . GLU B 1 390 ? 53.400 -56.435 7.152 1.00 69.88 ? 407 GLU B OE2 1 ATOM 6294 N N . MET B 1 391 ? 47.679 -58.456 8.679 1.00 81.51 ? 408 MET B N 1 ATOM 6295 C CA . MET B 1 391 ? 46.825 -59.341 9.493 1.00 86.64 ? 408 MET B CA 1 ATOM 6296 C C . MET B 1 391 ? 45.327 -59.153 9.226 1.00 83.56 ? 408 MET B C 1 ATOM 6297 O O . MET B 1 391 ? 44.561 -60.119 9.302 1.00 79.17 ? 408 MET B O 1 ATOM 6298 C CB . MET B 1 391 ? 47.109 -59.169 10.996 1.00 91.42 ? 408 MET B CB 1 ATOM 6299 C CG . MET B 1 391 ? 48.210 -60.083 11.537 1.00 98.18 ? 408 MET B CG 1 ATOM 6300 S SD . MET B 1 391 ? 48.278 -60.137 13.345 1.00 112.20 ? 408 MET B SD 1 ATOM 6301 C CE . MET B 1 391 ? 46.730 -60.957 13.738 1.00 106.09 ? 408 MET B CE 1 ATOM 6302 N N . SER B 1 392 ? 44.914 -57.922 8.914 1.00 80.06 ? 409 SER B N 1 ATOM 6303 C CA . SER B 1 392 ? 43.526 -57.648 8.508 1.00 79.24 ? 409 SER B CA 1 ATOM 6304 C C . SER B 1 392 ? 43.170 -58.281 7.149 1.00 77.51 ? 409 SER B C 1 ATOM 6305 O O . SER B 1 392 ? 41.992 -58.350 6.787 1.00 68.71 ? 409 SER B O 1 ATOM 6306 C CB . SER B 1 392 ? 43.246 -56.136 8.478 1.00 80.85 ? 409 SER B CB 1 ATOM 6307 O OG . SER B 1 392 ? 44.026 -55.471 7.496 1.00 73.51 ? 409 SER B OG 1 ATOM 6308 N N . GLN B 1 393 ? 44.190 -58.740 6.415 1.00 74.45 ? 410 GLN B N 1 ATOM 6309 C CA . GLN B 1 393 ? 44.023 -59.398 5.113 1.00 78.25 ? 410 GLN B CA 1 ATOM 6310 C C . GLN B 1 393 ? 44.338 -60.894 5.133 1.00 84.61 ? 410 GLN B C 1 ATOM 6311 O O . GLN B 1 393 ? 44.530 -61.509 4.077 1.00 83.41 ? 410 GLN B O 1 ATOM 6312 C CB . GLN B 1 393 ? 44.914 -58.700 4.088 1.00 68.51 ? 410 GLN B CB 1 ATOM 6313 C CG . GLN B 1 393 ? 44.397 -57.325 3.747 1.00 64.25 ? 410 GLN B CG 1 ATOM 6314 C CD . GLN B 1 393 ? 43.113 -57.388 2.952 1.00 39.33 ? 410 GLN B CD 1 ATOM 6315 O OE1 . GLN B 1 393 ? 42.094 -56.883 3.388 1.00 30.65 ? 410 GLN B OE1 1 ATOM 6316 N NE2 . GLN B 1 393 ? 43.156 -58.033 1.791 1.00 30.63 ? 410 GLN B NE2 1 ATOM 6317 N N . GLN B 1 394 ? 44.390 -61.469 6.333 1.00 89.88 ? 411 GLN B N 1 ATOM 6318 C CA . GLN B 1 394 ? 44.652 -62.895 6.510 1.00 94.03 ? 411 GLN B CA 1 ATOM 6319 C C . GLN B 1 394 ? 43.666 -63.511 7.512 1.00 97.58 ? 411 GLN B C 1 ATOM 6320 O O . GLN B 1 394 ? 43.996 -64.473 8.207 1.00 97.23 ? 411 GLN B O 1 ATOM 6321 C CB . GLN B 1 394 ? 46.107 -63.108 6.954 1.00 92.60 ? 411 GLN B CB 1 ATOM 6322 C CG . GLN B 1 394 ? 47.141 -62.737 5.884 1.00 89.00 ? 411 GLN B CG 1 ATOM 6323 C CD . GLN B 1 394 ? 48.524 -62.463 6.452 1.00 90.09 ? 411 GLN B CD 1 ATOM 6324 O OE1 . GLN B 1 394 ? 48.874 -62.935 7.537 1.00 85.83 ? 411 GLN B OE1 1 ATOM 6325 N NE2 . GLN B 1 394 ? 49.322 -61.694 5.714 1.00 64.99 ? 411 GLN B NE2 1 ATOM 6326 N N . HIS B 1 395 ? 42.455 -62.952 7.573 1.00 103.48 ? 412 HIS B N 1 ATOM 6327 C CA . HIS B 1 395 ? 41.376 -63.509 8.393 1.00 108.64 ? 412 HIS B CA 1 ATOM 6328 C C . HIS B 1 395 ? 40.657 -64.612 7.611 1.00 110.61 ? 412 HIS B C 1 ATOM 6329 O O . HIS B 1 395 ? 40.177 -64.374 6.501 1.00 109.56 ? 412 HIS B O 1 ATOM 6330 C CB . HIS B 1 395 ? 40.376 -62.421 8.808 1.00 109.49 ? 412 HIS B CB 1 ATOM 6331 C CG . HIS B 1 395 ? 40.912 -61.452 9.819 1.00 114.62 ? 412 HIS B CG 1 ATOM 6332 N ND1 . HIS B 1 395 ? 41.390 -61.848 11.050 1.00 116.81 ? 412 HIS B ND1 1 ATOM 6333 C CD2 . HIS B 1 395 ? 41.027 -60.103 9.788 1.00 117.67 ? 412 HIS B CD2 1 ATOM 6334 C CE1 . HIS B 1 395 ? 41.788 -60.787 11.729 1.00 114.78 ? 412 HIS B CE1 1 ATOM 6335 N NE2 . HIS B 1 395 ? 41.578 -59.715 10.986 1.00 115.25 ? 412 HIS B NE2 1 ATOM 6336 N N . HIS B 1 396 ? 40.592 -65.811 8.194 1.00 113.19 ? 413 HIS B N 1 ATOM 6337 C CA . HIS B 1 396 ? 39.943 -66.969 7.565 1.00 114.17 ? 413 HIS B CA 1 ATOM 6338 C C . HIS B 1 396 ? 38.525 -67.156 8.108 1.00 112.81 ? 413 HIS B C 1 ATOM 6339 O O . HIS B 1 396 ? 38.318 -67.155 9.324 1.00 109.08 ? 413 HIS B O 1 ATOM 6340 C CB . HIS B 1 396 ? 40.767 -68.243 7.801 1.00 115.43 ? 413 HIS B CB 1 ATOM 6341 C CG . HIS B 1 396 ? 42.015 -68.320 6.976 1.00 117.66 ? 413 HIS B CG 1 ATOM 6342 N ND1 . HIS B 1 396 ? 43.062 -67.434 7.120 1.00 117.32 ? 413 HIS B ND1 1 ATOM 6343 C CD2 . HIS B 1 396 ? 42.387 -69.184 6.001 1.00 120.83 ? 413 HIS B CD2 1 ATOM 6344 C CE1 . HIS B 1 396 ? 44.021 -67.745 6.267 1.00 116.66 ? 413 HIS B CE1 1 ATOM 6345 N NE2 . HIS B 1 396 ? 43.637 -68.804 5.576 1.00 119.76 ? 413 HIS B NE2 1 ATOM 6346 N N . HIS B 1 397 ? 37.559 -67.321 7.201 1.00 111.39 ? 414 HIS B N 1 ATOM 6347 C CA . HIS B 1 397 ? 36.142 -67.427 7.570 1.00 110.10 ? 414 HIS B CA 1 ATOM 6348 C C . HIS B 1 397 ? 35.517 -68.760 7.168 1.00 106.52 ? 414 HIS B C 1 ATOM 6349 O O . HIS B 1 397 ? 36.026 -69.458 6.292 1.00 105.29 ? 414 HIS B O 1 ATOM 6350 C CB . HIS B 1 397 ? 35.333 -66.301 6.928 1.00 108.55 ? 414 HIS B CB 1 ATOM 6351 C CG . HIS B 1 397 ? 35.668 -64.942 7.446 1.00 109.17 ? 414 HIS B CG 1 ATOM 6352 N ND1 . HIS B 1 397 ? 35.931 -63.875 6.615 1.00 106.69 ? 414 HIS B ND1 1 ATOM 6353 C CD2 . HIS B 1 397 ? 35.780 -64.473 8.711 1.00 108.17 ? 414 HIS B CD2 1 ATOM 6354 C CE1 . HIS B 1 397 ? 36.194 -62.808 7.348 1.00 112.11 ? 414 HIS B CE1 1 ATOM 6355 N NE2 . HIS B 1 397 ? 36.109 -63.143 8.622 1.00 111.21 ? 414 HIS B NE2 1 ATOM 6356 N N . HIS B 1 398 ? 34.404 -69.089 7.826 1.00 103.70 ? 415 HIS B N 1 ATOM 6357 C CA . HIS B 1 398 ? 33.617 -70.294 7.539 1.00 97.78 ? 415 HIS B CA 1 ATOM 6358 C C . HIS B 1 398 ? 32.122 -69.966 7.683 1.00 88.91 ? 415 HIS B C 1 ATOM 6359 O O . HIS B 1 398 ? 31.751 -69.072 8.453 1.00 73.91 ? 415 HIS B O 1 ATOM 6360 C CB . HIS B 1 398 ? 33.999 -71.434 8.500 1.00 102.66 ? 415 HIS B CB 1 ATOM 6361 C CG . HIS B 1 398 ? 35.473 -71.545 8.764 1.00 112.46 ? 415 HIS B CG 1 ATOM 6362 N ND1 . HIS B 1 398 ? 36.307 -72.351 8.018 1.00 115.40 ? 415 HIS B ND1 1 ATOM 6363 C CD2 . HIS B 1 398 ? 36.260 -70.948 9.691 1.00 115.18 ? 415 HIS B CD2 1 ATOM 6364 C CE1 . HIS B 1 398 ? 37.543 -72.245 8.473 1.00 113.12 ? 415 HIS B CE1 1 ATOM 6365 N NE2 . HIS B 1 398 ? 37.542 -71.400 9.489 1.00 116.33 ? 415 HIS B NE2 1 ATOM 6366 N N . HIS B 1 399 ? 31.269 -70.667 6.933 1.00 80.96 ? 416 HIS B N 1 ATOM 6367 C CA . HIS B 1 399 ? 29.815 -70.525 7.096 1.00 76.51 ? 416 HIS B CA 1 ATOM 6368 C C . HIS B 1 399 ? 29.340 -71.372 8.284 1.00 82.72 ? 416 HIS B C 1 ATOM 6369 O O . HIS B 1 399 ? 30.055 -72.267 8.747 1.00 78.37 ? 416 HIS B O 1 ATOM 6370 C CB . HIS B 1 399 ? 29.058 -70.913 5.813 1.00 66.84 ? 416 HIS B CB 1 ATOM 6371 C CG . HIS B 1 399 ? 28.976 -72.389 5.578 1.00 55.29 ? 416 HIS B CG 1 ATOM 6372 N ND1 . HIS B 1 399 ? 29.641 -73.014 4.545 1.00 41.56 ? 416 HIS B ND1 1 ATOM 6373 C CD2 . HIS B 1 399 ? 28.308 -73.365 6.241 1.00 58.34 ? 416 HIS B CD2 1 ATOM 6374 C CE1 . HIS B 1 399 ? 29.399 -74.313 4.590 1.00 67.20 ? 416 HIS B CE1 1 ATOM 6375 N NE2 . HIS B 1 399 ? 28.588 -74.551 5.606 1.00 69.16 ? 416 HIS B NE2 1 ATOM 6376 N N . HIS B 1 400 ? 28.131 -71.091 8.765 1.00 88.03 ? 417 HIS B N 1 ATOM 6377 C CA . HIS B 1 400 ? 27.554 -71.830 9.892 1.00 93.01 ? 417 HIS B CA 1 ATOM 6378 C C . HIS B 1 400 ? 26.040 -71.637 9.972 1.00 93.70 ? 417 HIS B C 1 ATOM 6379 O O . HIS B 1 400 ? 25.324 -72.472 10.526 1.00 89.28 ? 417 HIS B O 1 ATOM 6380 C CB . HIS B 1 400 ? 28.217 -71.410 11.214 1.00 96.87 ? 417 HIS B CB 1 ATOM 6381 C CG . HIS B 1 400 ? 28.287 -69.927 11.418 1.00 98.16 ? 417 HIS B CG 1 ATOM 6382 N ND1 . HIS B 1 400 ? 29.480 -69.241 11.512 1.00 102.31 ? 417 HIS B ND1 1 ATOM 6383 C CD2 . HIS B 1 400 ? 27.310 -68.999 11.545 1.00 97.80 ? 417 HIS B CD2 1 ATOM 6384 C CE1 . HIS B 1 400 ? 29.233 -67.955 11.686 1.00 99.75 ? 417 HIS B CE1 1 ATOM 6385 N NE2 . HIS B 1 400 ? 27.924 -67.781 11.708 1.00 95.46 ? 417 HIS B NE2 1 HETATM 6386 C C1 . NAG C 2 . ? 74.450 -1.837 27.365 1.00 54.44 ? 501 NAG A C1 1 HETATM 6387 C C2 . NAG C 2 . ? 73.936 -2.139 28.779 1.00 56.35 ? 501 NAG A C2 1 HETATM 6388 C C3 . NAG C 2 . ? 74.925 -1.750 29.898 1.00 63.46 ? 501 NAG A C3 1 HETATM 6389 C C4 . NAG C 2 . ? 76.392 -1.915 29.479 1.00 75.54 ? 501 NAG A C4 1 HETATM 6390 C C5 . NAG C 2 . ? 76.610 -1.199 28.150 1.00 70.47 ? 501 NAG A C5 1 HETATM 6391 C C6 . NAG C 2 . ? 78.067 -1.190 27.702 1.00 66.91 ? 501 NAG A C6 1 HETATM 6392 C C7 . NAG C 2 . ? 71.422 -2.103 28.852 1.00 50.44 ? 501 NAG A C7 1 HETATM 6393 C C8 . NAG C 2 . ? 70.228 -1.198 28.979 1.00 52.37 ? 501 NAG A C8 1 HETATM 6394 N N2 . NAG C 2 . ? 72.623 -1.488 28.898 1.00 51.48 ? 501 NAG A N2 1 HETATM 6395 O O3 . NAG C 2 . ? 74.699 -2.529 31.059 1.00 54.58 ? 501 NAG A O3 1 HETATM 6396 O O4 . NAG C 2 . ? 77.293 -1.445 30.482 1.00 83.17 ? 501 NAG A O4 1 HETATM 6397 O O5 . NAG C 2 . ? 75.854 -1.895 27.191 1.00 50.21 ? 501 NAG A O5 1 HETATM 6398 O O6 . NAG C 2 . ? 78.502 -2.519 27.520 1.00 67.84 ? 501 NAG A O6 1 HETATM 6399 O O7 . NAG C 2 . ? 71.220 -3.323 28.718 1.00 42.43 ? 501 NAG A O7 1 HETATM 6400 C C1 . NAG D 2 . ? 78.175 -2.492 30.964 1.00 93.32 ? 502 NAG A C1 1 HETATM 6401 C C2 . NAG D 2 . ? 79.215 -1.913 31.941 1.00 94.31 ? 502 NAG A C2 1 HETATM 6402 C C3 . NAG D 2 . ? 79.962 -3.004 32.719 1.00 98.79 ? 502 NAG A C3 1 HETATM 6403 C C4 . NAG D 2 . ? 79.012 -4.073 33.244 1.00 100.09 ? 502 NAG A C4 1 HETATM 6404 C C5 . NAG D 2 . ? 78.221 -4.611 32.058 1.00 101.04 ? 502 NAG A C5 1 HETATM 6405 C C6 . NAG D 2 . ? 77.333 -5.805 32.410 1.00 100.63 ? 502 NAG A C6 1 HETATM 6406 C C7 . NAG D 2 . ? 80.002 0.209 30.961 1.00 85.26 ? 502 NAG A C7 1 HETATM 6407 C C8 . NAG D 2 . ? 81.143 0.915 30.286 1.00 83.09 ? 502 NAG A C8 1 HETATM 6408 N N2 . NAG D 2 . ? 80.205 -1.074 31.274 1.00 88.75 ? 502 NAG A N2 1 HETATM 6409 O O3 . NAG D 2 . ? 80.685 -2.439 33.791 1.00 100.54 ? 502 NAG A O3 1 HETATM 6410 O O4 . NAG D 2 . ? 79.746 -5.094 33.883 1.00 97.11 ? 502 NAG A O4 1 HETATM 6411 O O5 . NAG D 2 . ? 77.434 -3.541 31.574 1.00 100.16 ? 502 NAG A O5 1 HETATM 6412 O O6 . NAG D 2 . ? 76.359 -5.430 33.358 1.00 101.28 ? 502 NAG A O6 1 HETATM 6413 O O7 . NAG D 2 . ? 78.957 0.819 31.188 1.00 65.92 ? 502 NAG A O7 1 HETATM 6414 C C1 . NAG E 2 . ? 64.042 18.729 8.146 1.00 27.66 ? 503 NAG A C1 1 HETATM 6415 C C2 . NAG E 2 . ? 63.206 18.295 6.948 1.00 22.21 ? 503 NAG A C2 1 HETATM 6416 C C3 . NAG E 2 . ? 62.464 19.461 6.298 1.00 28.69 ? 503 NAG A C3 1 HETATM 6417 C C4 . NAG E 2 . ? 61.796 20.317 7.371 1.00 31.66 ? 503 NAG A C4 1 HETATM 6418 C C5 . NAG E 2 . ? 62.769 20.677 8.483 1.00 30.11 ? 503 NAG A C5 1 HETATM 6419 C C6 . NAG E 2 . ? 62.144 21.479 9.626 1.00 31.56 ? 503 NAG A C6 1 HETATM 6420 C C7 . NAG E 2 . ? 64.121 16.288 5.839 1.00 29.42 ? 503 NAG A C7 1 HETATM 6421 C C8 . NAG E 2 . ? 65.043 15.757 4.771 1.00 26.83 ? 503 NAG A C8 1 HETATM 6422 N N2 . NAG E 2 . ? 64.037 17.624 5.964 1.00 24.09 ? 503 NAG A N2 1 HETATM 6423 O O3 . NAG E 2 . ? 61.535 18.972 5.348 1.00 26.41 ? 503 NAG A O3 1 HETATM 6424 O O4 . NAG E 2 . ? 61.403 21.531 6.768 1.00 32.84 ? 503 NAG A O4 1 HETATM 6425 O O5 . NAG E 2 . ? 63.309 19.507 9.055 1.00 27.06 ? 503 NAG A O5 1 HETATM 6426 O O6 . NAG E 2 . ? 61.107 20.759 10.266 1.00 39.28 ? 503 NAG A O6 1 HETATM 6427 O O7 . NAG E 2 . ? 63.495 15.501 6.554 1.00 22.17 ? 503 NAG A O7 1 HETATM 6428 C C1 . NAG F 2 . ? 59.987 21.721 6.789 1.00 24.49 ? 504 NAG A C1 1 HETATM 6429 C C2 . NAG F 2 . ? 59.703 23.216 6.606 1.00 29.45 ? 504 NAG A C2 1 HETATM 6430 C C3 . NAG F 2 . ? 58.206 23.479 6.572 1.00 36.07 ? 504 NAG A C3 1 HETATM 6431 C C4 . NAG F 2 . ? 57.552 22.564 5.547 1.00 28.79 ? 504 NAG A C4 1 HETATM 6432 C C5 . NAG F 2 . ? 57.981 21.106 5.790 1.00 26.07 ? 504 NAG A C5 1 HETATM 6433 C C6 . NAG F 2 . ? 57.405 20.149 4.757 1.00 25.01 ? 504 NAG A C6 1 HETATM 6434 C C7 . NAG F 2 . ? 61.491 24.640 7.454 1.00 40.96 ? 504 NAG A C7 1 HETATM 6435 C C8 . NAG F 2 . ? 62.017 25.411 8.630 1.00 50.95 ? 504 NAG A C8 1 HETATM 6436 N N2 . NAG F 2 . ? 60.335 24.000 7.648 1.00 32.37 ? 504 NAG A N2 1 HETATM 6437 O O3 . NAG F 2 . ? 57.985 24.831 6.230 1.00 39.08 ? 504 NAG A O3 1 HETATM 6438 O O4 . NAG F 2 . ? 56.147 22.657 5.676 1.00 31.30 ? 504 NAG A O4 1 HETATM 6439 O O5 . NAG F 2 . ? 59.386 21.012 5.744 1.00 24.99 ? 504 NAG A O5 1 HETATM 6440 O O6 . NAG F 2 . ? 57.894 20.454 3.472 1.00 32.79 ? 504 NAG A O6 1 HETATM 6441 O O7 . NAG F 2 . ? 62.116 24.620 6.389 1.00 47.60 ? 504 NAG A O7 1 HETATM 6442 C C1 . BMA G 3 . ? 55.494 23.240 4.541 1.00 30.54 ? 505 BMA A C1 1 HETATM 6443 C C2 . BMA G 3 . ? 54.028 22.901 4.681 1.00 36.80 ? 505 BMA A C2 1 HETATM 6444 C C3 . BMA G 3 . ? 53.217 23.458 3.509 1.00 45.18 ? 505 BMA A C3 1 HETATM 6445 C C4 . BMA G 3 . ? 53.500 24.953 3.382 1.00 46.52 ? 505 BMA A C4 1 HETATM 6446 C C5 . BMA G 3 . ? 55.005 25.209 3.317 1.00 49.30 ? 505 BMA A C5 1 HETATM 6447 C C6 . BMA G 3 . ? 55.313 26.696 3.201 1.00 51.21 ? 505 BMA A C6 1 HETATM 6448 O O2 . BMA G 3 . ? 53.548 23.471 5.898 1.00 31.84 ? 505 BMA A O2 1 HETATM 6449 O O3 . BMA G 3 . ? 51.799 23.239 3.663 1.00 58.20 ? 505 BMA A O3 1 HETATM 6450 O O4 . BMA G 3 . ? 52.862 25.450 2.199 1.00 57.61 ? 505 BMA A O4 1 HETATM 6451 O O5 . BMA G 3 . ? 55.663 24.652 4.464 1.00 33.22 ? 505 BMA A O5 1 HETATM 6452 O O6 . BMA G 3 . ? 55.264 27.348 4.478 1.00 74.38 ? 505 BMA A O6 1 HETATM 6453 C C1 . MAN H 4 . ? 51.494 21.836 3.828 1.00 79.32 ? 506 MAN A C1 1 HETATM 6454 C C2 . MAN H 4 . ? 51.197 21.213 2.475 1.00 83.04 ? 506 MAN A C2 1 HETATM 6455 C C3 . MAN H 4 . ? 49.823 21.623 1.962 1.00 83.68 ? 506 MAN A C3 1 HETATM 6456 C C4 . MAN H 4 . ? 48.746 21.505 3.038 1.00 88.19 ? 506 MAN A C4 1 HETATM 6457 C C5 . MAN H 4 . ? 49.185 22.126 4.361 1.00 89.29 ? 506 MAN A C5 1 HETATM 6458 C C6 . MAN H 4 . ? 48.162 21.829 5.457 1.00 88.86 ? 506 MAN A C6 1 HETATM 6459 O O2 . MAN H 4 . ? 51.280 19.810 2.596 1.00 93.09 ? 506 MAN A O2 1 HETATM 6460 O O3 . MAN H 4 . ? 49.498 20.800 0.863 1.00 68.21 ? 506 MAN A O3 1 HETATM 6461 O O4 . MAN H 4 . ? 47.576 22.159 2.600 1.00 96.04 ? 506 MAN A O4 1 HETATM 6462 O O5 . MAN H 4 . ? 50.440 21.602 4.741 1.00 87.90 ? 506 MAN A O5 1 HETATM 6463 O O6 . MAN H 4 . ? 48.796 21.634 6.703 1.00 82.17 ? 506 MAN A O6 1 HETATM 6464 C C1 . MAN I 4 . ? 55.894 28.648 4.379 1.00 100.08 ? 507 MAN A C1 1 HETATM 6465 C C2 . MAN I 4 . ? 57.402 28.518 4.639 1.00 101.49 ? 507 MAN A C2 1 HETATM 6466 C C3 . MAN I 4 . ? 57.724 28.319 6.123 1.00 105.42 ? 507 MAN A C3 1 HETATM 6467 C C4 . MAN I 4 . ? 56.906 29.234 7.035 1.00 108.45 ? 507 MAN A C4 1 HETATM 6468 C C5 . MAN I 4 . ? 55.431 29.278 6.628 1.00 109.49 ? 507 MAN A C5 1 HETATM 6469 C C6 . MAN I 4 . ? 54.660 30.314 7.441 1.00 107.34 ? 507 MAN A C6 1 HETATM 6470 O O2 . MAN I 4 . ? 58.103 29.625 4.108 1.00 100.27 ? 507 MAN A O2 1 HETATM 6471 O O3 . MAN I 4 . ? 59.111 28.481 6.351 1.00 92.05 ? 507 MAN A O3 1 HETATM 6472 O O4 . MAN I 4 . ? 57.012 28.765 8.362 1.00 111.70 ? 507 MAN A O4 1 HETATM 6473 O O5 . MAN I 4 . ? 55.311 29.598 5.254 1.00 105.37 ? 507 MAN A O5 1 HETATM 6474 O O6 . MAN I 4 . ? 53.321 30.360 6.997 1.00 103.89 ? 507 MAN A O6 1 HETATM 6475 C C1 . NAG J 2 . ? 11.047 4.300 14.350 1.00 77.81 ? 508 NAG A C1 1 HETATM 6476 C C2 . NAG J 2 . ? 9.841 5.247 14.261 1.00 89.77 ? 508 NAG A C2 1 HETATM 6477 C C3 . NAG J 2 . ? 9.097 5.435 15.583 1.00 95.97 ? 508 NAG A C3 1 HETATM 6478 C C4 . NAG J 2 . ? 8.847 4.095 16.256 1.00 94.79 ? 508 NAG A C4 1 HETATM 6479 C C5 . NAG J 2 . ? 10.187 3.394 16.435 1.00 95.43 ? 508 NAG A C5 1 HETATM 6480 C C6 . NAG J 2 . ? 10.036 2.047 17.139 1.00 96.83 ? 508 NAG A C6 1 HETATM 6481 C C7 . NAG J 2 . ? 9.966 6.923 12.477 1.00 79.94 ? 508 NAG A C7 1 HETATM 6482 C C8 . NAG J 2 . ? 10.432 8.288 12.062 1.00 72.71 ? 508 NAG A C8 1 HETATM 6483 N N2 . NAG J 2 . ? 10.238 6.546 13.728 1.00 84.74 ? 508 NAG A N2 1 HETATM 6484 O O3 . NAG J 2 . ? 7.860 6.072 15.352 1.00 100.24 ? 508 NAG A O3 1 HETATM 6485 O O4 . NAG J 2 . ? 8.207 4.305 17.496 1.00 95.02 ? 508 NAG A O4 1 HETATM 6486 O O5 . NAG J 2 . ? 10.759 3.170 15.162 1.00 85.27 ? 508 NAG A O5 1 HETATM 6487 O O6 . NAG J 2 . ? 11.211 1.754 17.862 1.00 91.00 ? 508 NAG A O6 1 HETATM 6488 O O7 . NAG J 2 . ? 9.366 6.211 11.673 1.00 80.32 ? 508 NAG A O7 1 HETATM 6489 C C1 . DGJ K 5 . ? 58.954 -5.703 18.912 1.00 15.27 ? 509 DGJ A C1 1 HETATM 6490 C C2 . DGJ K 5 . ? 58.123 -4.908 17.928 1.00 14.53 ? 509 DGJ A C2 1 HETATM 6491 O O2 . DGJ K 5 . ? 57.000 -4.267 18.532 1.00 14.42 ? 509 DGJ A O2 1 HETATM 6492 C C3 . DGJ K 5 . ? 57.686 -5.881 16.831 1.00 11.55 ? 509 DGJ A C3 1 HETATM 6493 O O3 . DGJ K 5 . ? 56.838 -5.214 15.907 1.00 13.92 ? 509 DGJ A O3 1 HETATM 6494 C C4 . DGJ K 5 . ? 58.939 -6.382 16.141 1.00 13.14 ? 509 DGJ A C4 1 HETATM 6495 O O4 . DGJ K 5 . ? 59.610 -5.284 15.519 1.00 13.02 ? 509 DGJ A O4 1 HETATM 6496 C C5 . DGJ K 5 . ? 59.856 -7.085 17.132 1.00 14.66 ? 509 DGJ A C5 1 HETATM 6497 N N5 . DGJ K 5 . ? 60.174 -6.269 18.319 1.00 13.87 ? 509 DGJ A N5 1 HETATM 6498 C C6 . DGJ K 5 . ? 61.163 -7.477 16.464 1.00 16.15 ? 509 DGJ A C6 1 HETATM 6499 O O6 . DGJ K 5 . ? 62.046 -8.133 17.368 1.00 14.74 ? 509 DGJ A O6 1 HETATM 6500 C C1 . CIT L 6 . ? 73.003 -16.918 8.527 1.00 35.26 ? 510 CIT A C1 1 HETATM 6501 O O1 . CIT L 6 . ? 73.935 -16.132 8.775 1.00 36.27 ? 510 CIT A O1 1 HETATM 6502 O O2 . CIT L 6 . ? 71.863 -16.513 8.221 1.00 33.83 ? 510 CIT A O2 1 HETATM 6503 C C2 . CIT L 6 . ? 73.282 -18.410 8.620 1.00 33.08 ? 510 CIT A C2 1 HETATM 6504 C C3 . CIT L 6 . ? 72.112 -19.282 8.167 1.00 37.43 ? 510 CIT A C3 1 HETATM 6505 O O7 . CIT L 6 . ? 71.030 -19.038 9.078 1.00 28.22 ? 510 CIT A O7 1 HETATM 6506 C C4 . CIT L 6 . ? 72.543 -20.753 8.211 1.00 36.24 ? 510 CIT A C4 1 HETATM 6507 C C5 . CIT L 6 . ? 71.375 -21.708 8.094 1.00 42.73 ? 510 CIT A C5 1 HETATM 6508 O O3 . CIT L 6 . ? 71.332 -22.662 8.908 1.00 44.78 ? 510 CIT A O3 1 HETATM 6509 O O4 . CIT L 6 . ? 70.508 -21.525 7.199 1.00 34.22 ? 510 CIT A O4 1 HETATM 6510 C C6 . CIT L 6 . ? 71.678 -18.932 6.757 1.00 41.49 ? 510 CIT A C6 1 HETATM 6511 O O5 . CIT L 6 . ? 70.464 -18.712 6.539 1.00 30.74 ? 510 CIT A O5 1 HETATM 6512 O O6 . CIT L 6 . ? 72.540 -18.871 5.854 1.00 37.51 ? 510 CIT A O6 1 HETATM 6513 C C1 . GOL M 7 . ? 54.685 -20.432 -0.060 1.00 47.47 ? 511 GOL A C1 1 HETATM 6514 O O1 . GOL M 7 . ? 54.777 -19.102 -0.531 1.00 28.50 ? 511 GOL A O1 1 HETATM 6515 C C2 . GOL M 7 . ? 55.787 -20.746 0.962 1.00 48.58 ? 511 GOL A C2 1 HETATM 6516 O O2 . GOL M 7 . ? 55.394 -20.269 2.237 1.00 50.20 ? 511 GOL A O2 1 HETATM 6517 C C3 . GOL M 7 . ? 55.997 -22.266 0.989 1.00 59.08 ? 511 GOL A C3 1 HETATM 6518 O O3 . GOL M 7 . ? 56.720 -22.700 2.122 1.00 45.16 ? 511 GOL A O3 1 HETATM 6519 C C1 . GOL N 7 . ? 50.529 5.295 1.718 1.00 44.33 ? 512 GOL A C1 1 HETATM 6520 O O1 . GOL N 7 . ? 51.829 4.749 1.831 1.00 20.78 ? 512 GOL A O1 1 HETATM 6521 C C2 . GOL N 7 . ? 50.601 6.784 1.427 1.00 47.32 ? 512 GOL A C2 1 HETATM 6522 O O2 . GOL N 7 . ? 51.364 6.963 0.249 1.00 46.61 ? 512 GOL A O2 1 HETATM 6523 C C3 . GOL N 7 . ? 51.205 7.511 2.638 1.00 34.65 ? 512 GOL A C3 1 HETATM 6524 O O3 . GOL N 7 . ? 51.515 8.850 2.289 1.00 64.41 ? 512 GOL A O3 1 HETATM 6525 C C1 . GOL O 7 . ? 72.634 -11.796 16.513 1.00 66.95 ? 513 GOL A C1 1 HETATM 6526 O O1 . GOL O 7 . ? 73.466 -11.931 15.384 1.00 60.00 ? 513 GOL A O1 1 HETATM 6527 C C2 . GOL O 7 . ? 71.985 -13.128 16.871 1.00 62.19 ? 513 GOL A C2 1 HETATM 6528 O O2 . GOL O 7 . ? 72.861 -14.194 16.577 1.00 76.25 ? 513 GOL A O2 1 HETATM 6529 C C3 . GOL O 7 . ? 71.623 -13.140 18.350 1.00 66.90 ? 513 GOL A C3 1 HETATM 6530 O O3 . GOL O 7 . ? 71.013 -14.362 18.694 1.00 63.98 ? 513 GOL A O3 1 HETATM 6531 C C1 . GOL P 7 . ? 60.888 -10.398 20.440 1.00 41.39 ? 514 GOL A C1 1 HETATM 6532 O O1 . GOL P 7 . ? 60.983 -10.241 19.041 1.00 27.16 ? 514 GOL A O1 1 HETATM 6533 C C2 . GOL P 7 . ? 59.976 -9.327 21.024 1.00 36.41 ? 514 GOL A C2 1 HETATM 6534 O O2 . GOL P 7 . ? 60.343 -8.055 20.555 1.00 20.77 ? 514 GOL A O2 1 HETATM 6535 C C3 . GOL P 7 . ? 58.510 -9.581 20.686 1.00 32.84 ? 514 GOL A C3 1 HETATM 6536 O O3 . GOL P 7 . ? 57.703 -8.609 21.336 1.00 28.81 ? 514 GOL A O3 1 HETATM 6537 C C1 . GOL Q 7 . ? 56.587 -3.804 22.388 1.00 25.77 ? 515 GOL A C1 1 HETATM 6538 O O1 . GOL Q 7 . ? 56.911 -5.161 22.124 1.00 26.82 ? 515 GOL A O1 1 HETATM 6539 C C2 . GOL Q 7 . ? 56.151 -3.636 23.834 1.00 40.58 ? 515 GOL A C2 1 HETATM 6540 O O2 . GOL Q 7 . ? 55.060 -4.470 24.130 1.00 49.30 ? 515 GOL A O2 1 HETATM 6541 C C3 . GOL Q 7 . ? 57.275 -3.983 24.786 1.00 43.29 ? 515 GOL A C3 1 HETATM 6542 O O3 . GOL Q 7 . ? 57.080 -3.231 25.969 1.00 45.59 ? 515 GOL A O3 1 HETATM 6543 C C1 . GOL R 7 . ? 26.464 -15.091 23.756 1.00 51.20 ? 516 GOL A C1 1 HETATM 6544 O O1 . GOL R 7 . ? 27.292 -15.474 22.678 1.00 38.56 ? 516 GOL A O1 1 HETATM 6545 C C2 . GOL R 7 . ? 25.354 -14.155 23.287 1.00 50.43 ? 516 GOL A C2 1 HETATM 6546 O O2 . GOL R 7 . ? 24.321 -14.120 24.248 1.00 66.40 ? 516 GOL A O2 1 HETATM 6547 C C3 . GOL R 7 . ? 25.878 -12.741 23.045 1.00 44.37 ? 516 GOL A C3 1 HETATM 6548 O O3 . GOL R 7 . ? 27.210 -12.763 22.579 1.00 25.84 ? 516 GOL A O3 1 HETATM 6549 C C1 . GOL S 7 . ? 37.180 -4.670 22.291 1.00 50.12 ? 517 GOL A C1 1 HETATM 6550 O O1 . GOL S 7 . ? 37.678 -4.247 23.542 1.00 46.55 ? 517 GOL A O1 1 HETATM 6551 C C2 . GOL S 7 . ? 35.927 -3.875 21.924 1.00 55.78 ? 517 GOL A C2 1 HETATM 6552 O O2 . GOL S 7 . ? 34.849 -4.170 22.793 1.00 43.04 ? 517 GOL A O2 1 HETATM 6553 C C3 . GOL S 7 . ? 36.227 -2.376 21.951 1.00 49.30 ? 517 GOL A C3 1 HETATM 6554 O O3 . GOL S 7 . ? 35.940 -1.835 20.678 1.00 40.70 ? 517 GOL A O3 1 HETATM 6555 C C1 . GOL T 7 . ? 69.094 -15.419 -0.721 1.00 59.93 ? 518 GOL A C1 1 HETATM 6556 O O1 . GOL T 7 . ? 68.371 -14.195 -0.752 1.00 24.32 ? 518 GOL A O1 1 HETATM 6557 C C2 . GOL T 7 . ? 68.526 -16.399 0.312 1.00 56.19 ? 518 GOL A C2 1 HETATM 6558 O O2 . GOL T 7 . ? 69.547 -16.794 1.206 1.00 54.28 ? 518 GOL A O2 1 HETATM 6559 C C3 . GOL T 7 . ? 67.886 -17.642 -0.314 1.00 68.84 ? 518 GOL A C3 1 HETATM 6560 O O3 . GOL T 7 . ? 66.846 -18.142 0.518 1.00 46.19 ? 518 GOL A O3 1 HETATM 6561 C C1 . NAG U 2 . ? 10.316 -22.477 41.443 1.00 60.15 ? 501 NAG B C1 1 HETATM 6562 C C2 . NAG U 2 . ? 11.265 -21.807 42.435 1.00 60.92 ? 501 NAG B C2 1 HETATM 6563 C C3 . NAG U 2 . ? 10.792 -21.896 43.883 1.00 68.57 ? 501 NAG B C3 1 HETATM 6564 C C4 . NAG U 2 . ? 9.321 -21.515 43.999 1.00 69.58 ? 501 NAG B C4 1 HETATM 6565 C C5 . NAG U 2 . ? 8.522 -22.387 43.038 1.00 71.27 ? 501 NAG B C5 1 HETATM 6566 C C6 . NAG U 2 . ? 7.015 -22.139 43.113 1.00 71.99 ? 501 NAG B C6 1 HETATM 6567 C C7 . NAG U 2 . ? 13.594 -21.703 41.669 1.00 63.74 ? 501 NAG B C7 1 HETATM 6568 C C8 . NAG U 2 . ? 14.938 -22.374 41.681 1.00 68.72 ? 501 NAG B C8 1 HETATM 6569 N N2 . NAG U 2 . ? 12.620 -22.330 42.335 1.00 63.24 ? 501 NAG B N2 1 HETATM 6570 O O3 . NAG U 2 . ? 11.601 -21.057 44.677 1.00 62.40 ? 501 NAG B O3 1 HETATM 6571 O O4 . NAG U 2 . ? 8.857 -21.760 45.311 1.00 95.37 ? 501 NAG B O4 1 HETATM 6572 O O5 . NAG U 2 . ? 8.964 -22.145 41.720 1.00 56.63 ? 501 NAG B O5 1 HETATM 6573 O O6 . NAG U 2 . ? 6.728 -20.765 42.969 1.00 63.99 ? 501 NAG B O6 1 HETATM 6574 O O7 . NAG U 2 . ? 13.440 -20.640 41.061 1.00 59.84 ? 501 NAG B O7 1 HETATM 6575 C C1 . NAG V 2 . ? 8.707 -20.562 46.101 1.00 103.09 ? 502 NAG B C1 1 HETATM 6576 C C2 . NAG V 2 . ? 7.857 -20.925 47.321 1.00 102.69 ? 502 NAG B C2 1 HETATM 6577 C C3 . NAG V 2 . ? 7.920 -19.902 48.458 1.00 108.08 ? 502 NAG B C3 1 HETATM 6578 C C4 . NAG V 2 . ? 9.276 -19.217 48.607 1.00 112.12 ? 502 NAG B C4 1 HETATM 6579 C C5 . NAG V 2 . ? 9.885 -18.865 47.253 1.00 111.76 ? 502 NAG B C5 1 HETATM 6580 C C6 . NAG V 2 . ? 11.274 -18.241 47.400 1.00 110.79 ? 502 NAG B C6 1 HETATM 6581 C C7 . NAG V 2 . ? 5.858 -22.271 46.805 1.00 96.33 ? 502 NAG B C7 1 HETATM 6582 C C8 . NAG V 2 . ? 4.419 -22.236 46.367 1.00 86.31 ? 502 NAG B C8 1 HETATM 6583 N N2 . NAG V 2 . ? 6.468 -21.088 46.912 1.00 97.87 ? 502 NAG B N2 1 HETATM 6584 O O3 . NAG V 2 . ? 7.606 -20.544 49.675 1.00 107.95 ? 502 NAG B O3 1 HETATM 6585 O O4 . NAG V 2 . ? 9.101 -18.044 49.370 1.00 113.83 ? 502 NAG B O4 1 HETATM 6586 O O5 . NAG V 2 . ? 9.964 -20.043 46.479 1.00 109.17 ? 502 NAG B O5 1 HETATM 6587 O O6 . NAG V 2 . ? 12.276 -19.077 46.860 1.00 109.52 ? 502 NAG B O6 1 HETATM 6588 O O7 . NAG V 2 . ? 6.405 -23.350 47.039 1.00 82.16 ? 502 NAG B O7 1 HETATM 6589 C C1 . NAG W 2 . ? 15.581 -49.806 31.009 1.00 23.48 ? 503 NAG B C1 1 HETATM 6590 C C2 . NAG W 2 . ? 15.937 -49.853 29.525 1.00 19.51 ? 503 NAG B C2 1 HETATM 6591 C C3 . NAG W 2 . ? 16.502 -51.204 29.125 1.00 23.13 ? 503 NAG B C3 1 HETATM 6592 C C4 . NAG W 2 . ? 17.560 -51.665 30.115 1.00 24.84 ? 503 NAG B C4 1 HETATM 6593 C C5 . NAG W 2 . ? 17.098 -51.507 31.558 1.00 25.69 ? 503 NAG B C5 1 HETATM 6594 C C6 . NAG W 2 . ? 18.282 -51.683 32.496 1.00 24.88 ? 503 NAG B C6 1 HETATM 6595 C C7 . NAG W 2 . ? 14.654 -48.384 27.985 1.00 30.85 ? 503 NAG B C7 1 HETATM 6596 C C8 . NAG W 2 . ? 13.430 -48.285 27.110 1.00 27.20 ? 503 NAG B C8 1 HETATM 6597 N N2 . NAG W 2 . ? 14.814 -49.544 28.638 1.00 23.83 ? 503 NAG B N2 1 HETATM 6598 O O3 . NAG W 2 . ? 17.043 -51.154 27.817 1.00 25.61 ? 503 NAG B O3 1 HETATM 6599 O O4 . NAG W 2 . ? 17.889 -53.025 29.890 1.00 25.72 ? 503 NAG B O4 1 HETATM 6600 O O5 . NAG W 2 . ? 16.680 -50.182 31.785 1.00 23.17 ? 503 NAG B O5 1 HETATM 6601 O O6 . NAG W 2 . ? 17.899 -51.656 33.849 1.00 38.42 ? 503 NAG B O6 1 HETATM 6602 O O7 . NAG W 2 . ? 15.434 -47.422 28.081 1.00 24.44 ? 503 NAG B O7 1 HETATM 6603 C C1 . NAG X 2 . ? 19.169 -53.216 29.272 1.00 27.65 ? 504 NAG B C1 1 HETATM 6604 C C2 . NAG X 2 . ? 19.703 -54.607 29.639 1.00 36.69 ? 504 NAG B C2 1 HETATM 6605 C C3 . NAG X 2 . ? 20.852 -55.089 28.769 1.00 41.72 ? 504 NAG B C3 1 HETATM 6606 C C4 . NAG X 2 . ? 20.622 -54.764 27.307 1.00 36.67 ? 504 NAG B C4 1 HETATM 6607 C C5 . NAG X 2 . ? 20.208 -53.302 27.175 1.00 35.11 ? 504 NAG B C5 1 HETATM 6608 C C6 . NAG X 2 . ? 20.031 -52.864 25.727 1.00 34.88 ? 504 NAG B C6 1 HETATM 6609 C C7 . NAG X 2 . ? 19.479 -55.339 31.927 1.00 44.74 ? 504 NAG B C7 1 HETATM 6610 C C8 . NAG X 2 . ? 20.007 -55.330 33.336 1.00 48.90 ? 504 NAG B C8 1 HETATM 6611 N N2 . NAG X 2 . ? 20.152 -54.650 31.023 1.00 40.58 ? 504 NAG B N2 1 HETATM 6612 O O3 . NAG X 2 . ? 21.014 -56.479 28.933 1.00 43.40 ? 504 NAG B O3 1 HETATM 6613 O O4 . NAG X 2 . ? 21.885 -54.900 26.720 1.00 46.01 ? 504 NAG B O4 1 HETATM 6614 O O5 . NAG X 2 . ? 19.004 -53.099 27.878 1.00 27.44 ? 504 NAG B O5 1 HETATM 6615 O O6 . NAG X 2 . ? 18.993 -53.581 25.096 1.00 32.81 ? 504 NAG B O6 1 HETATM 6616 O O7 . NAG X 2 . ? 18.459 -55.950 31.622 1.00 40.89 ? 504 NAG B O7 1 HETATM 6617 C C1 . BMA Y 3 . ? 21.907 -55.895 25.699 1.00 49.68 ? 505 BMA B C1 1 HETATM 6618 C C2 . BMA Y 3 . ? 23.207 -55.659 24.957 1.00 54.34 ? 505 BMA B C2 1 HETATM 6619 C C3 . BMA Y 3 . ? 23.342 -56.671 23.824 1.00 65.45 ? 505 BMA B C3 1 HETATM 6620 C C4 . BMA Y 3 . ? 23.196 -58.084 24.389 1.00 71.13 ? 505 BMA B C4 1 HETATM 6621 C C5 . BMA Y 3 . ? 21.885 -58.199 25.169 1.00 72.25 ? 505 BMA B C5 1 HETATM 6622 C C6 . BMA Y 3 . ? 21.673 -59.594 25.753 1.00 83.46 ? 505 BMA B C6 1 HETATM 6623 O O2 . BMA Y 3 . ? 24.274 -55.770 25.909 1.00 45.84 ? 505 BMA B O2 1 HETATM 6624 O O3 . BMA Y 3 . ? 24.596 -56.524 23.134 1.00 74.97 ? 505 BMA B O3 1 HETATM 6625 O O4 . BMA Y 3 . ? 23.221 -59.039 23.323 1.00 67.03 ? 505 BMA B O4 1 HETATM 6626 O O5 . BMA Y 3 . ? 21.872 -57.222 26.217 1.00 52.79 ? 505 BMA B O5 1 HETATM 6627 O O6 . BMA Y 3 . ? 22.587 -59.818 26.839 1.00 98.74 ? 505 BMA B O6 1 HETATM 6628 C C1 . MAN Z 4 . ? 24.580 -55.373 22.253 1.00 90.89 ? 506 MAN B C1 1 HETATM 6629 C C2 . MAN Z 4 . ? 24.027 -55.741 20.876 1.00 91.15 ? 506 MAN B C2 1 HETATM 6630 C C3 . MAN Z 4 . ? 25.028 -56.521 20.020 1.00 91.22 ? 506 MAN B C3 1 HETATM 6631 C C4 . MAN Z 4 . ? 26.434 -55.935 20.103 1.00 93.87 ? 506 MAN B C4 1 HETATM 6632 C C5 . MAN Z 4 . ? 26.826 -55.633 21.546 1.00 96.14 ? 506 MAN B C5 1 HETATM 6633 C C6 . MAN Z 4 . ? 28.171 -54.920 21.621 1.00 97.99 ? 506 MAN B C6 1 HETATM 6634 O O2 . MAN Z 4 . ? 23.623 -54.557 20.224 1.00 92.03 ? 506 MAN B O2 1 HETATM 6635 O O3 . MAN Z 4 . ? 24.605 -56.542 18.671 1.00 78.91 ? 506 MAN B O3 1 HETATM 6636 O O4 . MAN Z 4 . ? 27.342 -56.858 19.544 1.00 98.81 ? 506 MAN B O4 1 HETATM 6637 O O5 . MAN Z 4 . ? 25.857 -54.784 22.124 1.00 94.04 ? 506 MAN B O5 1 HETATM 6638 O O6 . MAN Z 4 . ? 28.462 -54.631 22.970 1.00 93.95 ? 506 MAN B O6 1 HETATM 6639 C C1 . MAN AA 4 . ? 21.954 -60.504 27.943 1.00 120.01 ? 507 MAN B C1 1 HETATM 6640 C C2 . MAN AA 4 . ? 22.281 -59.749 29.234 1.00 124.78 ? 507 MAN B C2 1 HETATM 6641 C C3 . MAN AA 4 . ? 23.682 -60.052 29.766 1.00 127.73 ? 507 MAN B C3 1 HETATM 6642 C C4 . MAN AA 4 . ? 23.958 -61.551 29.746 1.00 130.42 ? 507 MAN B C4 1 HETATM 6643 C C5 . MAN AA 4 . ? 23.674 -62.111 28.355 1.00 131.52 ? 507 MAN B C5 1 HETATM 6644 C C6 . MAN AA 4 . ? 23.935 -63.613 28.296 1.00 131.82 ? 507 MAN B C6 1 HETATM 6645 O O2 . MAN AA 4 . ? 21.305 -60.037 30.216 1.00 127.43 ? 507 MAN B O2 1 HETATM 6646 O O3 . MAN AA 4 . ? 23.818 -59.559 31.081 1.00 121.44 ? 507 MAN B O3 1 HETATM 6647 O O4 . MAN AA 4 . ? 25.301 -61.789 30.103 1.00 129.41 ? 507 MAN B O4 1 HETATM 6648 O O5 . MAN AA 4 . ? 22.323 -61.870 28.016 1.00 126.76 ? 507 MAN B O5 1 HETATM 6649 O O6 . MAN AA 4 . ? 25.240 -63.846 27.816 1.00 135.64 ? 507 MAN B O6 1 HETATM 6650 C C1 . NAG BA 2 . ? 67.126 -37.522 16.073 1.00 81.85 ? 508 NAG B C1 1 HETATM 6651 C C2 . NAG BA 2 . ? 68.323 -38.443 15.818 1.00 94.06 ? 508 NAG B C2 1 HETATM 6652 C C3 . NAG BA 2 . ? 69.421 -38.254 16.868 1.00 99.35 ? 508 NAG B C3 1 HETATM 6653 C C4 . NAG BA 2 . ? 69.732 -36.777 17.086 1.00 102.73 ? 508 NAG B C4 1 HETATM 6654 C C5 . NAG BA 2 . ? 68.438 -36.028 17.386 1.00 105.00 ? 508 NAG B C5 1 HETATM 6655 C C6 . NAG BA 2 . ? 68.705 -34.546 17.656 1.00 106.77 ? 508 NAG B C6 1 HETATM 6656 C C7 . NAG BA 2 . ? 67.878 -40.608 14.735 1.00 84.08 ? 508 NAG B C7 1 HETATM 6657 C C8 . NAG BA 2 . ? 67.387 -42.014 14.929 1.00 70.97 ? 508 NAG B C8 1 HETATM 6658 N N2 . NAG BA 2 . ? 67.883 -39.831 15.821 1.00 87.67 ? 508 NAG B N2 1 HETATM 6659 O O3 . NAG BA 2 . ? 70.590 -38.932 16.467 1.00 104.27 ? 508 NAG B O3 1 HETATM 6660 O O4 . NAG BA 2 . ? 70.655 -36.617 18.144 1.00 103.83 ? 508 NAG B O4 1 HETATM 6661 O O5 . NAG BA 2 . ? 67.567 -36.190 16.282 1.00 93.79 ? 508 NAG B O5 1 HETATM 6662 O O6 . NAG BA 2 . ? 67.521 -33.787 17.523 1.00 105.06 ? 508 NAG B O6 1 HETATM 6663 O O7 . NAG BA 2 . ? 68.247 -40.234 13.622 1.00 75.88 ? 508 NAG B O7 1 HETATM 6664 C C1 . DGJ CA 5 . ? 21.867 -23.607 28.315 1.00 21.67 ? 509 DGJ B C1 1 HETATM 6665 C C2 . DGJ CA 5 . ? 22.465 -24.805 27.562 1.00 21.41 ? 509 DGJ B C2 1 HETATM 6666 O O2 . DGJ CA 5 . ? 23.729 -25.190 28.068 1.00 21.14 ? 509 DGJ B O2 1 HETATM 6667 C C3 . DGJ CA 5 . ? 22.580 -24.424 26.089 1.00 19.03 ? 509 DGJ B C3 1 HETATM 6668 O O3 . DGJ CA 5 . ? 23.194 -25.445 25.308 1.00 17.14 ? 509 DGJ B O3 1 HETATM 6669 C C4 . DGJ CA 5 . ? 21.178 -24.163 25.581 1.00 19.34 ? 509 DGJ B C4 1 HETATM 6670 O O4 . DGJ CA 5 . ? 20.378 -25.359 25.668 1.00 20.67 ? 509 DGJ B O4 1 HETATM 6671 C C5 . DGJ CA 5 . ? 20.491 -23.048 26.367 1.00 21.56 ? 509 DGJ B C5 1 HETATM 6672 N N5 . DGJ CA 5 . ? 20.529 -23.310 27.796 1.00 23.75 ? 509 DGJ B N5 1 HETATM 6673 C C6 . DGJ CA 5 . ? 19.041 -22.890 25.906 1.00 22.51 ? 509 DGJ B C6 1 HETATM 6674 O O6 . DGJ CA 5 . ? 18.382 -21.872 26.657 1.00 22.29 ? 509 DGJ B O6 1 HETATM 6675 C C1 . CIT DA 6 . ? 4.873 -16.764 18.221 1.00 65.88 ? 510 CIT B C1 1 HETATM 6676 O O1 . CIT DA 6 . ? 4.129 -17.762 18.155 1.00 49.63 ? 510 CIT B O1 1 HETATM 6677 O O2 . CIT DA 6 . ? 5.903 -16.731 18.935 1.00 65.11 ? 510 CIT B O2 1 HETATM 6678 C C2 . CIT DA 6 . ? 4.469 -15.551 17.408 1.00 56.09 ? 510 CIT B C2 1 HETATM 6679 C C3 . CIT DA 6 . ? 5.504 -15.145 16.357 1.00 48.69 ? 510 CIT B C3 1 HETATM 6680 O O7 . CIT DA 6 . ? 6.789 -15.053 16.995 1.00 39.43 ? 510 CIT B O7 1 HETATM 6681 C C4 . CIT DA 6 . ? 5.131 -13.765 15.810 1.00 61.81 ? 510 CIT B C4 1 HETATM 6682 C C5 . CIT DA 6 . ? 6.350 -13.081 15.237 1.00 65.16 ? 510 CIT B C5 1 HETATM 6683 O O3 . CIT DA 6 . ? 6.867 -12.142 15.888 1.00 61.32 ? 510 CIT B O3 1 HETATM 6684 O O4 . CIT DA 6 . ? 6.792 -13.495 14.142 1.00 46.69 ? 510 CIT B O4 1 HETATM 6685 C C6 . CIT DA 6 . ? 5.599 -16.132 15.199 1.00 59.83 ? 510 CIT B C6 1 HETATM 6686 O O5 . CIT DA 6 . ? 6.735 -16.516 14.851 1.00 55.70 ? 510 CIT B O5 1 HETATM 6687 O O6 . CIT DA 6 . ? 4.576 -16.531 14.593 1.00 49.13 ? 510 CIT B O6 1 HETATM 6688 C C1 . GOL EA 7 . ? 44.523 -26.962 26.324 1.00 47.40 ? 511 GOL B C1 1 HETATM 6689 O O1 . GOL EA 7 . ? 44.866 -27.791 25.227 1.00 40.84 ? 511 GOL B O1 1 HETATM 6690 C C2 . GOL EA 7 . ? 44.151 -25.568 25.811 1.00 56.81 ? 511 GOL B C2 1 HETATM 6691 O O2 . GOL EA 7 . ? 43.755 -24.708 26.868 1.00 41.64 ? 511 GOL B O2 1 HETATM 6692 C C3 . GOL EA 7 . ? 45.337 -24.985 25.043 1.00 49.98 ? 511 GOL B C3 1 HETATM 6693 O O3 . GOL EA 7 . ? 46.474 -24.900 25.882 1.00 56.89 ? 511 GOL B O3 1 HETATM 6694 C C1 . GOL FA 7 . ? 20.416 -18.561 28.252 1.00 40.70 ? 512 GOL B C1 1 HETATM 6695 O O1 . GOL FA 7 . ? 19.826 -19.233 27.157 1.00 36.93 ? 512 GOL B O1 1 HETATM 6696 C C2 . GOL FA 7 . ? 21.444 -19.477 28.876 1.00 49.07 ? 512 GOL B C2 1 HETATM 6697 O O2 . GOL FA 7 . ? 20.887 -20.752 28.936 1.00 28.95 ? 512 GOL B O2 1 HETATM 6698 C C3 . GOL FA 7 . ? 22.707 -19.565 28.036 1.00 44.59 ? 512 GOL B C3 1 HETATM 6699 O O3 . GOL FA 7 . ? 23.721 -20.079 28.864 1.00 34.65 ? 512 GOL B O3 1 HETATM 6700 C C1 . GOL GA 7 . ? 7.694 -16.963 25.814 1.00 62.88 ? 513 GOL B C1 1 HETATM 6701 O O1 . GOL GA 7 . ? 7.180 -18.171 26.329 1.00 56.54 ? 513 GOL B O1 1 HETATM 6702 C C2 . GOL GA 7 . ? 7.976 -15.968 26.935 1.00 66.92 ? 513 GOL B C2 1 HETATM 6703 O O2 . GOL GA 7 . ? 6.987 -16.052 27.937 1.00 70.16 ? 513 GOL B O2 1 HETATM 6704 C C3 . GOL GA 7 . ? 9.348 -16.224 27.544 1.00 64.25 ? 513 GOL B C3 1 HETATM 6705 O O3 . GOL GA 7 . ? 9.579 -15.314 28.597 1.00 61.72 ? 513 GOL B O3 1 HETATM 6706 C C1 . GOL HA 7 . ? 27.099 -23.144 32.782 1.00 52.70 ? 514 GOL B C1 1 HETATM 6707 O O1 . GOL HA 7 . ? 27.692 -23.033 34.054 1.00 75.32 ? 514 GOL B O1 1 HETATM 6708 C C2 . GOL HA 7 . ? 25.780 -23.884 32.899 1.00 54.17 ? 514 GOL B C2 1 HETATM 6709 O O2 . GOL HA 7 . ? 24.878 -23.088 33.632 1.00 61.05 ? 514 GOL B O2 1 HETATM 6710 C C3 . GOL HA 7 . ? 25.230 -24.202 31.516 1.00 51.53 ? 514 GOL B C3 1 HETATM 6711 O O3 . GOL HA 7 . ? 24.787 -23.025 30.879 1.00 38.37 ? 514 GOL B O3 1 HETATM 6712 C C1 . GOL IA 7 . ? 54.120 -15.228 19.646 1.00 44.18 ? 515 GOL B C1 1 HETATM 6713 O O1 . GOL IA 7 . ? 52.960 -15.260 18.833 1.00 35.95 ? 515 GOL B O1 1 HETATM 6714 C C2 . GOL IA 7 . ? 55.005 -16.442 19.382 1.00 48.11 ? 515 GOL B C2 1 HETATM 6715 O O2 . GOL IA 7 . ? 56.273 -16.247 19.970 1.00 66.14 ? 515 GOL B O2 1 HETATM 6716 C C3 . GOL IA 7 . ? 54.412 -17.756 19.894 1.00 41.57 ? 515 GOL B C3 1 HETATM 6717 O O3 . GOL IA 7 . ? 53.012 -17.719 20.068 1.00 24.78 ? 515 GOL B O3 1 HETATM 6718 C C1 . GOL JA 7 . ? 25.915 -41.380 15.746 1.00 36.48 ? 516 GOL B C1 1 HETATM 6719 O O1 . GOL JA 7 . ? 24.711 -40.681 15.959 1.00 22.63 ? 516 GOL B O1 1 HETATM 6720 C C2 . GOL JA 7 . ? 25.795 -42.842 16.136 1.00 40.55 ? 516 GOL B C2 1 HETATM 6721 O O2 . GOL JA 7 . ? 24.788 -43.444 15.345 1.00 46.94 ? 516 GOL B O2 1 HETATM 6722 C C3 . GOL JA 7 . ? 25.507 -42.970 17.637 1.00 34.35 ? 516 GOL B C3 1 HETATM 6723 O O3 . GOL JA 7 . ? 25.434 -44.347 17.979 1.00 54.63 ? 516 GOL B O3 1 HETATM 6724 O O . HOH KA 8 . ? 32.791 -8.479 9.202 1.00 16.95 ? 601 HOH A O 1 HETATM 6725 O O . HOH KA 8 . ? 43.026 -20.319 9.158 1.00 15.79 ? 602 HOH A O 1 HETATM 6726 O O . HOH KA 8 . ? 85.635 -3.883 7.817 1.00 17.07 ? 603 HOH A O 1 HETATM 6727 O O . HOH KA 8 . ? 74.052 -3.154 -2.463 1.00 19.16 ? 604 HOH A O 1 HETATM 6728 O O . HOH KA 8 . ? 50.819 -0.387 18.961 1.00 13.51 ? 605 HOH A O 1 HETATM 6729 O O . HOH KA 8 . ? 76.103 2.308 10.206 1.00 16.74 ? 606 HOH A O 1 HETATM 6730 O O . HOH KA 8 . ? 41.395 -15.515 19.846 1.00 13.75 ? 607 HOH A O 1 HETATM 6731 O O . HOH KA 8 . ? 54.497 -6.361 16.330 1.00 13.80 ? 608 HOH A O 1 HETATM 6732 O O . HOH KA 8 . ? 49.110 -2.437 19.318 1.00 14.28 ? 609 HOH A O 1 HETATM 6733 O O . HOH KA 8 . ? 42.706 12.962 14.830 1.00 19.48 ? 610 HOH A O 1 HETATM 6734 O O . HOH KA 8 . ? 58.262 -0.627 9.515 1.00 13.61 ? 611 HOH A O 1 HETATM 6735 O O . HOH KA 8 . ? 44.658 -13.898 10.297 1.00 16.74 ? 612 HOH A O 1 HETATM 6736 O O . HOH KA 8 . ? 29.831 -3.423 5.370 1.00 19.91 ? 613 HOH A O 1 HETATM 6737 O O . HOH KA 8 . ? 51.328 -1.165 11.624 1.00 15.20 ? 614 HOH A O 1 HETATM 6738 O O . HOH KA 8 . ? 53.886 -9.026 16.043 1.00 14.09 ? 615 HOH A O 1 HETATM 6739 O O . HOH KA 8 . ? 48.331 -8.757 6.617 1.00 14.65 ? 616 HOH A O 1 HETATM 6740 O O . HOH KA 8 . ? 54.076 -0.699 12.339 1.00 14.15 ? 617 HOH A O 1 HETATM 6741 O O . HOH KA 8 . ? 43.705 9.705 6.645 1.00 20.08 ? 618 HOH A O 1 HETATM 6742 O O . HOH KA 8 . ? 50.310 -2.718 -8.333 1.00 22.65 ? 619 HOH A O 1 HETATM 6743 O O . HOH KA 8 . ? 50.619 -14.887 11.216 1.00 15.35 ? 620 HOH A O 1 HETATM 6744 O O . HOH KA 8 . ? 54.979 -2.741 13.975 1.00 13.86 ? 621 HOH A O 1 HETATM 6745 O O . HOH KA 8 . ? 39.289 -16.474 15.707 1.00 12.98 ? 622 HOH A O 1 HETATM 6746 O O . HOH KA 8 . ? 61.634 -9.805 10.419 1.00 16.84 ? 623 HOH A O 1 HETATM 6747 O O . HOH KA 8 . ? 46.196 7.585 13.810 1.00 16.65 ? 624 HOH A O 1 HETATM 6748 O O . HOH KA 8 . ? 76.954 -7.943 4.426 1.00 17.86 ? 625 HOH A O 1 HETATM 6749 O O . HOH KA 8 . ? 48.773 -1.591 10.167 1.00 15.06 ? 626 HOH A O 1 HETATM 6750 O O . HOH KA 8 . ? 39.588 12.134 8.178 1.00 19.73 ? 627 HOH A O 1 HETATM 6751 O O . HOH KA 8 . ? 26.132 -10.480 15.651 1.00 18.98 ? 628 HOH A O 1 HETATM 6752 O O . HOH KA 8 . ? 74.248 -3.283 2.670 1.00 25.19 ? 629 HOH A O 1 HETATM 6753 O O . HOH KA 8 . ? 50.381 -15.763 5.188 1.00 16.19 ? 630 HOH A O 1 HETATM 6754 O O . HOH KA 8 . ? 80.339 -2.065 5.149 1.00 20.79 ? 631 HOH A O 1 HETATM 6755 O O . HOH KA 8 . ? 78.251 -8.518 -1.900 1.00 18.05 ? 632 HOH A O 1 HETATM 6756 O O . HOH KA 8 . ? 35.269 -8.264 1.324 1.00 19.31 ? 633 HOH A O 1 HETATM 6757 O O . HOH KA 8 . ? 36.116 -5.858 0.168 1.00 21.19 ? 634 HOH A O 1 HETATM 6758 O O . HOH KA 8 . ? 54.436 10.512 2.088 1.00 24.79 ? 635 HOH A O 1 HETATM 6759 O O . HOH KA 8 . ? 39.275 -16.806 -1.855 1.00 25.96 ? 636 HOH A O 1 HETATM 6760 O O . HOH KA 8 . ? 41.738 -16.157 17.147 1.00 12.59 ? 637 HOH A O 1 HETATM 6761 O O . HOH KA 8 . ? 57.174 10.717 25.144 1.00 24.13 ? 638 HOH A O 1 HETATM 6762 O O . HOH KA 8 . ? 62.655 12.062 8.862 1.00 19.69 ? 639 HOH A O 1 HETATM 6763 O O . HOH KA 8 . ? 48.499 -8.604 21.414 1.00 18.20 ? 640 HOH A O 1 HETATM 6764 O O . HOH KA 8 . ? 28.952 -8.650 9.458 1.00 19.14 ? 641 HOH A O 1 HETATM 6765 O O . HOH KA 8 . ? 54.975 3.068 14.341 1.00 17.69 ? 642 HOH A O 1 HETATM 6766 O O . HOH KA 8 . ? 40.514 -16.878 2.429 1.00 24.12 ? 643 HOH A O 1 HETATM 6767 O O . HOH KA 8 . ? 62.769 -8.530 8.443 1.00 15.66 ? 644 HOH A O 1 HETATM 6768 O O . HOH KA 8 . ? 69.877 -1.451 15.440 1.00 15.02 ? 645 HOH A O 1 HETATM 6769 O O . HOH KA 8 . ? 64.278 12.834 6.750 1.00 21.62 ? 646 HOH A O 1 HETATM 6770 O O . HOH KA 8 . ? 48.383 -14.670 2.523 1.00 19.69 ? 647 HOH A O 1 HETATM 6771 O O . HOH KA 8 . ? 77.226 8.002 15.214 1.00 20.14 ? 648 HOH A O 1 HETATM 6772 O O . HOH KA 8 . ? 51.958 -9.363 22.018 1.00 19.13 ? 649 HOH A O 1 HETATM 6773 O O . HOH KA 8 . ? 47.721 -7.364 23.629 1.00 25.75 ? 650 HOH A O 1 HETATM 6774 O O . HOH KA 8 . ? 38.957 7.826 26.659 1.00 29.24 ? 651 HOH A O 1 HETATM 6775 O O . HOH KA 8 . ? 69.992 -7.479 -0.158 1.00 19.34 ? 652 HOH A O 1 HETATM 6776 O O . HOH KA 8 . ? 75.531 9.135 17.209 1.00 20.13 ? 653 HOH A O 1 HETATM 6777 O O . HOH KA 8 . ? 51.992 16.091 25.175 1.00 30.52 ? 654 HOH A O 1 HETATM 6778 O O . HOH KA 8 . ? 63.280 13.761 10.861 1.00 21.13 ? 655 HOH A O 1 HETATM 6779 O O . HOH KA 8 . ? 20.668 17.378 2.563 1.00 39.57 ? 656 HOH A O 1 HETATM 6780 O O . HOH KA 8 . ? 72.887 12.829 10.176 1.00 22.72 ? 657 HOH A O 1 HETATM 6781 O O . HOH KA 8 . ? 36.288 -10.726 0.465 1.00 20.08 ? 658 HOH A O 1 HETATM 6782 O O . HOH KA 8 . ? 54.246 16.901 12.708 1.00 28.71 ? 659 HOH A O 1 HETATM 6783 O O . HOH KA 8 . ? 49.609 -10.811 -4.168 1.00 16.58 ? 660 HOH A O 1 HETATM 6784 O O . HOH KA 8 . ? 44.366 -17.442 16.711 1.00 17.22 ? 661 HOH A O 1 HETATM 6785 O O . HOH KA 8 . ? 52.025 0.460 25.909 1.00 26.25 ? 662 HOH A O 1 HETATM 6786 O O . HOH KA 8 . ? 55.873 -9.915 18.132 1.00 14.25 ? 663 HOH A O 1 HETATM 6787 O O . HOH KA 8 . ? 45.495 4.439 14.612 1.00 16.88 ? 664 HOH A O 1 HETATM 6788 O O . HOH KA 8 . ? 70.720 2.705 -2.961 1.00 19.44 ? 665 HOH A O 1 HETATM 6789 O O . HOH KA 8 . ? 18.610 7.672 9.769 1.00 28.07 ? 666 HOH A O 1 HETATM 6790 O O . HOH KA 8 . ? 59.359 -17.007 8.164 1.00 22.40 ? 667 HOH A O 1 HETATM 6791 O O . HOH KA 8 . ? 36.023 -17.629 7.913 1.00 25.00 ? 668 HOH A O 1 HETATM 6792 O O . HOH KA 8 . ? 59.106 7.744 2.719 1.00 18.23 ? 669 HOH A O 1 HETATM 6793 O O . HOH KA 8 . ? 76.436 -5.448 -3.925 1.00 21.27 ? 670 HOH A O 1 HETATM 6794 O O . HOH KA 8 . ? 65.933 -16.763 14.912 1.00 22.91 ? 671 HOH A O 1 HETATM 6795 O O . HOH KA 8 . ? 67.352 3.971 -5.756 1.00 22.17 ? 672 HOH A O 1 HETATM 6796 O O . HOH KA 8 . ? 65.444 -19.224 12.492 1.00 26.55 ? 673 HOH A O 1 HETATM 6797 O O . HOH KA 8 . ? 42.659 -13.402 7.184 1.00 15.76 ? 674 HOH A O 1 HETATM 6798 O O . HOH KA 8 . ? 51.662 13.446 28.584 1.00 24.45 ? 675 HOH A O 1 HETATM 6799 O O . HOH KA 8 . ? 57.171 1.889 15.778 1.00 20.19 ? 676 HOH A O 1 HETATM 6800 O O . HOH KA 8 . ? 68.322 -5.962 -9.802 1.00 21.22 ? 677 HOH A O 1 HETATM 6801 O O . HOH KA 8 . ? 56.451 0.476 11.318 1.00 16.03 ? 678 HOH A O 1 HETATM 6802 O O . HOH KA 8 . ? 40.088 6.667 18.660 1.00 25.65 ? 679 HOH A O 1 HETATM 6803 O O . HOH KA 8 . ? 52.582 5.016 30.292 1.00 22.71 ? 680 HOH A O 1 HETATM 6804 O O . HOH KA 8 . ? 56.734 -13.180 -6.266 1.00 22.75 ? 681 HOH A O 1 HETATM 6805 O O . HOH KA 8 . ? 53.304 13.969 30.781 1.00 24.28 ? 682 HOH A O 1 HETATM 6806 O O . HOH KA 8 . ? 62.500 8.961 0.497 1.00 21.13 ? 683 HOH A O 1 HETATM 6807 O O . HOH KA 8 . ? 43.433 -4.308 26.296 1.00 25.69 ? 684 HOH A O 1 HETATM 6808 O O . HOH KA 8 . ? 36.753 11.548 15.822 1.00 24.73 ? 685 HOH A O 1 HETATM 6809 O O . HOH KA 8 . ? 39.571 13.960 23.404 1.00 27.36 ? 686 HOH A O 1 HETATM 6810 O O . HOH KA 8 . ? 61.099 -23.031 2.258 1.00 25.67 ? 687 HOH A O 1 HETATM 6811 O O . HOH KA 8 . ? 55.082 18.093 6.770 1.00 29.75 ? 688 HOH A O 1 HETATM 6812 O O . HOH KA 8 . ? 50.679 13.863 26.201 1.00 32.63 ? 689 HOH A O 1 HETATM 6813 O O . HOH KA 8 . ? 62.423 15.908 9.604 1.00 25.35 ? 690 HOH A O 1 HETATM 6814 O O . HOH KA 8 . ? 45.042 -15.670 2.485 1.00 19.26 ? 691 HOH A O 1 HETATM 6815 O O . HOH KA 8 . ? 77.112 -13.641 -0.028 0.50 28.39 ? 692 HOH A O 1 HETATM 6816 O O . HOH KA 8 . ? 78.665 10.091 14.071 1.00 28.16 ? 693 HOH A O 1 HETATM 6817 O O . HOH KA 8 . ? 77.875 -1.965 1.420 1.00 23.03 ? 694 HOH A O 1 HETATM 6818 O O . HOH KA 8 . ? 46.488 14.884 4.408 1.00 22.05 ? 695 HOH A O 1 HETATM 6819 O O . HOH KA 8 . ? 61.007 -16.297 14.763 1.00 21.95 ? 696 HOH A O 1 HETATM 6820 O O . HOH KA 8 . ? 40.136 -16.128 7.184 1.00 25.73 ? 697 HOH A O 1 HETATM 6821 O O . HOH KA 8 . ? 31.704 -16.403 7.640 1.00 29.62 ? 698 HOH A O 1 HETATM 6822 O O . HOH KA 8 . ? 18.436 -9.649 15.857 1.00 33.16 ? 699 HOH A O 1 HETATM 6823 O O . HOH KA 8 . ? 74.479 -8.838 18.229 1.00 27.07 ? 700 HOH A O 1 HETATM 6824 O O . HOH KA 8 . ? 43.718 15.540 12.237 1.00 33.24 ? 701 HOH A O 1 HETATM 6825 O O . HOH KA 8 . ? 88.003 1.775 9.153 1.00 23.31 ? 702 HOH A O 1 HETATM 6826 O O . HOH KA 8 . ? 59.791 9.257 0.527 1.00 23.06 ? 703 HOH A O 1 HETATM 6827 O O . HOH KA 8 . ? 39.482 -14.290 5.489 1.00 26.01 ? 704 HOH A O 1 HETATM 6828 O O . HOH KA 8 . ? 62.625 -11.035 -7.840 1.00 26.06 ? 705 HOH A O 1 HETATM 6829 O O . HOH KA 8 . ? 17.542 13.687 -3.142 1.00 66.48 ? 706 HOH A O 1 HETATM 6830 O O . HOH KA 8 . ? 40.963 4.004 -3.304 1.00 26.27 ? 707 HOH A O 1 HETATM 6831 O O . HOH KA 8 . ? 80.161 -7.032 14.050 1.00 36.64 ? 708 HOH A O 1 HETATM 6832 O O . HOH KA 8 . ? 57.354 -18.815 7.850 1.00 27.05 ? 709 HOH A O 1 HETATM 6833 O O . HOH KA 8 . ? 58.418 18.208 13.380 1.00 25.82 ? 710 HOH A O 1 HETATM 6834 O O . HOH KA 8 . ? 63.408 -16.179 1.904 1.00 21.95 ? 711 HOH A O 1 HETATM 6835 O O . HOH KA 8 . ? 40.415 -2.785 -5.903 1.00 33.62 ? 712 HOH A O 1 HETATM 6836 O O . HOH KA 8 . ? 45.598 14.010 23.943 1.00 26.22 ? 713 HOH A O 1 HETATM 6837 O O . HOH KA 8 . ? 58.892 -12.971 -8.016 1.00 22.01 ? 714 HOH A O 1 HETATM 6838 O O . HOH KA 8 . ? 77.081 0.055 19.754 1.00 38.89 ? 715 HOH A O 1 HETATM 6839 O O . HOH KA 8 . ? 31.204 12.251 -1.104 1.00 36.41 ? 716 HOH A O 1 HETATM 6840 O O . HOH KA 8 . ? 55.328 8.159 1.067 1.00 24.10 ? 717 HOH A O 1 HETATM 6841 O O . HOH KA 8 . ? 32.578 -8.061 0.346 1.00 31.64 ? 718 HOH A O 1 HETATM 6842 O O . HOH KA 8 . ? 26.908 -8.520 7.668 1.00 27.42 ? 719 HOH A O 1 HETATM 6843 O O . HOH KA 8 . ? 71.113 14.013 16.004 1.00 25.64 ? 720 HOH A O 1 HETATM 6844 O O . HOH KA 8 . ? 19.107 -13.055 13.552 1.00 40.41 ? 721 HOH A O 1 HETATM 6845 O O . HOH KA 8 . ? 29.528 -6.036 6.165 1.00 23.09 ? 722 HOH A O 1 HETATM 6846 O O . HOH KA 8 . ? 21.502 3.645 18.208 1.00 49.67 ? 723 HOH A O 1 HETATM 6847 O O . HOH KA 8 . ? 61.659 6.818 -2.832 1.00 31.63 ? 724 HOH A O 1 HETATM 6848 O O . HOH KA 8 . ? 46.354 16.251 15.375 1.00 32.53 ? 725 HOH A O 1 HETATM 6849 O O . HOH KA 8 . ? 63.012 13.571 25.077 1.00 28.38 ? 726 HOH A O 1 HETATM 6850 O O . HOH KA 8 . ? 64.519 -5.068 26.307 1.00 29.10 ? 727 HOH A O 1 HETATM 6851 O O . HOH KA 8 . ? 30.314 -14.339 6.586 1.00 29.82 ? 728 HOH A O 1 HETATM 6852 O O . HOH KA 8 . ? 35.482 -11.418 -1.839 1.00 27.87 ? 729 HOH A O 1 HETATM 6853 O O . HOH KA 8 . ? 17.292 -6.924 17.231 1.00 38.68 ? 730 HOH A O 1 HETATM 6854 O O . HOH KA 8 . ? 73.747 14.652 11.958 1.00 28.85 ? 731 HOH A O 1 HETATM 6855 O O . HOH KA 8 . ? 34.300 17.762 5.979 1.00 35.31 ? 732 HOH A O 1 HETATM 6856 O O . HOH KA 8 . ? 80.498 5.027 17.409 1.00 33.51 ? 733 HOH A O 1 HETATM 6857 O O . HOH KA 8 . ? 60.098 4.829 -4.980 1.00 31.78 ? 734 HOH A O 1 HETATM 6858 O O . HOH KA 8 . ? 32.519 15.434 8.117 1.00 35.38 ? 735 HOH A O 1 HETATM 6859 O O . HOH KA 8 . ? 34.759 12.095 1.578 1.00 28.82 ? 736 HOH A O 1 HETATM 6860 O O . HOH KA 8 . ? 71.644 1.496 25.027 1.00 31.92 ? 737 HOH A O 1 HETATM 6861 O O . HOH KA 8 . ? 63.257 10.540 -1.573 1.00 33.34 ? 738 HOH A O 1 HETATM 6862 O O . HOH KA 8 . ? 37.263 10.639 1.942 1.00 37.83 ? 739 HOH A O 1 HETATM 6863 O O . HOH KA 8 . ? 15.572 1.674 13.840 1.00 35.00 ? 740 HOH A O 1 HETATM 6864 O O . HOH KA 8 . ? 58.029 -7.292 -10.789 1.00 31.91 ? 741 HOH A O 1 HETATM 6865 O O . HOH KA 8 . ? 40.890 9.675 0.266 1.00 25.59 ? 742 HOH A O 1 HETATM 6866 O O . HOH KA 8 . ? 61.731 7.904 28.118 1.00 32.67 ? 743 HOH A O 1 HETATM 6867 O O . HOH KA 8 . ? 31.751 -7.653 6.824 1.00 27.60 ? 744 HOH A O 1 HETATM 6868 O O . HOH KA 8 . ? 54.610 15.238 7.560 1.00 28.23 ? 745 HOH A O 1 HETATM 6869 O O . HOH KA 8 . ? 57.905 -13.793 17.692 1.00 29.45 ? 746 HOH A O 1 HETATM 6870 O O . HOH KA 8 . ? 30.775 -10.057 6.040 1.00 26.58 ? 747 HOH A O 1 HETATM 6871 O O . HOH KA 8 . ? 34.227 10.484 15.880 1.00 24.58 ? 748 HOH A O 1 HETATM 6872 O O . HOH KA 8 . ? 71.797 15.486 13.825 1.00 27.22 ? 749 HOH A O 1 HETATM 6873 O O . HOH KA 8 . ? 28.486 12.813 7.133 1.00 29.45 ? 750 HOH A O 1 HETATM 6874 O O . HOH KA 8 . ? 61.928 -16.284 -0.584 1.00 22.72 ? 751 HOH A O 1 HETATM 6875 O O . HOH KA 8 . ? 73.305 -12.191 11.233 1.00 31.40 ? 752 HOH A O 1 HETATM 6876 O O . HOH KA 8 . ? 60.803 -18.540 -2.878 1.00 42.17 ? 753 HOH A O 1 HETATM 6877 O O . HOH KA 8 . ? 60.671 15.810 27.921 1.00 31.87 ? 754 HOH A O 1 HETATM 6878 O O . HOH KA 8 . ? 68.275 -15.175 15.379 1.00 25.18 ? 755 HOH A O 1 HETATM 6879 O O . HOH KA 8 . ? 67.818 -14.351 17.904 1.00 27.22 ? 756 HOH A O 1 HETATM 6880 O O . HOH KA 8 . ? 36.175 5.097 25.718 1.00 30.68 ? 757 HOH A O 1 HETATM 6881 O O . HOH KA 8 . ? 37.891 -5.128 -3.302 1.00 30.57 ? 758 HOH A O 1 HETATM 6882 O O . HOH KA 8 . ? 41.726 -17.783 -3.577 1.00 30.83 ? 759 HOH A O 1 HETATM 6883 O O . HOH KA 8 . ? 60.512 -15.168 -8.099 1.00 41.91 ? 760 HOH A O 1 HETATM 6884 O O . HOH KA 8 . ? 63.864 -3.870 -11.884 1.00 32.63 ? 761 HOH A O 1 HETATM 6885 O O . HOH KA 8 . ? 18.697 -3.029 17.703 1.00 32.23 ? 762 HOH A O 1 HETATM 6886 O O . HOH KA 8 . ? 34.744 -12.982 19.528 1.00 25.68 ? 763 HOH A O 1 HETATM 6887 O O . HOH KA 8 . ? 16.173 9.537 15.632 1.00 39.86 ? 764 HOH A O 1 HETATM 6888 O O . HOH KA 8 . ? 68.099 18.600 5.952 1.00 35.09 ? 765 HOH A O 1 HETATM 6889 O O . HOH KA 8 . ? 75.952 -2.046 17.949 1.00 20.89 ? 766 HOH A O 1 HETATM 6890 O O . HOH KA 8 . ? 30.421 -4.564 23.034 1.00 42.79 ? 767 HOH A O 1 HETATM 6891 O O . HOH KA 8 . ? 49.340 15.975 17.460 1.00 33.72 ? 768 HOH A O 1 HETATM 6892 O O . HOH KA 8 . ? 38.964 4.338 19.677 1.00 28.82 ? 769 HOH A O 1 HETATM 6893 O O . HOH KA 8 . ? 58.073 -21.421 7.562 1.00 29.02 ? 770 HOH A O 1 HETATM 6894 O O . HOH KA 8 . ? 22.473 -0.375 -4.351 1.00 41.98 ? 771 HOH A O 1 HETATM 6895 O O . HOH KA 8 . ? 59.533 -5.972 22.536 1.00 21.12 ? 772 HOH A O 1 HETATM 6896 O O . HOH KA 8 . ? 38.153 -15.870 3.643 1.00 32.49 ? 773 HOH A O 1 HETATM 6897 O O . HOH KA 8 . ? 17.813 3.785 -1.068 1.00 54.97 ? 774 HOH A O 1 HETATM 6898 O O . HOH KA 8 . ? 52.712 12.932 2.479 1.00 38.68 ? 775 HOH A O 1 HETATM 6899 O O . HOH KA 8 . ? 70.536 5.609 31.108 1.00 33.72 ? 776 HOH A O 1 HETATM 6900 O O . HOH KA 8 . ? 20.969 -2.670 20.141 1.00 37.88 ? 777 HOH A O 1 HETATM 6901 O O . HOH KA 8 . ? 62.940 -15.334 -6.593 1.00 36.20 ? 778 HOH A O 1 HETATM 6902 O O . HOH KA 8 . ? 87.964 -5.287 11.950 1.00 28.36 ? 779 HOH A O 1 HETATM 6903 O O . HOH KA 8 . ? 20.238 -0.612 6.108 1.00 37.88 ? 780 HOH A O 1 HETATM 6904 O O . HOH KA 8 . ? 42.847 -16.411 6.098 1.00 28.50 ? 781 HOH A O 1 HETATM 6905 O O . HOH KA 8 . ? 74.303 13.760 7.946 1.00 28.11 ? 782 HOH A O 1 HETATM 6906 O O . HOH KA 8 . ? 21.741 15.805 10.071 1.00 47.05 ? 783 HOH A O 1 HETATM 6907 O O . HOH KA 8 . ? 23.199 -4.505 6.623 1.00 35.77 ? 784 HOH A O 1 HETATM 6908 O O . HOH KA 8 . ? 45.274 5.282 -2.419 1.00 36.67 ? 785 HOH A O 1 HETATM 6909 O O . HOH KA 8 . ? 31.493 13.994 10.184 1.00 43.08 ? 786 HOH A O 1 HETATM 6910 O O . HOH KA 8 . ? 27.113 4.333 24.301 1.00 39.97 ? 787 HOH A O 1 HETATM 6911 O O . HOH KA 8 . ? 59.629 11.908 -0.493 1.00 34.91 ? 788 HOH A O 1 HETATM 6912 O O . HOH KA 8 . ? 46.204 -18.461 5.463 1.00 26.48 ? 789 HOH A O 1 HETATM 6913 O O . HOH KA 8 . ? 65.607 19.191 4.119 1.00 36.80 ? 790 HOH A O 1 HETATM 6914 O O . HOH KA 8 . ? 61.256 18.098 11.146 1.00 39.58 ? 791 HOH A O 1 HETATM 6915 O O . HOH KA 8 . ? 68.459 14.135 22.110 1.00 30.49 ? 792 HOH A O 1 HETATM 6916 O O . HOH KA 8 . ? 76.068 -15.592 -1.581 1.00 36.53 ? 793 HOH A O 1 HETATM 6917 O O . HOH KA 8 . ? 76.236 -6.800 18.678 1.00 38.29 ? 794 HOH A O 1 HETATM 6918 O O . HOH KA 8 . ? 74.473 12.281 5.505 1.00 31.50 ? 795 HOH A O 1 HETATM 6919 O O . HOH KA 8 . ? 48.709 -18.115 4.520 1.00 30.01 ? 796 HOH A O 1 HETATM 6920 O O . HOH KA 8 . ? 76.434 -5.946 1.121 1.00 27.13 ? 797 HOH A O 1 HETATM 6921 O O . HOH KA 8 . ? 43.118 -16.697 21.538 1.00 29.30 ? 798 HOH A O 1 HETATM 6922 O O . HOH KA 8 . ? 56.900 -12.893 -9.938 1.00 39.52 ? 799 HOH A O 1 HETATM 6923 O O . HOH KA 8 . ? 28.296 10.893 14.814 1.00 36.23 ? 800 HOH A O 1 HETATM 6924 O O . HOH KA 8 . ? 59.947 -2.757 10.095 1.00 19.86 ? 801 HOH A O 1 HETATM 6925 O O . HOH KA 8 . ? 79.084 10.051 11.446 1.00 34.06 ? 802 HOH A O 1 HETATM 6926 O O . HOH KA 8 . ? 56.136 2.909 32.396 1.00 38.08 ? 803 HOH A O 1 HETATM 6927 O O . HOH KA 8 . ? 11.663 5.669 9.681 1.00 38.19 ? 804 HOH A O 1 HETATM 6928 O O . HOH KA 8 . ? 53.935 6.462 -0.627 1.00 31.58 ? 805 HOH A O 1 HETATM 6929 O O . HOH KA 8 . ? 88.059 -1.113 13.869 1.00 38.15 ? 806 HOH A O 1 HETATM 6930 O O . HOH KA 8 . ? 69.145 19.122 10.034 1.00 33.57 ? 807 HOH A O 1 HETATM 6931 O O . HOH KA 8 . ? 47.853 17.286 4.460 1.00 35.13 ? 808 HOH A O 1 HETATM 6932 O O . HOH KA 8 . ? 68.844 17.873 12.278 1.00 36.54 ? 809 HOH A O 1 HETATM 6933 O O . HOH KA 8 . ? 82.895 -2.958 14.354 1.00 30.65 ? 810 HOH A O 1 HETATM 6934 O O . HOH KA 8 . ? 41.793 15.577 14.684 1.00 40.06 ? 811 HOH A O 1 HETATM 6935 O O . HOH KA 8 . ? 24.591 -10.626 6.514 1.00 51.47 ? 812 HOH A O 1 HETATM 6936 O O . HOH KA 8 . ? 54.668 -9.122 23.199 1.00 55.82 ? 813 HOH A O 1 HETATM 6937 O O . HOH KA 8 . ? 59.466 14.416 0.499 1.00 43.76 ? 814 HOH A O 1 HETATM 6938 O O . HOH KA 8 . ? 53.766 19.006 4.471 1.00 41.60 ? 815 HOH A O 1 HETATM 6939 O O . HOH KA 8 . ? 52.179 -19.233 2.184 1.00 27.97 ? 816 HOH A O 1 HETATM 6940 O O . HOH KA 8 . ? 36.553 -1.504 28.102 1.00 61.39 ? 817 HOH A O 1 HETATM 6941 O O . HOH KA 8 . ? 31.202 4.603 23.513 1.00 39.82 ? 818 HOH A O 1 HETATM 6942 O O . HOH KA 8 . ? 60.415 0.650 8.108 1.00 16.14 ? 819 HOH A O 1 HETATM 6943 O O . HOH KA 8 . ? 58.615 18.451 1.432 1.00 50.36 ? 820 HOH A O 1 HETATM 6944 O O . HOH KA 8 . ? 67.752 -8.715 -9.815 1.00 33.20 ? 821 HOH A O 1 HETATM 6945 O O . HOH KA 8 . ? 29.511 11.657 17.044 1.00 37.63 ? 822 HOH A O 1 HETATM 6946 O O . HOH KA 8 . ? 55.339 -19.276 -2.958 1.00 45.35 ? 823 HOH A O 1 HETATM 6947 O O . HOH KA 8 . ? 65.090 -2.654 28.256 1.00 48.01 ? 824 HOH A O 1 HETATM 6948 O O . HOH KA 8 . ? 79.327 6.117 15.028 1.00 29.79 ? 825 HOH A O 1 HETATM 6949 O O . HOH KA 8 . ? 28.950 6.367 -2.657 1.00 38.19 ? 826 HOH A O 1 HETATM 6950 O O . HOH KA 8 . ? 75.548 -10.367 -8.858 1.00 32.67 ? 827 HOH A O 1 HETATM 6951 O O . HOH KA 8 . ? 56.127 -2.635 -12.185 1.00 37.65 ? 828 HOH A O 1 HETATM 6952 O O . HOH KA 8 . ? 76.348 4.939 23.268 1.00 26.82 ? 829 HOH A O 1 HETATM 6953 O O . HOH KA 8 . ? 77.688 6.166 8.231 1.00 34.51 ? 830 HOH A O 1 HETATM 6954 O O . HOH KA 8 . ? 27.078 16.372 -0.426 1.00 46.81 ? 831 HOH A O 1 HETATM 6955 O O . HOH KA 8 . ? 81.433 -1.045 15.716 1.00 33.74 ? 832 HOH A O 1 HETATM 6956 O O . HOH KA 8 . ? 69.254 -10.630 -8.639 1.00 44.16 ? 833 HOH A O 1 HETATM 6957 O O . HOH KA 8 . ? 61.903 -18.737 13.520 1.00 41.17 ? 834 HOH A O 1 HETATM 6958 O O . HOH KA 8 . ? 75.024 -15.194 -3.916 1.00 35.76 ? 835 HOH A O 1 HETATM 6959 O O . HOH KA 8 . ? 17.858 15.066 8.946 1.00 39.74 ? 836 HOH A O 1 HETATM 6960 O O . HOH KA 8 . ? 28.167 13.499 13.711 1.00 48.80 ? 837 HOH A O 1 HETATM 6961 O O . HOH KA 8 . ? 44.160 11.044 0.021 1.00 30.50 ? 838 HOH A O 1 HETATM 6962 O O . HOH KA 8 . ? 74.021 9.940 4.372 1.00 28.45 ? 839 HOH A O 1 HETATM 6963 O O . HOH KA 8 . ? 49.658 10.757 1.204 1.00 32.79 ? 840 HOH A O 1 HETATM 6964 O O . HOH KA 8 . ? 46.706 -14.179 21.325 1.00 34.51 ? 841 HOH A O 1 HETATM 6965 O O . HOH KA 8 . ? 20.987 -15.226 21.167 1.00 35.06 ? 842 HOH A O 1 HETATM 6966 O O . HOH KA 8 . ? 47.459 -3.606 28.793 1.00 40.42 ? 843 HOH A O 1 HETATM 6967 O O . HOH KA 8 . ? 48.008 7.527 33.363 1.00 36.37 ? 844 HOH A O 1 HETATM 6968 O O . HOH KA 8 . ? 41.127 -9.521 24.148 1.00 27.42 ? 845 HOH A O 1 HETATM 6969 O O . HOH KA 8 . ? 48.926 0.937 29.180 1.00 36.40 ? 846 HOH A O 1 HETATM 6970 O O . HOH KA 8 . ? 8.267 3.410 19.966 1.00 58.75 ? 847 HOH A O 1 HETATM 6971 O O . HOH KA 8 . ? 64.872 16.044 17.202 1.00 30.45 ? 848 HOH A O 1 HETATM 6972 O O . HOH KA 8 . ? 63.722 16.837 14.381 1.00 45.21 ? 849 HOH A O 1 HETATM 6973 O O . HOH KA 8 . ? 57.858 8.033 27.174 1.00 43.78 ? 850 HOH A O 1 HETATM 6974 O O . HOH KA 8 . ? 55.913 -15.784 -6.177 1.00 45.51 ? 851 HOH A O 1 HETATM 6975 O O . HOH KA 8 . ? 73.666 -16.447 -0.051 1.00 33.89 ? 852 HOH A O 1 HETATM 6976 O O . HOH KA 8 . ? 15.228 15.956 9.269 1.00 51.90 ? 853 HOH A O 1 HETATM 6977 O O . HOH KA 8 . ? 64.302 -9.968 -10.198 1.00 42.40 ? 854 HOH A O 1 HETATM 6978 O O . HOH KA 8 . ? 48.351 -11.355 22.112 1.00 38.50 ? 855 HOH A O 1 HETATM 6979 O O . HOH KA 8 . ? 73.483 14.068 17.457 1.00 34.42 ? 856 HOH A O 1 HETATM 6980 O O . HOH KA 8 . ? 72.943 3.990 24.155 1.00 28.50 ? 857 HOH A O 1 HETATM 6981 O O . HOH KA 8 . ? 16.823 -0.550 6.905 1.00 41.99 ? 858 HOH A O 1 HETATM 6982 O O . HOH KA 8 . ? 36.646 18.675 2.960 1.00 39.05 ? 859 HOH A O 1 HETATM 6983 O O . HOH KA 8 . ? 41.035 -6.108 26.582 1.00 49.51 ? 860 HOH A O 1 HETATM 6984 O O . HOH KA 8 . ? 56.394 4.771 -4.169 1.00 27.64 ? 861 HOH A O 1 HETATM 6985 O O . HOH KA 8 . ? 22.011 -12.212 17.397 1.00 34.73 ? 862 HOH A O 1 HETATM 6986 O O . HOH KA 8 . ? 80.317 -9.335 11.161 1.00 56.40 ? 863 HOH A O 1 HETATM 6987 O O . HOH KA 8 . ? 31.411 -15.678 2.368 1.00 45.21 ? 864 HOH A O 1 HETATM 6988 O O . HOH KA 8 . ? 43.227 -15.365 8.861 1.00 31.86 ? 865 HOH A O 1 HETATM 6989 O O . HOH KA 8 . ? 15.118 -7.859 15.669 1.00 53.98 ? 866 HOH A O 1 HETATM 6990 O O . HOH KA 8 . ? 57.209 8.011 24.557 1.00 25.83 ? 867 HOH A O 1 HETATM 6991 O O . HOH KA 8 . ? 22.887 19.182 2.760 1.00 46.96 ? 868 HOH A O 1 HETATM 6992 O O . HOH KA 8 . ? 49.803 -4.366 -10.413 1.00 30.47 ? 869 HOH A O 1 HETATM 6993 O O . HOH KA 8 . ? 19.623 -0.403 19.356 1.00 56.98 ? 870 HOH A O 1 HETATM 6994 O O . HOH KA 8 . ? 26.882 -5.549 4.669 1.00 33.84 ? 871 HOH A O 1 HETATM 6995 O O . HOH KA 8 . ? 27.626 -14.707 5.960 1.00 34.09 ? 872 HOH A O 1 HETATM 6996 O O . HOH KA 8 . ? 42.811 6.093 -2.118 1.00 39.74 ? 873 HOH A O 1 HETATM 6997 O O . HOH KA 8 . ? 64.505 7.150 -4.255 1.00 40.31 ? 874 HOH A O 1 HETATM 6998 O O . HOH KA 8 . ? 27.201 14.923 8.877 1.00 39.01 ? 875 HOH A O 1 HETATM 6999 O O . HOH KA 8 . ? 53.170 18.564 18.572 1.00 39.19 ? 876 HOH A O 1 HETATM 7000 O O . HOH KA 8 . ? 83.926 -5.986 11.536 1.00 40.82 ? 877 HOH A O 1 HETATM 7001 O O . HOH KA 8 . ? 47.044 4.058 -8.843 1.00 45.59 ? 878 HOH A O 1 HETATM 7002 O O . HOH KA 8 . ? 32.482 11.793 17.333 1.00 30.57 ? 879 HOH A O 1 HETATM 7003 O O . HOH KA 8 . ? 43.884 7.723 29.694 1.00 44.50 ? 880 HOH A O 1 HETATM 7004 O O . HOH KA 8 . ? 58.018 -11.892 -11.913 1.00 44.73 ? 881 HOH A O 1 HETATM 7005 O O . HOH KA 8 . ? 24.056 -12.560 8.222 1.00 28.85 ? 882 HOH A O 1 HETATM 7006 O O . HOH KA 8 . ? 68.971 -11.592 -5.948 1.00 37.72 ? 883 HOH A O 1 HETATM 7007 O O . HOH KA 8 . ? 61.774 1.156 -13.383 1.00 40.23 ? 884 HOH A O 1 HETATM 7008 O O . HOH KA 8 . ? 41.903 -8.585 26.441 1.00 35.49 ? 885 HOH A O 1 HETATM 7009 O O . HOH KA 8 . ? 44.706 -18.258 3.045 1.00 28.34 ? 886 HOH A O 1 HETATM 7010 O O . HOH KA 8 . ? 33.492 5.124 24.464 1.00 42.07 ? 887 HOH A O 1 HETATM 7011 O O . HOH KA 8 . ? 69.969 10.413 31.607 1.00 65.84 ? 888 HOH A O 1 HETATM 7012 O O . HOH KA 8 . ? 24.662 -6.463 6.204 1.00 31.92 ? 889 HOH A O 1 HETATM 7013 O O . HOH KA 8 . ? 63.250 -28.733 9.456 1.00 70.41 ? 890 HOH A O 1 HETATM 7014 O O . HOH KA 8 . ? 32.463 -11.306 18.872 1.00 46.45 ? 891 HOH A O 1 HETATM 7015 O O . HOH KA 8 . ? 62.331 -4.053 26.858 1.00 44.65 ? 892 HOH A O 1 HETATM 7016 O O . HOH KA 8 . ? 33.475 6.954 -3.486 1.00 54.33 ? 893 HOH A O 1 HETATM 7017 O O . HOH KA 8 . ? 58.227 11.414 27.571 1.00 39.03 ? 894 HOH A O 1 HETATM 7018 O O . HOH KA 8 . ? 30.645 -13.505 3.934 1.00 33.86 ? 895 HOH A O 1 HETATM 7019 O O . HOH KA 8 . ? 35.439 17.524 9.919 1.00 48.06 ? 896 HOH A O 1 HETATM 7020 O O . HOH KA 8 . ? 55.117 12.578 0.617 1.00 54.63 ? 897 HOH A O 1 HETATM 7021 O O . HOH KA 8 . ? 53.574 21.520 7.604 1.00 43.79 ? 898 HOH A O 1 HETATM 7022 O O . HOH KA 8 . ? 68.938 10.591 -1.085 1.00 30.23 ? 899 HOH A O 1 HETATM 7023 O O . HOH KA 8 . ? 46.666 14.737 1.741 1.00 37.54 ? 900 HOH A O 1 HETATM 7024 O O . HOH KA 8 . ? 76.395 -14.616 8.285 1.00 43.64 ? 901 HOH A O 1 HETATM 7025 O O . HOH KA 8 . ? 81.812 -6.437 34.904 1.00 48.92 ? 902 HOH A O 1 HETATM 7026 O O . HOH KA 8 . ? 73.843 13.984 3.472 1.00 53.41 ? 903 HOH A O 1 HETATM 7027 O O . HOH KA 8 . ? 25.647 -6.439 27.847 1.00 52.33 ? 904 HOH A O 1 HETATM 7028 O O . HOH KA 8 . ? 84.934 4.988 7.357 1.00 49.17 ? 905 HOH A O 1 HETATM 7029 O O . HOH KA 8 . ? 31.489 -6.041 24.871 1.00 46.67 ? 906 HOH A O 1 HETATM 7030 O O . HOH KA 8 . ? 60.688 5.053 -7.576 1.00 45.09 ? 907 HOH A O 1 HETATM 7031 O O . HOH KA 8 . ? 61.584 16.499 3.812 1.00 42.12 ? 908 HOH A O 1 HETATM 7032 O O . HOH KA 8 . ? 50.144 -1.369 -12.826 1.00 39.60 ? 909 HOH A O 1 HETATM 7033 O O . HOH KA 8 . ? 65.393 10.763 34.107 1.00 43.97 ? 910 HOH A O 1 HETATM 7034 O O . HOH KA 8 . ? 63.752 -0.129 29.816 1.00 41.63 ? 911 HOH A O 1 HETATM 7035 O O . HOH KA 8 . ? 39.495 15.855 18.670 1.00 33.71 ? 912 HOH A O 1 HETATM 7036 O O . HOH KA 8 . ? 76.556 11.534 17.938 1.00 34.29 ? 913 HOH A O 1 HETATM 7037 O O . HOH KA 8 . ? 81.952 -5.243 15.265 1.00 38.03 ? 914 HOH A O 1 HETATM 7038 O O . HOH KA 8 . ? 24.301 -1.994 5.146 1.00 28.24 ? 915 HOH A O 1 HETATM 7039 O O . HOH KA 8 . ? 54.584 4.202 -7.247 1.00 39.37 ? 916 HOH A O 1 HETATM 7040 O O . HOH KA 8 . ? 63.757 -7.596 25.684 1.00 47.75 ? 917 HOH A O 1 HETATM 7041 O O . HOH KA 8 . ? 50.685 -0.680 28.006 1.00 37.09 ? 918 HOH A O 1 HETATM 7042 O O . HOH KA 8 . ? 63.920 -9.420 23.746 1.00 33.39 ? 919 HOH A O 1 HETATM 7043 O O . HOH KA 8 . ? 73.069 3.792 -2.705 1.00 35.25 ? 920 HOH A O 1 HETATM 7044 O O . HOH KA 8 . ? 56.896 -5.406 -12.334 1.00 42.56 ? 921 HOH A O 1 HETATM 7045 O O . HOH KA 8 . ? 80.125 6.382 3.984 1.00 45.41 ? 922 HOH A O 1 HETATM 7046 O O . HOH KA 8 . ? 51.082 -19.354 4.511 1.00 31.73 ? 923 HOH A O 1 HETATM 7047 O O . HOH KA 8 . ? 36.462 14.320 15.935 1.00 36.08 ? 924 HOH A O 1 HETATM 7048 O O . HOH KA 8 . ? 65.193 17.921 12.700 1.00 59.47 ? 925 HOH A O 1 HETATM 7049 O O . HOH KA 8 . ? 53.180 -1.936 25.051 1.00 30.55 ? 926 HOH A O 1 HETATM 7050 O O . HOH KA 8 . ? 73.075 10.452 1.951 1.00 39.96 ? 927 HOH A O 1 HETATM 7051 O O . HOH KA 8 . ? 18.054 11.364 -4.309 1.00 94.14 ? 928 HOH A O 1 HETATM 7052 O O . HOH KA 8 . ? 46.142 17.193 12.939 1.00 50.40 ? 929 HOH A O 1 HETATM 7053 O O . HOH KA 8 . ? 78.221 -5.045 16.500 1.00 40.59 ? 930 HOH A O 1 HETATM 7054 O O . HOH KA 8 . ? 22.144 -0.037 25.715 1.00 51.61 ? 931 HOH A O 1 HETATM 7055 O O . HOH KA 8 . ? 43.099 16.987 16.672 1.00 35.26 ? 932 HOH A O 1 HETATM 7056 O O . HOH KA 8 . ? 30.998 19.572 0.521 1.00 49.09 ? 933 HOH A O 1 HETATM 7057 O O . HOH KA 8 . ? 36.920 -17.900 4.821 1.00 49.99 ? 934 HOH A O 1 HETATM 7058 O O . HOH KA 8 . ? 51.195 2.635 -9.367 1.00 46.64 ? 935 HOH A O 1 HETATM 7059 O O . HOH KA 8 . ? 34.996 17.054 12.499 1.00 47.46 ? 936 HOH A O 1 HETATM 7060 O O . HOH KA 8 . ? 79.002 -5.067 28.545 1.00 65.42 ? 937 HOH A O 1 HETATM 7061 O O . HOH KA 8 . ? 44.237 -7.089 27.002 1.00 37.26 ? 938 HOH A O 1 HETATM 7062 O O . HOH KA 8 . ? 46.931 7.359 -0.762 1.00 37.85 ? 939 HOH A O 1 HETATM 7063 O O . HOH KA 8 . ? 73.140 -3.323 32.975 1.00 53.13 ? 940 HOH A O 1 HETATM 7064 O O . HOH KA 8 . ? 61.987 -6.422 -12.060 1.00 36.17 ? 941 HOH A O 1 HETATM 7065 O O . HOH KA 8 . ? 81.819 0.875 18.672 1.00 49.57 ? 942 HOH A O 1 HETATM 7066 O O . HOH KA 8 . ? 60.726 20.667 3.022 1.00 44.09 ? 943 HOH A O 1 HETATM 7067 O O . HOH KA 8 . ? 15.441 5.338 -1.861 1.00 65.24 ? 944 HOH A O 1 HETATM 7068 O O . HOH KA 8 . ? 79.201 1.792 27.478 1.00 84.59 ? 945 HOH A O 1 HETATM 7069 O O . HOH KA 8 . ? 45.783 17.646 20.445 1.00 45.39 ? 946 HOH A O 1 HETATM 7070 O O . HOH KA 8 . ? 86.520 4.985 10.762 1.00 51.10 ? 947 HOH A O 1 HETATM 7071 O O . HOH KA 8 . ? 41.403 8.648 27.904 1.00 44.87 ? 948 HOH A O 1 HETATM 7072 O O . HOH KA 8 . ? 71.685 -14.177 11.544 1.00 32.61 ? 949 HOH A O 1 HETATM 7073 O O . HOH KA 8 . ? 71.545 -18.550 3.354 1.00 39.20 ? 950 HOH A O 1 HETATM 7074 O O . HOH KA 8 . ? 48.671 9.458 -1.603 1.00 55.37 ? 951 HOH A O 1 HETATM 7075 O O . HOH KA 8 . ? 69.932 18.793 4.165 1.00 51.26 ? 952 HOH A O 1 HETATM 7076 O O . HOH KA 8 . ? 13.059 8.027 14.537 1.00 57.66 ? 953 HOH A O 1 HETATM 7077 O O . HOH KA 8 . ? 58.979 22.369 10.922 1.00 40.34 ? 954 HOH A O 1 HETATM 7078 O O . HOH KA 8 . ? 50.690 4.056 -5.626 1.00 38.27 ? 955 HOH A O 1 HETATM 7079 O O . HOH KA 8 . ? 32.664 20.809 2.566 1.00 53.70 ? 956 HOH A O 1 HETATM 7080 O O . HOH KA 8 . ? 47.099 17.465 17.342 1.00 43.12 ? 957 HOH A O 1 HETATM 7081 O O . HOH KA 8 . ? 49.398 16.731 20.268 1.00 50.59 ? 958 HOH A O 1 HETATM 7082 O O . HOH KA 8 . ? 74.382 -12.828 -8.157 1.00 45.54 ? 959 HOH A O 1 HETATM 7083 O O . HOH KA 8 . ? 50.566 26.063 1.146 1.00 50.59 ? 960 HOH A O 1 HETATM 7084 O O . HOH KA 8 . ? 31.072 7.919 -3.631 1.00 54.63 ? 961 HOH A O 1 HETATM 7085 O O . HOH KA 8 . ? 46.889 24.674 2.786 1.00 59.89 ? 962 HOH A O 1 HETATM 7086 O O . HOH KA 8 . ? 73.121 1.242 28.800 1.00 44.89 ? 963 HOH A O 1 HETATM 7087 O O . HOH KA 8 . ? 54.245 -6.496 23.059 1.00 24.35 ? 964 HOH A O 1 HETATM 7088 O O . HOH KA 8 . ? 58.117 -1.883 18.822 1.00 21.18 ? 965 HOH A O 1 HETATM 7089 O O . HOH KA 8 . ? 60.201 -13.095 18.656 1.00 29.11 ? 966 HOH A O 1 HETATM 7090 O O . HOH KA 8 . ? 55.889 -11.974 19.875 1.00 25.27 ? 967 HOH A O 1 HETATM 7091 O O . HOH KA 8 . ? 48.334 -17.382 2.267 1.00 28.76 ? 968 HOH A O 1 HETATM 7092 O O . HOH KA 8 . ? 55.323 -0.746 28.327 1.00 33.69 ? 969 HOH A O 1 HETATM 7093 O O . HOH KA 8 . ? 67.417 11.403 28.953 1.00 38.99 ? 970 HOH A O 1 HETATM 7094 O O . HOH KA 8 . ? 46.913 -18.134 14.699 1.00 31.96 ? 971 HOH A O 1 HETATM 7095 O O . HOH KA 8 . ? 43.201 2.711 -3.953 1.00 37.92 ? 972 HOH A O 1 HETATM 7096 O O . HOH KA 8 . ? 76.700 -2.982 3.578 1.00 31.13 ? 973 HOH A O 1 HETATM 7097 O O . HOH KA 8 . ? 52.788 -15.761 -6.591 1.00 39.41 ? 974 HOH A O 1 HETATM 7098 O O . HOH KA 8 . ? 81.644 3.715 15.164 1.00 36.47 ? 975 HOH A O 1 HETATM 7099 O O . HOH KA 8 . ? 70.314 15.830 18.046 1.00 35.23 ? 976 HOH A O 1 HETATM 7100 O O . HOH KA 8 . ? 42.141 5.772 20.185 1.00 26.83 ? 977 HOH A O 1 HETATM 7101 O O . HOH KA 8 . ? 31.991 -13.021 0.847 1.00 38.55 ? 978 HOH A O 1 HETATM 7102 O O . HOH KA 8 . ? 61.577 13.281 27.266 1.00 36.36 ? 979 HOH A O 1 HETATM 7103 O O . HOH KA 8 . ? 76.914 -9.539 14.735 1.00 37.51 ? 980 HOH A O 1 HETATM 7104 O O . HOH KA 8 . ? 74.692 17.015 10.798 1.00 39.82 ? 981 HOH A O 1 HETATM 7105 O O . HOH KA 8 . ? 54.542 6.737 -3.524 1.00 38.04 ? 982 HOH A O 1 HETATM 7106 O O . HOH KA 8 . ? 35.398 8.777 24.717 1.00 33.46 ? 983 HOH A O 1 HETATM 7107 O O . HOH KA 8 . ? 36.070 19.461 5.270 1.00 41.57 ? 984 HOH A O 1 HETATM 7108 O O . HOH KA 8 . ? 64.026 -20.636 -2.623 1.00 42.69 ? 985 HOH A O 1 HETATM 7109 O O . HOH KA 8 . ? 49.199 17.796 10.955 1.00 40.68 ? 986 HOH A O 1 HETATM 7110 O O . HOH KA 8 . ? 63.055 15.934 23.744 1.00 36.78 ? 987 HOH A O 1 HETATM 7111 O O . HOH KA 8 . ? 75.072 16.336 8.111 1.00 44.12 ? 988 HOH A O 1 HETATM 7112 O O . HOH KA 8 . ? 60.220 -6.841 24.931 1.00 35.30 ? 989 HOH A O 1 HETATM 7113 O O . HOH KA 8 . ? 54.381 16.815 24.952 1.00 51.30 ? 990 HOH A O 1 HETATM 7114 O O . HOH KA 8 . ? 77.057 -12.008 9.785 1.00 40.90 ? 991 HOH A O 1 HETATM 7115 O O . HOH KA 8 . ? 38.417 11.147 29.784 1.00 45.99 ? 992 HOH A O 1 HETATM 7116 O O . HOH KA 8 . ? 71.233 9.069 -0.408 1.00 37.80 ? 993 HOH A O 1 HETATM 7117 O O . HOH KA 8 . ? 67.886 -20.698 12.857 1.00 42.47 ? 994 HOH A O 1 HETATM 7118 O O . HOH KA 8 . ? 38.783 11.311 -0.169 1.00 43.24 ? 995 HOH A O 1 HETATM 7119 O O . HOH KA 8 . ? 51.327 19.292 5.412 1.00 78.24 ? 996 HOH A O 1 HETATM 7120 O O . HOH KA 8 . ? 59.392 6.341 31.457 1.00 37.96 ? 997 HOH A O 1 HETATM 7121 O O . HOH KA 8 . ? 45.357 17.046 0.755 1.00 41.65 ? 998 HOH A O 1 HETATM 7122 O O . HOH KA 8 . ? 50.790 -3.723 27.939 1.00 38.17 ? 999 HOH A O 1 HETATM 7123 O O . HOH KA 8 . ? 33.889 -5.538 -1.574 1.00 41.03 ? 1000 HOH A O 1 HETATM 7124 O O . HOH KA 8 . ? 28.539 -9.874 4.501 1.00 44.15 ? 1001 HOH A O 1 HETATM 7125 O O . HOH KA 8 . ? 16.246 2.769 5.993 1.00 45.81 ? 1002 HOH A O 1 HETATM 7126 O O . HOH KA 8 . ? 79.023 2.690 2.009 1.00 43.40 ? 1003 HOH A O 1 HETATM 7127 O O . HOH KA 8 . ? 50.544 -7.681 -13.373 1.00 35.80 ? 1004 HOH A O 1 HETATM 7128 O O . HOH KA 8 . ? 63.979 8.394 33.301 1.00 49.79 ? 1005 HOH A O 1 HETATM 7129 O O . HOH KA 8 . ? 62.026 -22.629 9.610 1.00 46.09 ? 1006 HOH A O 1 HETATM 7130 O O . HOH KA 8 . ? 58.426 -0.998 -12.596 1.00 45.04 ? 1007 HOH A O 1 HETATM 7131 O O . HOH KA 8 . ? 28.439 10.841 19.378 1.00 48.22 ? 1008 HOH A O 1 HETATM 7132 O O . HOH KA 8 . ? 70.397 13.935 0.897 1.00 54.82 ? 1009 HOH A O 1 HETATM 7133 O O . HOH KA 8 . ? 45.116 0.575 30.241 1.00 40.46 ? 1010 HOH A O 1 HETATM 7134 O O . HOH KA 8 . ? 34.018 -9.386 18.626 1.00 39.27 ? 1011 HOH A O 1 HETATM 7135 O O . HOH KA 8 . ? 77.310 0.411 2.602 1.00 33.34 ? 1012 HOH A O 1 HETATM 7136 O O . HOH KA 8 . ? 71.873 -4.882 26.909 1.00 37.44 ? 1013 HOH A O 1 HETATM 7137 O O . HOH KA 8 . ? 88.841 2.147 11.796 1.00 38.31 ? 1014 HOH A O 1 HETATM 7138 O O . HOH KA 8 . ? 39.935 17.433 2.211 1.00 40.33 ? 1015 HOH A O 1 HETATM 7139 O O . HOH KA 8 . ? 43.958 3.529 -6.576 1.00 54.09 ? 1016 HOH A O 1 HETATM 7140 O O . HOH KA 8 . ? 73.002 -10.861 21.277 1.00 40.94 ? 1017 HOH A O 1 HETATM 7141 O O . HOH KA 8 . ? 67.603 -15.413 -4.906 1.00 51.59 ? 1018 HOH A O 1 HETATM 7142 O O . HOH KA 8 . ? 79.876 4.526 8.196 1.00 43.00 ? 1019 HOH A O 1 HETATM 7143 O O . HOH KA 8 . ? 72.919 -16.178 12.266 1.00 40.12 ? 1020 HOH A O 1 HETATM 7144 O O . HOH KA 8 . ? 59.110 -3.936 27.317 1.00 48.87 ? 1021 HOH A O 1 HETATM 7145 O O . HOH KA 8 . ? 65.850 12.518 -1.539 1.00 46.43 ? 1022 HOH A O 1 HETATM 7146 O O . HOH KA 8 . ? 46.045 -19.030 0.988 1.00 39.59 ? 1023 HOH A O 1 HETATM 7147 O O . HOH KA 8 . ? 12.547 3.461 7.910 1.00 49.67 ? 1024 HOH A O 1 HETATM 7148 O O . HOH KA 8 . ? 34.828 11.031 27.601 1.00 54.92 ? 1025 HOH A O 1 HETATM 7149 O O . HOH KA 8 . ? 80.292 -1.128 36.067 1.00 50.45 ? 1026 HOH A O 1 HETATM 7150 O O . HOH KA 8 . ? 16.534 12.676 15.111 1.00 46.93 ? 1027 HOH A O 1 HETATM 7151 O O . HOH KA 8 . ? 58.344 -19.351 -3.376 1.00 46.24 ? 1028 HOH A O 1 HETATM 7152 O O . HOH KA 8 . ? 19.604 -11.885 10.336 1.00 42.66 ? 1029 HOH A O 1 HETATM 7153 O O . HOH KA 8 . ? 24.408 -4.237 1.932 1.00 38.81 ? 1030 HOH A O 1 HETATM 7154 O O . HOH KA 8 . ? 33.899 -17.763 5.461 1.00 49.50 ? 1031 HOH A O 1 HETATM 7155 O O . HOH KA 8 . ? 66.540 17.650 1.640 1.00 43.65 ? 1032 HOH A O 1 HETATM 7156 O O . HOH KA 8 . ? 33.245 -17.304 2.114 1.00 48.09 ? 1033 HOH A O 1 HETATM 7157 O O . HOH KA 8 . ? 12.214 9.136 7.016 1.00 43.76 ? 1034 HOH A O 1 HETATM 7158 O O . HOH KA 8 . ? 39.941 16.619 22.840 1.00 42.97 ? 1035 HOH A O 1 HETATM 7159 O O . HOH KA 8 . ? 71.725 17.632 3.048 1.00 56.16 ? 1036 HOH A O 1 HETATM 7160 O O . HOH KA 8 . ? 28.829 -12.376 24.964 1.00 42.66 ? 1037 HOH A O 1 HETATM 7161 O O . HOH KA 8 . ? 23.948 -6.903 -2.204 1.00 54.11 ? 1038 HOH A O 1 HETATM 7162 O O . HOH KA 8 . ? 61.222 -15.119 17.192 1.00 57.14 ? 1039 HOH A O 1 HETATM 7163 O O . HOH KA 8 . ? 38.446 5.257 -4.808 1.00 46.20 ? 1040 HOH A O 1 HETATM 7164 O O . HOH KA 8 . ? 73.622 7.289 -1.740 1.00 38.86 ? 1041 HOH A O 1 HETATM 7165 O O . HOH KA 8 . ? 55.346 25.509 7.042 1.00 47.87 ? 1042 HOH A O 1 HETATM 7166 O O . HOH KA 8 . ? 66.780 -11.775 22.520 1.00 44.70 ? 1043 HOH A O 1 HETATM 7167 O O . HOH KA 8 . ? 39.989 -1.418 -7.988 1.00 42.91 ? 1044 HOH A O 1 HETATM 7168 O O . HOH KA 8 . ? 71.057 8.658 28.304 1.00 53.63 ? 1045 HOH A O 1 HETATM 7169 O O . HOH KA 8 . ? 63.239 9.542 31.090 1.00 47.64 ? 1046 HOH A O 1 HETATM 7170 O O . HOH KA 8 . ? 65.397 11.548 30.467 1.00 40.34 ? 1047 HOH A O 1 HETATM 7171 O O . HOH KA 8 . ? 16.254 4.401 3.638 1.00 49.60 ? 1048 HOH A O 1 HETATM 7172 O O . HOH KA 8 . ? 83.178 1.611 15.728 1.00 49.52 ? 1049 HOH A O 1 HETATM 7173 O O . HOH KA 8 . ? 36.076 4.593 -3.943 1.00 36.55 ? 1050 HOH A O 1 HETATM 7174 O O . HOH KA 8 . ? 78.400 -7.659 15.972 1.00 42.68 ? 1051 HOH A O 1 HETATM 7175 O O . HOH KA 8 . ? 63.555 -1.700 26.517 1.00 41.10 ? 1052 HOH A O 1 HETATM 7176 O O . HOH KA 8 . ? 60.781 10.606 28.816 1.00 41.19 ? 1053 HOH A O 1 HETATM 7177 O O . HOH KA 8 . ? 78.591 7.647 6.201 1.00 62.35 ? 1054 HOH A O 1 HETATM 7178 O O . HOH KA 8 . ? 66.867 -3.829 29.675 1.00 49.03 ? 1055 HOH A O 1 HETATM 7179 O O . HOH KA 8 . ? 66.827 -19.959 -2.229 1.00 57.05 ? 1056 HOH A O 1 HETATM 7180 O O . HOH KA 8 . ? 47.592 19.129 9.359 1.00 43.34 ? 1057 HOH A O 1 HETATM 7181 O O . HOH KA 8 . ? 36.776 16.346 14.265 1.00 45.13 ? 1058 HOH A O 1 HETATM 7182 O O . HOH KA 8 . ? 39.405 15.821 15.841 1.00 44.54 ? 1059 HOH A O 1 HETATM 7183 O O . HOH KA 8 . ? 73.007 19.109 11.249 1.00 47.90 ? 1060 HOH A O 1 HETATM 7184 O O . HOH KA 8 . ? 58.655 18.278 25.468 1.00 45.68 ? 1061 HOH A O 1 HETATM 7185 O O . HOH KA 8 . ? 70.173 -16.937 15.899 1.00 43.09 ? 1062 HOH A O 1 HETATM 7186 O O . HOH KA 8 . ? 72.700 18.495 7.177 1.00 40.11 ? 1063 HOH A O 1 HETATM 7187 O O . HOH KA 8 . ? 77.973 -0.777 23.011 1.00 59.47 ? 1064 HOH A O 1 HETATM 7188 O O . HOH KA 8 . ? 54.806 -20.754 4.908 1.00 34.90 ? 1065 HOH A O 1 HETATM 7189 O O . HOH KA 8 . ? 64.481 3.639 -9.507 1.00 45.38 ? 1066 HOH A O 1 HETATM 7190 O O . HOH KA 8 . ? 78.160 12.641 15.233 1.00 47.33 ? 1067 HOH A O 1 HETATM 7191 O O . HOH KA 8 . ? 45.625 -9.058 -9.030 1.00 42.47 ? 1068 HOH A O 1 HETATM 7192 O O . HOH KA 8 . ? 43.159 -19.753 -1.461 1.00 49.24 ? 1069 HOH A O 1 HETATM 7193 O O . HOH KA 8 . ? 38.763 -10.823 24.419 1.00 49.92 ? 1070 HOH A O 1 HETATM 7194 O O . HOH KA 8 . ? 50.908 17.882 16.099 1.00 41.66 ? 1071 HOH A O 1 HETATM 7195 O O . HOH KA 8 . ? 68.283 15.552 19.635 1.00 39.56 ? 1072 HOH A O 1 HETATM 7196 O O . HOH KA 8 . ? 27.238 -6.997 -3.213 1.00 49.11 ? 1073 HOH A O 1 HETATM 7197 O O . HOH KA 8 . ? 64.526 0.796 -13.810 1.00 50.64 ? 1074 HOH A O 1 HETATM 7198 O O . HOH KA 8 . ? 66.862 13.964 27.004 1.00 50.72 ? 1075 HOH A O 1 HETATM 7199 O O . HOH KA 8 . ? 23.136 -8.809 25.272 1.00 48.87 ? 1076 HOH A O 1 HETATM 7200 O O . HOH KA 8 . ? 79.498 8.686 18.025 1.00 33.74 ? 1077 HOH A O 1 HETATM 7201 O O . HOH KA 8 . ? 58.380 3.740 31.883 1.00 50.63 ? 1078 HOH A O 1 HETATM 7202 O O . HOH KA 8 . ? 29.983 9.729 21.665 1.00 46.25 ? 1079 HOH A O 1 HETATM 7203 O O . HOH KA 8 . ? 71.425 -7.414 27.550 1.00 52.90 ? 1080 HOH A O 1 HETATM 7204 O O . HOH KA 8 . ? 36.019 14.134 20.299 1.00 49.35 ? 1081 HOH A O 1 HETATM 7205 O O . HOH KA 8 . ? 68.275 12.908 -0.683 1.00 52.01 ? 1082 HOH A O 1 HETATM 7206 O O . HOH KA 8 . ? 70.510 18.230 16.621 1.00 52.13 ? 1083 HOH A O 1 HETATM 7207 O O . HOH KA 8 . ? 44.127 18.257 5.692 1.00 49.88 ? 1084 HOH A O 1 HETATM 7208 O O . HOH KA 8 . ? 45.888 13.104 0.050 1.00 44.28 ? 1085 HOH A O 1 HETATM 7209 O O . HOH KA 8 . ? 41.064 6.237 30.363 1.00 52.10 ? 1086 HOH A O 1 HETATM 7210 O O . HOH KA 8 . ? 44.926 -2.104 -8.781 1.00 50.05 ? 1087 HOH A O 1 HETATM 7211 O O . HOH KA 8 . ? 27.874 16.259 6.953 1.00 43.82 ? 1088 HOH A O 1 HETATM 7212 O O . HOH KA 8 . ? 43.312 -2.597 28.302 1.00 46.87 ? 1089 HOH A O 1 HETATM 7213 O O . HOH KA 8 . ? 35.114 -12.938 21.900 1.00 50.75 ? 1090 HOH A O 1 HETATM 7214 O O . HOH KA 8 . ? 42.984 17.929 9.210 1.00 42.76 ? 1091 HOH A O 1 HETATM 7215 O O . HOH KA 8 . ? 51.749 -0.324 31.068 1.00 56.57 ? 1092 HOH A O 1 HETATM 7216 O O . HOH KA 8 . ? 32.330 3.557 -4.537 1.00 53.35 ? 1093 HOH A O 1 HETATM 7217 O O . HOH KA 8 . ? 39.252 -6.459 -5.232 1.00 53.93 ? 1094 HOH A O 1 HETATM 7218 O O . HOH KA 8 . ? 70.660 -20.875 1.882 1.00 60.99 ? 1095 HOH A O 1 HETATM 7219 O O . HOH KA 8 . ? 56.559 6.306 -8.045 1.00 54.67 ? 1096 HOH A O 1 HETATM 7220 O O . HOH KA 8 . ? 46.453 2.206 -11.471 1.00 54.10 ? 1097 HOH A O 1 HETATM 7221 O O . HOH KA 8 . ? 66.546 9.138 -4.411 1.00 45.05 ? 1098 HOH A O 1 HETATM 7222 O O . HOH KA 8 . ? 56.265 9.368 -3.343 1.00 51.69 ? 1099 HOH A O 1 HETATM 7223 O O . HOH KA 8 . ? 62.456 22.684 3.736 1.00 50.46 ? 1100 HOH A O 1 HETATM 7224 O O . HOH KA 8 . ? 18.005 15.635 -0.795 1.00 76.41 ? 1101 HOH A O 1 HETATM 7225 O O . HOH KA 8 . ? 61.416 -25.480 1.252 1.00 47.55 ? 1102 HOH A O 1 HETATM 7226 O O . HOH KA 8 . ? 48.647 16.500 23.331 1.00 48.59 ? 1103 HOH A O 1 HETATM 7227 O O . HOH KA 8 . ? 23.091 21.793 -0.713 1.00 69.44 ? 1104 HOH A O 1 HETATM 7228 O O . HOH KA 8 . ? 68.654 -23.127 1.008 1.00 47.02 ? 1105 HOH A O 1 HETATM 7229 O O . HOH KA 8 . ? 26.692 15.397 11.647 1.00 52.91 ? 1106 HOH A O 1 HETATM 7230 O O . HOH KA 8 . ? 71.439 19.955 9.175 1.00 46.58 ? 1107 HOH A O 1 HETATM 7231 O O . HOH KA 8 . ? 29.422 -7.926 1.383 1.00 51.07 ? 1108 HOH A O 1 HETATM 7232 O O . HOH KA 8 . ? 19.517 -11.716 17.921 1.00 53.04 ? 1109 HOH A O 1 HETATM 7233 O O . HOH KA 8 . ? 76.051 14.855 13.805 1.00 42.79 ? 1110 HOH A O 1 HETATM 7234 O O . HOH KA 8 . ? 48.323 -21.419 1.163 1.00 64.46 ? 1111 HOH A O 1 HETATM 7235 O O . HOH KA 8 . ? 34.776 2.519 -4.913 1.00 33.51 ? 1112 HOH A O 1 HETATM 7236 O O . HOH KA 8 . ? 71.892 -15.436 14.501 1.00 58.80 ? 1113 HOH A O 1 HETATM 7237 O O . HOH KA 8 . ? 42.577 18.695 3.482 1.00 52.00 ? 1114 HOH A O 1 HETATM 7238 O O . HOH KA 8 . ? 71.853 -8.988 -9.847 1.00 53.48 ? 1115 HOH A O 1 HETATM 7239 O O . HOH KA 8 . ? 69.301 -13.609 -3.241 1.00 46.22 ? 1116 HOH A O 1 HETATM 7240 O O . HOH KA 8 . ? 17.443 9.819 -2.143 1.00 48.67 ? 1117 HOH A O 1 HETATM 7241 O O . HOH KA 8 . ? 78.734 13.380 10.500 1.00 47.17 ? 1118 HOH A O 1 HETATM 7242 O O . HOH KA 8 . ? 46.276 23.783 0.224 1.00 57.55 ? 1119 HOH A O 1 HETATM 7243 O O . HOH KA 8 . ? 40.591 19.057 9.681 1.00 50.13 ? 1120 HOH A O 1 HETATM 7244 O O . HOH KA 8 . ? 50.110 5.833 -4.054 1.00 43.77 ? 1121 HOH A O 1 HETATM 7245 O O . HOH KA 8 . ? 53.077 17.473 9.205 1.00 53.22 ? 1122 HOH A O 1 HETATM 7246 O O . HOH KA 8 . ? 52.735 -6.347 -14.112 1.00 54.83 ? 1123 HOH A O 1 HETATM 7247 O O . HOH KA 8 . ? 40.256 14.139 -1.788 1.00 62.04 ? 1124 HOH A O 1 HETATM 7248 O O . HOH KA 8 . ? 27.562 -11.479 26.954 1.00 51.32 ? 1125 HOH A O 1 HETATM 7249 O O . HOH KA 8 . ? 73.607 16.354 4.096 1.00 54.87 ? 1126 HOH A O 1 HETATM 7250 O O . HOH KA 8 . ? 42.298 8.492 -1.715 1.00 44.77 ? 1127 HOH A O 1 HETATM 7251 O O . HOH KA 8 . ? 44.357 0.317 -9.779 1.00 56.45 ? 1128 HOH A O 1 HETATM 7252 O O . HOH KA 8 . ? 73.846 10.185 27.185 1.00 52.86 ? 1129 HOH A O 1 HETATM 7253 O O . HOH KA 8 . ? 75.869 -20.843 6.808 1.00 51.86 ? 1130 HOH A O 1 HETATM 7254 O O . HOH KA 8 . ? 21.814 -2.084 4.035 1.00 45.62 ? 1131 HOH A O 1 HETATM 7255 O O . HOH KA 8 . ? 75.583 -4.283 19.583 1.00 44.37 ? 1132 HOH A O 1 HETATM 7256 O O . HOH KA 8 . ? 60.029 -1.238 28.654 1.00 39.91 ? 1133 HOH A O 1 HETATM 7257 O O . HOH KA 8 . ? 16.653 2.090 18.048 1.00 51.75 ? 1134 HOH A O 1 HETATM 7258 O O . HOH KA 8 . ? 56.035 17.944 26.307 1.00 45.11 ? 1135 HOH A O 1 HETATM 7259 O O . HOH KA 8 . ? 26.392 19.491 1.838 1.00 61.72 ? 1136 HOH A O 1 HETATM 7260 O O . HOH KA 8 . ? 81.170 -0.187 27.638 1.00 58.05 ? 1137 HOH A O 1 HETATM 7261 O O . HOH KA 8 . ? 77.559 1.365 24.572 1.00 54.88 ? 1138 HOH A O 1 HETATM 7262 O O . HOH KA 8 . ? 24.986 19.502 4.282 1.00 51.83 ? 1139 HOH A O 1 HETATM 7263 O O . HOH KA 8 . ? 61.839 7.037 34.093 1.00 58.02 ? 1140 HOH A O 1 HETATM 7264 O O . HOH KA 8 . ? 51.194 9.455 -1.048 1.00 48.06 ? 1141 HOH A O 1 HETATM 7265 O O . HOH KA 8 . ? 30.046 14.558 0.714 1.00 43.41 ? 1142 HOH A O 1 HETATM 7266 O O . HOH KA 8 . ? 31.329 -14.787 24.300 1.00 53.09 ? 1143 HOH A O 1 HETATM 7267 O O . HOH KA 8 . ? 64.598 5.228 35.104 1.00 59.62 ? 1144 HOH A O 1 HETATM 7268 O O . HOH KA 8 . ? 80.978 7.686 11.441 1.00 56.15 ? 1145 HOH A O 1 HETATM 7269 O O . HOH KA 8 . ? 38.410 12.834 21.035 1.00 26.81 ? 1146 HOH A O 1 HETATM 7270 O O . HOH KA 8 . ? 77.760 -1.107 5.297 1.00 24.48 ? 1147 HOH A O 1 HETATM 7271 O O . HOH KA 8 . ? 77.113 2.277 0.080 0.50 45.41 ? 1148 HOH A O 1 HETATM 7272 O O . HOH KA 8 . ? 49.996 5.329 -1.365 1.00 38.84 ? 1149 HOH A O 1 HETATM 7273 O O . HOH KA 8 . ? 73.665 -13.600 -5.249 1.00 37.80 ? 1150 HOH A O 1 HETATM 7274 O O . HOH KA 8 . ? 63.720 -12.844 -7.117 1.00 50.15 ? 1151 HOH A O 1 HETATM 7275 O O . HOH KA 8 . ? 39.322 1.353 19.564 1.00 33.03 ? 1152 HOH A O 1 HETATM 7276 O O . HOH KA 8 . ? 35.814 13.562 24.978 1.00 60.73 ? 1153 HOH A O 1 HETATM 7277 O O . HOH KA 8 . ? 69.663 -1.146 31.769 1.00 69.44 ? 1154 HOH A O 1 HETATM 7278 O O . HOH KA 8 . ? 69.708 -24.852 8.989 1.00 49.07 ? 1155 HOH A O 1 HETATM 7279 O O . HOH KA 8 . ? 70.595 -10.748 10.223 1.00 142.75 ? 1156 HOH A O 1 HETATM 7280 O O . HOH KA 8 . ? 23.340 -8.576 5.056 1.00 53.77 ? 1157 HOH A O 1 HETATM 7281 O O . HOH KA 8 . ? 70.941 -10.002 24.122 1.00 62.42 ? 1158 HOH A O 1 HETATM 7282 O O . HOH KA 8 . ? 14.087 -7.002 12.030 1.00 70.41 ? 1159 HOH A O 1 HETATM 7283 O O . HOH KA 8 . ? 30.525 -11.658 23.296 1.00 50.11 ? 1160 HOH A O 1 HETATM 7284 O O . HOH KA 8 . ? 13.358 19.557 6.721 1.00 61.52 ? 1161 HOH A O 1 HETATM 7285 O O . HOH KA 8 . ? 84.068 6.775 9.173 1.00 68.55 ? 1162 HOH A O 1 HETATM 7286 O O . HOH KA 8 . ? 35.524 -6.564 -3.905 1.00 68.84 ? 1163 HOH A O 1 HETATM 7287 O O . HOH KA 8 . ? 57.183 0.410 31.593 1.00 54.04 ? 1164 HOH A O 1 HETATM 7288 O O . HOH KA 8 . ? 45.004 -9.429 29.035 1.00 89.12 ? 1165 HOH A O 1 HETATM 7289 O O . HOH KA 8 . ? 52.723 5.828 -5.466 1.00 53.59 ? 1166 HOH A O 1 HETATM 7290 O O . HOH KA 8 . ? 43.339 -3.790 -7.791 1.00 49.83 ? 1167 HOH A O 1 HETATM 7291 O O . HOH KA 8 . ? 34.376 -0.274 27.056 1.00 52.82 ? 1168 HOH A O 1 HETATM 7292 O O . HOH KA 8 . ? 48.330 14.384 24.664 1.00 29.62 ? 1169 HOH A O 1 HETATM 7293 O O . HOH LA 8 . ? 33.555 -38.646 25.921 1.00 16.73 ? 601 HOH B O 1 HETATM 7294 O O . HOH LA 8 . ? 52.322 -22.773 14.614 1.00 16.66 ? 602 HOH B O 1 HETATM 7295 O O . HOH LA 8 . ? 27.505 -31.282 21.808 1.00 17.07 ? 603 HOH B O 1 HETATM 7296 O O . HOH LA 8 . ? 34.260 -35.528 25.182 1.00 17.02 ? 604 HOH B O 1 HETATM 7297 O O . HOH LA 8 . ? 33.738 -15.525 9.423 1.00 16.68 ? 605 HOH B O 1 HETATM 7298 O O . HOH LA 8 . ? 34.092 -43.656 19.989 1.00 19.91 ? 606 HOH B O 1 HETATM 7299 O O . HOH LA 8 . ? 31.730 -27.036 27.333 1.00 16.18 ? 607 HOH B O 1 HETATM 7300 O O . HOH LA 8 . ? 44.172 -26.824 11.602 1.00 16.03 ? 608 HOH B O 1 HETATM 7301 O O . HOH LA 8 . ? 38.551 -15.558 20.187 1.00 17.03 ? 609 HOH B O 1 HETATM 7302 O O . HOH LA 8 . ? 31.127 -49.135 20.908 1.00 22.23 ? 610 HOH B O 1 HETATM 7303 O O . HOH LA 8 . ? 29.501 -31.655 19.659 1.00 15.64 ? 611 HOH B O 1 HETATM 7304 O O . HOH LA 8 . ? 38.600 -45.446 21.219 1.00 20.34 ? 612 HOH B O 1 HETATM 7305 O O . HOH LA 8 . ? 28.600 -26.657 13.494 1.00 17.28 ? 613 HOH B O 1 HETATM 7306 O O . HOH LA 8 . ? 34.726 -14.837 17.634 1.00 17.91 ? 614 HOH B O 1 HETATM 7307 O O . HOH LA 8 . ? 27.335 -19.098 15.450 1.00 19.35 ? 615 HOH B O 1 HETATM 7308 O O . HOH LA 8 . ? 25.491 -24.403 24.645 1.00 19.37 ? 616 HOH B O 1 HETATM 7309 O O . HOH LA 8 . ? 46.269 -33.225 9.552 1.00 20.14 ? 617 HOH B O 1 HETATM 7310 O O . HOH LA 8 . ? 37.412 -16.023 17.740 1.00 14.50 ? 618 HOH B O 1 HETATM 7311 O O . HOH LA 8 . ? 32.824 -20.652 13.522 1.00 20.02 ? 619 HOH B O 1 HETATM 7312 O O . HOH LA 8 . ? 37.440 -43.239 28.213 1.00 18.64 ? 620 HOH B O 1 HETATM 7313 O O . HOH LA 8 . ? 47.990 -26.823 10.745 1.00 16.91 ? 621 HOH B O 1 HETATM 7314 O O . HOH LA 8 . ? 22.617 -47.673 33.155 1.00 25.04 ? 622 HOH B O 1 HETATM 7315 O O . HOH LA 8 . ? 40.262 -18.829 7.520 1.00 26.92 ? 623 HOH B O 1 HETATM 7316 O O . HOH LA 8 . ? 30.043 -28.890 28.391 1.00 16.13 ? 624 HOH B O 1 HETATM 7317 O O . HOH LA 8 . ? 43.417 -42.013 26.802 1.00 23.90 ? 625 HOH B O 1 HETATM 7318 O O . HOH LA 8 . ? 33.890 -22.616 10.507 1.00 16.99 ? 626 HOH B O 1 HETATM 7319 O O . HOH LA 8 . ? 30.154 -22.422 6.063 1.00 21.88 ? 627 HOH B O 1 HETATM 7320 O O . HOH LA 8 . ? 17.926 -17.924 14.254 1.00 37.30 ? 628 HOH B O 1 HETATM 7321 O O . HOH LA 8 . ? 23.221 -38.359 3.466 1.00 28.06 ? 629 HOH B O 1 HETATM 7322 O O . HOH LA 8 . ? 58.894 -42.092 15.297 1.00 30.65 ? 630 HOH B O 1 HETATM 7323 O O . HOH LA 8 . ? 33.736 -42.921 8.175 1.00 30.13 ? 631 HOH B O 1 HETATM 7324 O O . HOH LA 8 . ? 52.103 -24.060 6.543 1.00 24.98 ? 632 HOH B O 1 HETATM 7325 O O . HOH LA 8 . ? 59.732 -23.879 13.095 1.00 31.92 ? 633 HOH B O 1 HETATM 7326 O O . HOH LA 8 . ? 17.040 -46.574 30.193 1.00 23.60 ? 634 HOH B O 1 HETATM 7327 O O . HOH LA 8 . ? 38.391 -28.295 4.134 1.00 22.79 ? 635 HOH B O 1 HETATM 7328 O O . HOH LA 8 . ? 16.765 -23.299 19.880 1.00 30.92 ? 636 HOH B O 1 HETATM 7329 O O . HOH LA 8 . ? 29.719 -18.603 7.830 1.00 29.70 ? 637 HOH B O 1 HETATM 7330 O O . HOH LA 8 . ? 46.683 -30.537 9.115 1.00 22.60 ? 638 HOH B O 1 HETATM 7331 O O . HOH LA 8 . ? 41.455 -48.516 14.211 1.00 31.03 ? 639 HOH B O 1 HETATM 7332 O O . HOH LA 8 . ? 6.438 -36.555 37.441 1.00 37.09 ? 640 HOH B O 1 HETATM 7333 O O . HOH LA 8 . ? 44.459 -20.330 6.739 1.00 26.91 ? 641 HOH B O 1 HETATM 7334 O O . HOH LA 8 . ? 32.491 -20.682 26.374 1.00 22.07 ? 642 HOH B O 1 HETATM 7335 O O . HOH LA 8 . ? 22.590 -32.535 23.624 1.00 20.63 ? 643 HOH B O 1 HETATM 7336 O O . HOH LA 8 . ? 14.596 -44.928 27.210 1.00 28.40 ? 644 HOH B O 1 HETATM 7337 O O . HOH LA 8 . ? 25.114 -31.174 23.372 1.00 18.67 ? 645 HOH B O 1 HETATM 7338 O O . HOH LA 8 . ? 24.588 -28.610 24.197 1.00 18.34 ? 646 HOH B O 1 HETATM 7339 O O . HOH LA 8 . ? 43.916 -34.034 35.389 1.00 27.99 ? 647 HOH B O 1 HETATM 7340 O O . HOH LA 8 . ? 16.753 -43.890 30.939 1.00 24.89 ? 648 HOH B O 1 HETATM 7341 O O . HOH LA 8 . ? 27.110 -23.128 7.438 1.00 23.14 ? 649 HOH B O 1 HETATM 7342 O O . HOH LA 8 . ? 16.833 -27.661 2.559 1.00 38.03 ? 650 HOH B O 1 HETATM 7343 O O . HOH LA 8 . ? 38.738 -32.803 5.751 1.00 22.85 ? 651 HOH B O 1 HETATM 7344 O O . HOH LA 8 . ? 18.073 -42.570 19.900 1.00 26.10 ? 652 HOH B O 1 HETATM 7345 O O . HOH LA 8 . ? 40.645 -36.097 28.139 1.00 25.60 ? 653 HOH B O 1 HETATM 7346 O O . HOH LA 8 . ? 18.180 -15.646 20.771 1.00 32.34 ? 654 HOH B O 1 HETATM 7347 O O . HOH LA 8 . ? 36.186 -20.270 8.792 1.00 25.73 ? 655 HOH B O 1 HETATM 7348 O O . HOH LA 8 . ? 10.710 -28.181 29.815 1.00 29.91 ? 656 HOH B O 1 HETATM 7349 O O . HOH LA 8 . ? 51.609 -35.093 8.475 1.00 27.21 ? 657 HOH B O 1 HETATM 7350 O O . HOH LA 8 . ? 34.459 -21.551 4.337 1.00 24.45 ? 658 HOH B O 1 HETATM 7351 O O . HOH LA 8 . ? 25.037 -33.718 26.895 1.00 20.95 ? 659 HOH B O 1 HETATM 7352 O O . HOH LA 8 . ? 38.933 -22.884 31.092 1.00 26.15 ? 660 HOH B O 1 HETATM 7353 O O . HOH LA 8 . ? 5.634 -26.213 33.463 1.00 37.49 ? 661 HOH B O 1 HETATM 7354 O O . HOH LA 8 . ? 24.427 -29.324 3.576 1.00 26.22 ? 662 HOH B O 1 HETATM 7355 O O . HOH LA 8 . ? 36.546 -22.790 7.774 1.00 26.37 ? 663 HOH B O 1 HETATM 7356 O O . HOH LA 8 . ? 16.681 -43.416 28.234 1.00 25.26 ? 664 HOH B O 1 HETATM 7357 O O . HOH LA 8 . ? 14.215 -14.996 6.900 1.00 43.04 ? 665 HOH B O 1 HETATM 7358 O O . HOH LA 8 . ? 29.211 -19.516 27.576 1.00 26.88 ? 666 HOH B O 1 HETATM 7359 O O . HOH LA 8 . ? 3.976 -36.370 35.509 1.00 36.88 ? 667 HOH B O 1 HETATM 7360 O O . HOH LA 8 . ? 39.776 -30.141 5.574 1.00 22.14 ? 668 HOH B O 1 HETATM 7361 O O . HOH LA 8 . ? 45.662 -41.174 25.723 1.00 25.48 ? 669 HOH B O 1 HETATM 7362 O O . HOH LA 8 . ? 32.697 -30.038 43.787 1.00 50.73 ? 670 HOH B O 1 HETATM 7363 O O . HOH LA 8 . ? 14.278 -38.440 44.776 1.00 50.54 ? 671 HOH B O 1 HETATM 7364 O O . HOH LA 8 . ? -0.127 -36.074 28.563 1.00 54.47 ? 672 HOH B O 1 HETATM 7365 O O . HOH LA 8 . ? 35.102 -46.520 13.714 1.00 27.92 ? 673 HOH B O 1 HETATM 7366 O O . HOH LA 8 . ? 28.829 -46.063 36.603 1.00 40.28 ? 674 HOH B O 1 HETATM 7367 O O . HOH LA 8 . ? 28.055 -39.465 1.950 1.00 57.08 ? 675 HOH B O 1 HETATM 7368 O O . HOH LA 8 . ? 34.557 -23.555 0.321 1.00 29.83 ? 676 HOH B O 1 HETATM 7369 O O . HOH LA 8 . ? 18.733 -29.920 22.148 1.00 24.84 ? 677 HOH B O 1 HETATM 7370 O O . HOH LA 8 . ? 58.474 -16.376 16.099 1.00 29.09 ? 678 HOH B O 1 HETATM 7371 O O . HOH LA 8 . ? 42.405 -38.745 5.128 1.00 31.70 ? 679 HOH B O 1 HETATM 7372 O O . HOH LA 8 . ? 25.805 -25.445 0.747 1.00 45.64 ? 680 HOH B O 1 HETATM 7373 O O . HOH LA 8 . ? 23.219 -32.014 28.368 1.00 24.60 ? 681 HOH B O 1 HETATM 7374 O O . HOH LA 8 . ? 37.207 -48.213 13.173 1.00 39.21 ? 682 HOH B O 1 HETATM 7375 O O . HOH LA 8 . ? 15.258 -25.175 18.971 1.00 26.50 ? 683 HOH B O 1 HETATM 7376 O O . HOH LA 8 . ? 16.324 -49.693 25.635 1.00 35.06 ? 684 HOH B O 1 HETATM 7377 O O . HOH LA 8 . ? 11.091 -50.420 30.244 1.00 41.64 ? 685 HOH B O 1 HETATM 7378 O O . HOH LA 8 . ? 18.847 -27.835 47.150 1.00 45.18 ? 686 HOH B O 1 HETATM 7379 O O . HOH LA 8 . ? 26.928 -20.836 5.987 1.00 32.51 ? 687 HOH B O 1 HETATM 7380 O O . HOH LA 8 . ? 25.856 -20.714 9.942 1.00 22.20 ? 688 HOH B O 1 HETATM 7381 O O . HOH LA 8 . ? 44.628 -28.633 9.595 1.00 26.57 ? 689 HOH B O 1 HETATM 7382 O O . HOH LA 8 . ? 40.699 -53.672 19.416 1.00 41.61 ? 690 HOH B O 1 HETATM 7383 O O . HOH LA 8 . ? 19.812 -16.519 12.446 1.00 40.69 ? 691 HOH B O 1 HETATM 7384 O O . HOH LA 8 . ? 5.264 -36.277 8.542 1.00 44.45 ? 692 HOH B O 1 HETATM 7385 O O . HOH LA 8 . ? 56.623 -20.696 14.441 1.00 31.60 ? 693 HOH B O 1 HETATM 7386 O O . HOH LA 8 . ? 38.591 -28.771 1.417 1.00 37.26 ? 694 HOH B O 1 HETATM 7387 O O . HOH LA 8 . ? 2.611 -31.590 18.893 1.00 42.32 ? 695 HOH B O 1 HETATM 7388 O O . HOH LA 8 . ? 13.427 -14.872 21.897 1.00 36.46 ? 696 HOH B O 1 HETATM 7389 O O . HOH LA 8 . ? 33.950 -21.044 28.628 1.00 32.22 ? 697 HOH B O 1 HETATM 7390 O O . HOH LA 8 . ? 22.633 -31.585 42.581 1.00 35.26 ? 698 HOH B O 1 HETATM 7391 O O . HOH LA 8 . ? 10.240 -41.502 37.324 1.00 31.79 ? 699 HOH B O 1 HETATM 7392 O O . HOH LA 8 . ? 3.760 -33.207 28.487 1.00 39.72 ? 700 HOH B O 1 HETATM 7393 O O . HOH LA 8 . ? 24.023 -47.606 25.938 1.00 28.48 ? 701 HOH B O 1 HETATM 7394 O O . HOH LA 8 . ? 46.250 -32.092 32.777 1.00 39.78 ? 702 HOH B O 1 HETATM 7395 O O . HOH LA 8 . ? 48.468 -40.261 29.367 1.00 43.56 ? 703 HOH B O 1 HETATM 7396 O O . HOH LA 8 . ? 49.558 -27.810 8.726 1.00 31.36 ? 704 HOH B O 1 HETATM 7397 O O . HOH LA 8 . ? 14.226 -44.274 19.738 1.00 34.24 ? 705 HOH B O 1 HETATM 7398 O O . HOH LA 8 . ? 7.190 -42.970 32.219 1.00 34.17 ? 706 HOH B O 1 HETATM 7399 O O . HOH LA 8 . ? 36.879 -40.114 37.431 1.00 30.29 ? 707 HOH B O 1 HETATM 7400 O O . HOH LA 8 . ? 26.088 -36.015 40.130 1.00 34.20 ? 708 HOH B O 1 HETATM 7401 O O . HOH LA 8 . ? 9.257 -43.877 36.415 1.00 38.95 ? 709 HOH B O 1 HETATM 7402 O O . HOH LA 8 . ? 26.075 -33.723 38.508 1.00 34.76 ? 710 HOH B O 1 HETATM 7403 O O . HOH LA 8 . ? 0.561 -26.768 19.177 1.00 44.51 ? 711 HOH B O 1 HETATM 7404 O O . HOH LA 8 . ? 16.811 -44.800 18.738 1.00 33.35 ? 712 HOH B O 1 HETATM 7405 O O . HOH LA 8 . ? 60.311 -29.062 17.646 1.00 36.58 ? 713 HOH B O 1 HETATM 7406 O O . HOH LA 8 . ? 48.861 -31.812 7.527 1.00 30.50 ? 714 HOH B O 1 HETATM 7407 O O . HOH LA 8 . ? 5.557 -39.495 15.538 1.00 41.67 ? 715 HOH B O 1 HETATM 7408 O O . HOH LA 8 . ? 45.605 -22.713 6.315 1.00 27.07 ? 716 HOH B O 1 HETATM 7409 O O . HOH LA 8 . ? -8.077 -32.490 31.365 1.00 62.27 ? 717 HOH B O 1 HETATM 7410 O O . HOH LA 8 . ? 23.453 -50.577 26.642 1.00 31.40 ? 718 HOH B O 1 HETATM 7411 O O . HOH LA 8 . ? 7.551 -41.698 13.438 1.00 39.25 ? 719 HOH B O 1 HETATM 7412 O O . HOH LA 8 . ? 37.378 -13.684 21.748 1.00 30.00 ? 720 HOH B O 1 HETATM 7413 O O . HOH LA 8 . ? 7.181 -23.458 10.057 1.00 54.73 ? 721 HOH B O 1 HETATM 7414 O O . HOH LA 8 . ? 12.196 -47.053 35.288 1.00 40.30 ? 722 HOH B O 1 HETATM 7415 O O . HOH LA 8 . ? 1.649 -33.992 14.587 1.00 45.29 ? 723 HOH B O 1 HETATM 7416 O O . HOH LA 8 . ? 6.051 -29.475 13.614 1.00 42.19 ? 724 HOH B O 1 HETATM 7417 O O . HOH LA 8 . ? 30.878 -26.844 35.053 1.00 26.79 ? 725 HOH B O 1 HETATM 7418 O O . HOH LA 8 . ? 11.150 -29.747 3.740 1.00 56.72 ? 726 HOH B O 1 HETATM 7419 O O . HOH LA 8 . ? 59.728 -26.773 23.207 1.00 41.27 ? 727 HOH B O 1 HETATM 7420 O O . HOH LA 8 . ? 44.981 -18.302 19.326 1.00 28.15 ? 728 HOH B O 1 HETATM 7421 O O . HOH LA 8 . ? 24.902 -47.186 19.285 1.00 37.81 ? 729 HOH B O 1 HETATM 7422 O O . HOH LA 8 . ? 18.695 -20.743 36.488 1.00 45.03 ? 730 HOH B O 1 HETATM 7423 O O . HOH LA 8 . ? 31.989 -29.274 40.942 1.00 30.68 ? 731 HOH B O 1 HETATM 7424 O O . HOH LA 8 . ? 38.379 -45.819 28.964 1.00 37.31 ? 732 HOH B O 1 HETATM 7425 O O . HOH LA 8 . ? 17.888 -33.727 21.990 1.00 24.19 ? 733 HOH B O 1 HETATM 7426 O O . HOH LA 8 . ? 29.553 -25.031 33.777 1.00 46.64 ? 734 HOH B O 1 HETATM 7427 O O . HOH LA 8 . ? 32.737 -37.965 40.274 1.00 31.33 ? 735 HOH B O 1 HETATM 7428 O O . HOH LA 8 . ? 13.329 -22.286 7.539 1.00 40.13 ? 736 HOH B O 1 HETATM 7429 O O . HOH LA 8 . ? 26.947 -19.253 7.956 1.00 33.39 ? 737 HOH B O 1 HETATM 7430 O O . HOH LA 8 . ? 20.310 -32.167 22.045 1.00 20.20 ? 738 HOH B O 1 HETATM 7431 O O . HOH LA 8 . ? 39.112 -34.608 29.654 1.00 29.42 ? 739 HOH B O 1 HETATM 7432 O O . HOH LA 8 . ? 39.225 -46.892 14.531 1.00 33.05 ? 740 HOH B O 1 HETATM 7433 O O . HOH LA 8 . ? 32.490 -24.864 36.132 1.00 37.34 ? 741 HOH B O 1 HETATM 7434 O O . HOH LA 8 . ? 39.745 -38.903 5.274 1.00 47.98 ? 742 HOH B O 1 HETATM 7435 O O . HOH LA 8 . ? 59.251 -36.219 8.724 1.00 48.65 ? 743 HOH B O 1 HETATM 7436 O O . HOH LA 8 . ? 22.913 -27.205 29.490 1.00 25.36 ? 744 HOH B O 1 HETATM 7437 O O . HOH LA 8 . ? 62.740 -35.244 15.574 1.00 39.85 ? 745 HOH B O 1 HETATM 7438 O O . HOH LA 8 . ? 22.650 -45.507 19.173 1.00 31.27 ? 746 HOH B O 1 HETATM 7439 O O . HOH LA 8 . ? 63.263 -26.151 12.891 1.00 49.50 ? 747 HOH B O 1 HETATM 7440 O O . HOH LA 8 . ? 31.900 -40.929 40.941 1.00 38.40 ? 748 HOH B O 1 HETATM 7441 O O . HOH LA 8 . ? 19.921 -19.649 4.833 1.00 42.07 ? 749 HOH B O 1 HETATM 7442 O O . HOH LA 8 . ? 18.772 -42.849 11.934 1.00 34.39 ? 750 HOH B O 1 HETATM 7443 O O . HOH LA 8 . ? 45.238 -26.856 7.692 1.00 25.36 ? 751 HOH B O 1 HETATM 7444 O O . HOH LA 8 . ? 50.806 -22.266 5.100 1.00 34.85 ? 752 HOH B O 1 HETATM 7445 O O . HOH LA 8 . ? 42.983 -40.905 35.069 1.00 28.34 ? 753 HOH B O 1 HETATM 7446 O O . HOH LA 8 . ? 13.925 -43.791 15.509 1.00 42.33 ? 754 HOH B O 1 HETATM 7447 O O . HOH LA 8 . ? 23.648 -43.200 8.652 1.00 41.06 ? 755 HOH B O 1 HETATM 7448 O O . HOH LA 8 . ? 24.305 -52.354 24.873 1.00 40.53 ? 756 HOH B O 1 HETATM 7449 O O . HOH LA 8 . ? 47.830 -41.896 27.183 1.00 33.31 ? 757 HOH B O 1 HETATM 7450 O O . HOH LA 8 . ? 12.920 -51.666 28.337 1.00 39.93 ? 758 HOH B O 1 HETATM 7451 O O . HOH LA 8 . ? 41.865 -33.790 27.735 1.00 29.98 ? 759 HOH B O 1 HETATM 7452 O O . HOH LA 8 . ? 23.112 -18.816 6.175 1.00 38.66 ? 760 HOH B O 1 HETATM 7453 O O . HOH LA 8 . ? 30.194 -50.082 18.600 1.00 39.21 ? 761 HOH B O 1 HETATM 7454 O O . HOH LA 8 . ? 49.065 -47.291 17.891 1.00 38.99 ? 762 HOH B O 1 HETATM 7455 O O . HOH LA 8 . ? 48.295 -32.706 30.509 1.00 47.61 ? 763 HOH B O 1 HETATM 7456 O O . HOH LA 8 . ? 11.092 -49.040 33.870 1.00 42.07 ? 764 HOH B O 1 HETATM 7457 O O . HOH LA 8 . ? 16.950 -25.332 1.868 1.00 47.49 ? 765 HOH B O 1 HETATM 7458 O O . HOH LA 8 . ? 50.562 -41.995 26.365 1.00 35.36 ? 766 HOH B O 1 HETATM 7459 O O . HOH LA 8 . ? 61.372 -25.898 14.833 1.00 39.15 ? 767 HOH B O 1 HETATM 7460 O O . HOH LA 8 . ? 22.008 -43.157 15.019 1.00 32.30 ? 768 HOH B O 1 HETATM 7461 O O . HOH LA 8 . ? 22.023 -37.420 -2.278 1.00 41.77 ? 769 HOH B O 1 HETATM 7462 O O . HOH LA 8 . ? 41.457 -44.553 31.953 1.00 37.29 ? 770 HOH B O 1 HETATM 7463 O O . HOH LA 8 . ? 33.404 -20.242 8.347 1.00 31.73 ? 771 HOH B O 1 HETATM 7464 O O . HOH LA 8 . ? 42.027 -30.898 4.069 1.00 34.25 ? 772 HOH B O 1 HETATM 7465 O O . HOH LA 8 . ? 10.176 -29.193 40.648 1.00 51.49 ? 773 HOH B O 1 HETATM 7466 O O . HOH LA 8 . ? 11.355 -15.941 23.478 1.00 38.92 ? 774 HOH B O 1 HETATM 7467 O O . HOH LA 8 . ? 40.057 -23.951 33.106 1.00 50.97 ? 775 HOH B O 1 HETATM 7468 O O . HOH LA 8 . ? 13.022 -13.734 18.429 1.00 47.41 ? 776 HOH B O 1 HETATM 7469 O O . HOH LA 8 . ? 22.107 -16.850 23.479 1.00 43.49 ? 777 HOH B O 1 HETATM 7470 O O . HOH LA 8 . ? 32.056 -47.811 15.084 1.00 33.73 ? 778 HOH B O 1 HETATM 7471 O O . HOH LA 8 . ? 30.502 -48.849 28.289 1.00 39.38 ? 779 HOH B O 1 HETATM 7472 O O . HOH LA 8 . ? 45.252 -51.020 12.704 1.00 48.98 ? 780 HOH B O 1 HETATM 7473 O O . HOH LA 8 . ? 23.102 -38.154 0.928 1.00 45.93 ? 781 HOH B O 1 HETATM 7474 O O . HOH LA 8 . ? 43.499 -51.786 20.481 1.00 39.75 ? 782 HOH B O 1 HETATM 7475 O O . HOH LA 8 . ? 54.904 -32.672 28.411 1.00 40.75 ? 783 HOH B O 1 HETATM 7476 O O . HOH LA 8 . ? 52.901 -32.228 8.470 1.00 35.37 ? 784 HOH B O 1 HETATM 7477 O O . HOH LA 8 . ? 26.219 -47.200 30.839 1.00 31.99 ? 785 HOH B O 1 HETATM 7478 O O . HOH LA 8 . ? 45.735 -48.616 20.697 1.00 42.15 ? 786 HOH B O 1 HETATM 7479 O O . HOH LA 8 . ? 45.384 -21.652 19.872 1.00 40.92 ? 787 HOH B O 1 HETATM 7480 O O . HOH LA 8 . ? 46.177 -21.971 24.778 1.00 48.89 ? 788 HOH B O 1 HETATM 7481 O O . HOH LA 8 . ? 44.537 -24.691 4.262 1.00 30.54 ? 789 HOH B O 1 HETATM 7482 O O . HOH LA 8 . ? 26.961 -46.526 17.289 1.00 37.51 ? 790 HOH B O 1 HETATM 7483 O O . HOH LA 8 . ? 29.805 -43.204 10.554 1.00 36.52 ? 791 HOH B O 1 HETATM 7484 O O . HOH LA 8 . ? 47.075 -46.818 2.663 1.00 49.96 ? 792 HOH B O 1 HETATM 7485 O O . HOH LA 8 . ? 19.223 -53.552 36.076 1.00 39.35 ? 793 HOH B O 1 HETATM 7486 O O . HOH LA 8 . ? 12.507 -21.023 10.005 1.00 39.10 ? 794 HOH B O 1 HETATM 7487 O O . HOH LA 8 . ? 37.118 -50.710 14.039 1.00 41.09 ? 795 HOH B O 1 HETATM 7488 O O . HOH LA 8 . ? 35.102 -21.036 1.699 1.00 39.48 ? 796 HOH B O 1 HETATM 7489 O O . HOH LA 8 . ? 62.315 -49.784 18.487 1.00 58.32 ? 797 HOH B O 1 HETATM 7490 O O . HOH LA 8 . ? 14.965 -43.061 11.876 1.00 43.63 ? 798 HOH B O 1 HETATM 7491 O O . HOH LA 8 . ? 13.376 -22.669 45.675 1.00 74.59 ? 799 HOH B O 1 HETATM 7492 O O . HOH LA 8 . ? 16.727 -54.155 35.331 1.00 52.58 ? 800 HOH B O 1 HETATM 7493 O O . HOH LA 8 . ? 24.785 -17.742 7.926 1.00 34.31 ? 801 HOH B O 1 HETATM 7494 O O . HOH LA 8 . ? 17.964 -50.277 35.833 1.00 31.89 ? 802 HOH B O 1 HETATM 7495 O O . HOH LA 8 . ? 6.196 -18.252 43.048 1.00 60.15 ? 803 HOH B O 1 HETATM 7496 O O . HOH LA 8 . ? 41.885 -37.507 2.608 1.00 47.93 ? 804 HOH B O 1 HETATM 7497 O O . HOH LA 8 . ? -1.766 -30.959 6.894 1.00 89.20 ? 805 HOH B O 1 HETATM 7498 O O . HOH LA 8 . ? 21.291 -43.861 17.702 1.00 32.66 ? 806 HOH B O 1 HETATM 7499 O O . HOH LA 8 . ? 31.990 -44.522 33.493 1.00 31.92 ? 807 HOH B O 1 HETATM 7500 O O . HOH LA 8 . ? 46.950 -35.685 32.961 1.00 36.76 ? 808 HOH B O 1 HETATM 7501 O O . HOH LA 8 . ? 54.640 -23.620 6.026 1.00 33.34 ? 809 HOH B O 1 HETATM 7502 O O . HOH LA 8 . ? 34.199 -45.724 31.102 1.00 38.51 ? 810 HOH B O 1 HETATM 7503 O O . HOH LA 8 . ? 6.632 -20.462 10.581 1.00 65.55 ? 811 HOH B O 1 HETATM 7504 O O . HOH LA 8 . ? 5.356 -35.511 5.447 1.00 48.93 ? 812 HOH B O 1 HETATM 7505 O O . HOH LA 8 . ? 8.502 -15.850 50.789 1.00 70.84 ? 813 HOH B O 1 HETATM 7506 O O . HOH LA 8 . ? 5.154 -44.552 31.299 1.00 44.40 ? 814 HOH B O 1 HETATM 7507 O O . HOH LA 8 . ? 36.112 -49.992 25.556 1.00 41.10 ? 815 HOH B O 1 HETATM 7508 O O . HOH LA 8 . ? 51.313 -30.556 7.689 1.00 33.31 ? 816 HOH B O 1 HETATM 7509 O O . HOH LA 8 . ? 29.719 -43.813 6.816 1.00 55.62 ? 817 HOH B O 1 HETATM 7510 O O . HOH LA 8 . ? 42.411 -19.289 6.059 1.00 48.35 ? 818 HOH B O 1 HETATM 7511 O O . HOH LA 8 . ? 44.645 -30.542 4.106 1.00 48.22 ? 819 HOH B O 1 HETATM 7512 O O . HOH LA 8 . ? 51.291 -42.373 23.578 1.00 39.07 ? 820 HOH B O 1 HETATM 7513 O O . HOH LA 8 . ? 32.571 -44.198 10.470 1.00 39.90 ? 821 HOH B O 1 HETATM 7514 O O . HOH LA 8 . ? 6.865 -43.746 34.757 1.00 36.91 ? 822 HOH B O 1 HETATM 7515 O O . HOH LA 8 . ? 21.351 -13.073 8.530 1.00 35.53 ? 823 HOH B O 1 HETATM 7516 O O . HOH LA 8 . ? 24.907 -28.002 -0.520 1.00 62.33 ? 824 HOH B O 1 HETATM 7517 O O . HOH LA 8 . ? 21.405 -23.961 41.970 1.00 43.42 ? 825 HOH B O 1 HETATM 7518 O O . HOH LA 8 . ? -3.721 -34.862 32.865 1.00 67.44 ? 826 HOH B O 1 HETATM 7519 O O . HOH LA 8 . ? 7.083 -18.095 21.684 1.00 51.97 ? 827 HOH B O 1 HETATM 7520 O O . HOH LA 8 . ? 51.602 -59.635 12.699 1.00 86.29 ? 828 HOH B O 1 HETATM 7521 O O . HOH LA 8 . ? 9.956 -38.307 3.263 1.00 53.19 ? 829 HOH B O 1 HETATM 7522 O O . HOH LA 8 . ? 41.055 -45.516 29.328 1.00 37.28 ? 830 HOH B O 1 HETATM 7523 O O . HOH LA 8 . ? -0.363 -29.478 20.426 1.00 57.82 ? 831 HOH B O 1 HETATM 7524 O O . HOH LA 8 . ? 37.392 -52.782 18.441 1.00 45.48 ? 832 HOH B O 1 HETATM 7525 O O . HOH LA 8 . ? 47.920 -22.805 4.817 1.00 35.23 ? 833 HOH B O 1 HETATM 7526 O O . HOH LA 8 . ? 0.750 -36.184 12.760 1.00 50.82 ? 834 HOH B O 1 HETATM 7527 O O . HOH LA 8 . ? 3.007 -43.056 19.707 1.00 54.70 ? 835 HOH B O 1 HETATM 7528 O O . HOH LA 8 . ? 41.183 -21.722 1.919 1.00 45.78 ? 836 HOH B O 1 HETATM 7529 O O . HOH LA 8 . ? 35.615 -22.168 34.732 1.00 40.43 ? 837 HOH B O 1 HETATM 7530 O O . HOH LA 8 . ? 19.819 -23.595 37.870 1.00 43.70 ? 838 HOH B O 1 HETATM 7531 O O . HOH LA 8 . ? 13.021 -18.579 44.210 1.00 67.04 ? 839 HOH B O 1 HETATM 7532 O O . HOH LA 8 . ? 36.021 -46.597 27.193 1.00 36.19 ? 840 HOH B O 1 HETATM 7533 O O . HOH LA 8 . ? 10.256 -36.216 42.756 1.00 51.81 ? 841 HOH B O 1 HETATM 7534 O O . HOH LA 8 . ? 58.126 -21.531 10.024 1.00 45.76 ? 842 HOH B O 1 HETATM 7535 O O . HOH LA 8 . ? 33.852 -15.858 23.537 1.00 33.71 ? 843 HOH B O 1 HETATM 7536 O O . HOH LA 8 . ? 24.621 -40.844 45.492 1.00 36.93 ? 844 HOH B O 1 HETATM 7537 O O . HOH LA 8 . ? 40.427 -19.205 26.452 1.00 34.63 ? 845 HOH B O 1 HETATM 7538 O O . HOH LA 8 . ? 18.838 -15.453 5.797 1.00 47.68 ? 846 HOH B O 1 HETATM 7539 O O . HOH LA 8 . ? 54.200 -43.312 30.004 1.00 70.13 ? 847 HOH B O 1 HETATM 7540 O O . HOH LA 8 . ? 40.160 -26.638 0.752 1.00 56.94 ? 848 HOH B O 1 HETATM 7541 O O . HOH LA 8 . ? 50.103 -33.337 0.380 1.00 56.94 ? 849 HOH B O 1 HETATM 7542 O O . HOH LA 8 . ? 40.083 -19.094 29.128 1.00 47.23 ? 850 HOH B O 1 HETATM 7543 O O . HOH LA 8 . ? -3.856 -33.910 26.552 1.00 62.90 ? 851 HOH B O 1 HETATM 7544 O O . HOH LA 8 . ? 25.729 -35.526 42.694 1.00 50.99 ? 852 HOH B O 1 HETATM 7545 O O . HOH LA 8 . ? 50.485 -34.296 4.897 1.00 41.65 ? 853 HOH B O 1 HETATM 7546 O O . HOH LA 8 . ? 31.834 -38.832 43.328 1.00 53.37 ? 854 HOH B O 1 HETATM 7547 O O . HOH LA 8 . ? 21.470 -53.538 22.719 1.00 64.52 ? 855 HOH B O 1 HETATM 7548 O O . HOH LA 8 . ? 32.897 -17.941 25.868 1.00 45.47 ? 856 HOH B O 1 HETATM 7549 O O . HOH LA 8 . ? 25.029 -15.095 7.164 1.00 36.28 ? 857 HOH B O 1 HETATM 7550 O O . HOH LA 8 . ? 33.091 -46.219 11.863 1.00 39.66 ? 858 HOH B O 1 HETATM 7551 O O . HOH LA 8 . ? 24.635 -17.729 25.686 1.00 32.45 ? 859 HOH B O 1 HETATM 7552 O O . HOH LA 8 . ? 20.460 -17.045 25.535 1.00 41.58 ? 860 HOH B O 1 HETATM 7553 O O . HOH LA 8 . ? 37.733 -46.049 31.709 1.00 33.58 ? 861 HOH B O 1 HETATM 7554 O O . HOH LA 8 . ? 47.144 -46.650 21.690 1.00 40.51 ? 862 HOH B O 1 HETATM 7555 O O . HOH LA 8 . ? 22.410 -21.843 31.533 1.00 28.05 ? 863 HOH B O 1 HETATM 7556 O O . HOH LA 8 . ? 31.750 -14.791 16.462 1.00 33.15 ? 864 HOH B O 1 HETATM 7557 O O . HOH LA 8 . ? 52.208 -17.156 22.602 1.00 40.01 ? 865 HOH B O 1 HETATM 7558 O O . HOH LA 8 . ? 29.819 -51.236 22.424 1.00 36.07 ? 866 HOH B O 1 HETATM 7559 O O . HOH LA 8 . ? 36.006 -34.813 3.559 1.00 29.84 ? 867 HOH B O 1 HETATM 7560 O O . HOH LA 8 . ? 33.005 -37.805 2.873 1.00 32.60 ? 868 HOH B O 1 HETATM 7561 O O . HOH LA 8 . ? 6.681 -20.069 30.276 1.00 42.39 ? 869 HOH B O 1 HETATM 7562 O O . HOH LA 8 . ? 50.554 -54.208 8.066 1.00 95.09 ? 870 HOH B O 1 HETATM 7563 O O . HOH LA 8 . ? 30.366 -19.718 5.393 1.00 34.21 ? 871 HOH B O 1 HETATM 7564 O O . HOH LA 8 . ? 20.460 -25.837 0.290 1.00 49.47 ? 872 HOH B O 1 HETATM 7565 O O . HOH LA 8 . ? 20.295 -38.470 43.061 1.00 40.04 ? 873 HOH B O 1 HETATM 7566 O O . HOH LA 8 . ? 33.809 -20.076 11.241 1.00 37.80 ? 874 HOH B O 1 HETATM 7567 O O . HOH LA 8 . ? 18.116 -49.722 22.004 1.00 47.23 ? 875 HOH B O 1 HETATM 7568 O O . HOH LA 8 . ? 58.878 -28.231 20.401 1.00 37.85 ? 876 HOH B O 1 HETATM 7569 O O . HOH LA 8 . ? 44.009 -44.250 28.062 1.00 32.96 ? 877 HOH B O 1 HETATM 7570 O O . HOH LA 8 . ? 18.753 -14.242 11.462 1.00 34.58 ? 878 HOH B O 1 HETATM 7571 O O . HOH LA 8 . ? 2.347 -38.822 35.900 1.00 40.86 ? 879 HOH B O 1 HETATM 7572 O O . HOH LA 8 . ? 38.547 -19.881 5.011 1.00 43.50 ? 880 HOH B O 1 HETATM 7573 O O . HOH LA 8 . ? 30.170 -46.731 33.809 1.00 44.10 ? 881 HOH B O 1 HETATM 7574 O O . HOH LA 8 . ? 25.689 -42.916 12.795 1.00 47.15 ? 882 HOH B O 1 HETATM 7575 O O . HOH LA 8 . ? 23.990 -23.794 38.942 1.00 45.70 ? 883 HOH B O 1 HETATM 7576 O O . HOH LA 8 . ? 10.463 -25.432 3.559 1.00 51.20 ? 884 HOH B O 1 HETATM 7577 O O . HOH LA 8 . ? 12.736 -46.371 18.919 1.00 46.05 ? 885 HOH B O 1 HETATM 7578 O O . HOH LA 8 . ? 20.994 -15.690 9.098 1.00 34.88 ? 886 HOH B O 1 HETATM 7579 O O . HOH LA 8 . ? 28.546 -43.985 13.088 1.00 36.02 ? 887 HOH B O 1 HETATM 7580 O O . HOH LA 8 . ? 39.101 -18.320 0.549 1.00 38.65 ? 888 HOH B O 1 HETATM 7581 O O . HOH LA 8 . ? 31.527 -23.524 -0.975 1.00 38.24 ? 889 HOH B O 1 HETATM 7582 O O . HOH LA 8 . ? 59.297 -21.147 20.905 1.00 45.90 ? 890 HOH B O 1 HETATM 7583 O O . HOH LA 8 . ? 28.745 -19.749 3.643 1.00 40.47 ? 891 HOH B O 1 HETATM 7584 O O . HOH LA 8 . ? 14.892 -27.767 46.739 1.00 50.76 ? 892 HOH B O 1 HETATM 7585 O O . HOH LA 8 . ? 19.134 -20.662 2.482 1.00 53.56 ? 893 HOH B O 1 HETATM 7586 O O . HOH LA 8 . ? 24.828 -54.006 28.419 1.00 48.77 ? 894 HOH B O 1 HETATM 7587 O O . HOH LA 8 . ? 40.882 -32.204 38.467 1.00 39.55 ? 895 HOH B O 1 HETATM 7588 O O . HOH LA 8 . ? 41.878 -34.322 37.373 1.00 39.47 ? 896 HOH B O 1 HETATM 7589 O O . HOH LA 8 . ? 34.927 -26.096 37.304 1.00 40.62 ? 897 HOH B O 1 HETATM 7590 O O . HOH LA 8 . ? 50.526 -32.901 28.914 1.00 49.54 ? 898 HOH B O 1 HETATM 7591 O O . HOH LA 8 . ? 40.250 -40.670 38.119 1.00 46.55 ? 899 HOH B O 1 HETATM 7592 O O . HOH LA 8 . ? 28.416 -24.788 37.538 1.00 43.10 ? 900 HOH B O 1 HETATM 7593 O O . HOH LA 8 . ? 37.578 -20.264 1.473 1.00 52.99 ? 901 HOH B O 1 HETATM 7594 O O . HOH LA 8 . ? 65.451 -40.795 12.439 1.00 43.68 ? 902 HOH B O 1 HETATM 7595 O O . HOH LA 8 . ? 49.376 -18.889 22.812 1.00 47.53 ? 903 HOH B O 1 HETATM 7596 O O . HOH LA 8 . ? -6.220 -27.537 26.418 1.00 67.70 ? 904 HOH B O 1 HETATM 7597 O O . HOH LA 8 . ? 58.658 -24.826 5.507 1.00 42.45 ? 905 HOH B O 1 HETATM 7598 O O . HOH LA 8 . ? 45.340 -40.543 36.032 1.00 51.56 ? 906 HOH B O 1 HETATM 7599 O O . HOH LA 8 . ? 42.377 -26.424 2.316 1.00 43.25 ? 907 HOH B O 1 HETATM 7600 O O . HOH LA 8 . ? 20.845 -51.680 34.802 1.00 47.97 ? 908 HOH B O 1 HETATM 7601 O O . HOH LA 8 . ? 55.836 -49.043 19.670 1.00 59.51 ? 909 HOH B O 1 HETATM 7602 O O . HOH LA 8 . ? 27.511 -47.158 33.516 1.00 41.54 ? 910 HOH B O 1 HETATM 7603 O O . HOH LA 8 . ? 48.197 -54.921 16.548 1.00 59.36 ? 911 HOH B O 1 HETATM 7604 O O . HOH LA 8 . ? 46.353 -26.193 29.437 1.00 65.71 ? 912 HOH B O 1 HETATM 7605 O O . HOH LA 8 . ? 1.665 -20.885 11.254 1.00 59.48 ? 913 HOH B O 1 HETATM 7606 O O . HOH LA 8 . ? 0.374 -37.407 20.289 1.00 50.27 ? 914 HOH B O 1 HETATM 7607 O O . HOH LA 8 . ? 44.039 -55.051 11.929 1.00 74.61 ? 915 HOH B O 1 HETATM 7608 O O . HOH LA 8 . ? 7.916 -41.977 9.258 1.00 46.40 ? 916 HOH B O 1 HETATM 7609 O O . HOH LA 8 . ? 4.609 -43.006 26.702 1.00 54.85 ? 917 HOH B O 1 HETATM 7610 O O . HOH LA 8 . ? 59.624 -49.083 17.182 1.00 48.32 ? 918 HOH B O 1 HETATM 7611 O O . HOH LA 8 . ? 58.027 -47.450 25.909 1.00 63.87 ? 919 HOH B O 1 HETATM 7612 O O . HOH LA 8 . ? 31.616 -43.171 35.716 1.00 45.43 ? 920 HOH B O 1 HETATM 7613 O O . HOH LA 8 . ? 42.704 -35.800 39.563 1.00 41.30 ? 921 HOH B O 1 HETATM 7614 O O . HOH LA 8 . ? 33.742 -40.103 1.257 1.00 39.50 ? 922 HOH B O 1 HETATM 7615 O O . HOH LA 8 . ? 36.427 -40.044 0.434 1.00 39.83 ? 923 HOH B O 1 HETATM 7616 O O . HOH LA 8 . ? 6.713 -30.132 40.790 1.00 46.89 ? 924 HOH B O 1 HETATM 7617 O O . HOH LA 8 . ? 31.186 -51.768 24.723 1.00 48.00 ? 925 HOH B O 1 HETATM 7618 O O . HOH LA 8 . ? 31.838 -50.879 27.215 1.00 44.77 ? 926 HOH B O 1 HETATM 7619 O O . HOH LA 8 . ? 48.669 -37.680 29.735 1.00 42.69 ? 927 HOH B O 1 HETATM 7620 O O . HOH LA 8 . ? 10.050 -44.485 15.479 1.00 53.12 ? 928 HOH B O 1 HETATM 7621 O O . HOH LA 8 . ? 1.650 -34.718 35.388 1.00 47.52 ? 929 HOH B O 1 HETATM 7622 O O . HOH LA 8 . ? 0.861 -27.338 16.638 1.00 48.24 ? 930 HOH B O 1 HETATM 7623 O O . HOH LA 8 . ? 62.894 -41.540 20.523 1.00 48.08 ? 931 HOH B O 1 HETATM 7624 O O . HOH LA 8 . ? 44.991 -29.862 36.636 1.00 46.26 ? 932 HOH B O 1 HETATM 7625 O O . HOH LA 8 . ? 33.756 -51.677 22.753 1.00 45.33 ? 933 HOH B O 1 HETATM 7626 O O . HOH LA 8 . ? 31.254 -52.712 18.151 1.00 48.35 ? 934 HOH B O 1 HETATM 7627 O O . HOH LA 8 . ? 10.053 -27.558 4.589 1.00 63.34 ? 935 HOH B O 1 HETATM 7628 O O . HOH LA 8 . ? 14.312 -28.406 1.874 1.00 43.70 ? 936 HOH B O 1 HETATM 7629 O O . HOH LA 8 . ? 28.668 -34.464 0.499 1.00 51.48 ? 937 HOH B O 1 HETATM 7630 O O . HOH LA 8 . ? 25.464 -48.683 27.381 1.00 45.55 ? 938 HOH B O 1 HETATM 7631 O O . HOH LA 8 . ? 16.679 -54.154 26.151 1.00 50.82 ? 939 HOH B O 1 HETATM 7632 O O . HOH LA 8 . ? 7.850 -46.198 20.749 1.00 42.53 ? 940 HOH B O 1 HETATM 7633 O O . HOH LA 8 . ? 6.306 -23.514 33.578 1.00 48.60 ? 941 HOH B O 1 HETATM 7634 O O . HOH LA 8 . ? 0.750 -38.763 30.232 1.00 56.15 ? 942 HOH B O 1 HETATM 7635 O O . HOH LA 8 . ? 6.922 -34.855 42.392 1.00 49.94 ? 943 HOH B O 1 HETATM 7636 O O . HOH LA 8 . ? 46.327 -33.759 0.059 1.00 49.51 ? 944 HOH B O 1 HETATM 7637 O O . HOH LA 8 . ? 55.923 -57.442 9.614 1.00 72.31 ? 945 HOH B O 1 HETATM 7638 O O . HOH LA 8 . ? 2.720 -37.364 9.343 1.00 57.67 ? 946 HOH B O 1 HETATM 7639 O O . HOH LA 8 . ? 13.245 -44.197 10.539 1.00 53.34 ? 947 HOH B O 1 HETATM 7640 O O . HOH LA 8 . ? 46.528 -19.752 21.377 1.00 52.96 ? 948 HOH B O 1 HETATM 7641 O O . HOH LA 8 . ? 20.830 -39.185 -0.407 1.00 55.71 ? 949 HOH B O 1 HETATM 7642 O O . HOH LA 8 . ? 58.106 -34.798 21.417 1.00 50.05 ? 950 HOH B O 1 HETATM 7643 O O . HOH LA 8 . ? 46.771 -51.601 9.734 1.00 86.68 ? 951 HOH B O 1 HETATM 7644 O O . HOH LA 8 . ? 22.013 -43.684 5.581 1.00 51.75 ? 952 HOH B O 1 HETATM 7645 O O . HOH LA 8 . ? 49.393 -14.929 21.747 1.00 41.29 ? 953 HOH B O 1 HETATM 7646 O O . HOH LA 8 . ? 35.402 -29.828 -1.906 1.00 55.03 ? 954 HOH B O 1 HETATM 7647 O O . HOH LA 8 . ? 21.322 -21.444 36.527 1.00 49.13 ? 955 HOH B O 1 HETATM 7648 O O . HOH LA 8 . ? 20.696 -44.459 13.096 1.00 43.02 ? 956 HOH B O 1 HETATM 7649 O O . HOH LA 8 . ? 22.371 -37.763 43.757 1.00 43.53 ? 957 HOH B O 1 HETATM 7650 O O . HOH LA 8 . ? 52.903 -25.016 26.122 1.00 64.06 ? 958 HOH B O 1 HETATM 7651 O O . HOH LA 8 . ? 7.256 -32.020 43.627 1.00 57.62 ? 959 HOH B O 1 HETATM 7652 O O . HOH LA 8 . ? 62.937 -46.016 9.939 1.00 66.77 ? 960 HOH B O 1 HETATM 7653 O O . HOH LA 8 . ? 25.579 -49.994 18.782 1.00 58.32 ? 961 HOH B O 1 HETATM 7654 O O . HOH LA 8 . ? -2.590 -31.371 23.416 1.00 60.31 ? 962 HOH B O 1 HETATM 7655 O O . HOH LA 8 . ? 40.560 -31.185 1.721 1.00 52.00 ? 963 HOH B O 1 HETATM 7656 O O . HOH LA 8 . ? 30.087 -49.218 16.118 1.00 47.35 ? 964 HOH B O 1 HETATM 7657 O O . HOH LA 8 . ? 19.973 -17.688 6.726 1.00 48.22 ? 965 HOH B O 1 HETATM 7658 O O . HOH LA 8 . ? 21.042 -47.628 18.489 1.00 54.43 ? 966 HOH B O 1 HETATM 7659 O O . HOH LA 8 . ? 38.257 -32.269 41.138 1.00 57.88 ? 967 HOH B O 1 HETATM 7660 O O . HOH LA 8 . ? -0.294 -34.346 16.354 1.00 50.72 ? 968 HOH B O 1 HETATM 7661 O O . HOH LA 8 . ? 52.802 -32.501 29.858 1.00 75.86 ? 969 HOH B O 1 HETATM 7662 O O . HOH LA 8 . ? 52.265 -40.381 27.433 1.00 46.03 ? 970 HOH B O 1 HETATM 7663 O O . HOH LA 8 . ? 34.079 -27.469 41.723 1.00 47.29 ? 971 HOH B O 1 HETATM 7664 O O . HOH LA 8 . ? 33.359 -42.490 2.758 1.00 43.45 ? 972 HOH B O 1 HETATM 7665 O O . HOH LA 8 . ? 50.610 -24.706 24.704 1.00 41.55 ? 973 HOH B O 1 HETATM 7666 O O . HOH LA 8 . ? 20.189 -12.570 6.224 1.00 50.91 ? 974 HOH B O 1 HETATM 7667 O O . HOH LA 8 . ? 6.156 -27.540 41.019 1.00 66.68 ? 975 HOH B O 1 HETATM 7668 O O . HOH LA 8 . ? -2.858 -35.725 28.324 1.00 57.49 ? 976 HOH B O 1 HETATM 7669 O O . HOH LA 8 . ? 41.910 -19.570 3.632 1.00 55.80 ? 977 HOH B O 1 HETATM 7670 O O . HOH LA 8 . ? 45.578 -38.072 38.933 1.00 62.85 ? 978 HOH B O 1 HETATM 7671 O O . HOH LA 8 . ? 45.205 -42.727 31.472 1.00 50.83 ? 979 HOH B O 1 HETATM 7672 O O . HOH LA 8 . ? 4.857 -43.266 36.543 1.00 49.19 ? 980 HOH B O 1 HETATM 7673 O O . HOH LA 8 . ? -10.632 -28.008 28.887 1.00 67.45 ? 981 HOH B O 1 HETATM 7674 O O . HOH LA 8 . ? 15.727 -21.153 2.831 1.00 55.63 ? 982 HOH B O 1 HETATM 7675 O O . HOH LA 8 . ? 9.325 -39.830 42.678 1.00 61.32 ? 983 HOH B O 1 HETATM 7676 O O . HOH LA 8 . ? -7.497 -27.104 32.966 1.00 67.64 ? 984 HOH B O 1 HETATM 7677 O O . HOH LA 8 . ? 38.692 -51.261 25.558 1.00 51.84 ? 985 HOH B O 1 HETATM 7678 O O . HOH LA 8 . ? 43.212 -23.262 2.237 1.00 43.21 ? 986 HOH B O 1 HETATM 7679 O O . HOH LA 8 . ? 51.010 -48.401 19.614 1.00 52.43 ? 987 HOH B O 1 HETATM 7680 O O . HOH LA 8 . ? 3.854 -20.938 27.300 1.00 71.27 ? 988 HOH B O 1 HETATM 7681 O O . HOH LA 8 . ? 36.655 -43.036 37.096 1.00 49.92 ? 989 HOH B O 1 HETATM 7682 O O . HOH LA 8 . ? 37.994 -19.729 30.670 1.00 44.49 ? 990 HOH B O 1 HETATM 7683 O O . HOH LA 8 . ? 16.151 -29.869 -0.469 1.00 53.01 ? 991 HOH B O 1 HETATM 7684 O O . HOH LA 8 . ? 39.083 -34.762 42.384 1.00 51.43 ? 992 HOH B O 1 HETATM 7685 O O . HOH LA 8 . ? 37.022 -22.068 5.154 1.00 32.79 ? 993 HOH B O 1 HETATM 7686 O O . HOH LA 8 . ? 17.984 -17.833 31.971 1.00 49.19 ? 994 HOH B O 1 HETATM 7687 O O . HOH LA 8 . ? -0.531 -27.645 33.216 1.00 59.35 ? 995 HOH B O 1 HETATM 7688 O O . HOH LA 8 . ? 7.518 -25.276 41.267 1.00 65.18 ? 996 HOH B O 1 HETATM 7689 O O . HOH LA 8 . ? -4.665 -30.377 33.930 1.00 81.70 ? 997 HOH B O 1 HETATM 7690 O O . HOH LA 8 . ? 5.690 -38.347 39.445 1.00 47.58 ? 998 HOH B O 1 HETATM 7691 O O . HOH LA 8 . ? 27.384 -35.906 44.721 1.00 53.65 ? 999 HOH B O 1 HETATM 7692 O O . HOH LA 8 . ? 16.290 -41.327 1.650 1.00 54.97 ? 1000 HOH B O 1 HETATM 7693 O O . HOH LA 8 . ? 29.088 -27.468 -0.139 1.00 48.73 ? 1001 HOH B O 1 HETATM 7694 O O . HOH LA 8 . ? 20.348 -18.176 32.542 1.00 61.84 ? 1002 HOH B O 1 HETATM 7695 O O . HOH LA 8 . ? 32.567 -33.071 1.691 1.00 46.88 ? 1003 HOH B O 1 HETATM 7696 O O . HOH LA 8 . ? 7.474 -9.956 14.148 1.00 65.03 ? 1004 HOH B O 1 HETATM 7697 O O . HOH LA 8 . ? 62.802 -34.415 12.655 1.00 53.95 ? 1005 HOH B O 1 HETATM 7698 O O . HOH LA 8 . ? -0.507 -37.422 32.909 1.00 59.54 ? 1006 HOH B O 1 HETATM 7699 O O . HOH LA 8 . ? 59.550 -28.467 25.979 1.00 49.56 ? 1007 HOH B O 1 HETATM 7700 O O . HOH LA 8 . ? 51.172 -45.114 23.764 1.00 48.16 ? 1008 HOH B O 1 HETATM 7701 O O . HOH LA 8 . ? 24.681 -44.392 10.734 1.00 44.44 ? 1009 HOH B O 1 HETATM 7702 O O . HOH LA 8 . ? 3.249 -40.630 16.750 1.00 47.18 ? 1010 HOH B O 1 HETATM 7703 O O . HOH LA 8 . ? 35.263 -38.363 39.668 1.00 42.33 ? 1011 HOH B O 1 HETATM 7704 O O . HOH LA 8 . ? 36.602 -24.642 -1.262 1.00 47.62 ? 1012 HOH B O 1 HETATM 7705 O O . HOH LA 8 . ? 48.364 -35.126 -1.024 1.00 80.64 ? 1013 HOH B O 1 HETATM 7706 O O . HOH LA 8 . ? 32.123 -42.786 42.588 1.00 52.28 ? 1014 HOH B O 1 HETATM 7707 O O . HOH LA 8 . ? 17.111 -47.457 18.911 1.00 54.90 ? 1015 HOH B O 1 HETATM 7708 O O . HOH LA 8 . ? 63.383 -29.088 17.823 1.00 58.45 ? 1016 HOH B O 1 HETATM 7709 O O . HOH LA 8 . ? 1.238 -39.310 33.534 1.00 56.05 ? 1017 HOH B O 1 HETATM 7710 O O . HOH LA 8 . ? 44.634 -49.496 8.481 1.00 49.04 ? 1018 HOH B O 1 HETATM 7711 O O . HOH LA 8 . ? 60.603 -20.564 17.022 1.00 43.23 ? 1019 HOH B O 1 HETATM 7712 O O . HOH LA 8 . ? 9.817 -16.601 33.155 1.00 61.69 ? 1020 HOH B O 1 HETATM 7713 O O . HOH LA 8 . ? 11.540 -16.373 35.244 1.00 64.07 ? 1021 HOH B O 1 HETATM 7714 O O . HOH LA 8 . ? 43.232 -41.015 32.211 1.00 28.86 ? 1022 HOH B O 1 HETATM 7715 O O . HOH LA 8 . ? 41.388 -31.104 26.529 1.00 34.91 ? 1023 HOH B O 1 HETATM 7716 O O . HOH LA 8 . ? 45.653 -57.623 1.368 1.00 45.46 ? 1024 HOH B O 1 HETATM 7717 O O . HOH LA 8 . ? 0.337 -31.726 22.674 1.00 52.44 ? 1025 HOH B O 1 HETATM 7718 O O . HOH LA 8 . ? 0.279 -34.266 21.835 1.00 49.77 ? 1026 HOH B O 1 HETATM 7719 O O . HOH LA 8 . ? 52.016 -39.564 0.793 1.00 48.77 ? 1027 HOH B O 1 HETATM 7720 O O . HOH LA 8 . ? 25.006 -68.178 13.253 1.00 49.57 ? 1028 HOH B O 1 HETATM 7721 O O . HOH LA 8 . ? 32.721 -72.183 4.888 1.00 50.76 ? 1029 HOH B O 1 HETATM 7722 O O . HOH LA 8 . ? 16.235 -56.091 30.242 1.00 43.68 ? 1030 HOH B O 1 HETATM 7723 O O . HOH LA 8 . ? 8.743 -19.837 8.887 1.00 62.11 ? 1031 HOH B O 1 HETATM 7724 O O . HOH LA 8 . ? 12.516 -15.582 25.815 1.00 42.71 ? 1032 HOH B O 1 HETATM 7725 O O . HOH LA 8 . ? 1.661 -19.300 18.860 1.00 71.45 ? 1033 HOH B O 1 HETATM 7726 O O . HOH LA 8 . ? 56.370 -54.281 13.686 1.00 70.31 ? 1034 HOH B O 1 HETATM 7727 O O . HOH LA 8 . ? 43.784 -49.562 21.786 1.00 50.19 ? 1035 HOH B O 1 HETATM 7728 O O . HOH LA 8 . ? 56.995 -23.879 7.417 1.00 40.43 ? 1036 HOH B O 1 HETATM 7729 O O . HOH LA 8 . ? -2.251 -26.455 31.631 1.00 55.59 ? 1037 HOH B O 1 HETATM 7730 O O . HOH LA 8 . ? 34.238 -45.919 33.641 1.00 44.59 ? 1038 HOH B O 1 HETATM 7731 O O . HOH LA 8 . ? 27.416 -48.946 28.680 1.00 53.76 ? 1039 HOH B O 1 HETATM 7732 O O . HOH LA 8 . ? 2.801 -30.197 38.151 1.00 125.49 ? 1040 HOH B O 1 HETATM 7733 O O . HOH LA 8 . ? 22.165 -19.977 33.112 1.00 51.52 ? 1041 HOH B O 1 HETATM 7734 O O . HOH LA 8 . ? 47.011 -20.287 18.674 1.00 45.25 ? 1042 HOH B O 1 HETATM 7735 O O . HOH LA 8 . ? 31.393 -42.025 7.725 1.00 58.25 ? 1043 HOH B O 1 HETATM 7736 O O . HOH LA 8 . ? 28.449 -42.026 2.240 1.00 54.26 ? 1044 HOH B O 1 HETATM 7737 O O . HOH LA 8 . ? 10.474 -47.931 20.268 1.00 55.17 ? 1045 HOH B O 1 HETATM 7738 O O . HOH LA 8 . ? 51.911 -26.598 5.556 1.00 51.94 ? 1046 HOH B O 1 HETATM 7739 O O . HOH LA 8 . ? -0.277 -40.699 22.540 1.00 64.21 ? 1047 HOH B O 1 HETATM 7740 O O . HOH LA 8 . ? 42.809 -42.530 39.153 1.00 65.55 ? 1048 HOH B O 1 HETATM 7741 O O . HOH LA 8 . ? 29.374 -57.801 22.607 1.00 77.25 ? 1049 HOH B O 1 HETATM 7742 O O . HOH LA 8 . ? 25.825 -22.116 23.098 1.00 17.45 ? 1050 HOH B O 1 HETATM 7743 O O . HOH LA 8 . ? 24.455 -20.439 24.982 1.00 21.53 ? 1051 HOH B O 1 HETATM 7744 O O . HOH LA 8 . ? 27.584 -21.544 30.314 1.00 30.17 ? 1052 HOH B O 1 HETATM 7745 O O . HOH LA 8 . ? 54.158 -53.651 13.004 1.00 51.60 ? 1053 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . LEU A 1 ? 0.2507 0.1836 0.3080 -0.0163 0.0316 -0.0188 18 LEU A N 2 C CA . LEU A 1 ? 0.2482 0.1814 0.3091 -0.0197 0.0310 -0.0191 18 LEU A CA 3 C C . LEU A 1 ? 0.2607 0.1930 0.3329 -0.0186 0.0328 -0.0091 18 LEU A C 4 O O . LEU A 1 ? 0.2712 0.2082 0.3416 -0.0159 0.0313 -0.0007 18 LEU A O 5 C CB . LEU A 1 ? 0.2654 0.2063 0.3143 -0.0209 0.0260 -0.0195 18 LEU A CB 6 C CG . LEU A 1 ? 0.2777 0.2213 0.3283 -0.0239 0.0246 -0.0188 18 LEU A CG 7 C CD1 . LEU A 1 ? 0.2909 0.2297 0.3481 -0.0278 0.0268 -0.0268 18 LEU A CD1 8 C CD2 . LEU A 1 ? 0.2467 0.1981 0.2848 -0.0240 0.0198 -0.0194 18 LEU A CD2 9 N N . ASP A 2 ? 0.2936 0.2202 0.3778 -0.0208 0.0360 -0.0101 19 ASP A N 10 C CA . ASP A 2 ? 0.3010 0.2254 0.3986 -0.0197 0.0388 -0.0004 19 ASP A CA 11 C C . ASP A 2 ? 0.3021 0.2329 0.3992 -0.0211 0.0363 0.0066 19 ASP A C 12 O O . ASP A 2 ? 0.2900 0.2181 0.3978 -0.0233 0.0385 0.0091 19 ASP A O 13 C CB . ASP A 2 ? 0.3214 0.2358 0.4336 -0.0214 0.0439 -0.0049 19 ASP A CB 14 C CG . ASP A 2 ? 0.4024 0.3130 0.5303 -0.0191 0.0477 0.0053 19 ASP A CG 15 O OD1 . ASP A 2 ? 0.4478 0.3630 0.5750 -0.0154 0.0469 0.0147 19 ASP A OD1 16 O OD2 . ASP A 2 ? 0.4437 0.3469 0.5852 -0.0212 0.0516 0.0037 19 ASP A OD2 17 N N . ASN A 3 ? 0.2761 0.2155 0.3612 -0.0199 0.0321 0.0099 20 ASN A N 18 C CA . ASN A 3 ? 0.2416 0.1884 0.3243 -0.0210 0.0297 0.0157 20 ASN A CA 19 C C . ASN A 3 ? 0.2770 0.2302 0.3603 -0.0180 0.0290 0.0272 20 ASN A C 20 O O . ASN A 3 ? 0.2822 0.2434 0.3610 -0.0185 0.0267 0.0321 20 ASN A O 21 C CB . ASN A 3 ? 0.2624 0.2149 0.3313 -0.0224 0.0255 0.0097 20 ASN A CB 22 C CG . ASN A 3 ? 0.2347 0.1904 0.2917 -0.0197 0.0228 0.0082 20 ASN A CG 23 O OD1 . ASN A 3 ? 0.2454 0.2001 0.3041 -0.0169 0.0238 0.0120 20 ASN A OD1 24 N ND2 . ASN A 3 ? 0.2414 0.2012 0.2873 -0.0206 0.0194 0.0028 20 ASN A ND2 25 N N . GLY A 4 ? 0.2794 0.2299 0.3683 -0.0151 0.0310 0.0314 21 GLY A N 26 C CA . GLY A 4 ? 0.3159 0.2731 0.4067 -0.0123 0.0305 0.0428 21 GLY A CA 27 C C . GLY A 4 ? 0.3134 0.2785 0.3908 -0.0105 0.0264 0.0431 21 GLY A C 28 O O . GLY A 4 ? 0.3337 0.3050 0.4115 -0.0083 0.0256 0.0514 21 GLY A O 29 N N . LEU A 5 ? 0.2327 0.1975 0.2986 -0.0116 0.0239 0.0341 22 LEU A N 30 C CA . LEU A 5 ? 0.2295 0.2012 0.2827 -0.0104 0.0200 0.0335 22 LEU A CA 31 C C . LEU A 5 ? 0.2249 0.1938 0.2748 -0.0083 0.0199 0.0302 22 LEU A C 32 O O . LEU A 5 ? 0.2320 0.1934 0.2861 -0.0083 0.0225 0.0250 22 LEU A O 33 C CB . LEU A 5 ? 0.2382 0.2123 0.2812 -0.0125 0.0172 0.0268 22 LEU A CB 34 C CG . LEU A 5 ? 0.2231 0.2014 0.2679 -0.0145 0.0169 0.0296 22 LEU A CG 35 C CD1 . LEU A 5 ? 0.2431 0.2238 0.2781 -0.0161 0.0142 0.0224 22 LEU A CD1 36 C CD2 . LEU A 5 ? 0.2845 0.2717 0.3297 -0.0133 0.0161 0.0395 22 LEU A CD2 37 N N . LEU A 6 ? 0.2314 0.2070 0.2739 -0.0068 0.0170 0.0331 23 LEU A N 38 C CA . LEU A 6 ? 0.2275 0.2022 0.2655 -0.0052 0.0163 0.0303 23 LEU A CA 39 C C . LEU A 6 ? 0.2466 0.2159 0.2950 -0.0032 0.0200 0.0324 23 LEU A C 40 O O . LEU A 6 ? 0.2429 0.2069 0.2907 -0.0027 0.0214 0.0265 23 LEU A O 41 C CB . LEU A 6 ? 0.2348 0.2065 0.2635 -0.0064 0.0148 0.0207 23 LEU A CB 42 C CG . LEU A 6 ? 0.2471 0.2240 0.2661 -0.0078 0.0113 0.0185 23 LEU A CG 43 C CD1 . LEU A 6 ? 0.2362 0.2110 0.2466 -0.0085 0.0097 0.0104 23 LEU A CD1 44 C CD2 . LEU A 6 ? 0.2898 0.2749 0.3045 -0.0070 0.0087 0.0242 23 LEU A CD2 45 N N . GLN A 7 ? 0.2054 0.1770 0.2634 -0.0020 0.0215 0.0414 24 GLN A N 46 C CA . GLN A 7 ? 0.2307 0.1987 0.2997 0.0005 0.0249 0.0453 24 GLN A CA 47 C C . GLN A 7 ? 0.2205 0.1928 0.2853 0.0026 0.0233 0.0467 24 GLN A C 48 O O . GLN A 7 ? 0.2300 0.1991 0.3024 0.0049 0.0261 0.0478 24 GLN A O 49 C CB . GLN A 7 ? 0.2591 0.2294 0.3400 0.0013 0.0268 0.0556 24 GLN A CB 50 C CG . GLN A 7 ? 0.2990 0.2631 0.3871 -0.0007 0.0295 0.0540 24 GLN A CG 51 C CD . GLN A 7 ? 0.4321 0.3847 0.5273 -0.0009 0.0337 0.0461 24 GLN A CD 52 O OE1 . GLN A 7 ? 0.6095 0.5574 0.7002 -0.0035 0.0337 0.0368 24 GLN A OE1 53 N NE2 . GLN A 7 ? 0.4495 0.3981 0.5559 0.0017 0.0372 0.0495 24 GLN A NE2 54 N N . THR A 8 ? 0.2323 0.2119 0.2857 0.0018 0.0190 0.0463 25 THR A N 55 C CA . THR A 8 ? 0.2061 0.1889 0.2530 0.0028 0.0169 0.0448 25 THR A CA 56 C C . THR A 8 ? 0.2001 0.1821 0.2345 0.0008 0.0141 0.0363 25 THR A C 57 O O . THR A 8 ? 0.2124 0.1937 0.2427 -0.0010 0.0132 0.0332 25 THR A O 58 C CB . THR A 8 ? 0.2207 0.2141 0.2666 0.0035 0.0139 0.0531 25 THR A CB 59 O OG1 . THR A 8 ? 0.2545 0.2540 0.2933 0.0016 0.0109 0.0538 25 THR A OG1 60 C CG2 . THR A 8 ? 0.2494 0.2453 0.3083 0.0058 0.0163 0.0629 25 THR A CG2 61 N N . PRO A 9 ? 0.2132 0.1955 0.2419 0.0013 0.0129 0.0329 26 PRO A N 62 C CA . PRO A 9 ? 0.2027 0.1837 0.2208 -0.0003 0.0107 0.0254 26 PRO A CA 63 C C . PRO A 9 ? 0.1977 0.1848 0.2086 -0.0018 0.0070 0.0264 26 PRO A C 64 O O . PRO A 9 ? 0.2041 0.1980 0.2155 -0.0015 0.0054 0.0321 26 PRO A O 65 C CB . PRO A 9 ? 0.2186 0.1999 0.2335 0.0005 0.0102 0.0235 26 PRO A CB 66 C CG . PRO A 9 ? 0.1990 0.1783 0.2237 0.0026 0.0136 0.0270 26 PRO A CG 67 C CD . PRO A 9 ? 0.2182 0.2012 0.2506 0.0033 0.0139 0.0350 26 PRO A CD 68 N N . PRO A 10 ? 0.1999 0.1852 0.2044 -0.0033 0.0059 0.0207 27 PRO A N 69 C CA . PRO A 10 ? 0.2087 0.1997 0.2069 -0.0044 0.0029 0.0211 27 PRO A CA 70 C C . PRO A 10 ? 0.2009 0.1962 0.1927 -0.0043 0.0000 0.0209 27 PRO A C 71 O O . PRO A 10 ? 0.2055 0.1982 0.1953 -0.0038 -0.0001 0.0180 27 PRO A O 72 C CB . PRO A 10 ? 0.2164 0.2038 0.2102 -0.0057 0.0026 0.0148 27 PRO A CB 73 C CG . PRO A 10 ? 0.2164 0.1977 0.2103 -0.0054 0.0042 0.0101 27 PRO A CG 74 C CD . PRO A 10 ? 0.1879 0.1669 0.1902 -0.0041 0.0071 0.0136 27 PRO A CD 75 N N . MET A 11 ? 0.1958 0.1983 0.1851 -0.0048 -0.0020 0.0238 28 MET A N 76 C CA . MET A 11 ? 0.1571 0.1642 0.1405 -0.0052 -0.0049 0.0228 28 MET A CA 77 C C . MET A 11 ? 0.1623 0.1722 0.1395 -0.0063 -0.0066 0.0196 28 MET A C 78 O O . MET A 11 ? 0.1806 0.1935 0.1587 -0.0067 -0.0061 0.0216 28 MET A O 79 C CB . MET A 11 ? 0.1873 0.2020 0.1736 -0.0050 -0.0058 0.0291 28 MET A CB 80 C CG . MET A 11 ? 0.1739 0.1869 0.1677 -0.0035 -0.0039 0.0333 28 MET A CG 81 S SD . MET A 11 ? 0.2148 0.2386 0.2131 -0.0030 -0.0052 0.0421 28 MET A SD 82 C CE . MET A 11 ? 0.2176 0.2486 0.2072 -0.0050 -0.0095 0.0389 28 MET A CE 83 N N . GLY A 12 ? 0.1788 0.1877 0.1502 -0.0067 -0.0084 0.0149 29 GLY A N 84 C CA . GLY A 12 ? 0.1770 0.1884 0.1431 -0.0075 -0.0099 0.0114 29 GLY A CA 85 C C . GLY A 12 ? 0.1826 0.1908 0.1441 -0.0076 -0.0113 0.0062 29 GLY A C 86 O O . GLY A 12 ? 0.1947 0.2016 0.1563 -0.0076 -0.0120 0.0060 29 GLY A O 87 N N . TRP A 13 ? 0.2001 0.2073 0.1584 -0.0076 -0.0117 0.0024 30 TRP A N 88 C CA . TRP A 13 ? 0.1809 0.1855 0.1357 -0.0075 -0.0129 -0.0021 30 TRP A CA 89 C C . TRP A 13 ? 0.1962 0.1969 0.1504 -0.0068 -0.0123 -0.0048 30 TRP A C 90 O O . TRP A 13 ? 0.1906 0.1932 0.1456 -0.0069 -0.0115 -0.0043 30 TRP A O 91 C CB . TRP A 13 ? 0.1920 0.2020 0.1437 -0.0081 -0.0143 -0.0040 30 TRP A CB 92 C CG . TRP A 13 ? 0.1730 0.1802 0.1223 -0.0079 -0.0154 -0.0087 30 TRP A CG 93 C CD1 . TRP A 13 ? 0.2080 0.2145 0.1567 -0.0087 -0.0166 -0.0103 30 TRP A CD1 94 C CD2 . TRP A 13 ? 0.1944 0.1993 0.1424 -0.0070 -0.0152 -0.0122 30 TRP A CD2 95 N NE1 . TRP A 13 ? 0.2167 0.2197 0.1643 -0.0082 -0.0170 -0.0145 30 TRP A NE1 96 C CE2 . TRP A 13 ? 0.2163 0.2185 0.1634 -0.0070 -0.0161 -0.0156 30 TRP A CE2 97 C CE3 . TRP A 13 ? 0.2059 0.2112 0.1540 -0.0063 -0.0142 -0.0127 30 TRP A CE3 98 C CZ2 . TRP A 13 ? 0.2287 0.2284 0.1755 -0.0058 -0.0161 -0.0190 30 TRP A CZ2 99 C CZ3 . TRP A 13 ? 0.1976 0.2010 0.1450 -0.0052 -0.0144 -0.0161 30 TRP A CZ3 100 C CH2 . TRP A 13 ? 0.2072 0.2077 0.1542 -0.0048 -0.0152 -0.0190 30 TRP A CH2 101 N N . LEU A 14 ? 0.1660 0.1620 0.1191 -0.0063 -0.0126 -0.0071 31 LEU A N 102 C CA . LEU A 14 ? 0.1881 0.1814 0.1407 -0.0058 -0.0124 -0.0092 31 LEU A CA 103 C C . LEU A 14 ? 0.1998 0.1916 0.1502 -0.0050 -0.0136 -0.0118 31 LEU A C 104 O O . LEU A 14 ? 0.2136 0.2036 0.1638 -0.0051 -0.0142 -0.0117 31 LEU A O 105 C CB . LEU A 14 ? 0.2721 0.2617 0.2261 -0.0058 -0.0112 -0.0086 31 LEU A CB 106 C CG . LEU A 14 ? 0.2963 0.2844 0.2506 -0.0059 -0.0104 -0.0102 31 LEU A CG 107 C CD1 . LEU A 14 ? 0.2394 0.2245 0.1951 -0.0061 -0.0089 -0.0101 31 LEU A CD1 108 C CD2 . LEU A 14 ? 0.3507 0.3386 0.3025 -0.0052 -0.0117 -0.0124 31 LEU A CD2 109 N N . ALA A 15 ? 0.1861 0.1785 0.1358 -0.0043 -0.0139 -0.0138 32 ALA A N 110 C CA . ALA A 15 ? 0.1886 0.1797 0.1377 -0.0033 -0.0148 -0.0159 32 ALA A CA 111 C C . ALA A 15 ? 0.1959 0.1830 0.1450 -0.0027 -0.0153 -0.0155 32 ALA A C 112 O O . ALA A 15 ? 0.2110 0.1961 0.1606 -0.0021 -0.0159 -0.0164 32 ALA A O 113 C CB . ALA A 15 ? 0.1915 0.1849 0.1409 -0.0023 -0.0148 -0.0177 32 ALA A CB 114 N N . TRP A 16 ? 0.1822 0.1683 0.1311 -0.0029 -0.0148 -0.0143 33 TRP A N 115 C CA . TRP A 16 ? 0.1648 0.1492 0.1133 -0.0021 -0.0152 -0.0138 33 TRP A CA 116 C C . TRP A 16 ? 0.1768 0.1584 0.1256 -0.0020 -0.0155 -0.0126 33 TRP A C 117 O O . TRP A 16 ? 0.1768 0.1570 0.1263 -0.0009 -0.0161 -0.0122 33 TRP A O 118 C CB . TRP A 16 ? 0.1717 0.1565 0.1192 -0.0027 -0.0145 -0.0135 33 TRP A CB 119 C CG . TRP A 16 ? 0.1479 0.1327 0.0943 -0.0020 -0.0150 -0.0128 33 TRP A CG 120 C CD1 . TRP A 16 ? 0.1826 0.1663 0.1280 -0.0022 -0.0145 -0.0114 33 TRP A CD1 121 C CD2 . TRP A 16 ? 0.1650 0.1517 0.1113 -0.0008 -0.0162 -0.0127 33 TRP A CD2 122 N NE1 . TRP A 16 ? 0.1878 0.1730 0.1320 -0.0013 -0.0153 -0.0103 33 TRP A NE1 123 C CE2 . TRP A 16 ? 0.2105 0.1976 0.1557 -0.0004 -0.0164 -0.0108 33 TRP A CE2 124 C CE3 . TRP A 16 ? 0.1729 0.1618 0.1206 0.0000 -0.0169 -0.0136 33 TRP A CE3 125 C CZ2 . TRP A 16 ? 0.1981 0.1878 0.1434 0.0007 -0.0176 -0.0094 33 TRP A CZ2 126 C CZ3 . TRP A 16 ? 0.1928 0.1839 0.1411 0.0014 -0.0180 -0.0125 33 TRP A CZ3 127 C CH2 . TRP A 16 ? 0.2099 0.2014 0.1570 0.0018 -0.0184 -0.0102 33 TRP A CH2 128 N N . GLU A 17 ? 0.1893 0.1700 0.1383 -0.0030 -0.0149 -0.0115 34 GLU A N 129 C CA . GLU A 17 ? 0.1892 0.1677 0.1389 -0.0030 -0.0150 -0.0099 34 GLU A CA 130 C C . GLU A 17 ? 0.1788 0.1556 0.1303 -0.0028 -0.0160 -0.0107 34 GLU A C 131 O O . GLU A 17 ? 0.1799 0.1545 0.1327 -0.0022 -0.0162 -0.0094 34 GLU A O 132 C CB . GLU A 17 ? 0.1940 0.1726 0.1446 -0.0041 -0.0142 -0.0085 34 GLU A CB 133 C CG . GLU A 17 ? 0.2260 0.2032 0.1772 -0.0042 -0.0137 -0.0063 34 GLU A CG 134 C CD . GLU A 17 ? 0.2327 0.2079 0.1859 -0.0045 -0.0147 -0.0057 34 GLU A CD 135 O OE1 . GLU A 17 ? 0.2074 0.1827 0.1619 -0.0053 -0.0155 -0.0071 34 GLU A OE1 136 O OE2 . GLU A 17 ? 0.2138 0.1876 0.1673 -0.0039 -0.0145 -0.0040 34 GLU A OE2 137 N N . ARG A 18 ? 0.1761 0.1540 0.1280 -0.0034 -0.0164 -0.0128 35 ARG A N 138 C CA . ARG A 18 ? 0.1700 0.1462 0.1239 -0.0035 -0.0171 -0.0147 35 ARG A CA 139 C C . ARG A 18 ? 0.2091 0.1845 0.1639 -0.0018 -0.0172 -0.0167 35 ARG A C 140 O O . ARG A 18 ? 0.2051 0.1774 0.1629 -0.0014 -0.0173 -0.0176 35 ARG A O 141 C CB . ARG A 18 ? 0.1892 0.1680 0.1426 -0.0051 -0.0175 -0.0166 35 ARG A CB 142 C CG . ARG A 18 ? 0.1718 0.1497 0.1270 -0.0058 -0.0181 -0.0202 35 ARG A CG 143 C CD . ARG A 18 ? 0.1950 0.1684 0.1537 -0.0064 -0.0183 -0.0194 35 ARG A CD 144 N NE . ARG A 18 ? 0.2104 0.1820 0.1715 -0.0072 -0.0186 -0.0237 35 ARG A NE 145 C CZ . ARG A 18 ? 0.2164 0.1853 0.1796 -0.0056 -0.0181 -0.0263 35 ARG A CZ 146 N NH1 . ARG A 18 ? 0.2460 0.2142 0.2091 -0.0031 -0.0175 -0.0244 35 ARG A NH1 147 N NH2 . ARG A 18 ? 0.2709 0.2381 0.2369 -0.0066 -0.0181 -0.0310 35 ARG A NH2 148 N N . PHE A 19 ? 0.1921 0.1703 0.1454 -0.0010 -0.0169 -0.0173 36 PHE A N 149 C CA . PHE A 19 ? 0.1806 0.1590 0.1354 0.0007 -0.0168 -0.0193 36 PHE A CA 150 C C . PHE A 19 ? 0.1979 0.1769 0.1533 0.0024 -0.0170 -0.0172 36 PHE A C 151 O O . PHE A 19 ? 0.2169 0.1956 0.1748 0.0043 -0.0170 -0.0178 36 PHE A O 152 C CB . PHE A 19 ? 0.1975 0.1800 0.1510 0.0003 -0.0164 -0.0221 36 PHE A CB 153 C CG . PHE A 19 ? 0.1971 0.1802 0.1501 -0.0012 -0.0165 -0.0246 36 PHE A CG 154 C CD1 . PHE A 19 ? 0.2085 0.1896 0.1638 -0.0008 -0.0164 -0.0280 36 PHE A CD1 155 C CD2 . PHE A 19 ? 0.1761 0.1622 0.1271 -0.0031 -0.0168 -0.0234 36 PHE A CD2 156 C CE1 . PHE A 19 ? 0.2272 0.2095 0.1820 -0.0027 -0.0167 -0.0310 36 PHE A CE1 157 C CE2 . PHE A 19 ? 0.2293 0.2174 0.1798 -0.0048 -0.0173 -0.0256 36 PHE A CE2 158 C CZ . PHE A 19 ? 0.2211 0.2075 0.1732 -0.0048 -0.0173 -0.0297 36 PHE A CZ 159 N N . ARG A 20 ? 0.1996 0.1797 0.1528 0.0018 -0.0171 -0.0149 37 ARG A N 160 C CA . ARG A 20 ? 0.1749 0.1565 0.1278 0.0028 -0.0175 -0.0127 37 ARG A CA 161 C C . ARG A 20 ? 0.1988 0.1837 0.1530 0.0042 -0.0178 -0.0137 37 ARG A C 162 O O . ARG A 20 ? 0.1939 0.1812 0.1474 0.0037 -0.0174 -0.0157 37 ARG A O 163 C CB . ARG A 20 ? 0.2146 0.1936 0.1693 0.0037 -0.0178 -0.0097 37 ARG A CB 164 C CG . ARG A 20 ? 0.1996 0.1761 0.1536 0.0022 -0.0174 -0.0084 37 ARG A CG 165 C CD . ARG A 20 ? 0.1950 0.1737 0.1457 0.0012 -0.0169 -0.0071 37 ARG A CD 166 N NE . ARG A 20 ? 0.1974 0.1743 0.1478 0.0000 -0.0162 -0.0060 37 ARG A NE 167 C CZ . ARG A 20 ? 0.2127 0.1901 0.1620 -0.0002 -0.0156 -0.0035 37 ARG A CZ 168 N NH1 . ARG A 20 ? 0.2118 0.1921 0.1594 0.0004 -0.0158 -0.0019 37 ARG A NH1 169 N NH2 . ARG A 20 ? 0.2205 0.1966 0.1705 -0.0013 -0.0148 -0.0027 37 ARG A NH2 170 N N . CYS A 21 ? 0.2139 0.1994 0.1702 0.0061 -0.0184 -0.0116 38 CYS A N 171 C CA . CYS A 21 ? 0.1975 0.1870 0.1557 0.0077 -0.0188 -0.0119 38 CYS A CA 172 C C . CYS A 21 ? 0.2166 0.2040 0.1798 0.0101 -0.0184 -0.0124 38 CYS A C 173 O O . CYS A 21 ? 0.2327 0.2222 0.1994 0.0124 -0.0188 -0.0105 38 CYS A O 174 C CB . CYS A 21 ? 0.2114 0.2052 0.1689 0.0080 -0.0200 -0.0089 38 CYS A CB 175 S SG . CYS A 21 ? 0.2491 0.2498 0.2083 0.0089 -0.0208 -0.0095 38 CYS A SG 176 N N . ASN A 22 ? 0.2127 0.1964 0.1766 0.0096 -0.0174 -0.0153 39 ASN A N 177 C CA . ASN A 22 ? 0.2410 0.2220 0.2098 0.0117 -0.0166 -0.0172 39 ASN A CA 178 C C . ASN A 22 ? 0.2476 0.2328 0.2175 0.0129 -0.0158 -0.0200 39 ASN A C 179 O O . ASN A 22 ? 0.2572 0.2443 0.2243 0.0114 -0.0152 -0.0231 39 ASN A O 180 C CB . ASN A 22 ? 0.2448 0.2214 0.2135 0.0101 -0.0159 -0.0202 39 ASN A CB 181 C CG . ASN A 22 ? 0.2977 0.2706 0.2718 0.0118 -0.0148 -0.0232 39 ASN A CG 182 O OD1 . ASN A 22 ? 0.3054 0.2789 0.2841 0.0146 -0.0142 -0.0226 39 ASN A OD1 183 N ND2 . ASN A 22 ? 0.2661 0.2356 0.2403 0.0101 -0.0143 -0.0266 39 ASN A ND2 184 N N . ILE A 23 ? 0.2006 0.1880 0.1746 0.0155 -0.0159 -0.0182 40 ILE A N 185 C CA . ILE A 23 ? 0.2048 0.1970 0.1806 0.0169 -0.0150 -0.0204 40 ILE A CA 186 C C . ILE A 23 ? 0.2786 0.2685 0.2609 0.0200 -0.0134 -0.0225 40 ILE A C 187 O O . ILE A 23 ? 0.3057 0.2998 0.2908 0.0219 -0.0125 -0.0238 40 ILE A O 188 C CB . ILE A 23 ? 0.2435 0.2421 0.2193 0.0174 -0.0163 -0.0172 40 ILE A CB 189 C CG1 . ILE A 23 ? 0.3038 0.3025 0.2840 0.0199 -0.0174 -0.0126 40 ILE A CG1 190 C CG2 . ILE A 23 ? 0.2514 0.2522 0.2213 0.0140 -0.0174 -0.0167 40 ILE A CG2 191 C CD1 . ILE A 23 ? 0.4222 0.4287 0.4046 0.0211 -0.0185 -0.0100 40 ILE A CD1 192 N N . ASN A 24 ? 0.2587 0.2419 0.2439 0.0204 -0.0129 -0.0231 41 ASN A N 193 C CA . ASN A 24 ? 0.2977 0.2773 0.2903 0.0234 -0.0110 -0.0253 41 ASN A CA 194 C C . ASN A 24 ? 0.2660 0.2447 0.2573 0.0224 -0.0092 -0.0325 41 ASN A C 195 O O . ASN A 24 ? 0.3055 0.2788 0.2976 0.0211 -0.0085 -0.0357 41 ASN A O 196 C CB . ASN A 24 ? 0.3332 0.3059 0.3306 0.0242 -0.0112 -0.0222 41 ASN A CB 197 C CG . ASN A 24 ? 0.4792 0.4477 0.4863 0.0277 -0.0092 -0.0235 41 ASN A CG 198 O OD1 . ASN A 24 ? 0.4151 0.3854 0.4248 0.0294 -0.0073 -0.0281 41 ASN A OD1 199 N ND2 . ASN A 24 ? 0.4950 0.4580 0.5081 0.0289 -0.0092 -0.0194 41 ASN A ND2 200 N N . CYS A 25 ? 0.2629 0.2479 0.2523 0.0226 -0.0082 -0.0352 42 CYS A N 201 C CA . CYS A 25 ? 0.2685 0.2546 0.2555 0.0214 -0.0064 -0.0419 42 CYS A CA 202 C C . CYS A 25 ? 0.2960 0.2783 0.2900 0.0241 -0.0039 -0.0468 42 CYS A C 203 O O . CYS A 25 ? 0.3319 0.3130 0.3247 0.0228 -0.0024 -0.0531 42 CYS A O 204 C CB . CYS A 25 ? 0.3707 0.3652 0.3533 0.0206 -0.0060 -0.0427 42 CYS A CB 205 S SG . CYS A 25 ? 0.3345 0.3323 0.3094 0.0169 -0.0085 -0.0383 42 CYS A SG 206 N N . ASP A 26 ? 0.3243 0.3051 0.3262 0.0279 -0.0032 -0.0439 43 ASP A N 207 C CA . ASP A 26 ? 0.3634 0.3397 0.3739 0.0310 -0.0003 -0.0483 43 ASP A CA 208 C C . ASP A 26 ? 0.3959 0.3630 0.4089 0.0295 -0.0001 -0.0508 43 ASP A C 209 O O . ASP A 26 ? 0.4410 0.4050 0.4563 0.0293 0.0021 -0.0582 43 ASP A O 210 C CB . ASP A 26 ? 0.4041 0.3808 0.4236 0.0357 0.0001 -0.0433 43 ASP A CB 211 C CG . ASP A 26 ? 0.4420 0.4282 0.4612 0.0375 0.0006 -0.0424 43 ASP A CG 212 O OD1 . ASP A 26 ? 0.5200 0.5118 0.5331 0.0356 0.0013 -0.0466 43 ASP A OD1 213 O OD2 . ASP A 26 ? 0.6635 0.6522 0.6889 0.0408 0.0001 -0.0369 43 ASP A OD2 214 N N . GLU A 27 ? 0.3649 0.3283 0.3776 0.0283 -0.0024 -0.0448 44 GLU A N 215 C CA . GLU A 27 ? 0.4033 0.3582 0.4192 0.0267 -0.0023 -0.0461 44 GLU A CA 216 C C . GLU A 27 ? 0.4081 0.3633 0.4157 0.0218 -0.0037 -0.0490 44 GLU A C 217 O O . GLU A 27 ? 0.3808 0.3303 0.3906 0.0199 -0.0032 -0.0531 44 GLU A O 218 C CB . GLU A 27 ? 0.4733 0.4241 0.4942 0.0281 -0.0037 -0.0376 44 GLU A CB 219 C CG . GLU A 27 ? 0.7257 0.6749 0.7574 0.0331 -0.0021 -0.0341 44 GLU A CG 220 C CD . GLU A 27 ? 0.8753 0.8194 0.9136 0.0343 -0.0030 -0.0261 44 GLU A CD 221 O OE1 . GLU A 27 ? 0.9917 0.9318 1.0410 0.0381 -0.0012 -0.0239 44 GLU A OE1 222 O OE2 . GLU A 27 ? 0.9547 0.8989 0.9875 0.0315 -0.0052 -0.0218 44 GLU A OE2 223 N N . ASP A 28 ? 0.3144 0.2763 0.3132 0.0198 -0.0055 -0.0469 45 ASP A N 224 C CA . ASP A 28 ? 0.2810 0.2438 0.2726 0.0156 -0.0071 -0.0478 45 ASP A CA 225 C C . ASP A 28 ? 0.2754 0.2465 0.2591 0.0139 -0.0073 -0.0500 45 ASP A C 226 O O . ASP A 28 ? 0.2646 0.2393 0.2427 0.0122 -0.0091 -0.0459 45 ASP A O 227 C CB . ASP A 28 ? 0.3172 0.2782 0.3074 0.0147 -0.0093 -0.0404 45 ASP A CB 228 C CG . ASP A 28 ? 0.3346 0.2948 0.3202 0.0107 -0.0107 -0.0408 45 ASP A CG 229 O OD1 . ASP A 28 ? 0.3480 0.3082 0.3320 0.0085 -0.0102 -0.0466 45 ASP A OD1 230 O OD2 . ASP A 28 ? 0.3023 0.2622 0.2856 0.0098 -0.0122 -0.0353 45 ASP A OD2 231 N N . PRO A 29 ? 0.2939 0.2683 0.2776 0.0145 -0.0053 -0.0564 46 PRO A N 232 C CA . PRO A 29 ? 0.2833 0.2663 0.2604 0.0134 -0.0052 -0.0576 46 PRO A CA 233 C C . PRO A 29 ? 0.2695 0.2561 0.2392 0.0095 -0.0068 -0.0571 46 PRO A C 234 O O . PRO A 29 ? 0.2847 0.2779 0.2497 0.0087 -0.0073 -0.0548 46 PRO A O 235 C CB . PRO A 29 ? 0.3492 0.3345 0.3284 0.0147 -0.0023 -0.0653 46 PRO A CB 236 C CG . PRO A 29 ? 0.3628 0.3400 0.3481 0.0150 -0.0014 -0.0695 46 PRO A CG 237 C CD . PRO A 29 ? 0.3091 0.2794 0.2993 0.0162 -0.0028 -0.0628 46 PRO A CD 238 N N . LYS A 30 ? 0.2700 0.2526 0.2396 0.0070 -0.0078 -0.0589 47 LYS A N 239 C CA . LYS A 30 ? 0.2861 0.2726 0.2496 0.0034 -0.0094 -0.0584 47 LYS A CA 240 C C . LYS A 30 ? 0.2569 0.2428 0.2182 0.0026 -0.0113 -0.0511 47 LYS A C 241 O O . LYS A 30 ? 0.2839 0.2744 0.2405 0.0003 -0.0124 -0.0493 47 LYS A O 242 C CB . LYS A 30 ? 0.3538 0.3371 0.3183 0.0008 -0.0097 -0.0634 47 LYS A CB 243 C CG . LYS A 30 ? 0.4762 0.4629 0.4403 0.0001 -0.0080 -0.0721 47 LYS A CG 244 C CD . LYS A 30 ? 0.7856 0.7686 0.7559 0.0036 -0.0053 -0.0760 47 LYS A CD 245 C CE . LYS A 30 ? 0.9014 0.8874 0.8713 0.0027 -0.0032 -0.0859 47 LYS A CE 246 N NZ . LYS A 30 ? 0.6692 0.6546 0.6441 0.0066 0.0000 -0.0896 47 LYS A NZ 247 N N . ASN A 31 ? 0.2475 0.2280 0.2126 0.0045 -0.0117 -0.0469 48 ASN A N 248 C CA . ASN A 31 ? 0.2448 0.2242 0.2081 0.0036 -0.0133 -0.0408 48 ASN A CA 249 C C . ASN A 31 ? 0.2131 0.1941 0.1765 0.0056 -0.0134 -0.0364 48 ASN A C 250 O O . ASN A 31 ? 0.2449 0.2257 0.2063 0.0048 -0.0145 -0.0321 48 ASN A O 251 C CB . ASN A 31 ? 0.2397 0.2122 0.2068 0.0031 -0.0139 -0.0395 48 ASN A CB 252 C CG . ASN A 31 ? 0.3184 0.2898 0.2858 0.0005 -0.0140 -0.0442 48 ASN A CG 253 O OD1 . ASN A 31 ? 0.2879 0.2637 0.2509 -0.0019 -0.0148 -0.0447 48 ASN A OD1 254 N ND2 . ASN A 31 ? 0.3245 0.2904 0.2976 0.0010 -0.0131 -0.0477 48 ASN A ND2 255 N N . CYS A 32 ? 0.2610 0.2439 0.2267 0.0080 -0.0123 -0.0376 49 CYS A N 256 C CA . CYS A 32 ? 0.2204 0.2061 0.1863 0.0095 -0.0127 -0.0337 49 CYS A CA 257 C C . CYS A 32 ? 0.2109 0.2022 0.1719 0.0077 -0.0130 -0.0325 49 CYS A C 258 O O . CYS A 32 ? 0.2470 0.2417 0.2051 0.0061 -0.0125 -0.0347 49 CYS A O 259 C CB . CYS A 32 ? 0.2896 0.2764 0.2603 0.0127 -0.0114 -0.0350 49 CYS A CB 260 S SG . CYS A 32 ? 0.2831 0.2759 0.2527 0.0130 -0.0094 -0.0403 49 CYS A SG 261 N N . ILE A 33 ? 0.2215 0.2143 0.1822 0.0079 -0.0138 -0.0287 50 ILE A N 262 C CA . ILE A 33 ? 0.2080 0.2054 0.1658 0.0063 -0.0138 -0.0273 50 ILE A CA 263 C C . ILE A 33 ? 0.2069 0.2099 0.1658 0.0073 -0.0125 -0.0293 50 ILE A C 264 O O . ILE A 33 ? 0.1969 0.2016 0.1591 0.0093 -0.0124 -0.0290 50 ILE A O 265 C CB . ILE A 33 ? 0.2156 0.2132 0.1733 0.0061 -0.0149 -0.0238 50 ILE A CB 266 C CG1 . ILE A 33 ? 0.2358 0.2287 0.1922 0.0052 -0.0158 -0.0218 50 ILE A CG1 267 C CG2 . ILE A 33 ? 0.2024 0.2042 0.1585 0.0043 -0.0146 -0.0230 50 ILE A CG2 268 C CD1 . ILE A 33 ? 0.2131 0.2044 0.1671 0.0032 -0.0156 -0.0222 50 ILE A CD1 269 N N . SER A 34 ? 0.1942 0.2008 0.1507 0.0060 -0.0116 -0.0311 51 SER A N 270 C CA . SER A 34 ? 0.1840 0.1965 0.1412 0.0069 -0.0100 -0.0333 51 SER A CA 271 C C . SER A 34 ? 0.2195 0.2373 0.1732 0.0046 -0.0094 -0.0329 51 SER A C 272 O O . SER A 34 ? 0.2058 0.2223 0.1568 0.0027 -0.0101 -0.0318 51 SER A O 273 C CB . SER A 34 ? 0.2044 0.2157 0.1636 0.0088 -0.0088 -0.0380 51 SER A CB 274 O OG . SER A 34 ? 0.2536 0.2646 0.2097 0.0071 -0.0086 -0.0408 51 SER A OG 275 N N . GLU A 35 ? 0.1949 0.2194 0.1492 0.0050 -0.0079 -0.0333 52 GLU A N 276 C CA . GLU A 35 ? 0.1715 0.2026 0.1226 0.0032 -0.0069 -0.0327 52 GLU A CA 277 C C . GLU A 35 ? 0.2068 0.2384 0.1544 0.0022 -0.0070 -0.0356 52 GLU A C 278 O O . GLU A 35 ? 0.2178 0.2518 0.1627 0.0001 -0.0076 -0.0332 52 GLU A O 279 C CB . GLU A 35 ? 0.2081 0.2466 0.1607 0.0043 -0.0049 -0.0339 52 GLU A CB 280 C CG . GLU A 35 ? 0.2645 0.3117 0.2144 0.0029 -0.0033 -0.0332 52 GLU A CG 281 C CD . GLU A 35 ? 0.2932 0.3473 0.2454 0.0044 -0.0011 -0.0346 52 GLU A CD 282 O OE1 . GLU A 35 ? 0.2505 0.3048 0.2066 0.0050 -0.0011 -0.0322 52 GLU A OE1 283 O OE2 . GLU A 35 ? 0.2806 0.3401 0.2307 0.0051 0.0006 -0.0385 52 GLU A OE2 284 N N . GLN A 36 ? 0.2090 0.2383 0.1574 0.0036 -0.0065 -0.0408 53 GLN A N 285 C CA . GLN A 36 ? 0.2339 0.2636 0.1792 0.0023 -0.0066 -0.0447 53 GLN A CA 286 C C . GLN A 36 ? 0.2320 0.2572 0.1760 0.0003 -0.0088 -0.0421 53 GLN A C 287 O O . GLN A 36 ? 0.2104 0.2398 0.1510 -0.0017 -0.0094 -0.0421 53 GLN A O 288 C CB . GLN A 36 ? 0.2378 0.2637 0.1859 0.0043 -0.0055 -0.0509 53 GLN A CB 289 C CG . GLN A 36 ? 0.2896 0.3158 0.2354 0.0026 -0.0056 -0.0563 53 GLN A CG 290 C CD . GLN A 36 ? 0.4346 0.4560 0.3846 0.0047 -0.0041 -0.0628 53 GLN A CD 291 O OE1 . GLN A 36 ? 0.4642 0.4900 0.4148 0.0061 -0.0017 -0.0672 53 GLN A OE1 292 N NE2 . GLN A 36 ? 0.3457 0.3581 0.2991 0.0048 -0.0051 -0.0632 53 GLN A NE2 293 N N . LEU A 37 ? 0.2147 0.2323 0.1613 0.0010 -0.0099 -0.0398 54 LEU A N 294 C CA . LEU A 37 ? 0.2135 0.2272 0.1593 -0.0006 -0.0117 -0.0372 54 LEU A CA 295 C C . LEU A 37 ? 0.1993 0.2178 0.1428 -0.0024 -0.0120 -0.0327 54 LEU A C 296 O O . LEU A 37 ? 0.1913 0.2117 0.1328 -0.0042 -0.0129 -0.0319 54 LEU A O 297 C CB . LEU A 37 ? 0.2439 0.2501 0.1926 0.0005 -0.0125 -0.0347 54 LEU A CB 298 C CG . LEU A 37 ? 0.2405 0.2425 0.1888 -0.0009 -0.0139 -0.0324 54 LEU A CG 299 C CD1 . LEU A 37 ? 0.2524 0.2514 0.2012 -0.0016 -0.0143 -0.0360 54 LEU A CD1 300 C CD2 . LEU A 37 ? 0.2162 0.2132 0.1664 0.0001 -0.0144 -0.0292 54 LEU A CD2 301 N N . PHE A 38 ? 0.1877 0.2083 0.1320 -0.0020 -0.0113 -0.0294 55 PHE A N 302 C CA . PHE A 38 ? 0.1758 0.2001 0.1195 -0.0036 -0.0113 -0.0246 55 PHE A CA 303 C C . PHE A 38 ? 0.1803 0.2133 0.1212 -0.0048 -0.0108 -0.0245 55 PHE A C 304 O O . PHE A 38 ? 0.1964 0.2321 0.1364 -0.0063 -0.0114 -0.0211 55 PHE A O 305 C CB . PHE A 38 ? 0.1850 0.2090 0.1313 -0.0032 -0.0106 -0.0216 55 PHE A CB 306 C CG . PHE A 38 ? 0.2141 0.2310 0.1624 -0.0026 -0.0115 -0.0211 55 PHE A CG 307 C CD1 . PHE A 38 ? 0.2472 0.2602 0.1957 -0.0036 -0.0121 -0.0184 55 PHE A CD1 308 C CD2 . PHE A 38 ? 0.1769 0.1914 0.1267 -0.0009 -0.0116 -0.0232 55 PHE A CD2 309 C CE1 . PHE A 38 ? 0.1977 0.2051 0.1472 -0.0031 -0.0127 -0.0182 55 PHE A CE1 310 C CE2 . PHE A 38 ? 0.2185 0.2277 0.1695 -0.0005 -0.0125 -0.0224 55 PHE A CE2 311 C CZ . PHE A 38 ? 0.1994 0.2052 0.1498 -0.0017 -0.0130 -0.0201 55 PHE A CZ 312 N N . MET A 39 ? 0.1797 0.2177 0.1194 -0.0041 -0.0096 -0.0281 56 MET A N 313 C CA . MET A 39 ? 0.1800 0.2276 0.1161 -0.0054 -0.0090 -0.0285 56 MET A CA 314 C C . MET A 39 ? 0.2312 0.2796 0.1646 -0.0069 -0.0106 -0.0308 56 MET A C 315 O O . MET A 39 ? 0.2057 0.2610 0.1368 -0.0087 -0.0112 -0.0278 56 MET A O 316 C CB . MET A 39 ? 0.1726 0.2257 0.1078 -0.0042 -0.0071 -0.0329 56 MET A CB 317 C CG . MET A 39 ? 0.2448 0.3005 0.1828 -0.0032 -0.0055 -0.0299 56 MET A CG 318 S SD . MET A 39 ? 0.2925 0.3546 0.2300 -0.0015 -0.0029 -0.0355 56 MET A SD 319 C CE . MET A 39 ? 0.2699 0.3455 0.2020 -0.0036 -0.0020 -0.0342 56 MET A CE 320 N N . GLU A 40 ? 0.1794 0.2211 0.1136 -0.0064 -0.0112 -0.0358 57 GLU A N 321 C CA . GLU A 40 ? 0.2020 0.2441 0.1343 -0.0083 -0.0127 -0.0385 57 GLU A CA 322 C C . GLU A 40 ? 0.1752 0.2159 0.1081 -0.0097 -0.0145 -0.0328 57 GLU A C 323 O O . GLU A 40 ? 0.2163 0.2632 0.1470 -0.0118 -0.0158 -0.0321 57 GLU A O 324 C CB . GLU A 40 ? 0.2297 0.2637 0.1643 -0.0075 -0.0128 -0.0446 57 GLU A CB 325 C CG . GLU A 40 ? 0.2463 0.2827 0.1805 -0.0064 -0.0108 -0.0514 57 GLU A CG 326 C CD . GLU A 40 ? 0.2998 0.3276 0.2377 -0.0053 -0.0105 -0.0572 57 GLU A CD 327 O OE1 . GLU A 40 ? 0.3619 0.3825 0.3022 -0.0059 -0.0120 -0.0560 57 GLU A OE1 328 O OE2 . GLU A 40 ? 0.3030 0.3314 0.2420 -0.0039 -0.0085 -0.0629 57 GLU A OE2 329 N N . MET A 41 ? 0.2092 0.2428 0.1453 -0.0086 -0.0145 -0.0288 58 MET A N 330 C CA . MET A 41 ? 0.2015 0.2335 0.1389 -0.0095 -0.0156 -0.0236 58 MET A CA 331 C C . MET A 41 ? 0.2090 0.2493 0.1459 -0.0103 -0.0153 -0.0180 58 MET A C 332 O O . MET A 41 ? 0.1943 0.2382 0.1311 -0.0117 -0.0165 -0.0147 58 MET A O 333 C CB . MET A 41 ? 0.2001 0.2233 0.1407 -0.0082 -0.0154 -0.0214 58 MET A CB 334 C CG . MET A 41 ? 0.2426 0.2582 0.1845 -0.0074 -0.0159 -0.0251 58 MET A CG 335 S SD . MET A 41 ? 0.2256 0.2400 0.1674 -0.0093 -0.0175 -0.0273 58 MET A SD 336 C CE . MET A 41 ? 0.2604 0.2663 0.2045 -0.0078 -0.0172 -0.0319 58 MET A CE 337 N N . ALA A 42 ? 0.2028 0.2465 0.1397 -0.0096 -0.0138 -0.0165 59 ALA A N 338 C CA . ALA A 42 ? 0.1978 0.2500 0.1348 -0.0104 -0.0132 -0.0107 59 ALA A CA 339 C C . ALA A 42 ? 0.1894 0.2520 0.1224 -0.0121 -0.0142 -0.0112 59 ALA A C 340 O O . ALA A 42 ? 0.2032 0.2715 0.1367 -0.0131 -0.0150 -0.0055 59 ALA A O 341 C CB . ALA A 42 ? 0.2131 0.2680 0.1508 -0.0095 -0.0112 -0.0099 59 ALA A CB 342 N N . ASP A 43 ? 0.1858 0.2512 0.1150 -0.0124 -0.0142 -0.0180 60 ASP A N 343 C CA . ASP A 43 ? 0.1873 0.2633 0.1121 -0.0143 -0.0152 -0.0202 60 ASP A CA 344 C C . ASP A 43 ? 0.2112 0.2865 0.1365 -0.0159 -0.0176 -0.0190 60 ASP A C 345 O O . ASP A 43 ? 0.2012 0.2865 0.1247 -0.0176 -0.0188 -0.0155 60 ASP A O 346 C CB . ASP A 43 ? 0.2123 0.2886 0.1342 -0.0142 -0.0144 -0.0294 60 ASP A CB 347 C CG . ASP A 43 ? 0.2267 0.3071 0.1475 -0.0128 -0.0119 -0.0306 60 ASP A CG 348 O OD1 . ASP A 43 ? 0.2250 0.3108 0.1466 -0.0125 -0.0109 -0.0241 60 ASP A OD1 349 O OD2 . ASP A 43 ? 0.2624 0.3407 0.1826 -0.0119 -0.0107 -0.0381 60 ASP A OD2 350 N N . ARG A 44 ? 0.1977 0.2623 0.1257 -0.0155 -0.0183 -0.0214 61 ARG A N 351 C CA . ARG A 44 ? 0.1796 0.2436 0.1089 -0.0170 -0.0205 -0.0198 61 ARG A CA 352 C C . ARG A 44 ? 0.1823 0.2487 0.1146 -0.0168 -0.0207 -0.0107 61 ARG A C 353 O O . ARG A 44 ? 0.1961 0.2697 0.1283 -0.0184 -0.0225 -0.0076 61 ARG A O 354 C CB . ARG A 44 ? 0.1987 0.2507 0.1307 -0.0165 -0.0208 -0.0236 61 ARG A CB 355 C CG . ARG A 44 ? 0.2275 0.2761 0.1581 -0.0166 -0.0204 -0.0324 61 ARG A CG 356 C CD . ARG A 44 ? 0.2309 0.2841 0.1597 -0.0195 -0.0220 -0.0381 61 ARG A CD 357 N NE . ARG A 44 ? 0.2859 0.3524 0.2108 -0.0217 -0.0233 -0.0368 61 ARG A NE 358 C CZ . ARG A 44 ? 0.2942 0.3703 0.2146 -0.0222 -0.0225 -0.0393 61 ARG A CZ 359 N NH1 . ARG A 44 ? 0.3407 0.4142 0.2604 -0.0203 -0.0201 -0.0435 61 ARG A NH1 360 N NH2 . ARG A 44 ? 0.3445 0.4339 0.2613 -0.0245 -0.0240 -0.0373 61 ARG A NH2 361 N N . MET A 45 ? 0.2025 0.2634 0.1380 -0.0149 -0.0190 -0.0066 62 MET A N 362 C CA . MET A 45 ? 0.2175 0.2795 0.1572 -0.0144 -0.0187 0.0016 62 MET A CA 363 C C . MET A 45 ? 0.2038 0.2788 0.1423 -0.0153 -0.0190 0.0070 62 MET A C 364 O O . MET A 45 ? 0.2166 0.2962 0.1580 -0.0157 -0.0198 0.0133 62 MET A O 365 C CB . MET A 45 ? 0.2142 0.2678 0.1577 -0.0126 -0.0167 0.0038 62 MET A CB 366 C CG . MET A 45 ? 0.1970 0.2392 0.1417 -0.0117 -0.0166 -0.0001 62 MET A CG 367 S SD . MET A 45 ? 0.2147 0.2482 0.1632 -0.0101 -0.0146 0.0012 62 MET A SD 368 C CE . MET A 45 ? 0.2314 0.2644 0.1856 -0.0099 -0.0138 0.0086 62 MET A CE 369 N N . ALA A 46 ? 0.1929 0.2746 0.1276 -0.0156 -0.0181 0.0049 63 ALA A N 370 C CA . ALA A 46 ? 0.1906 0.2861 0.1235 -0.0165 -0.0182 0.0102 63 ALA A CA 371 C C . ALA A 46 ? 0.2336 0.3398 0.1622 -0.0188 -0.0207 0.0086 63 ALA A C 372 O O . ALA A 46 ? 0.2881 0.4052 0.2172 -0.0196 -0.0217 0.0156 63 ALA A O 373 C CB . ALA A 46 ? 0.2241 0.3240 0.1539 -0.0162 -0.0163 0.0081 63 ALA A CB 374 N N . GLN A 47 ? 0.2062 0.3095 0.1313 -0.0199 -0.0219 -0.0003 64 GLN A N 375 C CA . GLN A 47 ? 0.1978 0.3122 0.1182 -0.0227 -0.0242 -0.0039 64 GLN A CA 376 C C . GLN A 47 ? 0.2413 0.3547 0.1641 -0.0242 -0.0268 -0.0030 64 GLN A C 377 O O . GLN A 47 ? 0.2469 0.3724 0.1671 -0.0266 -0.0292 -0.0026 64 GLN A O 378 C CB . GLN A 47 ? 0.2411 0.3546 0.1566 -0.0236 -0.0237 -0.0150 64 GLN A CB 379 C CG . GLN A 47 ? 0.2885 0.4077 0.2007 -0.0226 -0.0213 -0.0162 64 GLN A CG 380 C CD . GLN A 47 ? 0.3879 0.5037 0.2969 -0.0227 -0.0201 -0.0274 64 GLN A CD 381 O OE1 . GLN A 47 ? 0.3965 0.5114 0.3039 -0.0246 -0.0215 -0.0347 64 GLN A OE1 382 N NE2 . GLN A 47 ? 0.4280 0.5420 0.3368 -0.0208 -0.0175 -0.0290 64 GLN A NE2 383 N N . ASP A 48 ? 0.2457 0.3459 0.1734 -0.0228 -0.0265 -0.0028 65 ASP A N 384 C CA . ASP A 48 ? 0.1889 0.2868 0.1190 -0.0242 -0.0287 -0.0035 65 ASP A CA 385 C C . ASP A 48 ? 0.2312 0.3278 0.1675 -0.0229 -0.0288 0.0056 65 ASP A C 386 O O . ASP A 48 ? 0.2608 0.3516 0.2006 -0.0232 -0.0296 0.0054 65 ASP A O 387 C CB . ASP A 48 ? 0.2459 0.3303 0.1771 -0.0239 -0.0282 -0.0110 65 ASP A CB 388 C CG . ASP A 48 ? 0.3215 0.4063 0.2482 -0.0253 -0.0281 -0.0208 65 ASP A CG 389 O OD1 . ASP A 48 ? 0.2896 0.3860 0.2115 -0.0268 -0.0286 -0.0229 65 ASP A OD1 390 O OD2 . ASP A 48 ? 0.2482 0.3219 0.1764 -0.0247 -0.0273 -0.0264 65 ASP A OD2 391 N N . GLY A 49 ? 0.2230 0.3246 0.1613 -0.0215 -0.0276 0.0136 66 GLY A N 392 C CA . GLY A 49 ? 0.2378 0.3410 0.1826 -0.0203 -0.0276 0.0231 66 GLY A CA 393 C C . GLY A 49 ? 0.2205 0.3107 0.1711 -0.0175 -0.0249 0.0259 66 GLY A C 394 O O . GLY A 49 ? 0.2783 0.3690 0.2351 -0.0161 -0.0241 0.0337 66 GLY A O 395 N N . TRP A 50 ? 0.2177 0.2968 0.1667 -0.0167 -0.0235 0.0196 67 TRP A N 396 C CA . TRP A 50 ? 0.1890 0.2559 0.1427 -0.0146 -0.0212 0.0208 67 TRP A CA 397 C C . TRP A 50 ? 0.1913 0.2589 0.1494 -0.0130 -0.0190 0.0278 67 TRP A C 398 O O . TRP A 50 ? 0.1946 0.2583 0.1592 -0.0116 -0.0177 0.0330 67 TRP A O 399 C CB . TRP A 50 ? 0.1826 0.2399 0.1332 -0.0142 -0.0204 0.0130 67 TRP A CB 400 C CG . TRP A 50 ? 0.1649 0.2195 0.1128 -0.0155 -0.0221 0.0065 67 TRP A CG 401 C CD1 . TRP A 50 ? 0.2454 0.3027 0.1884 -0.0170 -0.0232 -0.0001 67 TRP A CD1 402 C CD2 . TRP A 50 ? 0.1884 0.2376 0.1392 -0.0157 -0.0228 0.0063 67 TRP A CD2 403 N NE1 . TRP A 50 ? 0.1946 0.2475 0.1379 -0.0182 -0.0245 -0.0044 67 TRP A NE1 404 C CE2 . TRP A 50 ? 0.1858 0.2343 0.1337 -0.0174 -0.0243 -0.0002 67 TRP A CE2 405 C CE3 . TRP A 50 ? 0.1816 0.2267 0.1375 -0.0145 -0.0219 0.0108 67 TRP A CE3 406 C CZ2 . TRP A 50 ? 0.2364 0.2801 0.1866 -0.0182 -0.0252 -0.0017 67 TRP A CZ2 407 C CZ3 . TRP A 50 ? 0.1725 0.2136 0.1301 -0.0151 -0.0226 0.0092 67 TRP A CZ3 408 C CH2 . TRP A 50 ? 0.1933 0.2336 0.1481 -0.0170 -0.0243 0.0032 67 TRP A CH2 409 N N . ARG A 51 ? 0.2071 0.2797 0.1624 -0.0132 -0.0183 0.0279 68 ARG A N 410 C CA . ARG A 51 ? 0.1976 0.2714 0.1577 -0.0121 -0.0161 0.0348 68 ARG A CA 411 C C . ARG A 51 ? 0.2156 0.2971 0.1813 -0.0117 -0.0164 0.0444 68 ARG A C 412 O O . ARG A 51 ? 0.2418 0.3187 0.2151 -0.0102 -0.0143 0.0501 68 ARG A O 413 C CB . ARG A 51 ? 0.2239 0.3042 0.1797 -0.0127 -0.0155 0.0339 68 ARG A CB 414 C CG . ARG A 51 ? 0.2126 0.2949 0.1738 -0.0119 -0.0131 0.0413 68 ARG A CG 415 C CD . ARG A 51 ? 0.2114 0.3049 0.1678 -0.0129 -0.0130 0.0420 68 ARG A CD 416 N NE . ARG A 51 ? 0.2445 0.3517 0.1970 -0.0142 -0.0152 0.0447 68 ARG A NE 417 C CZ . ARG A 51 ? 0.3211 0.4386 0.2661 -0.0156 -0.0162 0.0408 68 ARG A CZ 418 N NH1 . ARG A 51 ? 0.2925 0.4082 0.2333 -0.0157 -0.0150 0.0344 68 ARG A NH1 419 N NH2 . ARG A 51 ? 0.3143 0.4447 0.2561 -0.0171 -0.0185 0.0433 68 ARG A NH2 420 N N . ASP A 52 ? 0.2425 0.3359 0.2049 -0.0132 -0.0189 0.0460 69 ASP A N 421 C CA . ASP A 52 ? 0.2623 0.3655 0.2296 -0.0129 -0.0197 0.0555 69 ASP A CA 422 C C . ASP A 52 ? 0.2344 0.3310 0.2093 -0.0114 -0.0193 0.0587 69 ASP A C 423 O O . ASP A 52 ? 0.2505 0.3508 0.2330 -0.0100 -0.0185 0.0679 69 ASP A O 424 C CB . ASP A 52 ? 0.2899 0.4079 0.2511 -0.0152 -0.0230 0.0549 69 ASP A CB 425 C CG . ASP A 52 ? 0.4276 0.5556 0.3820 -0.0166 -0.0231 0.0536 69 ASP A CG 426 O OD1 . ASP A 52 ? 0.3547 0.4805 0.3105 -0.0155 -0.0206 0.0559 69 ASP A OD1 427 O OD2 . ASP A 52 ? 0.4201 0.5587 0.3677 -0.0189 -0.0257 0.0497 69 ASP A OD2 428 N N . MET A 53 ? 0.2497 0.3371 0.2229 -0.0116 -0.0197 0.0515 70 MET A N 429 C CA . MET A 53 ? 0.2242 0.3045 0.2041 -0.0101 -0.0189 0.0534 70 MET A CA 430 C C . MET A 53 ? 0.2239 0.2916 0.2093 -0.0080 -0.0153 0.0535 70 MET A C 431 O O . MET A 53 ? 0.2629 0.3248 0.2545 -0.0064 -0.0138 0.0554 70 MET A O 432 C CB . MET A 53 ? 0.2413 0.3176 0.2172 -0.0114 -0.0207 0.0460 70 MET A CB 433 C CG . MET A 53 ? 0.3124 0.4008 0.2847 -0.0139 -0.0243 0.0456 70 MET A CG 434 S SD . MET A 53 ? 0.3199 0.4219 0.2992 -0.0133 -0.0255 0.0573 70 MET A SD 435 C CE . MET A 53 ? 0.3059 0.3980 0.2946 -0.0109 -0.0234 0.0599 70 MET A CE 436 N N . GLY A 54 ? 0.2344 0.2980 0.2175 -0.0080 -0.0138 0.0510 71 GLY A N 437 C CA . GLY A 54 ? 0.2263 0.2792 0.2148 -0.0065 -0.0105 0.0509 71 GLY A CA 438 C C . GLY A 54 ? 0.2542 0.2975 0.2379 -0.0069 -0.0099 0.0422 71 GLY A C 439 O O . GLY A 54 ? 0.2232 0.2587 0.2106 -0.0061 -0.0074 0.0414 71 GLY A O 440 N N . TYR A 55 ? 0.1987 0.2428 0.1748 -0.0081 -0.0121 0.0358 72 TYR A N 441 C CA . TYR A 55 ? 0.1918 0.2278 0.1637 -0.0083 -0.0118 0.0282 72 TYR A CA 442 C C . TYR A 55 ? 0.2553 0.2937 0.2247 -0.0088 -0.0112 0.0273 72 TYR A C 443 O O . TYR A 55 ? 0.2180 0.2634 0.1823 -0.0098 -0.0126 0.0257 72 TYR A O 444 C CB . TYR A 55 ? 0.1740 0.2100 0.1401 -0.0093 -0.0141 0.0224 72 TYR A CB 445 C CG . TYR A 55 ? 0.1737 0.2064 0.1421 -0.0090 -0.0145 0.0225 72 TYR A CG 446 C CD1 . TYR A 55 ? 0.2018 0.2250 0.1710 -0.0082 -0.0133 0.0191 72 TYR A CD1 447 C CD2 . TYR A 55 ? 0.1998 0.2398 0.1698 -0.0097 -0.0161 0.0262 72 TYR A CD2 448 C CE1 . TYR A 55 ? 0.2090 0.2298 0.1805 -0.0079 -0.0133 0.0195 72 TYR A CE1 449 C CE2 . TYR A 55 ? 0.1856 0.2231 0.1584 -0.0095 -0.0163 0.0266 72 TYR A CE2 450 C CZ . TYR A 55 ? 0.1863 0.2139 0.1598 -0.0085 -0.0148 0.0232 72 TYR A CZ 451 O OH . TYR A 55 ? 0.2017 0.2275 0.1780 -0.0083 -0.0147 0.0237 72 TYR A OH 452 N N . THR A 56 ? 0.1803 0.2133 0.1538 -0.0082 -0.0089 0.0282 73 THR A N 453 C CA . THR A 56 ? 0.1937 0.2301 0.1670 -0.0086 -0.0079 0.0293 73 THR A CA 454 C C . THR A 56 ? 0.2074 0.2376 0.1784 -0.0088 -0.0073 0.0232 73 THR A C 455 O O . THR A 56 ? 0.2214 0.2555 0.1905 -0.0093 -0.0070 0.0226 73 THR A O 456 C CB . THR A 56 ? 0.1933 0.2307 0.1747 -0.0083 -0.0056 0.0369 73 THR A CB 457 O OG1 . THR A 56 ? 0.2744 0.3020 0.2617 -0.0075 -0.0037 0.0363 73 THR A OG1 458 C CG2 . THR A 56 ? 0.2449 0.2915 0.2287 -0.0080 -0.0064 0.0445 73 THR A CG2 459 N N . TYR A 57 ? 0.1954 0.2170 0.1666 -0.0084 -0.0071 0.0189 74 TYR A N 460 C CA . TYR A 57 ? 0.1831 0.1998 0.1523 -0.0085 -0.0068 0.0136 74 TYR A CA 461 C C . TYR A 57 ? 0.2084 0.2252 0.1712 -0.0084 -0.0087 0.0081 74 TYR A C 462 O O . TYR A 57 ? 0.1878 0.2036 0.1486 -0.0081 -0.0100 0.0068 74 TYR A O 463 C CB . TYR A 57 ? 0.1728 0.1810 0.1456 -0.0082 -0.0054 0.0118 74 TYR A CB 464 C CG . TYR A 57 ? 0.1768 0.1833 0.1570 -0.0086 -0.0029 0.0156 74 TYR A CG 465 C CD1 . TYR A 57 ? 0.2099 0.2155 0.1925 -0.0096 -0.0018 0.0146 74 TYR A CD1 466 C CD2 . TYR A 57 ? 0.2043 0.2102 0.1902 -0.0079 -0.0016 0.0205 74 TYR A CD2 467 C CE1 . TYR A 57 ? 0.1999 0.2034 0.1903 -0.0102 0.0005 0.0181 74 TYR A CE1 468 C CE2 . TYR A 57 ? 0.2194 0.2230 0.2135 -0.0081 0.0009 0.0243 74 TYR A CE2 469 C CZ . TYR A 57 ? 0.2155 0.2176 0.2119 -0.0093 0.0020 0.0229 74 TYR A CZ 470 O OH . TYR A 57 ? 0.2145 0.2137 0.2199 -0.0098 0.0048 0.0264 74 TYR A OH 471 N N A LEU A 58 ? 0.1984 0.2165 0.1590 -0.0085 -0.0087 0.0051 75 LEU A N 472 N N B LEU A 58 ? 0.1919 0.2103 0.1524 -0.0085 -0.0088 0.0052 75 LEU A N 473 C CA A LEU A 58 ? 0.2000 0.2174 0.1560 -0.0080 -0.0101 -0.0001 75 LEU A CA 474 C CA B LEU A 58 ? 0.1637 0.1810 0.1196 -0.0080 -0.0101 -0.0002 75 LEU A CA 475 C C A LEU A 58 ? 0.2001 0.2127 0.1569 -0.0076 -0.0096 -0.0030 75 LEU A C 476 C C B LEU A 58 ? 0.1858 0.1984 0.1428 -0.0077 -0.0096 -0.0029 75 LEU A C 477 O O A LEU A 58 ? 0.2135 0.2285 0.1717 -0.0079 -0.0087 -0.0028 75 LEU A O 478 O O B LEU A 58 ? 0.1664 0.1811 0.1251 -0.0080 -0.0086 -0.0024 75 LEU A O 479 C CB A LEU A 58 ? 0.2063 0.2313 0.1592 -0.0082 -0.0104 -0.0009 75 LEU A CB 480 C CB B LEU A 58 ? 0.1672 0.1918 0.1198 -0.0081 -0.0105 -0.0014 75 LEU A CB 481 C CG A LEU A 58 ? 0.3743 0.3987 0.3233 -0.0075 -0.0114 -0.0066 75 LEU A CG 482 C CG B LEU A 58 ? 0.1349 0.1581 0.0840 -0.0074 -0.0114 -0.0071 75 LEU A CG 483 C CD1 A LEU A 58 ? 0.3267 0.3462 0.2768 -0.0066 -0.0110 -0.0093 75 LEU A CD1 484 C CD1 B LEU A 58 ? 0.2222 0.2457 0.1688 -0.0077 -0.0129 -0.0090 75 LEU A CD1 485 C CD2 A LEU A 58 ? 0.2747 0.2961 0.2220 -0.0076 -0.0128 -0.0085 75 LEU A CD2 486 C CD2 B LEU A 58 ? 0.1819 0.2111 0.1295 -0.0071 -0.0107 -0.0089 75 LEU A CD2 487 N N . ASN A 59 ? 0.1666 0.1734 0.1227 -0.0071 -0.0102 -0.0054 76 ASN A N 488 C CA . ASN A 59 ? 0.1549 0.1580 0.1121 -0.0071 -0.0098 -0.0075 76 ASN A CA 489 C C . ASN A 59 ? 0.1757 0.1775 0.1302 -0.0061 -0.0111 -0.0111 76 ASN A C 490 O O . ASN A 59 ? 0.1827 0.1822 0.1352 -0.0054 -0.0120 -0.0123 76 ASN A O 491 C CB . ASN A 59 ? 0.1968 0.1949 0.1561 -0.0074 -0.0090 -0.0068 76 ASN A CB 492 C CG . ASN A 59 ? 0.1915 0.1899 0.1555 -0.0082 -0.0073 -0.0030 76 ASN A CG 493 O OD1 . ASN A 59 ? 0.1839 0.1868 0.1495 -0.0086 -0.0068 -0.0001 76 ASN A OD1 494 N ND2 . ASN A 59 ? 0.1960 0.1901 0.1626 -0.0083 -0.0061 -0.0027 76 ASN A ND2 495 N N . ILE A 60 ? 0.1922 0.1959 0.1475 -0.0061 -0.0109 -0.0124 77 ILE A N 496 C CA . ILE A 60 ? 0.1642 0.1675 0.1184 -0.0050 -0.0119 -0.0150 77 ILE A CA 497 C C . ILE A 60 ? 0.1574 0.1570 0.1116 -0.0052 -0.0123 -0.0156 77 ILE A C 498 O O . ILE A 60 ? 0.1759 0.1744 0.1319 -0.0066 -0.0114 -0.0151 77 ILE A O 499 C CB . ILE A 60 ? 0.1586 0.1664 0.1145 -0.0050 -0.0115 -0.0156 77 ILE A CB 500 C CG1 . ILE A 60 ? 0.1893 0.2020 0.1449 -0.0048 -0.0107 -0.0150 77 ILE A CG1 501 C CG2 . ILE A 60 ? 0.1903 0.1985 0.1459 -0.0034 -0.0126 -0.0178 77 ILE A CG2 502 C CD1 . ILE A 60 ? 0.2346 0.2527 0.1927 -0.0052 -0.0098 -0.0146 77 ILE A CD1 503 N N . ASP A 61 ? 0.1767 0.1744 0.1292 -0.0040 -0.0134 -0.0167 78 ASP A N 504 C CA . ASP A 61 ? 0.1692 0.1651 0.1210 -0.0042 -0.0139 -0.0172 78 ASP A CA 505 C C . ASP A 61 ? 0.1860 0.1848 0.1380 -0.0033 -0.0151 -0.0181 78 ASP A C 506 O O . ASP A 61 ? 0.1832 0.1855 0.1368 -0.0031 -0.0151 -0.0186 78 ASP A O 507 C CB . ASP A 61 ? 0.1713 0.1636 0.1214 -0.0038 -0.0141 -0.0164 78 ASP A CB 508 C CG . ASP A 61 ? 0.1842 0.1750 0.1334 -0.0046 -0.0136 -0.0166 78 ASP A CG 509 O OD1 . ASP A 61 ? 0.1839 0.1755 0.1316 -0.0040 -0.0146 -0.0169 78 ASP A OD1 510 O OD2 . ASP A 61 ? 0.2115 0.2008 0.1618 -0.0057 -0.0123 -0.0164 78 ASP A OD2 511 N N . ASP A 62 ? 0.1843 0.1824 0.1349 -0.0026 -0.0161 -0.0179 79 ASP A N 512 C CA . ASP A 62 ? 0.2028 0.2047 0.1539 -0.0018 -0.0174 -0.0179 79 ASP A CA 513 C C . ASP A 62 ? 0.1732 0.1761 0.1262 0.0004 -0.0177 -0.0176 79 ASP A C 514 O O . ASP A 62 ? 0.1926 0.1928 0.1457 0.0012 -0.0171 -0.0177 79 ASP A O 515 C CB . ASP A 62 ? 0.1825 0.1843 0.1315 -0.0016 -0.0183 -0.0169 79 ASP A CB 516 C CG . ASP A 62 ? 0.1736 0.1810 0.1226 -0.0016 -0.0198 -0.0168 79 ASP A CG 517 O OD1 . ASP A 62 ? 0.1992 0.2109 0.1507 -0.0015 -0.0204 -0.0174 79 ASP A OD1 518 O OD2 . ASP A 62 ? 0.1857 0.1943 0.1323 -0.0018 -0.0204 -0.0160 79 ASP A OD2 519 N N . CYS A 63 ? 0.1772 0.1846 0.1322 0.0013 -0.0187 -0.0174 80 CYS A N 520 C CA . CYS A 63 ? 0.1604 0.1691 0.1182 0.0040 -0.0189 -0.0169 80 CYS A CA 521 C C . CYS A 63 ? 0.2271 0.2378 0.1867 0.0043 -0.0177 -0.0186 80 CYS A C 522 O O . CYS A 63 ? 0.2518 0.2624 0.2137 0.0066 -0.0172 -0.0191 80 CYS A O 523 C CB . CYS A 63 ? 0.2011 0.2051 0.1590 0.0059 -0.0190 -0.0158 80 CYS A CB 524 S SG . CYS A 63 ? 0.2456 0.2484 0.2009 0.0053 -0.0201 -0.0131 80 CYS A SG 525 N N . TRP A 64 ? 0.2046 0.2173 0.1639 0.0021 -0.0169 -0.0194 81 TRP A N 526 C CA . TRP A 64 ? 0.1832 0.1993 0.1442 0.0022 -0.0156 -0.0203 81 TRP A CA 527 C C . TRP A 64 ? 0.1451 0.1676 0.1096 0.0024 -0.0158 -0.0202 81 TRP A C 528 O O . TRP A 64 ? 0.1924 0.2186 0.1589 0.0032 -0.0147 -0.0209 81 TRP A O 529 C CB . TRP A 64 ? 0.1789 0.1942 0.1386 -0.0001 -0.0144 -0.0201 81 TRP A CB 530 C CG . TRP A 64 ? 0.1483 0.1646 0.1090 -0.0027 -0.0144 -0.0196 81 TRP A CG 531 C CD1 . TRP A 64 ? 0.1806 0.1932 0.1399 -0.0043 -0.0147 -0.0195 81 TRP A CD1 532 C CD2 . TRP A 64 ? 0.1995 0.2206 0.1633 -0.0043 -0.0139 -0.0195 81 TRP A CD2 533 N NE1 . TRP A 64 ? 0.1906 0.2051 0.1521 -0.0067 -0.0144 -0.0199 81 TRP A NE1 534 C CE2 . TRP A 64 ? 0.1678 0.1873 0.1323 -0.0069 -0.0140 -0.0197 81 TRP A CE2 535 C CE3 . TRP A 64 ? 0.1962 0.2230 0.1628 -0.0037 -0.0131 -0.0194 81 TRP A CE3 536 C CZ2 . TRP A 64 ? 0.1876 0.2105 0.1559 -0.0093 -0.0135 -0.0199 81 TRP A CZ2 537 C CZ3 . TRP A 64 ? 0.1714 0.2021 0.1416 -0.0060 -0.0127 -0.0189 81 TRP A CZ3 538 C CH2 . TRP A 64 ? 0.1865 0.2150 0.1577 -0.0089 -0.0129 -0.0192 81 TRP A CH2 539 N N . ILE A 65 ? 0.1822 0.2069 0.1474 0.0015 -0.0174 -0.0195 82 ILE A N 540 C CA . ILE A 65 ? 0.2323 0.2636 0.2007 0.0005 -0.0179 -0.0195 82 ILE A CA 541 C C . ILE A 65 ? 0.2306 0.2663 0.2025 0.0036 -0.0186 -0.0187 82 ILE A C 542 O O . ILE A 65 ? 0.2071 0.2410 0.1788 0.0060 -0.0195 -0.0175 82 ILE A O 543 C CB . ILE A 65 ? 0.1587 0.1913 0.1263 -0.0021 -0.0194 -0.0198 82 ILE A CB 544 C CG1 . ILE A 65 ? 0.1963 0.2242 0.1619 -0.0050 -0.0183 -0.0208 82 ILE A CG1 545 C CG2 . ILE A 65 ? 0.2009 0.2413 0.1725 -0.0035 -0.0203 -0.0200 82 ILE A CG2 546 C CD1 . ILE A 65 ? 0.2085 0.2360 0.1725 -0.0076 -0.0193 -0.0222 82 ILE A CD1 547 N N . GLY A 66 ? 0.1898 0.2315 0.1655 0.0038 -0.0178 -0.0189 83 GLY A N 548 C CA . GLY A 66 ? 0.1911 0.2381 0.1713 0.0069 -0.0181 -0.0179 83 GLY A CA 549 C C . GLY A 66 ? 0.2625 0.3170 0.2459 0.0059 -0.0202 -0.0166 83 GLY A C 550 O O . GLY A 66 ? 0.3221 0.3801 0.3085 0.0086 -0.0215 -0.0147 83 GLY A O 551 N N . GLY A 67 ? 0.1992 0.2568 0.1828 0.0020 -0.0206 -0.0174 84 GLY A N 552 C CA . GLY A 67 ? 0.1806 0.2461 0.1671 0.0002 -0.0228 -0.0169 84 GLY A CA 553 C C . GLY A 67 ? 0.2121 0.2794 0.2000 -0.0041 -0.0220 -0.0185 84 GLY A C 554 O O . GLY A 67 ? 0.2536 0.3153 0.2395 -0.0055 -0.0201 -0.0195 84 GLY A O 555 N N . ARG A 68 ? 0.1971 0.2725 0.1890 -0.0062 -0.0236 -0.0186 85 ARG A N 556 C CA . ARG A 68 ? 0.1929 0.2711 0.1881 -0.0104 -0.0228 -0.0199 85 ARG A CA 557 C C . ARG A 68 ? 0.1825 0.2699 0.1844 -0.0095 -0.0224 -0.0184 85 ARG A C 558 O O . ARG A 68 ? 0.2029 0.2969 0.2073 -0.0069 -0.0241 -0.0169 85 ARG A O 559 C CB . ARG A 68 ? 0.1872 0.2670 0.1819 -0.0149 -0.0249 -0.0223 85 ARG A CB 560 C CG . ARG A 68 ? 0.1927 0.2636 0.1817 -0.0164 -0.0245 -0.0242 85 ARG A CG 561 C CD . ARG A 68 ? 0.2293 0.3024 0.2181 -0.0211 -0.0262 -0.0276 85 ARG A CD 562 N NE . ARG A 68 ? 0.2030 0.2678 0.1868 -0.0222 -0.0254 -0.0298 85 ARG A NE 563 C CZ . ARG A 68 ? 0.1953 0.2526 0.1796 -0.0241 -0.0229 -0.0311 85 ARG A CZ 564 N NH1 . ARG A 68 ? 0.2218 0.2785 0.2111 -0.0254 -0.0208 -0.0301 85 ARG A NH1 565 N NH2 . ARG A 68 ? 0.2013 0.2519 0.1812 -0.0246 -0.0223 -0.0330 85 ARG A NH2 566 N N . ASP A 69 ? 0.1735 0.2621 0.1787 -0.0115 -0.0201 -0.0184 86 ASP A N 567 C CA . ASP A 69 ? 0.1954 0.2934 0.2073 -0.0106 -0.0193 -0.0168 86 ASP A CA 568 C C . ASP A 69 ? 0.2066 0.3132 0.2238 -0.0146 -0.0216 -0.0173 86 ASP A C 569 O O . ASP A 69 ? 0.1876 0.2931 0.2027 -0.0175 -0.0240 -0.0193 86 ASP A O 570 C CB . ASP A 69 ? 0.1875 0.2845 0.2006 -0.0105 -0.0156 -0.0159 86 ASP A CB 571 C CG . ASP A 69 ? 0.2227 0.3193 0.2385 -0.0155 -0.0145 -0.0159 86 ASP A CG 572 O OD1 . ASP A 69 ? 0.1913 0.2875 0.2084 -0.0196 -0.0163 -0.0175 86 ASP A OD1 573 O OD2 . ASP A 69 ? 0.2153 0.3122 0.2322 -0.0155 -0.0115 -0.0143 86 ASP A OD2 574 N N . ALA A 70 ? 0.1576 0.2734 0.1818 -0.0147 -0.0209 -0.0158 87 ALA A N 575 C CA . ALA A 70 ? 0.1630 0.2884 0.1930 -0.0183 -0.0234 -0.0162 87 ALA A CA 576 C C . ALA A 70 ? 0.1718 0.2945 0.2027 -0.0248 -0.0236 -0.0189 87 ALA A C 577 O O . ALA A 70 ? 0.2223 0.3511 0.2560 -0.0287 -0.0264 -0.0207 87 ALA A O 578 C CB . ALA A 70 ? 0.1685 0.3047 0.2065 -0.0171 -0.0222 -0.0138 87 ALA A CB 579 N N . SER A 71 ? 0.1676 0.2816 0.1965 -0.0262 -0.0208 -0.0192 88 SER A N 580 C CA . SER A 71 ? 0.1801 0.2896 0.2107 -0.0320 -0.0205 -0.0216 88 SER A CA 581 C C . SER A 71 ? 0.2016 0.3017 0.2253 -0.0327 -0.0215 -0.0246 88 SER A C 582 O O . SER A 71 ? 0.2212 0.3161 0.2461 -0.0370 -0.0208 -0.0271 88 SER A O 583 C CB . SER A 71 ? 0.2244 0.3301 0.2579 -0.0330 -0.0166 -0.0193 88 SER A CB 584 O OG . SER A 71 ? 0.2393 0.3543 0.2803 -0.0337 -0.0154 -0.0168 88 SER A OG 585 N N . GLY A 72 ? 0.1861 0.2838 0.2033 -0.0284 -0.0227 -0.0243 89 GLY A N 586 C CA . GLY A 72 ? 0.1917 0.2813 0.2021 -0.0286 -0.0235 -0.0266 89 GLY A CA 587 C C . GLY A 72 ? 0.2160 0.2950 0.2225 -0.0267 -0.0207 -0.0256 89 GLY A C 588 O O . GLY A 72 ? 0.2150 0.2867 0.2169 -0.0273 -0.0207 -0.0275 89 GLY A O 589 N N A ARG A 73 ? 0.1975 0.2768 0.2058 -0.0245 -0.0182 -0.0226 90 ARG A N 590 N N B ARG A 73 ? 0.1944 0.2735 0.2028 -0.0247 -0.0181 -0.0226 90 ARG A N 591 C CA A ARG A 73 ? 0.2083 0.2796 0.2136 -0.0231 -0.0155 -0.0211 90 ARG A CA 592 C CA B ARG A 73 ? 0.1827 0.2536 0.1879 -0.0233 -0.0155 -0.0212 90 ARG A CA 593 C C A ARG A 73 ? 0.1963 0.2633 0.1948 -0.0186 -0.0160 -0.0207 90 ARG A C 594 C C B ARG A 73 ? 0.1983 0.2652 0.1968 -0.0186 -0.0160 -0.0208 90 ARG A C 595 O O A ARG A 73 ? 0.1964 0.2676 0.1946 -0.0151 -0.0167 -0.0199 90 ARG A O 596 O O B ARG A 73 ? 0.2028 0.2742 0.2012 -0.0152 -0.0168 -0.0199 90 ARG A O 597 C CB A ARG A 73 ? 0.2865 0.3618 0.2959 -0.0227 -0.0128 -0.0180 90 ARG A CB 598 C CB B ARG A 73 ? 0.2095 0.2833 0.2188 -0.0232 -0.0127 -0.0181 90 ARG A CB 599 C CG A ARG A 73 ? 0.4866 0.5561 0.4951 -0.0230 -0.0100 -0.0159 90 ARG A CG 600 C CG B ARG A 73 ? 0.2884 0.3555 0.2947 -0.0223 -0.0101 -0.0161 90 ARG A CG 601 C CD A ARG A 73 ? 0.4392 0.5152 0.4522 -0.0230 -0.0075 -0.0125 90 ARG A CD 602 C CD B ARG A 73 ? 0.4028 0.4754 0.4132 -0.0223 -0.0074 -0.0126 90 ARG A CD 603 N NE A ARG A 73 ? 0.4094 0.4930 0.4297 -0.0259 -0.0080 -0.0126 90 ARG A NE 604 N NE B ARG A 73 ? 0.3445 0.4129 0.3530 -0.0219 -0.0050 -0.0098 90 ARG A NE 605 C CZ A ARG A 73 ? 0.3899 0.4740 0.4167 -0.0304 -0.0068 -0.0116 90 ARG A CZ 606 C CZ B ARG A 73 ? 0.2910 0.3551 0.3027 -0.0250 -0.0036 -0.0080 90 ARG A CZ 607 N NH1 A ARG A 73 ? 0.4846 0.5620 0.5120 -0.0321 -0.0049 -0.0100 90 ARG A NH1 608 N NH1 B ARG A 73 ? 0.2693 0.3314 0.2860 -0.0289 -0.0042 -0.0097 90 ARG A NH1 609 N NH2 A ARG A 73 ? 0.2040 0.2957 0.2377 -0.0331 -0.0076 -0.0121 90 ARG A NH2 610 N NH2 B ARG A 73 ? 0.2663 0.3283 0.2764 -0.0243 -0.0016 -0.0046 90 ARG A NH2 611 N N . LEU A 74 ? 0.1820 0.2405 0.1759 -0.0185 -0.0154 -0.0214 91 LEU A N 612 C CA . LEU A 74 ? 0.1796 0.2338 0.1677 -0.0147 -0.0158 -0.0210 91 LEU A CA 613 C C . LEU A 74 ? 0.1755 0.2308 0.1634 -0.0115 -0.0140 -0.0191 91 LEU A C 614 O O . LEU A 74 ? 0.1919 0.2482 0.1818 -0.0126 -0.0119 -0.0177 91 LEU A O 615 C CB . LEU A 74 ? 0.2848 0.3303 0.2689 -0.0155 -0.0152 -0.0217 91 LEU A CB 616 C CG . LEU A 74 ? 0.3285 0.3708 0.3099 -0.0170 -0.0168 -0.0241 91 LEU A CG 617 C CD1 . LEU A 74 ? 0.2865 0.3205 0.2652 -0.0173 -0.0152 -0.0241 91 LEU A CD1 618 C CD2 . LEU A 74 ? 0.2351 0.2798 0.2130 -0.0143 -0.0192 -0.0242 91 LEU A CD2 619 N N . MET A 75 ? 0.1894 0.2448 0.1749 -0.0078 -0.0148 -0.0192 92 MET A N 620 C CA . MET A 75 ? 0.2109 0.2667 0.1955 -0.0045 -0.0130 -0.0186 92 MET A CA 621 C C . MET A 75 ? 0.1974 0.2464 0.1771 -0.0020 -0.0135 -0.0193 92 MET A C 622 O O . MET A 75 ? 0.2115 0.2584 0.1899 -0.0014 -0.0154 -0.0195 92 MET A O 623 C CB . MET A 75 ? 0.2271 0.2903 0.2159 -0.0020 -0.0131 -0.0184 92 MET A CB 624 C CG . MET A 75 ? 0.2308 0.3018 0.2252 -0.0044 -0.0127 -0.0176 92 MET A CG 625 S SD . MET A 75 ? 0.2551 0.3353 0.2549 -0.0008 -0.0122 -0.0170 92 MET A SD 626 C CE . MET A 75 ? 0.1751 0.2554 0.1751 0.0009 -0.0157 -0.0168 92 MET A CE 627 N N . PRO A 76 ? 0.1756 0.2222 0.1529 -0.0008 -0.0117 -0.0195 93 PRO A N 628 C CA . PRO A 76 ? 0.1735 0.2145 0.1472 0.0015 -0.0121 -0.0205 93 PRO A CA 629 C C . PRO A 76 ? 0.1932 0.2362 0.1693 0.0052 -0.0122 -0.0213 93 PRO A C 630 O O . PRO A 76 ? 0.2044 0.2539 0.1846 0.0062 -0.0115 -0.0212 93 PRO A O 631 C CB . PRO A 76 ? 0.2076 0.2475 0.1787 0.0012 -0.0101 -0.0208 93 PRO A CB 632 C CG . PRO A 76 ? 0.2072 0.2546 0.1814 0.0006 -0.0084 -0.0201 93 PRO A CG 633 C CD . PRO A 76 ? 0.2032 0.2534 0.1813 -0.0015 -0.0094 -0.0188 93 PRO A CD 634 N N . ASP A 77 ? 0.1737 0.2113 0.1480 0.0072 -0.0128 -0.0219 94 ASP A N 635 C CA . ASP A 77 ? 0.1869 0.2254 0.1645 0.0110 -0.0125 -0.0225 94 ASP A CA 636 C C . ASP A 77 ? 0.2015 0.2428 0.1802 0.0125 -0.0098 -0.0249 94 ASP A C 637 O O . ASP A 77 ? 0.2409 0.2796 0.2160 0.0118 -0.0086 -0.0268 94 ASP A O 638 C CB . ASP A 77 ? 0.2298 0.2611 0.2058 0.0125 -0.0134 -0.0225 94 ASP A CB 639 C CG . ASP A 77 ? 0.3406 0.3717 0.3213 0.0165 -0.0129 -0.0227 94 ASP A CG 640 O OD1 . ASP A 77 ? 0.3636 0.3958 0.3464 0.0183 -0.0106 -0.0254 94 ASP A OD1 641 O OD2 . ASP A 77 ? 0.3147 0.3444 0.2973 0.0178 -0.0145 -0.0202 94 ASP A OD2 642 N N . PRO A 78 ? 0.2255 0.2734 0.2091 0.0144 -0.0088 -0.0250 95 PRO A N 643 C CA . PRO A 78 ? 0.2378 0.2901 0.2223 0.0155 -0.0059 -0.0274 95 PRO A CA 644 C C . PRO A 78 ? 0.2471 0.2951 0.2310 0.0182 -0.0042 -0.0312 95 PRO A C 645 O O . PRO A 78 ? 0.3166 0.3670 0.2985 0.0181 -0.0018 -0.0341 95 PRO A O 646 C CB . PRO A 78 ? 0.2355 0.2957 0.2265 0.0173 -0.0054 -0.0262 95 PRO A CB 647 C CG . PRO A 78 ? 0.2761 0.3346 0.2700 0.0186 -0.0079 -0.0239 95 PRO A CG 648 C CD . PRO A 78 ? 0.2181 0.2707 0.2069 0.0156 -0.0103 -0.0227 95 PRO A CD 649 N N . LYS A 79 ? 0.2107 0.2526 0.1964 0.0203 -0.0053 -0.0311 96 LYS A N 650 C CA . LYS A 79 ? 0.2630 0.2996 0.2491 0.0225 -0.0037 -0.0349 96 LYS A CA 651 C C . LYS A 79 ? 0.2725 0.3040 0.2522 0.0198 -0.0041 -0.0368 96 LYS A C 652 O O . LYS A 79 ? 0.3232 0.3541 0.3011 0.0199 -0.0022 -0.0411 96 LYS A O 653 C CB . LYS A 79 ? 0.2970 0.3288 0.2884 0.0256 -0.0047 -0.0334 96 LYS A CB 654 C CG . LYS A 79 ? 0.4211 0.4585 0.4203 0.0292 -0.0039 -0.0319 96 LYS A CG 655 C CD . LYS A 79 ? 0.5812 0.6148 0.5858 0.0320 -0.0054 -0.0284 96 LYS A CD 656 C CE . LYS A 79 ? 0.7465 0.7866 0.7596 0.0358 -0.0047 -0.0262 96 LYS A CE 657 N NZ . LYS A 79 ? 0.7393 0.7767 0.7583 0.0388 -0.0063 -0.0216 96 LYS A NZ 658 N N . ARG A 80 ? 0.1949 0.2235 0.1711 0.0171 -0.0064 -0.0336 97 ARG A N 659 C CA . ARG A 80 ? 0.1806 0.2046 0.1515 0.0147 -0.0070 -0.0344 97 ARG A CA 660 C C . ARG A 80 ? 0.2054 0.2338 0.1719 0.0117 -0.0066 -0.0338 97 ARG A C 661 O O . ARG A 80 ? 0.2043 0.2309 0.1668 0.0101 -0.0065 -0.0351 97 ARG A O 662 C CB . ARG A 80 ? 0.2240 0.2419 0.1940 0.0139 -0.0094 -0.0314 97 ARG A CB 663 C CG . ARG A 80 ? 0.2322 0.2456 0.2068 0.0168 -0.0097 -0.0313 97 ARG A CG 664 C CD . ARG A 80 ? 0.2051 0.2134 0.1787 0.0161 -0.0118 -0.0280 97 ARG A CD 665 N NE . ARG A 80 ? 0.2025 0.2143 0.1765 0.0157 -0.0135 -0.0241 97 ARG A NE 666 C CZ . ARG A 80 ? 0.2054 0.2175 0.1754 0.0129 -0.0148 -0.0224 97 ARG A CZ 667 N NH1 . ARG A 80 ? 0.2443 0.2537 0.2102 0.0105 -0.0145 -0.0233 97 ARG A NH1 668 N NH2 . ARG A 80 ? 0.1986 0.2144 0.1693 0.0125 -0.0163 -0.0198 97 ARG A NH2 669 N N . PHE A 81 ? 0.1784 0.2128 0.1462 0.0109 -0.0063 -0.0317 98 PHE A N 670 C CA . PHE A 81 ? 0.1855 0.2247 0.1505 0.0082 -0.0054 -0.0303 98 PHE A CA 671 C C . PHE A 81 ? 0.2016 0.2493 0.1692 0.0090 -0.0033 -0.0308 98 PHE A C 672 O O . PHE A 81 ? 0.2028 0.2547 0.1727 0.0078 -0.0033 -0.0280 98 PHE A O 673 C CB . PHE A 81 ? 0.2078 0.2455 0.1728 0.0056 -0.0071 -0.0264 98 PHE A CB 674 C CG . PHE A 81 ? 0.2015 0.2319 0.1637 0.0047 -0.0088 -0.0257 98 PHE A CG 675 C CD1 . PHE A 81 ? 0.1976 0.2267 0.1565 0.0026 -0.0087 -0.0247 98 PHE A CD1 676 C CD2 . PHE A 81 ? 0.2126 0.2382 0.1759 0.0060 -0.0103 -0.0257 98 PHE A CD2 677 C CE1 . PHE A 81 ? 0.2395 0.2623 0.1964 0.0019 -0.0100 -0.0241 98 PHE A CE1 678 C CE2 . PHE A 81 ? 0.2240 0.2434 0.1849 0.0051 -0.0116 -0.0249 98 PHE A CE2 679 C CZ . PHE A 81 ? 0.2050 0.2230 0.1628 0.0031 -0.0114 -0.0243 98 PHE A CZ 680 N N . PRO A 82 ? 0.1988 0.2490 0.1663 0.0111 -0.0012 -0.0347 99 PRO A N 681 C CA . PRO A 82 ? 0.1902 0.2485 0.1609 0.0126 0.0011 -0.0357 99 PRO A CA 682 C C . PRO A 82 ? 0.2054 0.2714 0.1749 0.0100 0.0022 -0.0327 99 PRO A C 683 O O . PRO A 82 ? 0.2069 0.2793 0.1805 0.0105 0.0033 -0.0313 99 PRO A O 684 C CB . PRO A 82 ? 0.2233 0.2819 0.1929 0.0147 0.0033 -0.0415 99 PRO A CB 685 C CG . PRO A 82 ? 0.2974 0.3495 0.2626 0.0134 0.0019 -0.0430 99 PRO A CG 686 C CD . PRO A 82 ? 0.2517 0.2971 0.2172 0.0123 -0.0009 -0.0390 99 PRO A CD 687 N N . HIS A 83 ? 0.2034 0.2696 0.1682 0.0074 0.0019 -0.0312 100 HIS A N 688 C CA . HIS A 83 ? 0.2098 0.2838 0.1741 0.0051 0.0033 -0.0275 100 HIS A CA 689 C C . HIS A 83 ? 0.2116 0.2832 0.1784 0.0025 0.0017 -0.0224 100 HIS A C 690 O O . HIS A 83 ? 0.2296 0.3068 0.1979 0.0005 0.0028 -0.0186 100 HIS A O 691 C CB . HIS A 83 ? 0.2271 0.3045 0.1857 0.0037 0.0041 -0.0276 100 HIS A CB 692 C CG . HIS A 83 ? 0.2227 0.3040 0.1785 0.0056 0.0060 -0.0334 100 HIS A CG 693 N ND1 . HIS A 83 ? 0.3199 0.4110 0.2760 0.0065 0.0090 -0.0350 100 HIS A ND1 694 C CD2 . HIS A 83 ? 0.1992 0.2759 0.1519 0.0064 0.0055 -0.0384 100 HIS A CD2 695 C CE1 . HIS A 83 ? 0.1879 0.2802 0.1408 0.0079 0.0103 -0.0413 100 HIS A CE1 696 N NE2 . HIS A 83 ? 0.2891 0.3724 0.2402 0.0078 0.0081 -0.0435 100 HIS A NE2 697 N N . GLY A 84 ? 0.2018 0.2653 0.1693 0.0024 -0.0006 -0.0223 101 GLY A N 698 C CA . GLY A 84 ? 0.2262 0.2870 0.1962 0.0000 -0.0020 -0.0188 101 GLY A CA 699 C C . GLY A 84 ? 0.2084 0.2653 0.1757 -0.0022 -0.0025 -0.0162 101 GLY A C 700 O O . GLY A 84 ? 0.2031 0.2608 0.1665 -0.0022 -0.0020 -0.0164 101 GLY A O 701 N N . ILE A 85 ? 0.1811 0.2343 0.1510 -0.0043 -0.0035 -0.0139 102 ILE A N 702 C CA . ILE A 85 ? 0.1899 0.2381 0.1583 -0.0061 -0.0040 -0.0115 102 ILE A CA 703 C C . ILE A 85 ? 0.1904 0.2436 0.1596 -0.0078 -0.0022 -0.0072 102 ILE A C 704 O O . ILE A 85 ? 0.2192 0.2712 0.1858 -0.0080 -0.0023 -0.0056 102 ILE A O 705 C CB . ILE A 85 ? 0.2089 0.2509 0.1797 -0.0076 -0.0054 -0.0114 102 ILE A CB 706 C CG1 . ILE A 85 ? 0.1849 0.2229 0.1541 -0.0058 -0.0073 -0.0148 102 ILE A CG1 707 C CG2 . ILE A 85 ? 0.2133 0.2503 0.1835 -0.0090 -0.0053 -0.0090 102 ILE A CG2 708 C CD1 . ILE A 85 ? 0.2087 0.2426 0.1732 -0.0038 -0.0080 -0.0167 102 ILE A CD1 709 N N . PRO A 86 ? 0.1997 0.2593 0.1731 -0.0090 -0.0006 -0.0047 103 PRO A N 710 C CA . PRO A 86 ? 0.2115 0.2766 0.1860 -0.0104 0.0012 0.0003 103 PRO A CA 711 C C . PRO A 86 ? 0.1921 0.2624 0.1607 -0.0091 0.0017 0.0000 103 PRO A C 712 O O . PRO A 86 ? 0.1935 0.2656 0.1608 -0.0100 0.0020 0.0040 103 PRO A O 713 C CB . PRO A 86 ? 0.1639 0.2358 0.1437 -0.0115 0.0028 0.0020 103 PRO A CB 714 C CG . PRO A 86 ? 0.2143 0.2815 0.1975 -0.0119 0.0013 -0.0010 103 PRO A CG 715 C CD . PRO A 86 ? 0.1940 0.2560 0.1721 -0.0093 -0.0005 -0.0057 103 PRO A CD 716 N N . PHE A 87 ? 0.1887 0.2616 0.1538 -0.0069 0.0018 -0.0048 104 PHE A N 717 C CA . PHE A 87 ? 0.1810 0.2586 0.1404 -0.0058 0.0022 -0.0069 104 PHE A CA 718 C C . PHE A 87 ? 0.1879 0.2596 0.1437 -0.0061 0.0004 -0.0070 104 PHE A C 719 O O . PHE A 87 ? 0.1989 0.2753 0.1514 -0.0068 0.0005 -0.0051 104 PHE A O 720 C CB . PHE A 87 ? 0.1988 0.2771 0.1566 -0.0032 0.0026 -0.0133 104 PHE A CB 721 C CG . PHE A 87 ? 0.2140 0.2942 0.1660 -0.0022 0.0026 -0.0176 104 PHE A CG 722 C CD1 . PHE A 87 ? 0.2274 0.3179 0.1764 -0.0021 0.0048 -0.0185 104 PHE A CD1 723 C CD2 . PHE A 87 ? 0.2080 0.2800 0.1576 -0.0016 0.0006 -0.0208 104 PHE A CD2 724 C CE1 . PHE A 87 ? 0.2503 0.3431 0.1937 -0.0016 0.0048 -0.0233 104 PHE A CE1 725 C CE2 . PHE A 87 ? 0.2698 0.3437 0.2147 -0.0012 0.0007 -0.0252 104 PHE A CE2 726 C CZ . PHE A 87 ? 0.2786 0.3627 0.2204 -0.0012 0.0027 -0.0268 104 PHE A CZ 727 N N . LEU A 88 ? 0.1808 0.2430 0.1374 -0.0056 -0.0013 -0.0092 105 LEU A N 728 C CA . LEU A 88 ? 0.1795 0.2359 0.1334 -0.0058 -0.0030 -0.0095 105 LEU A CA 729 C C . LEU A 88 ? 0.1955 0.2514 0.1515 -0.0077 -0.0030 -0.0034 105 LEU A C 730 O O . LEU A 88 ? 0.2118 0.2697 0.1652 -0.0081 -0.0035 -0.0016 105 LEU A O 731 C CB . LEU A 88 ? 0.2082 0.2554 0.1629 -0.0048 -0.0047 -0.0129 105 LEU A CB 732 C CG . LEU A 88 ? 0.2581 0.2994 0.2101 -0.0047 -0.0063 -0.0140 105 LEU A CG 733 C CD1 . LEU A 88 ? 0.2554 0.3001 0.2031 -0.0041 -0.0064 -0.0172 105 LEU A CD1 734 C CD2 . LEU A 88 ? 0.2532 0.2866 0.2063 -0.0035 -0.0076 -0.0166 105 LEU A CD2 735 N N . ALA A 89 ? 0.1923 0.2465 0.1536 -0.0089 -0.0023 -0.0002 106 ALA A N 736 C CA . ALA A 89 ? 0.1840 0.2376 0.1490 -0.0105 -0.0016 0.0058 106 ALA A CA 737 C C . ALA A 89 ? 0.1739 0.2372 0.1379 -0.0110 -0.0004 0.0106 106 ALA A C 738 O O . ALA A 89 ? 0.1934 0.2578 0.1574 -0.0115 -0.0006 0.0149 106 ALA A O 739 C CB . ALA A 89 ? 0.1898 0.2402 0.1616 -0.0119 -0.0006 0.0076 106 ALA A CB 740 N N . ASP A 90 ? 0.1734 0.2447 0.1366 -0.0109 0.0009 0.0103 107 ASP A N 741 C CA . ASP A 90 ? 0.1590 0.2413 0.1207 -0.0114 0.0022 0.0149 107 ASP A CA 742 C C . ASP A 90 ? 0.2072 0.2933 0.1618 -0.0108 0.0009 0.0126 107 ASP A C 743 O O . ASP A 90 ? 0.1847 0.2773 0.1382 -0.0116 0.0010 0.0178 107 ASP A O 744 C CB . ASP A 90 ? 0.1966 0.2869 0.1588 -0.0113 0.0042 0.0142 107 ASP A CB 745 C CG . ASP A 90 ? 0.1860 0.2747 0.1562 -0.0127 0.0056 0.0179 107 ASP A CG 746 O OD1 . ASP A 90 ? 0.2184 0.3005 0.1938 -0.0140 0.0054 0.0215 107 ASP A OD1 747 O OD2 . ASP A 90 ? 0.2046 0.2991 0.1763 -0.0127 0.0072 0.0171 107 ASP A OD2 748 N N . TYR A 91 ? 0.1980 0.2803 0.1484 -0.0095 -0.0001 0.0052 108 TYR A N 749 C CA . TYR A 91 ? 0.1991 0.2844 0.1435 -0.0093 -0.0015 0.0022 108 TYR A CA 750 C C . TYR A 91 ? 0.1976 0.2787 0.1428 -0.0101 -0.0032 0.0059 108 TYR A C 751 O O . TYR A 91 ? 0.1939 0.2818 0.1363 -0.0109 -0.0039 0.0088 108 TYR A O 752 C CB . TYR A 91 ? 0.2189 0.2986 0.1606 -0.0078 -0.0023 -0.0063 108 TYR A CB 753 C CG . TYR A 91 ? 0.2177 0.3009 0.1536 -0.0081 -0.0033 -0.0105 108 TYR A CG 754 C CD1 . TYR A 91 ? 0.2748 0.3694 0.2063 -0.0084 -0.0021 -0.0125 108 TYR A CD1 755 C CD2 . TYR A 91 ? 0.2018 0.2778 0.1367 -0.0082 -0.0054 -0.0128 108 TYR A CD2 756 C CE1 . TYR A 91 ? 0.2814 0.3799 0.2076 -0.0091 -0.0031 -0.0172 108 TYR A CE1 757 C CE2 . TYR A 91 ? 0.2074 0.2869 0.1376 -0.0089 -0.0065 -0.0171 108 TYR A CE2 758 C CZ . TYR A 91 ? 0.2931 0.3838 0.2189 -0.0094 -0.0054 -0.0197 108 TYR A CZ 759 O OH . TYR A 91 ? 0.2915 0.3865 0.2125 -0.0106 -0.0065 -0.0248 108 TYR A OH 760 N N . VAL A 92 ? 0.1896 0.2599 0.1384 -0.0098 -0.0040 0.0058 109 VAL A N 761 C CA . VAL A 92 ? 0.2162 0.2817 0.1664 -0.0102 -0.0053 0.0088 109 VAL A CA 762 C C . VAL A 92 ? 0.1967 0.2677 0.1509 -0.0112 -0.0044 0.0175 109 VAL A C 763 O O . VAL A 92 ? 0.2042 0.2788 0.1576 -0.0116 -0.0054 0.0212 109 VAL A O 764 C CB . VAL A 92 ? 0.2740 0.3275 0.2274 -0.0096 -0.0058 0.0063 109 VAL A CB 765 C CG1 . VAL A 92 ? 0.4427 0.4909 0.3998 -0.0100 -0.0061 0.0103 109 VAL A CG1 766 C CG2 . VAL A 92 ? 0.2129 0.2622 0.1624 -0.0086 -0.0071 -0.0009 109 VAL A CG2 767 N N . HIS A 93 ? 0.2044 0.2770 0.1632 -0.0117 -0.0024 0.0214 110 HIS A N 768 C CA . HIS A 93 ? 0.1999 0.2778 0.1637 -0.0125 -0.0011 0.0305 110 HIS A CA 769 C C . HIS A 93 ? 0.1949 0.2864 0.1542 -0.0129 -0.0013 0.0340 110 HIS A C 770 O O . HIS A 93 ? 0.2178 0.3144 0.1794 -0.0133 -0.0015 0.0415 110 HIS A O 771 C CB . HIS A 93 ? 0.2140 0.2914 0.1842 -0.0133 0.0010 0.0336 110 HIS A CB 772 C CG . HIS A 93 ? 0.2108 0.2764 0.1864 -0.0135 0.0013 0.0310 110 HIS A CG 773 N ND1 . HIS A 93 ? 0.2582 0.3143 0.2349 -0.0130 0.0003 0.0289 110 HIS A ND1 774 C CD2 . HIS A 93 ? 0.1520 0.2148 0.1323 -0.0143 0.0027 0.0301 110 HIS A CD2 775 C CE1 . HIS A 93 ? 0.1666 0.2147 0.1478 -0.0136 0.0009 0.0264 110 HIS A CE1 776 N NE2 . HIS A 93 ? 0.2843 0.3362 0.2678 -0.0145 0.0022 0.0271 110 HIS A NE2 777 N N . SER A 94 ? 0.1934 0.2914 0.1462 -0.0128 -0.0013 0.0287 111 SER A N 778 C CA . SER A 94 ? 0.1895 0.3019 0.1369 -0.0134 -0.0014 0.0310 111 SER A CA 779 C C . SER A 94 ? 0.2103 0.3247 0.1540 -0.0137 -0.0039 0.0307 111 SER A C 780 O O . SER A 94 ? 0.2317 0.3585 0.1723 -0.0146 -0.0045 0.0350 111 SER A O 781 C CB . SER A 94 ? 0.2028 0.3218 0.1442 -0.0132 -0.0005 0.0241 111 SER A CB 782 O OG . SER A 94 ? 0.2126 0.3264 0.1491 -0.0125 -0.0020 0.0148 111 SER A OG 783 N N . LEU A 95 ? 0.1882 0.2915 0.1320 -0.0132 -0.0055 0.0256 112 LEU A N 784 C CA . LEU A 95 ? 0.2051 0.3085 0.1467 -0.0136 -0.0079 0.0252 112 LEU A CA 785 C C . LEU A 95 ? 0.1984 0.2971 0.1466 -0.0133 -0.0084 0.0324 112 LEU A C 786 O O . LEU A 95 ? 0.2209 0.3184 0.1683 -0.0135 -0.0103 0.0318 112 LEU A O 787 C CB . LEU A 95 ? 0.1887 0.2837 0.1268 -0.0132 -0.0093 0.0155 112 LEU A CB 788 C CG . LEU A 95 ? 0.2285 0.3278 0.1607 -0.0132 -0.0089 0.0075 112 LEU A CG 789 C CD1 . LEU A 95 ? 0.2488 0.3374 0.1799 -0.0125 -0.0100 -0.0008 112 LEU A CD1 790 C CD2 . LEU A 95 ? 0.3128 0.4268 0.2391 -0.0147 -0.0096 0.0075 112 LEU A CD2 791 N N . GLY A 96 ? 0.2203 0.3162 0.1756 -0.0130 -0.0064 0.0389 113 GLY A N 792 C CA . GLY A 96 ? 0.1975 0.2886 0.1604 -0.0125 -0.0061 0.0459 113 GLY A CA 793 C C . GLY A 96 ? 0.2280 0.3049 0.1935 -0.0117 -0.0064 0.0410 113 GLY A C 794 O O . GLY A 96 ? 0.2255 0.2983 0.1957 -0.0111 -0.0065 0.0446 113 GLY A O 795 N N . LEU A 97 ? 0.1951 0.2651 0.1576 -0.0115 -0.0063 0.0331 114 LEU A N 796 C CA . LEU A 97 ? 0.1790 0.2368 0.1430 -0.0108 -0.0066 0.0283 114 LEU A CA 797 C C . LEU A 97 ? 0.2279 0.2786 0.1967 -0.0109 -0.0046 0.0276 114 LEU A C 798 O O . LEU A 97 ? 0.2238 0.2788 0.1948 -0.0114 -0.0031 0.0303 114 LEU A O 799 C CB . LEU A 97 ? 0.1841 0.2398 0.1412 -0.0107 -0.0083 0.0199 114 LEU A CB 800 C CG . LEU A 97 ? 0.2191 0.2812 0.1714 -0.0112 -0.0104 0.0189 114 LEU A CG 801 C CD1 . LEU A 97 ? 0.2672 0.3273 0.2138 -0.0112 -0.0115 0.0102 114 LEU A CD1 802 C CD2 . LEU A 97 ? 0.2553 0.3135 0.2105 -0.0110 -0.0114 0.0214 114 LEU A CD2 803 N N . LYS A 98 ? 0.1911 0.2318 0.1618 -0.0104 -0.0046 0.0240 115 LYS A N 804 C CA . LYS A 98 ? 0.1602 0.1937 0.1350 -0.0108 -0.0032 0.0220 115 LYS A CA 805 C C . LYS A 98 ? 0.2082 0.2366 0.1785 -0.0104 -0.0044 0.0144 115 LYS A C 806 O O . LYS A 98 ? 0.2185 0.2449 0.1847 -0.0096 -0.0060 0.0111 115 LYS A O 807 C CB . LYS A 98 ? 0.2020 0.2287 0.1839 -0.0107 -0.0018 0.0250 115 LYS A CB 808 C CG . LYS A 98 ? 0.2771 0.3084 0.2656 -0.0109 -0.0001 0.0336 115 LYS A CG 809 C CD . LYS A 98 ? 0.2939 0.3178 0.2911 -0.0107 0.0018 0.0364 115 LYS A CD 810 C CE . LYS A 98 ? 0.3732 0.4023 0.3782 -0.0107 0.0037 0.0460 115 LYS A CE 811 N NZ . LYS A 98 ? 0.4906 0.5118 0.5062 -0.0106 0.0065 0.0488 115 LYS A NZ 812 N N . LEU A 99 ? 0.1917 0.2186 0.1633 -0.0109 -0.0037 0.0119 116 LEU A N 813 C CA . LEU A 99 ? 0.1882 0.2116 0.1562 -0.0103 -0.0049 0.0056 116 LEU A CA 814 C C . LEU A 99 ? 0.1993 0.2150 0.1703 -0.0108 -0.0046 0.0032 116 LEU A C 815 O O . LEU A 99 ? 0.1911 0.2057 0.1673 -0.0121 -0.0032 0.0045 116 LEU A O 816 C CB . LEU A 99 ? 0.1926 0.2211 0.1594 -0.0103 -0.0047 0.0038 116 LEU A CB 817 C CG . LEU A 99 ? 0.1855 0.2117 0.1491 -0.0093 -0.0059 -0.0019 116 LEU A CG 818 C CD1 . LEU A 99 ? 0.2057 0.2323 0.1641 -0.0079 -0.0073 -0.0046 116 LEU A CD1 819 C CD2 . LEU A 99 ? 0.2019 0.2329 0.1668 -0.0094 -0.0052 -0.0030 116 LEU A CD2 820 N N . GLY A 100 ? 0.1608 0.1718 0.1286 -0.0100 -0.0058 -0.0002 117 GLY A N 821 C CA . GLY A 100 ? 0.1598 0.1650 0.1289 -0.0104 -0.0058 -0.0033 117 GLY A CA 822 C C . GLY A 100 ? 0.1893 0.1953 0.1554 -0.0099 -0.0071 -0.0074 117 GLY A C 823 O O . GLY A 100 ? 0.1811 0.1897 0.1436 -0.0087 -0.0083 -0.0086 117 GLY A O 824 N N . ILE A 101 ? 0.1706 0.1745 0.1386 -0.0110 -0.0070 -0.0097 118 ILE A N 825 C CA . ILE A 101 ? 0.1876 0.1927 0.1534 -0.0106 -0.0085 -0.0130 118 ILE A CA 826 C C . ILE A 101 ? 0.2018 0.2031 0.1670 -0.0112 -0.0089 -0.0156 118 ILE A C 827 O O . ILE A 101 ? 0.1811 0.1785 0.1476 -0.0119 -0.0078 -0.0154 118 ILE A O 828 C CB . ILE A 101 ? 0.1909 0.2011 0.1596 -0.0115 -0.0082 -0.0129 118 ILE A CB 829 C CG1 . ILE A 101 ? 0.2206 0.2341 0.1871 -0.0100 -0.0097 -0.0152 118 ILE A CG1 830 C CG2 . ILE A 101 ? 0.2076 0.2165 0.1812 -0.0141 -0.0072 -0.0136 118 ILE A CG2 831 C CD1 . ILE A 101 ? 0.2087 0.2285 0.1772 -0.0099 -0.0091 -0.0143 118 ILE A CD1 832 N N . TYR A 102 ? 0.1831 0.1862 0.1462 -0.0107 -0.0105 -0.0180 119 TYR A N 833 C CA . TYR A 102 ? 0.2140 0.2153 0.1750 -0.0110 -0.0113 -0.0203 119 TYR A CA 834 C C . TYR A 102 ? 0.1856 0.1909 0.1476 -0.0122 -0.0124 -0.0224 119 TYR A C 835 O O . TYR A 102 ? 0.1796 0.1894 0.1427 -0.0116 -0.0132 -0.0220 119 TYR A O 836 C CB . TYR A 102 ? 0.1935 0.1938 0.1504 -0.0086 -0.0126 -0.0197 119 TYR A CB 837 C CG . TYR A 102 ? 0.1747 0.1752 0.1290 -0.0084 -0.0139 -0.0212 119 TYR A CG 838 C CD1 . TYR A 102 ? 0.1998 0.1968 0.1520 -0.0084 -0.0133 -0.0213 119 TYR A CD1 839 C CD2 . TYR A 102 ? 0.1876 0.1923 0.1415 -0.0080 -0.0155 -0.0218 119 TYR A CD2 840 C CE1 . TYR A 102 ? 0.1789 0.1771 0.1282 -0.0083 -0.0143 -0.0221 119 TYR A CE1 841 C CE2 . TYR A 102 ? 0.1752 0.1814 0.1265 -0.0079 -0.0167 -0.0224 119 TYR A CE2 842 C CZ . TYR A 102 ? 0.1670 0.1701 0.1157 -0.0081 -0.0161 -0.0226 119 TYR A CZ 843 O OH . TYR A 102 ? 0.1998 0.2058 0.1455 -0.0080 -0.0173 -0.0228 119 TYR A OH 844 N N . ALA A 103 ? 0.1719 0.1765 0.1339 -0.0140 -0.0124 -0.0251 120 ALA A N 845 C CA . ALA A 103 ? 0.1772 0.1865 0.1394 -0.0155 -0.0139 -0.0275 120 ALA A CA 846 C C . ALA A 103 ? 0.1783 0.1869 0.1370 -0.0162 -0.0143 -0.0301 120 ALA A C 847 O O . ALA A 103 ? 0.1892 0.1933 0.1463 -0.0157 -0.0130 -0.0300 120 ALA A O 848 C CB . ALA A 103 ? 0.1709 0.1817 0.1386 -0.0186 -0.0129 -0.0290 120 ALA A CB 849 N N . ASP A 104 ? 0.1756 0.1898 0.1331 -0.0174 -0.0162 -0.0322 121 ASP A N 850 C CA . ASP A 104 ? 0.2209 0.2364 0.1746 -0.0184 -0.0166 -0.0349 121 ASP A CA 851 C C . ASP A 104 ? 0.2145 0.2339 0.1698 -0.0222 -0.0169 -0.0396 121 ASP A C 852 O O . ASP A 104 ? 0.2155 0.2410 0.1728 -0.0233 -0.0188 -0.0399 121 ASP A O 853 C CB . ASP A 104 ? 0.2025 0.2223 0.1519 -0.0160 -0.0190 -0.0323 121 ASP A CB 854 C CG . ASP A 104 ? 0.1910 0.2131 0.1357 -0.0167 -0.0194 -0.0341 121 ASP A CG 855 O OD1 . ASP A 104 ? 0.1993 0.2264 0.1433 -0.0196 -0.0201 -0.0380 121 ASP A OD1 856 O OD2 . ASP A 104 ? 0.2011 0.2206 0.1427 -0.0147 -0.0190 -0.0318 121 ASP A OD2 857 N N . MET A 105 ? 0.1971 0.2133 0.1519 -0.0242 -0.0151 -0.0436 122 MET A N 858 C CA . MET A 105 ? 0.2293 0.2488 0.1853 -0.0282 -0.0151 -0.0495 122 MET A CA 859 C C . MET A 105 ? 0.2481 0.2761 0.1981 -0.0285 -0.0178 -0.0508 122 MET A C 860 O O . MET A 105 ? 0.2807 0.3086 0.2259 -0.0283 -0.0171 -0.0525 122 MET A O 861 C CB . MET A 105 ? 0.2239 0.2364 0.1820 -0.0298 -0.0116 -0.0535 122 MET A CB 862 C CG . MET A 105 ? 0.2776 0.2919 0.2378 -0.0343 -0.0109 -0.0608 122 MET A CG 863 S SD . MET A 105 ? 0.3158 0.3313 0.2847 -0.0375 -0.0113 -0.0616 122 MET A SD 864 C CE . MET A 105 ? 0.2788 0.3069 0.2435 -0.0399 -0.0155 -0.0645 122 MET A CE 865 N N . GLY A 106 ? 0.2152 0.2511 0.1655 -0.0287 -0.0208 -0.0493 123 GLY A N 866 C CA . GLY A 106 ? 0.1996 0.2448 0.1447 -0.0282 -0.0238 -0.0484 123 GLY A CA 867 C C . GLY A 106 ? 0.2310 0.2830 0.1784 -0.0267 -0.0267 -0.0442 123 GLY A C 868 O O . GLY A 106 ? 0.2247 0.2743 0.1774 -0.0262 -0.0261 -0.0427 123 GLY A O 869 N N . ASN A 107 ? 0.2319 0.2933 0.1759 -0.0259 -0.0296 -0.0422 124 ASN A N 870 C CA . ASN A 107 ? 0.2403 0.3094 0.1873 -0.0243 -0.0324 -0.0381 124 ASN A CA 871 C C . ASN A 107 ? 0.2143 0.2784 0.1638 -0.0196 -0.0317 -0.0323 124 ASN A C 872 O O . ASN A 107 ? 0.2159 0.2828 0.1701 -0.0184 -0.0325 -0.0301 124 ASN A O 873 C CB . ASN A 107 ? 0.2077 0.2883 0.1507 -0.0241 -0.0356 -0.0362 124 ASN A CB 874 C CG . ASN A 107 ? 0.4008 0.4905 0.3424 -0.0292 -0.0373 -0.0421 124 ASN A CG 875 O OD1 . ASN A 107 ? 0.3328 0.4194 0.2768 -0.0331 -0.0358 -0.0482 124 ASN A OD1 876 N ND2 . ASN A 107 ? 0.5415 0.6430 0.4795 -0.0292 -0.0404 -0.0401 124 ASN A ND2 877 N N . PHE A 108 ? 0.2105 0.2673 0.1569 -0.0171 -0.0301 -0.0302 125 PHE A N 878 C CA . PHE A 108 ? 0.1994 0.2511 0.1475 -0.0129 -0.0294 -0.0254 125 PHE A CA 879 C C . PHE A 108 ? 0.2232 0.2645 0.1695 -0.0124 -0.0267 -0.0260 125 PHE A C 880 O O . PHE A 108 ? 0.2004 0.2396 0.1434 -0.0142 -0.0255 -0.0288 125 PHE A O 881 C CB . PHE A 108 ? 0.2045 0.2608 0.1511 -0.0096 -0.0314 -0.0202 125 PHE A CB 882 C CG . PHE A 108 ? 0.2261 0.2938 0.1745 -0.0097 -0.0344 -0.0183 125 PHE A CG 883 C CD1 . PHE A 108 ? 0.2841 0.3610 0.2286 -0.0116 -0.0366 -0.0187 125 PHE A CD1 884 C CD2 . PHE A 108 ? 0.2757 0.3460 0.2299 -0.0078 -0.0350 -0.0163 125 PHE A CD2 885 C CE1 . PHE A 108 ? 0.3909 0.4796 0.3374 -0.0118 -0.0396 -0.0167 125 PHE A CE1 886 C CE2 . PHE A 108 ? 0.3815 0.4632 0.3383 -0.0077 -0.0378 -0.0142 125 PHE A CE2 887 C CZ . PHE A 108 ? 0.4093 0.5003 0.3623 -0.0097 -0.0403 -0.0142 125 PHE A CZ 888 N N . THR A 109 ? 0.2070 0.2426 0.1556 -0.0098 -0.0255 -0.0236 126 THR A N 889 C CA . THR A 109 ? 0.1949 0.2223 0.1416 -0.0088 -0.0235 -0.0230 126 THR A CA 890 C C . THR A 109 ? 0.1889 0.2170 0.1320 -0.0070 -0.0243 -0.0201 126 THR A C 891 O O . THR A 109 ? 0.2020 0.2367 0.1446 -0.0059 -0.0264 -0.0177 126 THR A O 892 C CB . THR A 109 ? 0.1783 0.2004 0.1278 -0.0066 -0.0223 -0.0213 126 THR A CB 893 O OG1 . THR A 109 ? 0.1872 0.2107 0.1377 -0.0034 -0.0234 -0.0179 126 THR A OG1 894 C CG2 . THR A 109 ? 0.2074 0.2308 0.1609 -0.0081 -0.0216 -0.0230 126 THR A CG2 895 N N . CYS A 110 ? 0.1823 0.2045 0.1233 -0.0066 -0.0226 -0.0198 127 CYS A N 896 C CA . CYS A 110 ? 0.1746 0.1973 0.1126 -0.0051 -0.0230 -0.0166 127 CYS A CA 897 C C . CYS A 110 ? 0.2033 0.2272 0.1437 -0.0019 -0.0245 -0.0118 127 CYS A C 898 O O . CYS A 110 ? 0.2244 0.2524 0.1634 -0.0008 -0.0256 -0.0083 127 CYS A O 899 C CB . CYS A 110 ? 0.2320 0.2476 0.1686 -0.0051 -0.0208 -0.0168 127 CYS A CB 900 S SG . CYS A 110 ? 0.2629 0.2770 0.1976 -0.0084 -0.0186 -0.0222 127 CYS A SG 901 N N . MET A 111 ? 0.2062 0.2267 0.1506 -0.0003 -0.0241 -0.0115 128 MET A N 902 C CA . MET A 111 ? 0.2127 0.2333 0.1606 0.0028 -0.0249 -0.0077 128 MET A CA 903 C C . MET A 111 ? 0.2408 0.2689 0.1918 0.0036 -0.0267 -0.0067 128 MET A C 904 O O . MET A 111 ? 0.2291 0.2577 0.1842 0.0066 -0.0272 -0.0038 128 MET A O 905 C CB . MET A 111 ? 0.2209 0.2343 0.1714 0.0041 -0.0234 -0.0083 128 MET A CB 906 C CG . MET A 111 ? 0.2433 0.2502 0.1920 0.0037 -0.0221 -0.0081 128 MET A CG 907 S SD . MET A 111 ? 0.2827 0.2899 0.2306 0.0051 -0.0227 -0.0031 128 MET A SD 908 C CE . MET A 111 ? 0.3995 0.4066 0.3537 0.0087 -0.0235 0.0001 128 MET A CE 909 N N . GLY A 112 ? 0.1909 0.2248 0.1404 0.0010 -0.0276 -0.0093 129 GLY A N 910 C CA . GLY A 112 ? 0.2291 0.2721 0.1812 0.0013 -0.0297 -0.0082 129 GLY A CA 911 C C . GLY A 112 ? 0.1907 0.2347 0.1472 0.0013 -0.0293 -0.0102 129 GLY A C 912 O O . GLY A 112 ? 0.2509 0.3023 0.2109 0.0021 -0.0309 -0.0087 129 GLY A O 913 N N . TYR A 113 ? 0.2002 0.2377 0.1567 0.0001 -0.0272 -0.0132 130 TYR A N 914 C CA . TYR A 113 ? 0.2003 0.2390 0.1605 -0.0003 -0.0264 -0.0151 130 TYR A CA 915 C C . TYR A 113 ? 0.2046 0.2484 0.1647 -0.0042 -0.0271 -0.0181 130 TYR A C 916 O O . TYR A 113 ? 0.2066 0.2513 0.1632 -0.0065 -0.0277 -0.0197 130 TYR A O 917 C CB . TYR A 113 ? 0.2083 0.2392 0.1684 0.0000 -0.0240 -0.0163 130 TYR A CB 918 C CG . TYR A 113 ? 0.2550 0.2820 0.2165 0.0036 -0.0234 -0.0143 130 TYR A CG 919 C CD1 . TYR A 113 ? 0.2556 0.2833 0.2209 0.0056 -0.0225 -0.0145 130 TYR A CD1 920 C CD2 . TYR A 113 ? 0.2049 0.2277 0.1643 0.0048 -0.0236 -0.0123 130 TYR A CD2 921 C CE1 . TYR A 113 ? 0.3029 0.3268 0.2701 0.0088 -0.0217 -0.0135 130 TYR A CE1 922 C CE2 . TYR A 113 ? 0.2183 0.2374 0.1800 0.0078 -0.0231 -0.0107 130 TYR A CE2 923 C CZ . TYR A 113 ? 0.2806 0.3000 0.2463 0.0098 -0.0221 -0.0116 130 TYR A CZ 924 O OH . TYR A 113 ? 0.2931 0.3081 0.2617 0.0126 -0.0212 -0.0109 130 TYR A OH 925 N N . PRO A 114 ? 0.1931 0.2405 0.1574 -0.0050 -0.0269 -0.0191 131 PRO A N 926 C CA . PRO A 114 ? 0.1783 0.2307 0.1437 -0.0091 -0.0276 -0.0221 131 PRO A CA 927 C C . PRO A 114 ? 0.1958 0.2425 0.1586 -0.0125 -0.0260 -0.0255 131 PRO A C 928 O O . PRO A 114 ? 0.1905 0.2299 0.1533 -0.0122 -0.0238 -0.0257 131 PRO A O 929 C CB . PRO A 114 ? 0.2029 0.2583 0.1738 -0.0092 -0.0267 -0.0220 131 PRO A CB 930 C CG . PRO A 114 ? 0.2419 0.2979 0.2148 -0.0044 -0.0266 -0.0187 131 PRO A CG 931 C CD . PRO A 114 ? 0.2578 0.3060 0.2265 -0.0023 -0.0259 -0.0176 131 PRO A CD 932 N N . GLY A 115 ? 0.2116 0.2620 0.1725 -0.0156 -0.0272 -0.0284 132 GLY A N 933 C CA . GLY A 115 ? 0.2044 0.2496 0.1636 -0.0187 -0.0256 -0.0323 132 GLY A CA 934 C C . GLY A 115 ? 0.1953 0.2402 0.1594 -0.0224 -0.0244 -0.0355 132 GLY A C 935 O O . GLY A 115 ? 0.2203 0.2714 0.1887 -0.0234 -0.0254 -0.0352 132 GLY A O 936 N N . THR A 116 ? 0.1965 0.2344 0.1607 -0.0243 -0.0220 -0.0381 133 THR A N 937 C CA . THR A 116 ? 0.1959 0.2322 0.1654 -0.0281 -0.0204 -0.0413 133 THR A CA 938 C C . THR A 116 ? 0.2151 0.2542 0.1831 -0.0319 -0.0211 -0.0471 133 THR A C 939 O O . THR A 116 ? 0.2267 0.2605 0.1927 -0.0328 -0.0193 -0.0500 133 THR A O 940 C CB . THR A 116 ? 0.2284 0.2555 0.2002 -0.0276 -0.0171 -0.0401 133 THR A CB 941 O OG1 . THR A 116 ? 0.2001 0.2265 0.1725 -0.0244 -0.0168 -0.0352 133 THR A OG1 942 C CG2 . THR A 116 ? 0.2160 0.2409 0.1946 -0.0316 -0.0152 -0.0428 133 THR A CG2 943 N N . THR A 117 ? 0.2376 0.2860 0.2064 -0.0341 -0.0237 -0.0488 134 THR A N 944 C CA . THR A 117 ? 0.2303 0.2832 0.1979 -0.0384 -0.0247 -0.0549 134 THR A CA 945 C C . THR A 117 ? 0.2105 0.2586 0.1847 -0.0428 -0.0222 -0.0598 134 THR A C 946 O O . THR A 117 ? 0.2409 0.2838 0.2209 -0.0425 -0.0202 -0.0573 134 THR A O 947 C CB . THR A 117 ? 0.2442 0.3099 0.2115 -0.0395 -0.0286 -0.0548 134 THR A CB 948 O OG1 . THR A 117 ? 0.2537 0.3222 0.2276 -0.0395 -0.0290 -0.0521 134 THR A OG1 949 C CG2 . THR A 117 ? 0.2760 0.3467 0.2373 -0.0353 -0.0309 -0.0501 134 THR A CG2 950 N N . LEU A 118 ? 0.2237 0.2735 0.1972 -0.0470 -0.0222 -0.0669 135 LEU A N 951 C CA . LEU A 118 ? 0.2546 0.2986 0.2353 -0.0513 -0.0194 -0.0719 135 LEU A CA 952 C C . LEU A 118 ? 0.2545 0.3010 0.2436 -0.0534 -0.0198 -0.0700 135 LEU A C 953 O O . LEU A 118 ? 0.2463 0.2853 0.2426 -0.0545 -0.0168 -0.0694 135 LEU A O 954 C CB . LEU A 118 ? 0.2590 0.3061 0.2380 -0.0561 -0.0196 -0.0810 135 LEU A CB 955 C CG . LEU A 118 ? 0.2359 0.2787 0.2082 -0.0547 -0.0178 -0.0839 135 LEU A CG 956 C CD1 . LEU A 118 ? 0.3018 0.3512 0.2708 -0.0594 -0.0187 -0.0932 135 LEU A CD1 957 C CD2 . LEU A 118 ? 0.2836 0.3130 0.2605 -0.0534 -0.0131 -0.0837 135 LEU A CD2 958 N N . ASP A 119 ? 0.2543 0.3119 0.2429 -0.0537 -0.0234 -0.0685 136 ASP A N 959 C CA . ASP A 119 ? 0.2390 0.3005 0.2358 -0.0558 -0.0238 -0.0667 136 ASP A CA 960 C C . ASP A 119 ? 0.2461 0.3040 0.2456 -0.0516 -0.0223 -0.0590 136 ASP A C 961 O O . ASP A 119 ? 0.2525 0.3134 0.2590 -0.0530 -0.0220 -0.0570 136 ASP A O 962 C CB . ASP A 119 ? 0.2793 0.3548 0.2758 -0.0580 -0.0281 -0.0680 136 ASP A CB 963 C CG . ASP A 119 ? 0.4009 0.4835 0.3921 -0.0528 -0.0308 -0.0618 136 ASP A CG 964 O OD1 . ASP A 119 ? 0.4694 0.5462 0.4562 -0.0479 -0.0297 -0.0575 136 ASP A OD1 965 O OD2 . ASP A 119 ? 0.5793 0.6738 0.5714 -0.0540 -0.0343 -0.0615 136 ASP A OD2 966 N N . LYS A 120 ? 0.1984 0.2504 0.1925 -0.0467 -0.0212 -0.0551 137 LYS A N 967 C CA . LYS A 120 ? 0.2138 0.2622 0.2093 -0.0427 -0.0196 -0.0486 137 LYS A CA 968 C C . LYS A 120 ? 0.2245 0.2621 0.2215 -0.0419 -0.0159 -0.0473 137 LYS A C 969 O O . LYS A 120 ? 0.1974 0.2326 0.1957 -0.0392 -0.0145 -0.0422 137 LYS A O 970 C CB . LYS A 120 ? 0.2267 0.2783 0.2158 -0.0375 -0.0214 -0.0444 137 LYS A CB 971 C CG . LYS A 120 ? 0.3051 0.3681 0.2938 -0.0373 -0.0250 -0.0438 137 LYS A CG 972 C CD . LYS A 120 ? 0.3174 0.3860 0.3130 -0.0378 -0.0249 -0.0412 137 LYS A CD 973 C CE . LYS A 120 ? 0.3712 0.4512 0.3667 -0.0361 -0.0282 -0.0393 137 LYS A CE 974 N NZ . LYS A 120 ? 0.4793 0.5663 0.4720 -0.0388 -0.0314 -0.0431 137 LYS A NZ 975 N N . VAL A 121 ? 0.2169 0.2484 0.2136 -0.0440 -0.0144 -0.0518 138 VAL A N 976 C CA . VAL A 121 ? 0.2129 0.2345 0.2113 -0.0428 -0.0110 -0.0503 138 VAL A CA 977 C C . VAL A 121 ? 0.2304 0.2493 0.2373 -0.0437 -0.0086 -0.0463 138 VAL A C 978 O O . VAL A 121 ? 0.2199 0.2352 0.2265 -0.0406 -0.0071 -0.0410 138 VAL A O 979 C CB . VAL A 121 ? 0.2201 0.2361 0.2189 -0.0454 -0.0093 -0.0567 138 VAL A CB 980 C CG1 . VAL A 121 ? 0.2477 0.2535 0.2522 -0.0450 -0.0052 -0.0548 138 VAL A CG1 981 C CG2 . VAL A 121 ? 0.2244 0.2420 0.2136 -0.0434 -0.0109 -0.0588 138 VAL A CG2 982 N N . VAL A 122 ? 0.2196 0.2409 0.2340 -0.0481 -0.0083 -0.0487 139 VAL A N 983 C CA . VAL A 122 ? 0.2070 0.2257 0.2302 -0.0493 -0.0056 -0.0445 139 VAL A CA 984 C C . VAL A 122 ? 0.1927 0.2172 0.2148 -0.0461 -0.0063 -0.0377 139 VAL A C 985 O O . VAL A 122 ? 0.2445 0.2660 0.2683 -0.0440 -0.0042 -0.0321 139 VAL A O 986 C CB . VAL A 122 ? 0.2358 0.2558 0.2683 -0.0551 -0.0050 -0.0486 139 VAL A CB 987 C CG1 . VAL A 122 ? 0.2681 0.2877 0.3101 -0.0561 -0.0026 -0.0428 139 VAL A CG1 988 C CG2 . VAL A 122 ? 0.2618 0.2740 0.2968 -0.0580 -0.0031 -0.0554 139 VAL A CG2 989 N N . GLN A 123 ? 0.2298 0.2631 0.2489 -0.0457 -0.0093 -0.0383 140 GLN A N 990 C CA . GLN A 123 ? 0.2239 0.2633 0.2422 -0.0427 -0.0098 -0.0329 140 GLN A CA 991 C C . GLN A 123 ? 0.1888 0.2245 0.2005 -0.0376 -0.0091 -0.0290 140 GLN A C 992 O O . GLN A 123 ? 0.2196 0.2565 0.2324 -0.0356 -0.0077 -0.0242 140 GLN A O 993 C CB . GLN A 123 ? 0.2591 0.3080 0.2749 -0.0424 -0.0132 -0.0347 140 GLN A CB 994 C CG . GLN A 123 ? 0.3939 0.4496 0.4098 -0.0392 -0.0134 -0.0300 140 GLN A CG 995 C CD . GLN A 123 ? 0.6577 0.7235 0.6737 -0.0392 -0.0165 -0.0313 140 GLN A CD 996 O OE1 . GLN A 123 ? 0.3883 0.4567 0.4018 -0.0407 -0.0192 -0.0352 140 GLN A OE1 997 N NE2 . GLN A 123 ? 0.5220 0.5947 0.5411 -0.0375 -0.0162 -0.0277 140 GLN A NE2 998 N N . ASP A 124 ? 0.2045 0.2364 0.2094 -0.0358 -0.0102 -0.0314 141 ASP A N 999 C CA . ASP A 124 ? 0.1884 0.2171 0.1872 -0.0313 -0.0099 -0.0283 141 ASP A CA 1000 C C . ASP A 124 ? 0.1954 0.2173 0.1969 -0.0312 -0.0069 -0.0252 141 ASP A C 1001 O O . ASP A 124 ? 0.2022 0.2243 0.2022 -0.0285 -0.0061 -0.0209 141 ASP A O 1002 C CB . ASP A 124 ? 0.2200 0.2472 0.2115 -0.0296 -0.0119 -0.0311 141 ASP A CB 1003 C CG . ASP A 124 ? 0.2672 0.3023 0.2559 -0.0285 -0.0150 -0.0320 141 ASP A CG 1004 O OD1 . ASP A 124 ? 0.2064 0.2417 0.1897 -0.0273 -0.0167 -0.0337 141 ASP A OD1 1005 O OD2 . ASP A 124 ? 0.2347 0.2764 0.2269 -0.0286 -0.0155 -0.0304 141 ASP A OD2 1006 N N . ALA A 125 ? 0.2067 0.2229 0.2127 -0.0341 -0.0053 -0.0275 142 ALA A N 1007 C CA . ALA A 125 ? 0.1910 0.2013 0.2018 -0.0340 -0.0022 -0.0238 142 ALA A CA 1008 C C . ALA A 125 ? 0.1823 0.1967 0.1983 -0.0343 -0.0008 -0.0182 142 ALA A C 1009 O O . ALA A 125 ? 0.2056 0.2194 0.2212 -0.0321 0.0004 -0.0129 142 ALA A O 1010 C CB . ALA A 125 ? 0.2157 0.2194 0.2329 -0.0374 -0.0002 -0.0276 142 ALA A CB 1011 N N . GLN A 126 ? 0.1862 0.2059 0.2071 -0.0371 -0.0012 -0.0191 143 GLN A N 1012 C CA . GLN A 126 ? 0.2205 0.2452 0.2469 -0.0377 0.0002 -0.0137 143 GLN A CA 1013 C C . GLN A 126 ? 0.1899 0.2206 0.2099 -0.0337 -0.0005 -0.0101 143 GLN A C 1014 O O . GLN A 126 ? 0.2202 0.2529 0.2414 -0.0325 0.0012 -0.0045 143 GLN A O 1015 C CB . GLN A 126 ? 0.2165 0.2461 0.2497 -0.0417 -0.0001 -0.0160 143 GLN A CB 1016 C CG . GLN A 126 ? 0.2426 0.2660 0.2842 -0.0462 0.0014 -0.0192 143 GLN A CG 1017 C CD . GLN A 126 ? 0.3147 0.3430 0.3627 -0.0509 0.0005 -0.0228 143 GLN A CD 1018 O OE1 . GLN A 126 ? 0.3554 0.3802 0.4132 -0.0550 0.0025 -0.0236 143 GLN A OE1 1019 N NE2 . GLN A 126 ? 0.2735 0.3101 0.3171 -0.0503 -0.0024 -0.0249 143 GLN A NE2 1020 N N . THR A 127 ? 0.1759 0.2095 0.1892 -0.0316 -0.0031 -0.0134 144 THR A N 1021 C CA . THR A 127 ? 0.1858 0.2240 0.1933 -0.0278 -0.0037 -0.0113 144 THR A CA 1022 C C . THR A 127 ? 0.1920 0.2259 0.1951 -0.0252 -0.0027 -0.0086 144 THR A C 1023 O O . THR A 127 ? 0.2020 0.2397 0.2040 -0.0236 -0.0016 -0.0048 144 THR A O 1024 C CB . THR A 127 ? 0.2024 0.2430 0.2046 -0.0259 -0.0066 -0.0152 144 THR A CB 1025 O OG1 . THR A 127 ? 0.2194 0.2663 0.2261 -0.0281 -0.0076 -0.0169 144 THR A OG1 1026 C CG2 . THR A 127 ? 0.1983 0.2419 0.1950 -0.0217 -0.0070 -0.0139 144 THR A CG2 1027 N N . PHE A 128 ? 0.1954 0.2221 0.1959 -0.0249 -0.0032 -0.0105 145 PHE A N 1028 C CA . PHE A 128 ? 0.1882 0.2112 0.1851 -0.0227 -0.0025 -0.0080 145 PHE A CA 1029 C C . PHE A 128 ? 0.1811 0.2045 0.1831 -0.0235 0.0000 -0.0023 145 PHE A C 1030 O O . PHE A 128 ? 0.1863 0.2125 0.1855 -0.0216 0.0004 0.0014 145 PHE A O 1031 C CB . PHE A 128 ? 0.1834 0.1991 0.1778 -0.0225 -0.0031 -0.0110 145 PHE A CB 1032 C CG . PHE A 128 ? 0.1755 0.1915 0.1642 -0.0214 -0.0056 -0.0155 145 PHE A CG 1033 C CD1 . PHE A 128 ? 0.2000 0.2207 0.1844 -0.0190 -0.0072 -0.0157 145 PHE A CD1 1034 C CD2 . PHE A 128 ? 0.2081 0.2197 0.1959 -0.0225 -0.0061 -0.0194 145 PHE A CD2 1035 C CE1 . PHE A 128 ? 0.2167 0.2378 0.1969 -0.0178 -0.0094 -0.0188 145 PHE A CE1 1036 C CE2 . PHE A 128 ? 0.2132 0.2262 0.1957 -0.0215 -0.0085 -0.0227 145 PHE A CE2 1037 C CZ . PHE A 128 ? 0.2360 0.2536 0.2151 -0.0191 -0.0101 -0.0219 145 PHE A CZ 1038 N N . ALA A 129 ? 0.2002 0.2215 0.2103 -0.0266 0.0017 -0.0013 146 ALA A N 1039 C CA . ALA A 129 ? 0.2031 0.2253 0.2196 -0.0274 0.0043 0.0051 146 ALA A CA 1040 C C . ALA A 129 ? 0.1701 0.2016 0.1864 -0.0269 0.0048 0.0094 146 ALA A C 1041 O O . ALA A 129 ? 0.2218 0.2567 0.2380 -0.0258 0.0061 0.0152 146 ALA A O 1042 C CB . ALA A 129 ? 0.2095 0.2268 0.2360 -0.0310 0.0062 0.0050 146 ALA A CB 1043 N N . GLU A 130 ? 0.2196 0.2561 0.2361 -0.0278 0.0039 0.0066 147 GLU A N 1044 C CA . GLU A 130 ? 0.2082 0.2542 0.2247 -0.0272 0.0047 0.0097 147 GLU A CA 1045 C C . GLU A 130 ? 0.2064 0.2562 0.2142 -0.0236 0.0040 0.0102 147 GLU A C 1046 O O . GLU A 130 ? 0.2200 0.2767 0.2273 -0.0229 0.0055 0.0146 147 GLU A O 1047 C CB . GLU A 130 ? 0.2359 0.2863 0.2543 -0.0285 0.0036 0.0059 147 GLU A CB 1048 C CG . GLU A 130 ? 0.4013 0.4510 0.4299 -0.0328 0.0048 0.0066 147 GLU A CG 1049 C CD . GLU A 130 ? 0.5528 0.6052 0.5834 -0.0347 0.0030 0.0014 147 GLU A CD 1050 O OE1 . GLU A 130 ? 0.5968 0.6532 0.6216 -0.0323 0.0009 -0.0014 147 GLU A OE1 1051 O OE2 . GLU A 130 ? 0.4612 0.5118 0.4999 -0.0388 0.0035 0.0005 147 GLU A OE2 1052 N N . TRP A 131 ? 0.1878 0.2333 0.1892 -0.0216 0.0019 0.0056 148 TRP A N 1053 C CA . TRP A 131 ? 0.1855 0.2330 0.1791 -0.0184 0.0012 0.0051 148 TRP A CA 1054 C C . TRP A 131 ? 0.2009 0.2471 0.1928 -0.0178 0.0019 0.0093 148 TRP A C 1055 O O . TRP A 131 ? 0.2262 0.2757 0.2123 -0.0158 0.0015 0.0093 148 TRP A O 1056 C CB . TRP A 131 ? 0.1910 0.2339 0.1792 -0.0166 -0.0011 -0.0004 148 TRP A CB 1057 C CG . TRP A 131 ? 0.1751 0.2213 0.1637 -0.0162 -0.0023 -0.0040 148 TRP A CG 1058 C CD1 . TRP A 131 ? 0.1962 0.2497 0.1885 -0.0168 -0.0013 -0.0032 148 TRP A CD1 1059 C CD2 . TRP A 131 ? 0.1967 0.2398 0.1822 -0.0148 -0.0045 -0.0084 148 TRP A CD2 1060 N NE1 . TRP A 131 ? 0.2011 0.2563 0.1933 -0.0159 -0.0030 -0.0069 148 TRP A NE1 1061 C CE2 . TRP A 131 ? 0.1854 0.2343 0.1732 -0.0146 -0.0050 -0.0098 148 TRP A CE2 1062 C CE3 . TRP A 131 ? 0.1874 0.2240 0.1687 -0.0137 -0.0061 -0.0107 148 TRP A CE3 1063 C CZ2 . TRP A 131 ? 0.1645 0.2130 0.1506 -0.0132 -0.0071 -0.0131 148 TRP A CZ2 1064 C CZ3 . TRP A 131 ? 0.1780 0.2141 0.1574 -0.0125 -0.0081 -0.0139 148 TRP A CZ3 1065 C CH2 . TRP A 131 ? 0.1896 0.2317 0.1715 -0.0121 -0.0086 -0.0149 148 TRP A CH2 1066 N N . LYS A 132 ? 0.1856 0.2271 0.1831 -0.0196 0.0030 0.0125 149 LYS A N 1067 C CA . LYS A 132 ? 0.1717 0.2117 0.1698 -0.0191 0.0039 0.0175 149 LYS A CA 1068 C C . LYS A 132 ? 0.1829 0.2172 0.1754 -0.0173 0.0022 0.0145 149 LYS A C 1069 O O . LYS A 132 ? 0.2015 0.2377 0.1913 -0.0162 0.0020 0.0175 149 LYS A O 1070 C CB . LYS A 132 ? 0.2128 0.2623 0.2099 -0.0187 0.0051 0.0234 149 LYS A CB 1071 C CG . LYS A 132 ? 0.2320 0.2876 0.2355 -0.0206 0.0072 0.0274 149 LYS A CG 1072 C CD . LYS A 132 ? 0.3483 0.4138 0.3512 -0.0202 0.0087 0.0345 149 LYS A CD 1073 C CE . LYS A 132 ? 0.5289 0.6015 0.5378 -0.0221 0.0109 0.0385 149 LYS A CE 1074 N NZ . LYS A 132 ? 0.6343 0.7004 0.6540 -0.0248 0.0124 0.0411 149 LYS A NZ 1075 N N A VAL A 133 ? 0.1891 0.2172 0.1803 -0.0174 0.0009 0.0088 150 VAL A N 1076 N N B VAL A 133 ? 0.1870 0.2152 0.1780 -0.0173 0.0008 0.0088 150 VAL A N 1077 C CA A VAL A 133 ? 0.1825 0.2044 0.1701 -0.0162 -0.0003 0.0062 150 VAL A CA 1078 C CA B VAL A 133 ? 0.1754 0.1977 0.1625 -0.0160 -0.0003 0.0065 150 VAL A CA 1079 C C A VAL A 133 ? 0.2005 0.2175 0.1935 -0.0168 0.0012 0.0100 150 VAL A C 1080 C C B VAL A 133 ? 0.2153 0.2324 0.2081 -0.0168 0.0012 0.0100 150 VAL A C 1081 O O A VAL A 133 ? 0.1648 0.1809 0.1654 -0.0186 0.0032 0.0130 150 VAL A O 1082 O O B VAL A 133 ? 0.2330 0.2491 0.2334 -0.0186 0.0031 0.0125 150 VAL A O 1083 C CB A VAL A 133 ? 0.2132 0.2310 0.1992 -0.0164 -0.0017 0.0001 150 VAL A CB 1084 C CB B VAL A 133 ? 0.2480 0.2660 0.2321 -0.0157 -0.0020 0.0002 150 VAL A CB 1085 C CG1 A VAL A 133 ? 0.3033 0.3141 0.2874 -0.0158 -0.0023 -0.0021 150 VAL A CG1 1086 C CG1 B VAL A 133 ? 0.2153 0.2386 0.1967 -0.0151 -0.0031 -0.0024 150 VAL A CG1 1087 C CG2 A VAL A 133 ? 0.1584 0.1806 0.1390 -0.0148 -0.0034 -0.0029 150 VAL A CG2 1088 C CG2 B VAL A 133 ? 0.1887 0.2014 0.1782 -0.0179 -0.0012 -0.0016 150 VAL A CG2 1089 N N . ASP A 134 ? 0.1767 0.1908 0.1666 -0.0153 0.0005 0.0101 151 ASP A N 1090 C CA . ASP A 134 ? 0.1702 0.1803 0.1655 -0.0153 0.0021 0.0140 151 ASP A CA 1091 C C . ASP A 134 ? 0.2030 0.2051 0.1984 -0.0151 0.0021 0.0099 151 ASP A C 1092 O O . ASP A 134 ? 0.2010 0.1989 0.2021 -0.0150 0.0039 0.0122 151 ASP A O 1093 C CB . ASP A 134 ? 0.2010 0.2160 0.1937 -0.0138 0.0016 0.0190 151 ASP A CB 1094 C CG . ASP A 134 ? 0.2145 0.2387 0.2068 -0.0141 0.0019 0.0233 151 ASP A CG 1095 O OD1 . ASP A 134 ? 0.2058 0.2317 0.2049 -0.0153 0.0039 0.0280 151 ASP A OD1 1096 O OD2 . ASP A 134 ? 0.1949 0.2246 0.1801 -0.0132 0.0003 0.0217 151 ASP A OD2 1097 N N . MET A 135 ? 0.1844 0.1850 0.1738 -0.0147 0.0003 0.0041 152 MET A N 1098 C CA . MET A 135 ? 0.1932 0.1877 0.1813 -0.0144 0.0002 0.0001 152 MET A CA 1099 C C . MET A 135 ? 0.1861 0.1807 0.1698 -0.0148 -0.0014 -0.0055 152 MET A C 1100 O O . MET A 135 ? 0.1955 0.1946 0.1753 -0.0143 -0.0030 -0.0060 152 MET A O 1101 C CB . MET A 135 ? 0.1996 0.1938 0.1840 -0.0124 -0.0005 0.0016 152 MET A CB 1102 C CG . MET A 135 ? 0.2163 0.2050 0.1993 -0.0119 -0.0004 -0.0018 152 MET A CG 1103 S SD . MET A 135 ? 0.2368 0.2251 0.2190 -0.0100 -0.0004 0.0016 152 MET A SD 1104 C CE . MET A 135 ? 0.2496 0.2328 0.2288 -0.0097 -0.0003 -0.0035 152 MET A CE 1105 N N . LEU A 136 ? 0.1831 0.1733 0.1675 -0.0158 -0.0009 -0.0097 153 LEU A N 1106 C CA . LEU A 136 ? 0.1914 0.1824 0.1717 -0.0163 -0.0027 -0.0147 153 LEU A CA 1107 C C . LEU A 136 ? 0.1958 0.1829 0.1729 -0.0156 -0.0026 -0.0175 153 LEU A C 1108 O O . LEU A 136 ? 0.1998 0.1826 0.1807 -0.0163 -0.0005 -0.0184 153 LEU A O 1109 C CB . LEU A 136 ? 0.1888 0.1800 0.1734 -0.0191 -0.0020 -0.0176 153 LEU A CB 1110 C CG . LEU A 136 ? 0.1819 0.1750 0.1626 -0.0199 -0.0039 -0.0227 153 LEU A CG 1111 C CD1 . LEU A 136 ? 0.2152 0.2136 0.1911 -0.0182 -0.0064 -0.0219 153 LEU A CD1 1112 C CD2 . LEU A 136 ? 0.2122 0.2059 0.1980 -0.0233 -0.0033 -0.0262 153 LEU A CD2 1113 N N . LYS A 137 ? 0.1639 0.1527 0.1348 -0.0142 -0.0047 -0.0187 154 LYS A N 1114 C CA . LYS A 137 ? 0.1775 0.1641 0.1448 -0.0138 -0.0050 -0.0214 154 LYS A CA 1115 C C . LYS A 137 ? 0.1717 0.1612 0.1369 -0.0152 -0.0064 -0.0253 154 LYS A C 1116 O O . LYS A 137 ? 0.1835 0.1772 0.1467 -0.0146 -0.0084 -0.0250 154 LYS A O 1117 C CB . LYS A 137 ? 0.2084 0.1954 0.1710 -0.0115 -0.0064 -0.0194 154 LYS A CB 1118 C CG . LYS A 137 ? 0.2149 0.2010 0.1734 -0.0110 -0.0069 -0.0215 154 LYS A CG 1119 C CD . LYS A 137 ? 0.2104 0.1960 0.1660 -0.0090 -0.0079 -0.0189 154 LYS A CD 1120 C CE . LYS A 137 ? 0.1989 0.1847 0.1504 -0.0084 -0.0087 -0.0199 154 LYS A CE 1121 N NZ . LYS A 137 ? 0.1965 0.1816 0.1464 -0.0068 -0.0096 -0.0173 154 LYS A NZ 1122 N N . LEU A 138 ? 0.2018 0.1898 0.1678 -0.0169 -0.0053 -0.0293 155 LEU A N 1123 C CA . LEU A 138 ? 0.2019 0.1939 0.1660 -0.0187 -0.0067 -0.0334 155 LEU A CA 1124 C C . LEU A 138 ? 0.1997 0.1927 0.1580 -0.0181 -0.0073 -0.0354 155 LEU A C 1125 O O . LEU A 138 ? 0.1877 0.1779 0.1461 -0.0188 -0.0053 -0.0382 155 LEU A O 1126 C CB . LEU A 138 ? 0.1901 0.1809 0.1596 -0.0220 -0.0050 -0.0371 155 LEU A CB 1127 C CG . LEU A 138 ? 0.1796 0.1758 0.1480 -0.0246 -0.0068 -0.0418 155 LEU A CG 1128 C CD1 . LEU A 138 ? 0.1800 0.1821 0.1482 -0.0242 -0.0093 -0.0393 155 LEU A CD1 1129 C CD2 . LEU A 138 ? 0.2180 0.2117 0.1926 -0.0283 -0.0046 -0.0465 155 LEU A CD2 1130 N N . ASP A 139 ? 0.1935 0.1906 0.1475 -0.0165 -0.0099 -0.0336 156 ASP A N 1131 C CA . ASP A 139 ? 0.2027 0.2019 0.1512 -0.0156 -0.0108 -0.0339 156 ASP A CA 1132 C C . ASP A 139 ? 0.1964 0.2007 0.1429 -0.0181 -0.0116 -0.0385 156 ASP A C 1133 O O . ASP A 139 ? 0.2225 0.2289 0.1720 -0.0205 -0.0118 -0.0413 156 ASP A O 1134 C CB . ASP A 139 ? 0.1783 0.1798 0.1244 -0.0130 -0.0131 -0.0298 156 ASP A CB 1135 C CG . ASP A 139 ? 0.2278 0.2286 0.1700 -0.0112 -0.0133 -0.0277 156 ASP A CG 1136 O OD1 . ASP A 139 ? 0.2244 0.2248 0.1646 -0.0120 -0.0119 -0.0296 156 ASP A OD1 1137 O OD2 . ASP A 139 ? 0.2253 0.2263 0.1670 -0.0091 -0.0146 -0.0243 156 ASP A OD2 1138 N N . GLY A 140 ? 0.1898 0.1969 0.1314 -0.0178 -0.0119 -0.0393 157 GLY A N 1139 C CA . GLY A 140 ? 0.1892 0.2020 0.1280 -0.0205 -0.0124 -0.0443 157 GLY A CA 1140 C C . GLY A 140 ? 0.2251 0.2463 0.1584 -0.0200 -0.0152 -0.0428 157 GLY A C 1141 O O . GLY A 140 ? 0.2409 0.2675 0.1706 -0.0220 -0.0153 -0.0467 157 GLY A O 1142 N N . CYS A 141 ? 0.2093 0.2323 0.1424 -0.0173 -0.0173 -0.0373 158 CYS A N 1143 C CA . CYS A 141 ? 0.2244 0.2560 0.1537 -0.0166 -0.0201 -0.0348 158 CYS A CA 1144 C C . CYS A 141 ? 0.2247 0.2647 0.1545 -0.0191 -0.0225 -0.0375 158 CYS A C 1145 O O . CYS A 141 ? 0.2085 0.2473 0.1427 -0.0207 -0.0224 -0.0399 158 CYS A O 1146 C CB . CYS A 141 ? 0.2411 0.2718 0.1716 -0.0130 -0.0216 -0.0283 158 CYS A CB 1147 S SG . CYS A 141 ? 0.2743 0.2988 0.2031 -0.0103 -0.0199 -0.0240 158 CYS A SG 1148 N N . PHE A 142 ? 0.2342 0.2836 0.1597 -0.0194 -0.0246 -0.0365 159 PHE A N 1149 C CA . PHE A 142 ? 0.2497 0.3090 0.1756 -0.0212 -0.0276 -0.0376 159 PHE A CA 1150 C C . PHE A 142 ? 0.2611 0.3217 0.1884 -0.0258 -0.0270 -0.0454 159 PHE A C 1151 O O . PHE A 142 ? 0.2379 0.3028 0.1689 -0.0276 -0.0287 -0.0468 159 PHE A O 1152 C CB . PHE A 142 ? 0.2208 0.2810 0.1514 -0.0185 -0.0295 -0.0323 159 PHE A CB 1153 C CG . PHE A 142 ? 0.2556 0.3160 0.1853 -0.0144 -0.0304 -0.0251 159 PHE A CG 1154 C CD1 . PHE A 142 ? 0.2420 0.2936 0.1748 -0.0113 -0.0290 -0.0217 159 PHE A CD1 1155 C CD2 . PHE A 142 ? 0.2844 0.3544 0.2103 -0.0137 -0.0326 -0.0217 159 PHE A CD2 1156 C CE1 . PHE A 142 ? 0.2604 0.3114 0.1932 -0.0078 -0.0296 -0.0156 159 PHE A CE1 1157 C CE2 . PHE A 142 ? 0.3865 0.4562 0.3126 -0.0100 -0.0331 -0.0146 159 PHE A CE2 1158 C CZ . PHE A 142 ? 0.3434 0.4030 0.2734 -0.0070 -0.0315 -0.0118 159 PHE A CZ 1159 N N . SER A 143 ? 0.2709 0.3278 0.1958 -0.0278 -0.0243 -0.0508 160 SER A N 1160 C CA . SER A 143 ? 0.2605 0.3181 0.1870 -0.0324 -0.0232 -0.0591 160 SER A CA 1161 C C . SER A 143 ? 0.2405 0.3018 0.1610 -0.0345 -0.0218 -0.0644 160 SER A C 1162 O O . SER A 143 ? 0.2771 0.3389 0.1926 -0.0321 -0.0211 -0.0614 160 SER A O 1163 C CB . SER A 143 ? 0.2498 0.2957 0.1828 -0.0329 -0.0199 -0.0612 160 SER A CB 1164 O OG . SER A 143 ? 0.3380 0.3755 0.2701 -0.0301 -0.0171 -0.0589 160 SER A OG 1165 N N . THR A 144 ? 0.3081 0.3726 0.2293 -0.0391 -0.0214 -0.0727 161 THR A N 1166 C CA . THR A 144 ? 0.3116 0.3796 0.2275 -0.0417 -0.0196 -0.0799 161 THR A CA 1167 C C . THR A 144 ? 0.2865 0.3420 0.2070 -0.0422 -0.0147 -0.0850 161 THR A C 1168 O O . THR A 144 ? 0.2816 0.3278 0.2097 -0.0419 -0.0133 -0.0841 161 THR A O 1169 C CB . THR A 144 ? 0.3199 0.3993 0.2341 -0.0468 -0.0220 -0.0871 161 THR A CB 1170 O OG1 . THR A 144 ? 0.3238 0.3976 0.2460 -0.0501 -0.0211 -0.0923 161 THR A OG1 1171 C CG2 . THR A 144 ? 0.3392 0.4321 0.2502 -0.0462 -0.0272 -0.0812 161 THR A CG2 1172 N N . PRO A 145 ? 0.3263 0.3818 0.2425 -0.0429 -0.0117 -0.0901 162 PRO A N 1173 C CA . PRO A 145 ? 0.3227 0.3666 0.2443 -0.0434 -0.0067 -0.0954 162 PRO A CA 1174 C C . PRO A 145 ? 0.3055 0.3453 0.2351 -0.0475 -0.0058 -0.1023 162 PRO A C 1175 O O . PRO A 145 ? 0.3219 0.3504 0.2596 -0.0468 -0.0027 -0.1022 162 PRO A O 1176 C CB . PRO A 145 ? 0.3986 0.4471 0.3135 -0.0443 -0.0042 -0.1014 162 PRO A CB 1177 C CG . PRO A 145 ? 0.4296 0.4888 0.3357 -0.0422 -0.0075 -0.0949 162 PRO A CG 1178 C CD . PRO A 145 ? 0.3462 0.4122 0.2529 -0.0428 -0.0125 -0.0905 162 PRO A CD 1179 N N . GLU A 146 ? 0.3151 0.3647 0.2428 -0.0518 -0.0085 -0.1078 163 GLU A N 1180 C CA . GLU A 146 ? 0.2979 0.3449 0.2335 -0.0565 -0.0079 -0.1148 163 GLU A CA 1181 C C . GLU A 146 ? 0.2925 0.3341 0.2360 -0.0554 -0.0092 -0.1082 163 GLU A C 1182 O O . GLU A 146 ? 0.3321 0.3649 0.2847 -0.0571 -0.0067 -0.1108 163 GLU A O 1183 C CB . GLU A 146 ? 0.3927 0.4534 0.3239 -0.0616 -0.0113 -0.1217 163 GLU A CB 1184 C CG . GLU A 146 ? 0.5382 0.6057 0.4613 -0.0636 -0.0097 -0.1298 163 GLU A CG 1185 C CD . GLU A 146 ? 0.7690 0.8495 0.6808 -0.0613 -0.0131 -0.1242 163 GLU A CD 1186 O OE1 . GLU A 146 ? 0.7110 0.8042 0.6159 -0.0648 -0.0146 -0.1305 163 GLU A OE1 1187 O OE2 . GLU A 146 ? 0.4568 0.5352 0.3669 -0.0562 -0.0140 -0.1137 163 GLU A OE2 1188 N N . GLU A 147 ? 0.2909 0.3378 0.2313 -0.0523 -0.0129 -0.0994 164 GLU A N 1189 C CA . GLU A 147 ? 0.3048 0.3470 0.2519 -0.0505 -0.0139 -0.0926 164 GLU A CA 1190 C C . GLU A 147 ? 0.2959 0.3250 0.2480 -0.0472 -0.0102 -0.0885 164 GLU A C 1191 O O . GLU A 147 ? 0.3024 0.3252 0.2626 -0.0478 -0.0089 -0.0873 164 GLU A O 1192 C CB . GLU A 147 ? 0.2762 0.3268 0.2189 -0.0475 -0.0182 -0.0846 164 GLU A CB 1193 C CG . GLU A 147 ? 0.3151 0.3795 0.2557 -0.0512 -0.0223 -0.0877 164 GLU A CG 1194 C CD . GLU A 147 ? 0.5206 0.5948 0.4569 -0.0480 -0.0265 -0.0799 164 GLU A CD 1195 O OE1 . GLU A 147 ? 0.3892 0.4598 0.3229 -0.0433 -0.0263 -0.0730 164 GLU A OE1 1196 O OE2 . GLU A 147 ? 0.4016 0.4873 0.3374 -0.0505 -0.0302 -0.0808 164 GLU A OE2 1197 N N . ARG A 148 ? 0.2695 0.2955 0.2169 -0.0437 -0.0086 -0.0859 165 ARG A N 1198 C CA . ARG A 148 ? 0.2449 0.2597 0.1967 -0.0406 -0.0052 -0.0822 165 ARG A CA 1199 C C . ARG A 148 ? 0.2394 0.2460 0.1990 -0.0432 -0.0009 -0.0885 165 ARG A C 1200 O O . ARG A 148 ? 0.2516 0.2502 0.2189 -0.0423 0.0010 -0.0854 165 ARG A O 1201 C CB . ARG A 148 ? 0.2430 0.2575 0.1884 -0.0369 -0.0044 -0.0787 165 ARG A CB 1202 C CG . ARG A 148 ? 0.2653 0.2853 0.2054 -0.0338 -0.0081 -0.0710 165 ARG A CG 1203 C CD . ARG A 148 ? 0.2915 0.3090 0.2274 -0.0301 -0.0069 -0.0666 165 ARG A CD 1204 N NE . ARG A 148 ? 0.4772 0.5006 0.4066 -0.0310 -0.0062 -0.0707 165 ARG A NE 1205 C CZ . ARG A 148 ? 0.3753 0.4081 0.2975 -0.0305 -0.0090 -0.0685 165 ARG A CZ 1206 N NH1 . ARG A 148 ? 0.5319 0.5686 0.4533 -0.0287 -0.0126 -0.0619 165 ARG A NH1 1207 N NH2 . ARG A 148 ? 0.4648 0.5032 0.3811 -0.0316 -0.0080 -0.0723 165 ARG A NH2 1208 N N . ALA A 149 ? 0.2345 0.2436 0.1925 -0.0466 0.0004 -0.0976 166 ALA A N 1209 C CA . ALA A 149 ? 0.2590 0.2598 0.2253 -0.0490 0.0050 -0.1044 166 ALA A CA 1210 C C . ALA A 149 ? 0.2623 0.2598 0.2384 -0.0522 0.0049 -0.1052 166 ALA A C 1211 O O . ALA A 149 ? 0.2844 0.2721 0.2701 -0.0525 0.0087 -0.1059 166 ALA A O 1212 C CB . ALA A 149 ? 0.2810 0.2864 0.2428 -0.0524 0.0064 -0.1152 166 ALA A CB 1213 N N . GLN A 150 ? 0.2813 0.2873 0.2555 -0.0545 0.0007 -0.1049 167 GLN A N 1214 C CA . GLN A 150 ? 0.2655 0.2698 0.2490 -0.0574 0.0003 -0.1043 167 GLN A CA 1215 C C . GLN A 150 ? 0.2657 0.2659 0.2526 -0.0535 0.0000 -0.0938 167 GLN A C 1216 O O . GLN A 150 ? 0.2867 0.2801 0.2833 -0.0543 0.0021 -0.0918 167 GLN A O 1217 C CB . GLN A 150 ? 0.3508 0.3668 0.3314 -0.0613 -0.0040 -0.1076 167 GLN A CB 1218 C CG . GLN A 150 ? 0.4113 0.4319 0.3901 -0.0664 -0.0036 -0.1191 167 GLN A CG 1219 C CD . GLN A 150 ? 0.6029 0.6364 0.5795 -0.0707 -0.0082 -0.1224 167 GLN A CD 1220 O OE1 . GLN A 150 ? 0.5306 0.5672 0.5114 -0.0712 -0.0107 -0.1175 167 GLN A OE1 1221 N NE2 . GLN A 150 ? 0.8175 0.8594 0.7875 -0.0741 -0.0093 -0.1308 167 GLN A NE2 1222 N N . GLY A 151 ? 0.2632 0.2683 0.2425 -0.0496 -0.0029 -0.0872 168 GLY A N 1223 C CA . GLY A 151 ? 0.2209 0.2249 0.2019 -0.0463 -0.0041 -0.0781 168 GLY A CA 1224 C C . GLY A 151 ? 0.2358 0.2304 0.2211 -0.0430 -0.0009 -0.0725 168 GLY A C 1225 O O . GLY A 151 ? 0.2401 0.2326 0.2310 -0.0424 -0.0007 -0.0674 168 GLY A O 1226 N N . TYR A 152 ? 0.2373 0.2271 0.2201 -0.0409 0.0013 -0.0733 169 TYR A N 1227 C CA . TYR A 152 ? 0.2150 0.1969 0.2023 -0.0376 0.0041 -0.0676 169 TYR A CA 1228 C C . TYR A 152 ? 0.2288 0.2035 0.2276 -0.0397 0.0076 -0.0685 169 TYR A C 1229 O O . TYR A 152 ? 0.2394 0.2116 0.2435 -0.0383 0.0081 -0.0618 169 TYR A O 1230 C CB . TYR A 152 ? 0.2474 0.2267 0.2297 -0.0348 0.0057 -0.0677 169 TYR A CB 1231 C CG . TYR A 152 ? 0.2180 0.2023 0.1916 -0.0315 0.0026 -0.0626 169 TYR A CG 1232 C CD1 . TYR A 152 ? 0.2446 0.2266 0.2185 -0.0280 0.0023 -0.0549 169 TYR A CD1 1233 C CD2 . TYR A 152 ? 0.2315 0.2233 0.1968 -0.0321 0.0000 -0.0653 169 TYR A CD2 1234 C CE1 . TYR A 152 ? 0.2249 0.2107 0.1918 -0.0253 -0.0002 -0.0509 169 TYR A CE1 1235 C CE2 . TYR A 152 ? 0.2082 0.2041 0.1668 -0.0290 -0.0025 -0.0602 169 TYR A CE2 1236 C CZ . TYR A 152 ? 0.1951 0.1873 0.1548 -0.0258 -0.0025 -0.0533 169 TYR A CZ 1237 O OH . TYR A 152 ? 0.2263 0.2220 0.1801 -0.0231 -0.0049 -0.0490 169 TYR A OH 1238 N N . PRO A 153 ? 0.2436 0.2156 0.2470 -0.0433 0.0100 -0.0767 170 PRO A N 1239 C CA . PRO A 153 ? 0.2581 0.2232 0.2740 -0.0456 0.0132 -0.0770 170 PRO A CA 1240 C C . PRO A 153 ? 0.2819 0.2506 0.3023 -0.0479 0.0111 -0.0737 170 PRO A C 1241 O O . PRO A 153 ? 0.2628 0.2270 0.2924 -0.0477 0.0131 -0.0685 170 PRO A O 1242 C CB . PRO A 153 ? 0.2837 0.2462 0.3026 -0.0494 0.0157 -0.0879 170 PRO A CB 1243 C CG . PRO A 153 ? 0.3124 0.2784 0.3207 -0.0477 0.0151 -0.0916 170 PRO A CG 1244 C CD . PRO A 153 ? 0.3002 0.2745 0.2984 -0.0452 0.0105 -0.0856 170 PRO A CD 1245 N N . LYS A 154 ? 0.2525 0.2300 0.2670 -0.0499 0.0072 -0.0764 171 LYS A N 1246 C CA . LYS A 154 ? 0.2686 0.2510 0.2870 -0.0521 0.0051 -0.0735 171 LYS A CA 1247 C C . LYS A 154 ? 0.2229 0.2054 0.2414 -0.0481 0.0046 -0.0633 171 LYS A C 1248 O O . LYS A 154 ? 0.2441 0.2259 0.2705 -0.0492 0.0055 -0.0591 171 LYS A O 1249 C CB . LYS A 154 ? 0.2376 0.2307 0.2486 -0.0540 0.0008 -0.0773 171 LYS A CB 1250 C CG . LYS A 154 ? 0.3092 0.3084 0.3253 -0.0573 -0.0012 -0.0764 171 LYS A CG 1251 C CD . LYS A 154 ? 0.2920 0.3029 0.3005 -0.0585 -0.0058 -0.0794 171 LYS A CD 1252 C CE . LYS A 154 ? 0.3813 0.3996 0.3952 -0.0618 -0.0080 -0.0787 171 LYS A CE 1253 N NZ . LYS A 154 ? 0.4369 0.4526 0.4604 -0.0678 -0.0062 -0.0853 171 LYS A NZ 1254 N N . MET A 155 ? 0.2368 0.2207 0.2469 -0.0438 0.0032 -0.0594 172 MET A N 1255 C CA . MET A 155 ? 0.2118 0.1963 0.2209 -0.0401 0.0027 -0.0507 172 MET A CA 1256 C C . MET A 155 ? 0.2233 0.2004 0.2403 -0.0389 0.0063 -0.0459 172 MET A C 1257 O O . MET A 155 ? 0.2265 0.2045 0.2479 -0.0384 0.0067 -0.0397 172 MET A O 1258 C CB . MET A 155 ? 0.2345 0.2219 0.2333 -0.0361 0.0004 -0.0484 172 MET A CB 1259 C CG . MET A 155 ? 0.2165 0.2049 0.2139 -0.0326 -0.0001 -0.0406 172 MET A CG 1260 S SD . MET A 155 ? 0.2243 0.2199 0.2243 -0.0335 -0.0020 -0.0371 172 MET A SD 1261 C CE . MET A 155 ? 0.2250 0.2283 0.2159 -0.0323 -0.0061 -0.0393 172 MET A CE 1262 N N . ALA A 156 ? 0.2353 0.2056 0.2547 -0.0385 0.0092 -0.0486 173 ALA A N 1263 C CA . ALA A 156 ? 0.2414 0.2048 0.2698 -0.0373 0.0128 -0.0436 173 ALA A CA 1264 C C . ALA A 156 ? 0.2365 0.1984 0.2761 -0.0406 0.0145 -0.0424 173 ALA A C 1265 O O . ALA A 156 ? 0.2575 0.2190 0.3027 -0.0394 0.0157 -0.0346 173 ALA A O 1266 C CB . ALA A 156 ? 0.2397 0.1961 0.2705 -0.0366 0.0161 -0.0477 173 ALA A CB 1267 N N . ALA A 157 ? 0.2463 0.2082 0.2891 -0.0450 0.0146 -0.0500 174 ALA A N 1268 C CA . ALA A 157 ? 0.2238 0.1840 0.2781 -0.0487 0.0164 -0.0495 174 ALA A CA 1269 C C . ALA A 157 ? 0.2497 0.2175 0.3033 -0.0488 0.0139 -0.0431 174 ALA A C 1270 O O . ALA A 157 ? 0.2781 0.2448 0.3406 -0.0493 0.0158 -0.0368 174 ALA A O 1271 C CB . ALA A 157 ? 0.2467 0.2064 0.3038 -0.0539 0.0165 -0.0601 174 ALA A CB 1272 N N . ALA A 158 ? 0.2545 0.2303 0.2977 -0.0479 0.0100 -0.0442 175 ALA A N 1273 C CA . ALA A 158 ? 0.2279 0.2115 0.2699 -0.0476 0.0078 -0.0389 175 ALA A CA 1274 C C . ALA A 158 ? 0.2087 0.1926 0.2504 -0.0437 0.0086 -0.0295 175 ALA A C 1275 O O . ALA A 158 ? 0.2334 0.2207 0.2800 -0.0443 0.0091 -0.0241 175 ALA A O 1276 C CB . ALA A 158 ? 0.2488 0.2407 0.2805 -0.0470 0.0036 -0.0422 175 ALA A CB 1277 N N . LEU A 159 ? 0.2299 0.2110 0.2657 -0.0399 0.0087 -0.0276 176 LEU A N 1278 C CA . LEU A 159 ? 0.2235 0.2055 0.2586 -0.0364 0.0093 -0.0192 176 LEU A CA 1279 C C . LEU A 159 ? 0.2277 0.2054 0.2747 -0.0375 0.0130 -0.0139 176 LEU A C 1280 O O . LEU A 159 ? 0.2285 0.2102 0.2785 -0.0370 0.0135 -0.0067 176 LEU A O 1281 C CB . LEU A 159 ? 0.2115 0.1909 0.2394 -0.0327 0.0089 -0.0189 176 LEU A CB 1282 C CG . LEU A 159 ? 0.2315 0.2152 0.2478 -0.0309 0.0055 -0.0221 176 LEU A CG 1283 C CD1 . LEU A 159 ? 0.2305 0.2102 0.2418 -0.0281 0.0057 -0.0227 176 LEU A CD1 1284 C CD2 . LEU A 159 ? 0.2085 0.1997 0.2202 -0.0291 0.0033 -0.0176 176 LEU A CD2 1285 N N . ASN A 160 ? 0.2305 0.2002 0.2846 -0.0390 0.0157 -0.0175 177 ASN A N 1286 C CA . ASN A 160 ? 0.2502 0.2149 0.3173 -0.0400 0.0194 -0.0124 177 ASN A CA 1287 C C . ASN A 160 ? 0.2275 0.1960 0.3021 -0.0434 0.0199 -0.0095 177 ASN A C 1288 O O . ASN A 160 ? 0.2688 0.2385 0.3502 -0.0428 0.0217 -0.0009 177 ASN A O 1289 C CB . ASN A 160 ? 0.2815 0.2368 0.3560 -0.0418 0.0225 -0.0187 177 ASN A CB 1290 C CG . ASN A 160 ? 0.3062 0.2553 0.3952 -0.0423 0.0267 -0.0130 177 ASN A CG 1291 O OD1 . ASN A 160 ? 0.3023 0.2502 0.4013 -0.0458 0.0283 -0.0126 177 ASN A OD1 1292 N ND2 . ASN A 160 ? 0.3041 0.2498 0.3950 -0.0385 0.0285 -0.0075 177 ASN A ND2 1293 N N . ALA A 161 ? 0.2317 0.2028 0.3051 -0.0469 0.0181 -0.0166 178 ALA A N 1294 C CA . ALA A 161 ? 0.2453 0.2203 0.3266 -0.0507 0.0185 -0.0150 178 ALA A CA 1295 C C . ALA A 161 ? 0.2646 0.2488 0.3425 -0.0489 0.0172 -0.0068 178 ALA A C 1296 O O . ALA A 161 ? 0.2741 0.2612 0.3605 -0.0512 0.0186 -0.0020 178 ALA A O 1297 C CB . ALA A 161 ? 0.2684 0.2457 0.3482 -0.0549 0.0164 -0.0247 178 ALA A CB 1298 N N . THR A 162 ? 0.2340 0.2229 0.3003 -0.0448 0.0148 -0.0050 179 THR A N 1299 C CA . THR A 162 ? 0.2431 0.2410 0.3054 -0.0429 0.0138 0.0017 179 THR A CA 1300 C C . THR A 162 ? 0.2744 0.2725 0.3434 -0.0417 0.0165 0.0115 179 THR A C 1301 O O . THR A 162 ? 0.2681 0.2740 0.3369 -0.0412 0.0167 0.0178 179 THR A O 1302 C CB . THR A 162 ? 0.2401 0.2422 0.2890 -0.0388 0.0108 0.0008 179 THR A CB 1303 O OG1 . THR A 162 ? 0.2307 0.2283 0.2770 -0.0357 0.0116 0.0036 179 THR A OG1 1304 C CG2 . THR A 162 ? 0.2362 0.2387 0.2784 -0.0394 0.0080 -0.0077 179 THR A CG2 1305 N N . GLY A 163 ? 0.2351 0.2252 0.3094 -0.0409 0.0188 0.0132 180 GLY A N 1306 C CA . GLY A 163 ? 0.2932 0.2836 0.3737 -0.0392 0.0213 0.0234 180 GLY A CA 1307 C C . GLY A 163 ? 0.2786 0.2735 0.3497 -0.0348 0.0199 0.0281 180 GLY A C 1308 O O . GLY A 163 ? 0.2923 0.2879 0.3680 -0.0332 0.0217 0.0365 180 GLY A O 1309 N N . ARG A 164 ? 0.2478 0.2461 0.3064 -0.0330 0.0167 0.0230 181 ARG A N 1310 C CA . ARG A 164 ? 0.2307 0.2329 0.2806 -0.0293 0.0152 0.0264 181 ARG A CA 1311 C C . ARG A 164 ? 0.2284 0.2230 0.2759 -0.0275 0.0150 0.0227 181 ARG A C 1312 O O . ARG A 164 ? 0.2394 0.2295 0.2839 -0.0284 0.0141 0.0147 181 ARG A O 1313 C CB . ARG A 164 ? 0.2463 0.2559 0.2847 -0.0281 0.0122 0.0232 181 ARG A CB 1314 C CG . ARG A 164 ? 0.2297 0.2443 0.2600 -0.0248 0.0108 0.0268 181 ARG A CG 1315 C CD . ARG A 164 ? 0.2544 0.2754 0.2745 -0.0235 0.0083 0.0230 181 ARG A CD 1316 N NE . ARG A 164 ? 0.2316 0.2571 0.2448 -0.0209 0.0072 0.0260 181 ARG A NE 1317 C CZ . ARG A 164 ? 0.2426 0.2759 0.2559 -0.0203 0.0080 0.0329 181 ARG A CZ 1318 N NH1 . ARG A 164 ? 0.2446 0.2825 0.2646 -0.0219 0.0101 0.0384 181 ARG A NH1 1319 N NH2 . ARG A 164 ? 0.2245 0.2619 0.2311 -0.0183 0.0067 0.0343 181 ARG A NH2 1320 N N . PRO A 165 ? 0.2546 0.2488 0.3035 -0.0251 0.0160 0.0289 182 PRO A N 1321 C CA . PRO A 165 ? 0.2832 0.2716 0.3290 -0.0231 0.0156 0.0256 182 PRO A CA 1322 C C . PRO A 165 ? 0.2412 0.2327 0.2740 -0.0216 0.0122 0.0202 182 PRO A C 1323 O O . PRO A 165 ? 0.2453 0.2441 0.2715 -0.0202 0.0104 0.0231 182 PRO A O 1324 C CB . PRO A 165 ? 0.2957 0.2859 0.3458 -0.0208 0.0170 0.0347 182 PRO A CB 1325 C CG . PRO A 165 ? 0.3004 0.2948 0.3594 -0.0222 0.0190 0.0429 182 PRO A CG 1326 C CD . PRO A 165 ? 0.2722 0.2718 0.3264 -0.0242 0.0175 0.0394 182 PRO A CD 1327 N N . ILE A 166 ? 0.2235 0.2098 0.2532 -0.0222 0.0115 0.0122 183 ILE A N 1328 C CA . ILE A 166 ? 0.1815 0.1696 0.2002 -0.0208 0.0086 0.0073 183 ILE A CA 1329 C C . ILE A 166 ? 0.1980 0.1797 0.2155 -0.0196 0.0091 0.0037 183 ILE A C 1330 O O . ILE A 166 ? 0.2364 0.2125 0.2576 -0.0212 0.0105 -0.0012 183 ILE A O 1331 C CB . ILE A 166 ? 0.2090 0.1995 0.2240 -0.0226 0.0068 0.0016 183 ILE A CB 1332 C CG1 . ILE A 166 ? 0.2482 0.2460 0.2642 -0.0233 0.0065 0.0056 183 ILE A CG1 1333 C CG2 . ILE A 166 ? 0.2291 0.2207 0.2339 -0.0209 0.0040 -0.0029 183 ILE A CG2 1334 C CD1 . ILE A 166 ? 0.2114 0.2124 0.2258 -0.0251 0.0051 0.0008 183 ILE A CD1 1335 N N . ALA A 167 ? 0.1992 0.1822 0.2120 -0.0171 0.0081 0.0061 184 ALA A N 1336 C CA . ALA A 167 ? 0.2022 0.1801 0.2137 -0.0158 0.0086 0.0032 184 ALA A CA 1337 C C . ALA A 167 ? 0.2028 0.1793 0.2079 -0.0167 0.0071 -0.0045 184 ALA A C 1338 O O . ALA A 167 ? 0.2251 0.2060 0.2237 -0.0168 0.0045 -0.0062 184 ALA A O 1339 C CB . ALA A 167 ? 0.1968 0.1777 0.2040 -0.0133 0.0073 0.0072 184 ALA A CB 1340 N N . PHE A 168 ? 0.2012 0.1723 0.2083 -0.0173 0.0088 -0.0093 185 PHE A N 1341 C CA . PHE A 168 ? 0.2015 0.1724 0.2031 -0.0186 0.0075 -0.0166 185 PHE A CA 1342 C C . PHE A 168 ? 0.2032 0.1724 0.1996 -0.0169 0.0073 -0.0190 185 PHE A C 1343 O O . PHE A 168 ? 0.2116 0.1763 0.2122 -0.0164 0.0100 -0.0198 185 PHE A O 1344 C CB . PHE A 168 ? 0.2328 0.2002 0.2409 -0.0216 0.0096 -0.0213 185 PHE A CB 1345 C CG . PHE A 168 ? 0.2055 0.1747 0.2084 -0.0237 0.0079 -0.0287 185 PHE A CG 1346 C CD1 . PHE A 168 ? 0.2164 0.1914 0.2111 -0.0232 0.0044 -0.0293 185 PHE A CD1 1347 C CD2 . PHE A 168 ? 0.2393 0.2050 0.2463 -0.0263 0.0099 -0.0350 185 PHE A CD2 1348 C CE1 . PHE A 168 ? 0.2123 0.1901 0.2028 -0.0250 0.0028 -0.0352 185 PHE A CE1 1349 C CE2 . PHE A 168 ? 0.2652 0.2339 0.2674 -0.0285 0.0082 -0.0417 185 PHE A CE2 1350 C CZ . PHE A 168 ? 0.2705 0.2458 0.2644 -0.0278 0.0045 -0.0414 185 PHE A CZ 1351 N N . SER A 169 ? 0.2083 0.1812 0.1963 -0.0160 0.0044 -0.0198 186 SER A N 1352 C CA . SER A 169 ? 0.1880 0.1604 0.1703 -0.0145 0.0039 -0.0214 186 SER A CA 1353 C C . SER A 169 ? 0.2078 0.1816 0.1853 -0.0159 0.0029 -0.0274 186 SER A C 1354 O O . SER A 169 ? 0.2318 0.2097 0.2056 -0.0165 0.0004 -0.0283 186 SER A O 1355 C CB . SER A 169 ? 0.1840 0.1597 0.1613 -0.0125 0.0014 -0.0174 186 SER A CB 1356 O OG . SER A 169 ? 0.2203 0.1962 0.1920 -0.0114 0.0004 -0.0188 186 SER A OG 1357 N N . CYS A 170 ? 0.2125 0.1837 0.1904 -0.0164 0.0049 -0.0315 187 CYS A N 1358 C CA . CYS A 170 ? 0.2058 0.1791 0.1797 -0.0183 0.0043 -0.0377 187 CYS A CA 1359 C C . CYS A 170 ? 0.2422 0.2176 0.2090 -0.0170 0.0036 -0.0388 187 CYS A C 1360 O O . CYS A 170 ? 0.2610 0.2337 0.2287 -0.0158 0.0059 -0.0389 187 CYS A O 1361 C CB . CYS A 170 ? 0.3013 0.2708 0.2808 -0.0204 0.0076 -0.0431 187 CYS A CB 1362 S SG . CYS A 170 ? 0.2891 0.2552 0.2789 -0.0225 0.0092 -0.0421 187 CYS A SG 1363 N N . SER A 171 ? 0.2297 0.2102 0.1903 -0.0172 0.0007 -0.0395 188 SER A N 1364 C CA . SER A 171 ? 0.2342 0.2176 0.1882 -0.0161 0.0000 -0.0398 188 SER A CA 1365 C C . SER A 171 ? 0.2394 0.2251 0.1908 -0.0180 0.0011 -0.0460 188 SER A C 1366 O O . SER A 171 ? 0.2341 0.2230 0.1801 -0.0172 0.0009 -0.0462 188 SER A O 1367 C CB . SER A 171 ? 0.2503 0.2385 0.1996 -0.0152 -0.0037 -0.0368 188 SER A CB 1368 O OG . SER A 171 ? 0.2563 0.2425 0.2074 -0.0133 -0.0045 -0.0318 188 SER A OG 1369 N N . TRP A 172 ? 0.2476 0.2322 0.2029 -0.0206 0.0025 -0.0511 189 TRP A N 1370 C CA . TRP A 172 ? 0.2614 0.2490 0.2143 -0.0231 0.0036 -0.0583 189 TRP A CA 1371 C C . TRP A 172 ? 0.2637 0.2518 0.2126 -0.0220 0.0058 -0.0600 189 TRP A C 1372 O O . TRP A 172 ? 0.2666 0.2612 0.2085 -0.0225 0.0044 -0.0617 189 TRP A O 1373 C CB . TRP A 172 ? 0.2394 0.2227 0.1998 -0.0259 0.0061 -0.0634 189 TRP A CB 1374 C CG . TRP A 172 ? 0.2497 0.2362 0.2085 -0.0293 0.0070 -0.0722 189 TRP A CG 1375 C CD1 . TRP A 172 ? 0.2581 0.2525 0.2086 -0.0304 0.0053 -0.0757 189 TRP A CD1 1376 C CD2 . TRP A 172 ? 0.2676 0.2497 0.2335 -0.0323 0.0099 -0.0787 189 TRP A CD2 1377 N NE1 . TRP A 172 ? 0.3176 0.3135 0.2690 -0.0341 0.0070 -0.0846 189 TRP A NE1 1378 C CE2 . TRP A 172 ? 0.2641 0.2519 0.2253 -0.0354 0.0098 -0.0870 189 TRP A CE2 1379 C CE3 . TRP A 172 ? 0.2906 0.2647 0.2670 -0.0328 0.0127 -0.0782 189 TRP A CE3 1380 C CZ2 . TRP A 172 ? 0.3555 0.3406 0.3222 -0.0391 0.0126 -0.0958 189 TRP A CZ2 1381 C CZ3 . TRP A 172 ? 0.3195 0.2903 0.3022 -0.0363 0.0156 -0.0862 189 TRP A CZ3 1382 C CH2 . TRP A 172 ? 0.3151 0.2911 0.2929 -0.0395 0.0155 -0.0954 189 TRP A CH2 1383 N N . PRO A 173 ? 0.2265 0.2085 0.1799 -0.0202 0.0093 -0.0588 190 PRO A N 1384 C CA . PRO A 173 ? 0.2202 0.2036 0.1700 -0.0193 0.0118 -0.0612 190 PRO A CA 1385 C C . PRO A 173 ? 0.2547 0.2436 0.1969 -0.0176 0.0095 -0.0567 190 PRO A C 1386 O O . PRO A 173 ? 0.2783 0.2723 0.2149 -0.0180 0.0104 -0.0596 190 PRO A O 1387 C CB . PRO A 173 ? 0.2714 0.2474 0.2288 -0.0173 0.0156 -0.0595 190 PRO A CB 1388 C CG . PRO A 173 ? 0.2548 0.2271 0.2175 -0.0165 0.0140 -0.0535 190 PRO A CG 1389 C CD . PRO A 173 ? 0.2637 0.2384 0.2257 -0.0190 0.0113 -0.0556 190 PRO A CD 1390 N N . ALA A 174 ? 0.2540 0.2426 0.1958 -0.0158 0.0066 -0.0498 191 ALA A N 1391 C CA . ALA A 174 ? 0.2670 0.2602 0.2029 -0.0142 0.0045 -0.0452 191 ALA A CA 1392 C C . ALA A 174 ? 0.3317 0.3331 0.2608 -0.0156 0.0021 -0.0470 191 ALA A C 1393 O O . ALA A 174 ? 0.3631 0.3691 0.2872 -0.0146 0.0015 -0.0444 191 ALA A O 1394 C CB . ALA A 174 ? 0.2223 0.2132 0.1600 -0.0123 0.0020 -0.0384 191 ALA A CB 1395 N N . TYR A 175 ? 0.2420 0.2458 0.1713 -0.0179 0.0007 -0.0510 192 TYR A N 1396 C CA . TYR A 175 ? 0.2206 0.2335 0.1438 -0.0196 -0.0018 -0.0528 192 TYR A CA 1397 C C . TYR A 175 ? 0.2993 0.3169 0.2188 -0.0219 0.0003 -0.0600 192 TYR A C 1398 O O . TYR A 175 ? 0.3266 0.3535 0.2403 -0.0234 -0.0017 -0.0616 192 TYR A O 1399 C CB . TYR A 175 ? 0.2221 0.2367 0.1477 -0.0210 -0.0048 -0.0531 192 TYR A CB 1400 C CG . TYR A 175 ? 0.2254 0.2384 0.1524 -0.0185 -0.0073 -0.0459 192 TYR A CG 1401 C CD1 . TYR A 175 ? 0.2474 0.2667 0.1705 -0.0173 -0.0105 -0.0415 192 TYR A CD1 1402 C CD2 . TYR A 175 ? 0.2226 0.2280 0.1552 -0.0172 -0.0064 -0.0433 192 TYR A CD2 1403 C CE1 . TYR A 175 ? 0.2235 0.2407 0.1488 -0.0148 -0.0124 -0.0355 192 TYR A CE1 1404 C CE2 . TYR A 175 ? 0.2241 0.2284 0.1577 -0.0150 -0.0085 -0.0376 192 TYR A CE2 1405 C CZ . TYR A 175 ? 0.2523 0.2619 0.1823 -0.0138 -0.0113 -0.0341 192 TYR A CZ 1406 O OH . TYR A 175 ? 0.2361 0.2444 0.1677 -0.0116 -0.0131 -0.0291 192 TYR A OH 1407 N N . GLU A 176 ? 0.2699 0.2816 0.1930 -0.0221 0.0045 -0.0644 193 GLU A N 1408 C CA . GLU A 176 ? 0.3023 0.3173 0.2229 -0.0244 0.0074 -0.0728 193 GLU A CA 1409 C C . GLU A 176 ? 0.2922 0.3059 0.2116 -0.0223 0.0112 -0.0724 193 GLU A C 1410 O O . GLU A 176 ? 0.3550 0.3691 0.2743 -0.0237 0.0149 -0.0797 193 GLU A O 1411 C CB . GLU A 176 ? 0.3874 0.3963 0.3151 -0.0269 0.0098 -0.0800 193 GLU A CB 1412 C CG . GLU A 176 ? 0.6384 0.6466 0.5699 -0.0286 0.0067 -0.0794 193 GLU A CG 1413 C CD . GLU A 176 ? 0.5280 0.5458 0.4546 -0.0322 0.0038 -0.0844 193 GLU A CD 1414 O OE1 . GLU A 176 ? 0.8697 0.8953 0.7893 -0.0334 0.0041 -0.0884 193 GLU A OE1 1415 O OE2 . GLU A 176 ? 0.4799 0.4982 0.4097 -0.0339 0.0012 -0.0841 193 GLU A OE2 1416 N N . GLY A 177 ? 0.2648 0.2774 0.1837 -0.0193 0.0105 -0.0643 194 GLY A N 1417 C CA . GLY A 177 ? 0.2661 0.2786 0.1842 -0.0174 0.0140 -0.0632 194 GLY A CA 1418 C C . GLY A 177 ? 0.2791 0.2823 0.2053 -0.0156 0.0177 -0.0628 194 GLY A C 1419 O O . GLY A 177 ? 0.3120 0.3149 0.2385 -0.0137 0.0205 -0.0609 194 GLY A O 1420 N N . GLY A 178 ? 0.2382 0.2343 0.1715 -0.0161 0.0178 -0.0640 195 GLY A N 1421 C CA . GLY A 178 ? 0.2700 0.2579 0.2118 -0.0140 0.0205 -0.0614 195 GLY A CA 1422 C C . GLY A 178 ? 0.2784 0.2628 0.2252 -0.0138 0.0261 -0.0673 195 GLY A C 1423 O O . GLY A 178 ? 0.2792 0.2571 0.2342 -0.0119 0.0286 -0.0649 195 GLY A O 1424 N N . LEU A 179 ? 0.2806 0.2696 0.2229 -0.0157 0.0281 -0.0751 196 LEU A N 1425 C CA . LEU A 179 ? 0.2763 0.2628 0.2226 -0.0152 0.0340 -0.0814 196 LEU A CA 1426 C C . LEU A 179 ? 0.2413 0.2279 0.1882 -0.0185 0.0363 -0.0926 196 LEU A C 1427 O O . LEU A 179 ? 0.2916 0.2840 0.2323 -0.0216 0.0332 -0.0962 196 LEU A O 1428 C CB . LEU A 179 ? 0.2851 0.2782 0.2252 -0.0136 0.0359 -0.0803 196 LEU A CB 1429 C CG . LEU A 179 ? 0.2870 0.2799 0.2277 -0.0105 0.0346 -0.0701 196 LEU A CG 1430 C CD1 . LEU A 179 ? 0.3720 0.3731 0.3057 -0.0097 0.0358 -0.0690 196 LEU A CD1 1431 C CD2 . LEU A 179 ? 0.3701 0.3547 0.3219 -0.0079 0.0374 -0.0669 196 LEU A CD2 1432 N N . PRO A 180 ? 0.2717 0.2521 0.2267 -0.0180 0.0418 -0.0982 197 PRO A N 1433 C CA . PRO A 180 ? 0.2864 0.2678 0.2411 -0.0212 0.0448 -0.1104 197 PRO A CA 1434 C C . PRO A 180 ? 0.3007 0.2938 0.2431 -0.0226 0.0447 -0.1150 197 PRO A C 1435 O O . PRO A 180 ? 0.3046 0.3026 0.2419 -0.0202 0.0447 -0.1095 197 PRO A O 1436 C CB . PRO A 180 ? 0.3050 0.2779 0.2707 -0.0192 0.0515 -0.1140 197 PRO A CB 1437 C CG . PRO A 180 ? 0.3539 0.3202 0.3275 -0.0155 0.0509 -0.1033 197 PRO A CG 1438 C CD . PRO A 180 ? 0.3312 0.3043 0.2958 -0.0144 0.0459 -0.0944 197 PRO A CD 1439 N N . PRO A 181 ? 0.2919 0.2900 0.2298 -0.0267 0.0446 -0.1250 198 PRO A N 1440 C CA . PRO A 181 ? 0.2882 0.2810 0.2327 -0.0302 0.0450 -0.1327 198 PRO A CA 1441 C C . PRO A 181 ? 0.3387 0.3325 0.2822 -0.0323 0.0388 -0.1282 198 PRO A C 1442 O O . PRO A 181 ? 0.3207 0.3092 0.2712 -0.0350 0.0388 -0.1325 198 PRO A O 1443 C CB . PRO A 181 ? 0.3050 0.3060 0.2426 -0.0340 0.0470 -0.1454 198 PRO A CB 1444 C CG . PRO A 181 ? 0.3472 0.3610 0.2717 -0.0333 0.0442 -0.1411 198 PRO A CG 1445 C CD . PRO A 181 ? 0.3108 0.3211 0.2374 -0.0283 0.0452 -0.1306 198 PRO A CD 1446 N N . ARG A 182 ? 0.3050 0.3056 0.2407 -0.0311 0.0337 -0.1195 199 ARG A N 1447 C CA . ARG A 182 ? 0.3547 0.3578 0.2890 -0.0330 0.0280 -0.1159 199 ARG A CA 1448 C C . ARG A 182 ? 0.3197 0.3125 0.2642 -0.0317 0.0273 -0.1098 199 ARG A C 1449 O O . ARG A 182 ? 0.3150 0.3069 0.2625 -0.0342 0.0247 -0.1107 199 ARG A O 1450 C CB . ARG A 182 ? 0.3280 0.3410 0.2521 -0.0318 0.0233 -0.1082 199 ARG A CB 1451 C CG . ARG A 182 ? 0.3380 0.3637 0.2518 -0.0345 0.0225 -0.1144 199 ARG A CG 1452 C CD . ARG A 182 ? 0.4414 0.4775 0.3459 -0.0331 0.0181 -0.1061 199 ARG A CD 1453 N NE . ARG A 182 ? 0.7317 0.7815 0.6267 -0.0364 0.0165 -0.1119 199 ARG A NE 1454 C CZ . ARG A 182 ? 0.8036 0.8652 0.6894 -0.0358 0.0135 -0.1065 199 ARG A CZ 1455 N NH1 . ARG A 182 ? 0.7760 0.8369 0.6612 -0.0321 0.0118 -0.0953 199 ARG A NH1 1456 N NH2 . ARG A 182 ? 0.7385 0.8133 0.6162 -0.0392 0.0122 -0.1124 199 ARG A NH2 1457 N N . VAL A 183 ? 0.2657 0.2517 0.2154 -0.0277 0.0296 -0.1033 200 VAL A N 1458 C CA . VAL A 183 ? 0.2733 0.2504 0.2326 -0.0261 0.0294 -0.0971 200 VAL A CA 1459 C C . VAL A 183 ? 0.3277 0.2953 0.2984 -0.0259 0.0351 -0.1018 200 VAL A C 1460 O O . VAL A 183 ? 0.2951 0.2611 0.2674 -0.0242 0.0396 -0.1047 200 VAL A O 1461 C CB . VAL A 183 ? 0.2807 0.2570 0.2390 -0.0220 0.0280 -0.0864 200 VAL A CB 1462 C CG1 . VAL A 183 ? 0.2831 0.2512 0.2513 -0.0204 0.0281 -0.0801 200 VAL A CG1 1463 C CG2 . VAL A 183 ? 0.3103 0.2948 0.2590 -0.0220 0.0227 -0.0815 200 VAL A CG2 1464 N N . GLN A 184 ? 0.2764 0.2382 0.2555 -0.0277 0.0350 -0.1023 201 GLN A N 1465 C CA . GLN A 184 ? 0.2989 0.2508 0.2909 -0.0276 0.0400 -0.1054 201 GLN A CA 1466 C C . GLN A 184 ? 0.3289 0.2749 0.3289 -0.0246 0.0395 -0.0947 201 GLN A C 1467 O O . GLN A 184 ? 0.3234 0.2690 0.3256 -0.0258 0.0364 -0.0905 201 GLN A O 1468 C CB . GLN A 184 ? 0.3089 0.2591 0.3055 -0.0324 0.0404 -0.1138 201 GLN A CB 1469 C CG . GLN A 184 ? 0.3302 0.2871 0.3192 -0.0361 0.0408 -0.1255 201 GLN A CG 1470 C CD . GLN A 184 ? 0.4094 0.3658 0.4022 -0.0414 0.0399 -0.1329 201 GLN A CD 1471 O OE1 . GLN A 184 ? 0.4506 0.4157 0.4356 -0.0444 0.0352 -0.1344 201 GLN A OE1 1472 N NE2 . GLN A 184 ? 0.3633 0.3098 0.3693 -0.0425 0.0443 -0.1371 201 GLN A NE2 1473 N N . TYR A 185 ? 0.3223 0.2651 0.3265 -0.0206 0.0425 -0.0901 202 TYR A N 1474 C CA . TYR A 185 ? 0.2972 0.2364 0.3077 -0.0176 0.0415 -0.0793 202 TYR A CA 1475 C C . TYR A 185 ? 0.3177 0.2488 0.3421 -0.0181 0.0442 -0.0781 202 TYR A C 1476 O O . TYR A 185 ? 0.3355 0.2656 0.3635 -0.0172 0.0419 -0.0696 202 TYR A O 1477 C CB . TYR A 185 ? 0.3156 0.2555 0.3260 -0.0134 0.0433 -0.0740 202 TYR A CB 1478 C CG . TYR A 185 ? 0.3029 0.2506 0.3011 -0.0126 0.0389 -0.0698 202 TYR A CG 1479 C CD1 . TYR A 185 ? 0.2981 0.2481 0.2932 -0.0122 0.0340 -0.0620 202 TYR A CD1 1480 C CD2 . TYR A 185 ? 0.3000 0.2530 0.2899 -0.0124 0.0397 -0.0738 202 TYR A CD2 1481 C CE1 . TYR A 185 ? 0.2814 0.2378 0.2666 -0.0116 0.0302 -0.0583 202 TYR A CE1 1482 C CE2 . TYR A 185 ? 0.2564 0.2163 0.2362 -0.0118 0.0357 -0.0693 202 TYR A CE2 1483 C CZ . TYR A 185 ? 0.2834 0.2444 0.2615 -0.0113 0.0310 -0.0615 202 TYR A CZ 1484 O OH . TYR A 185 ? 0.2840 0.2508 0.2535 -0.0107 0.0274 -0.0572 202 TYR A OH 1485 N N . SER A 186 ? 0.3439 0.2693 0.3761 -0.0197 0.0489 -0.0864 203 SER A N 1486 C CA . SER A 186 ? 0.3680 0.2853 0.4144 -0.0206 0.0515 -0.0852 203 SER A CA 1487 C C . SER A 186 ? 0.3511 0.2705 0.3957 -0.0243 0.0472 -0.0846 203 SER A C 1488 O O . SER A 186 ? 0.3527 0.2690 0.4052 -0.0240 0.0467 -0.0773 203 SER A O 1489 C CB . SER A 186 ? 0.4397 0.3499 0.4958 -0.0219 0.0578 -0.0953 203 SER A CB 1490 O OG . SER A 186 ? 0.6462 0.5490 0.7153 -0.0238 0.0595 -0.0949 203 SER A OG 1491 N N . LEU A 187 ? 0.3439 0.2696 0.3781 -0.0278 0.0442 -0.0916 204 LEU A N 1492 C CA . LEU A 187 ? 0.3206 0.2501 0.3520 -0.0311 0.0398 -0.0908 204 LEU A CA 1493 C C . LEU A 187 ? 0.3275 0.2611 0.3544 -0.0287 0.0353 -0.0794 204 LEU A C 1494 O O . LEU A 187 ? 0.3263 0.2586 0.3586 -0.0294 0.0340 -0.0741 204 LEU A O 1495 C CB . LEU A 187 ? 0.3316 0.2688 0.3519 -0.0348 0.0372 -0.1000 204 LEU A CB 1496 C CG . LEU A 187 ? 0.3868 0.3299 0.4032 -0.0384 0.0323 -0.1000 204 LEU A CG 1497 C CD1 . LEU A 187 ? 0.4177 0.3547 0.4466 -0.0415 0.0339 -0.1012 204 LEU A CD1 1498 C CD2 . LEU A 187 ? 0.4339 0.3853 0.4398 -0.0417 0.0302 -0.1092 204 LEU A CD2 1499 N N . LEU A 188 ? 0.2784 0.2169 0.2958 -0.0258 0.0332 -0.0757 205 LEU A N 1500 C CA . LEU A 188 ? 0.2439 0.1862 0.2569 -0.0235 0.0292 -0.0660 205 LEU A CA 1501 C C . LEU A 188 ? 0.2813 0.2188 0.3043 -0.0214 0.0307 -0.0575 205 LEU A C 1502 O O . LEU A 188 ? 0.2918 0.2314 0.3149 -0.0214 0.0278 -0.0513 205 LEU A O 1503 C CB . LEU A 188 ? 0.2783 0.2254 0.2815 -0.0208 0.0275 -0.0634 205 LEU A CB 1504 C CG . LEU A 188 ? 0.3266 0.2811 0.3179 -0.0223 0.0245 -0.0681 205 LEU A CG 1505 C CD1 . LEU A 188 ? 0.3080 0.2659 0.2922 -0.0194 0.0238 -0.0647 205 LEU A CD1 1506 C CD2 . LEU A 188 ? 0.4183 0.3777 0.4053 -0.0241 0.0197 -0.0659 205 LEU A CD2 1507 N N . ALA A 189 ? 0.2929 0.2247 0.3245 -0.0192 0.0352 -0.0569 206 ALA A N 1508 C CA . ALA A 189 ? 0.3058 0.2338 0.3477 -0.0169 0.0367 -0.0480 206 ALA A CA 1509 C C . ALA A 189 ? 0.2896 0.2147 0.3403 -0.0195 0.0370 -0.0466 206 ALA A C 1510 O O . ALA A 189 ? 0.3129 0.2386 0.3682 -0.0183 0.0361 -0.0377 206 ALA A O 1511 C CB . ALA A 189 ? 0.3210 0.2435 0.3721 -0.0141 0.0418 -0.0478 206 ALA A CB 1512 N N . ASP A 190 ? 0.2801 0.2024 0.3333 -0.0232 0.0384 -0.0554 207 ASP A N 1513 C CA . ASP A 190 ? 0.2796 0.1988 0.3421 -0.0263 0.0391 -0.0549 207 ASP A CA 1514 C C . ASP A 190 ? 0.3210 0.2471 0.3765 -0.0282 0.0341 -0.0518 207 ASP A C 1515 O O . ASP A 190 ? 0.3420 0.2673 0.4047 -0.0294 0.0340 -0.0469 207 ASP A O 1516 C CB . ASP A 190 ? 0.3276 0.2422 0.3950 -0.0303 0.0421 -0.0665 207 ASP A CB 1517 C CG . ASP A 190 ? 0.5070 0.4125 0.5865 -0.0289 0.0483 -0.0694 207 ASP A CG 1518 O OD1 . ASP A 190 ? 0.4877 0.3900 0.5749 -0.0250 0.0505 -0.0610 207 ASP A OD1 1519 O OD2 . ASP A 190 ? 0.5344 0.4366 0.6162 -0.0317 0.0511 -0.0805 207 ASP A OD2 1520 N N . ILE A 191 ? 0.2662 0.1992 0.3083 -0.0284 0.0301 -0.0544 208 ILE A N 1521 C CA . ILE A 191 ? 0.2642 0.2039 0.3003 -0.0300 0.0256 -0.0523 208 ILE A CA 1522 C C . ILE A 191 ? 0.2533 0.1986 0.2813 -0.0269 0.0220 -0.0443 208 ILE A C 1523 O O . ILE A 191 ? 0.2707 0.2208 0.2960 -0.0278 0.0190 -0.0413 208 ILE A O 1524 C CB . ILE A 191 ? 0.2819 0.2262 0.3103 -0.0335 0.0233 -0.0613 208 ILE A CB 1525 C CG1 . ILE A 191 ? 0.3102 0.2581 0.3277 -0.0317 0.0222 -0.0646 208 ILE A CG1 1526 C CG2 . ILE A 191 ? 0.3094 0.2488 0.3465 -0.0377 0.0265 -0.0701 208 ILE A CG2 1527 C CD1 . ILE A 191 ? 0.3888 0.3449 0.3961 -0.0337 0.0179 -0.0683 208 ILE A CD1 1528 N N . CYS A 192 ? 0.2369 0.1819 0.2618 -0.0234 0.0225 -0.0411 209 CYS A N 1529 C CA . CYS A 192 ? 0.2104 0.1607 0.2276 -0.0208 0.0191 -0.0347 209 CYS A CA 1530 C C . CYS A 192 ? 0.2310 0.1795 0.2534 -0.0176 0.0206 -0.0268 209 CYS A C 1531 O O . CYS A 192 ? 0.2475 0.1910 0.2767 -0.0164 0.0242 -0.0271 209 CYS A O 1532 C CB . CYS A 192 ? 0.2502 0.2037 0.2569 -0.0199 0.0174 -0.0386 209 CYS A CB 1533 S SG . CYS A 192 ? 0.2851 0.2429 0.2847 -0.0234 0.0151 -0.0472 209 CYS A SG 1534 N N . ASN A 193 ? 0.2110 0.1641 0.2300 -0.0162 0.0179 -0.0199 210 ASN A N 1535 C CA . ASN A 193 ? 0.2064 0.1600 0.2285 -0.0133 0.0185 -0.0124 210 ASN A CA 1536 C C . ASN A 193 ? 0.2292 0.1844 0.2444 -0.0111 0.0175 -0.0127 210 ASN A C 1537 O O . ASN A 193 ? 0.2067 0.1618 0.2254 -0.0087 0.0186 -0.0079 210 ASN A O 1538 C CB . ASN A 193 ? 0.2299 0.1889 0.2512 -0.0128 0.0161 -0.0051 210 ASN A CB 1539 C CG . ASN A 193 ? 0.2289 0.1870 0.2589 -0.0144 0.0177 -0.0019 210 ASN A CG 1540 O OD1 . ASN A 193 ? 0.2217 0.1834 0.2491 -0.0162 0.0158 -0.0021 210 ASN A OD1 1541 N ND2 . ASN A 193 ? 0.2282 0.1816 0.2694 -0.0138 0.0213 0.0013 210 ASN A ND2 1542 N N . LEU A 194 ? 0.2066 0.1642 0.2125 -0.0118 0.0152 -0.0177 211 LEU A N 1543 C CA . LEU A 194 ? 0.2063 0.1655 0.2058 -0.0101 0.0143 -0.0183 211 LEU A CA 1544 C C . LEU A 194 ? 0.2256 0.1866 0.2169 -0.0116 0.0126 -0.0245 211 LEU A C 1545 O O . LEU A 194 ? 0.2286 0.1911 0.2184 -0.0136 0.0111 -0.0272 211 LEU A O 1546 C CB . LEU A 194 ? 0.2038 0.1673 0.1997 -0.0084 0.0115 -0.0121 211 LEU A CB 1547 C CG . LEU A 194 ? 0.1851 0.1530 0.1750 -0.0092 0.0079 -0.0111 211 LEU A CG 1548 C CD1 . LEU A 194 ? 0.1959 0.1675 0.1807 -0.0077 0.0053 -0.0076 211 LEU A CD1 1549 C CD2 . LEU A 194 ? 0.2036 0.1725 0.1988 -0.0101 0.0081 -0.0077 211 LEU A CD2 1550 N N . TRP A 195 ? 0.2149 0.1765 0.2017 -0.0106 0.0129 -0.0266 212 TRP A N 1551 C CA . TRP A 195 ? 0.1911 0.1555 0.1702 -0.0119 0.0114 -0.0319 212 TRP A CA 1552 C C . TRP A 195 ? 0.2185 0.1856 0.1912 -0.0102 0.0101 -0.0301 212 TRP A C 1553 O O . TRP A 195 ? 0.1978 0.1636 0.1725 -0.0085 0.0119 -0.0281 212 TRP A O 1554 C CB . TRP A 195 ? 0.2153 0.1774 0.1961 -0.0135 0.0145 -0.0391 212 TRP A CB 1555 C CG . TRP A 195 ? 0.2099 0.1678 0.1968 -0.0120 0.0187 -0.0393 212 TRP A CG 1556 C CD1 . TRP A 195 ? 0.2286 0.1872 0.2131 -0.0103 0.0202 -0.0397 212 TRP A CD1 1557 C CD2 . TRP A 195 ? 0.2333 0.1858 0.2309 -0.0117 0.0221 -0.0385 212 TRP A CD2 1558 N NE1 . TRP A 195 ? 0.2554 0.2096 0.2484 -0.0088 0.0244 -0.0394 212 TRP A NE1 1559 C CE2 . TRP A 195 ? 0.2211 0.1711 0.2225 -0.0096 0.0256 -0.0386 212 TRP A CE2 1560 C CE3 . TRP A 195 ? 0.2421 0.1917 0.2471 -0.0130 0.0226 -0.0372 212 TRP A CE3 1561 C CZ2 . TRP A 195 ? 0.2635 0.2081 0.2761 -0.0085 0.0297 -0.0373 212 TRP A CZ2 1562 C CZ3 . TRP A 195 ? 0.2927 0.2367 0.3088 -0.0121 0.0266 -0.0356 212 TRP A CZ3 1563 C CH2 . TRP A 195 ? 0.2903 0.2318 0.3104 -0.0098 0.0301 -0.0357 212 TRP A CH2 1564 N N . ARG A 196 ? 0.2047 0.1758 0.1702 -0.0107 0.0070 -0.0308 213 ARG A N 1565 C CA . ARG A 196 ? 0.1945 0.1683 0.1542 -0.0095 0.0058 -0.0295 213 ARG A CA 1566 C C . ARG A 196 ? 0.2111 0.1862 0.1680 -0.0102 0.0079 -0.0344 213 ARG A C 1567 O O . ARG A 196 ? 0.2680 0.2457 0.2215 -0.0120 0.0071 -0.0387 213 ARG A O 1568 C CB . ARG A 196 ? 0.2247 0.2022 0.1792 -0.0096 0.0020 -0.0278 213 ARG A CB 1569 C CG . ARG A 196 ? 0.2028 0.1799 0.1588 -0.0085 0.0001 -0.0229 213 ARG A CG 1570 C CD . ARG A 196 ? 0.2009 0.1780 0.1560 -0.0069 -0.0002 -0.0191 213 ARG A CD 1571 N NE . ARG A 196 ? 0.1916 0.1708 0.1416 -0.0067 -0.0008 -0.0200 213 ARG A NE 1572 C CZ . ARG A 196 ? 0.1878 0.1697 0.1338 -0.0068 -0.0033 -0.0197 213 ARG A CZ 1573 N NH1 . ARG A 196 ? 0.1977 0.1802 0.1440 -0.0067 -0.0054 -0.0188 213 ARG A NH1 1574 N NH2 . ARG A 196 ? 0.1968 0.1814 0.1388 -0.0067 -0.0035 -0.0200 213 ARG A NH2 1575 N N . ASN A 197 ? 0.2302 0.2040 0.1886 -0.0088 0.0105 -0.0336 214 ASN A N 1576 C CA . ASN A 197 ? 0.3140 0.2892 0.2703 -0.0091 0.0134 -0.0384 214 ASN A CA 1577 C C . ASN A 197 ? 0.2397 0.2206 0.1878 -0.0091 0.0116 -0.0379 214 ASN A C 1578 O O . ASN A 197 ? 0.2409 0.2252 0.1850 -0.0101 0.0130 -0.0425 214 ASN A O 1579 C CB . ASN A 197 ? 0.3032 0.2758 0.2645 -0.0071 0.0169 -0.0366 214 ASN A CB 1580 C CG . ASN A 197 ? 0.3258 0.2932 0.2963 -0.0064 0.0190 -0.0352 214 ASN A CG 1581 O OD1 . ASN A 197 ? 0.3209 0.2872 0.2944 -0.0056 0.0172 -0.0297 214 ASN A OD1 1582 N ND2 . ASN A 197 ? 0.2548 0.2191 0.2303 -0.0065 0.0233 -0.0399 214 ASN A ND2 1583 N N . TYR A 198 ? 0.2169 0.1991 0.1631 -0.0080 0.0088 -0.0323 215 TYR A N 1584 C CA . TYR A 198 ? 0.2147 0.2012 0.1556 -0.0073 0.0080 -0.0299 215 TYR A CA 1585 C C . TYR A 198 ? 0.2106 0.1988 0.1487 -0.0070 0.0040 -0.0255 215 TYR A C 1586 O O . TYR A 198 ? 0.2179 0.2049 0.1571 -0.0074 0.0017 -0.0252 215 TYR A O 1587 C CB . TYR A 198 ? 0.2082 0.1933 0.1523 -0.0057 0.0107 -0.0273 215 TYR A CB 1588 C CG . TYR A 198 ? 0.2198 0.2094 0.1595 -0.0052 0.0112 -0.0253 215 TYR A CG 1589 C CD1 . TYR A 198 ? 0.2603 0.2549 0.1945 -0.0061 0.0125 -0.0291 215 TYR A CD1 1590 C CD2 . TYR A 198 ? 0.2409 0.2304 0.1819 -0.0041 0.0104 -0.0196 215 TYR A CD2 1591 C CE1 . TYR A 198 ? 0.3011 0.3009 0.2313 -0.0056 0.0131 -0.0266 215 TYR A CE1 1592 C CE2 . TYR A 198 ? 0.2623 0.2562 0.2000 -0.0038 0.0110 -0.0171 215 TYR A CE2 1593 C CZ . TYR A 198 ? 0.3417 0.3408 0.2739 -0.0044 0.0124 -0.0203 215 TYR A CZ 1594 O OH . TYR A 198 ? 0.3857 0.3899 0.3147 -0.0041 0.0132 -0.0172 215 TYR A OH 1595 N N . ASP A 199 ? 0.2118 0.2029 0.1469 -0.0062 0.0033 -0.0220 216 ASP A N 1596 C CA . ASP A 199 ? 0.2169 0.2097 0.1498 -0.0058 0.0000 -0.0179 216 ASP A CA 1597 C C . ASP A 199 ? 0.1996 0.1882 0.1364 -0.0051 -0.0017 -0.0150 216 ASP A C 1598 O O . ASP A 199 ? 0.2169 0.2023 0.1578 -0.0047 -0.0006 -0.0139 216 ASP A O 1599 C CB . ASP A 199 ? 0.2352 0.2309 0.1661 -0.0050 0.0004 -0.0138 216 ASP A CB 1600 C CG . ASP A 199 ? 0.4048 0.4066 0.3306 -0.0055 0.0020 -0.0157 216 ASP A CG 1601 O OD1 . ASP A 199 ? 0.3401 0.3450 0.2628 -0.0067 0.0021 -0.0203 216 ASP A OD1 1602 O OD2 . ASP A 199 ? 0.3861 0.3902 0.3112 -0.0049 0.0032 -0.0123 216 ASP A OD2 1603 N N . ASP A 200 ? 0.1961 0.1857 0.1318 -0.0049 -0.0046 -0.0135 217 ASP A N 1604 C CA . ASP A 200 ? 0.1933 0.1798 0.1319 -0.0043 -0.0064 -0.0112 217 ASP A CA 1605 C C . ASP A 200 ? 0.1693 0.1541 0.1099 -0.0038 -0.0060 -0.0077 217 ASP A C 1606 O O . ASP A 200 ? 0.2079 0.1945 0.1471 -0.0035 -0.0057 -0.0053 217 ASP A O 1607 C CB . ASP A 200 ? 0.1922 0.1805 0.1293 -0.0038 -0.0090 -0.0099 217 ASP A CB 1608 C CG . ASP A 200 ? 0.1782 0.1689 0.1142 -0.0044 -0.0100 -0.0128 217 ASP A CG 1609 O OD1 . ASP A 200 ? 0.2038 0.1949 0.1395 -0.0056 -0.0086 -0.0163 217 ASP A OD1 1610 O OD2 . ASP A 200 ? 0.2079 0.2000 0.1439 -0.0038 -0.0121 -0.0116 217 ASP A OD2 1611 N N . ILE A 201 ? 0.1665 0.1486 0.1107 -0.0038 -0.0061 -0.0071 218 ILE A N 1612 C CA . ILE A 201 ? 0.1895 0.1704 0.1359 -0.0037 -0.0064 -0.0041 218 ILE A CA 1613 C C . ILE A 201 ? 0.1928 0.1731 0.1392 -0.0035 -0.0087 -0.0025 218 ILE A C 1614 O O . ILE A 201 ? 0.2012 0.1813 0.1469 -0.0032 -0.0102 -0.0037 218 ILE A O 1615 C CB . ILE A 201 ? 0.1774 0.1570 0.1275 -0.0040 -0.0061 -0.0039 218 ILE A CB 1616 C CG1 . ILE A 201 ? 0.2003 0.1800 0.1532 -0.0043 -0.0059 -0.0010 218 ILE A CG1 1617 C CG2 . ILE A 201 ? 0.2078 0.1868 0.1585 -0.0042 -0.0081 -0.0048 218 ILE A CG2 1618 C CD1 . ILE A 201 ? 0.1956 0.1758 0.1523 -0.0044 -0.0049 -0.0002 218 ILE A CD1 1619 N N . GLN A 202 ? 0.1891 0.1690 0.1368 -0.0036 -0.0087 0.0004 219 GLN A N 1620 C CA . GLN A 202 ? 0.1938 0.1721 0.1433 -0.0035 -0.0104 0.0021 219 GLN A CA 1621 C C . GLN A 202 ? 0.1958 0.1723 0.1492 -0.0045 -0.0106 0.0031 219 GLN A C 1622 O O . GLN A 202 ? 0.1966 0.1742 0.1512 -0.0051 -0.0094 0.0036 219 GLN A O 1623 C CB . GLN A 202 ? 0.2002 0.1800 0.1487 -0.0029 -0.0102 0.0053 219 GLN A CB 1624 C CG . GLN A 202 ? 0.2282 0.2116 0.1724 -0.0022 -0.0100 0.0045 219 GLN A CG 1625 C CD . GLN A 202 ? 0.2885 0.2719 0.2321 -0.0015 -0.0118 0.0025 219 GLN A CD 1626 O OE1 . GLN A 202 ? 0.2762 0.2568 0.2225 -0.0011 -0.0131 0.0025 219 GLN A OE1 1627 N NE2 . GLN A 202 ? 0.2959 0.2827 0.2361 -0.0015 -0.0117 0.0004 219 GLN A NE2 1628 N N . ASP A 203 ? 0.1981 0.1722 0.1540 -0.0048 -0.0122 0.0033 220 ASP A N 1629 C CA . ASP A 203 ? 0.2022 0.1751 0.1618 -0.0064 -0.0128 0.0031 220 ASP A CA 1630 C C . ASP A 203 ? 0.1817 0.1546 0.1443 -0.0072 -0.0120 0.0067 220 ASP A C 1631 O O . ASP A 203 ? 0.1916 0.1621 0.1576 -0.0078 -0.0126 0.0081 220 ASP A O 1632 C CB . ASP A 203 ? 0.1717 0.1421 0.1331 -0.0066 -0.0145 0.0008 220 ASP A CB 1633 C CG . ASP A 203 ? 0.2215 0.1921 0.1855 -0.0085 -0.0154 -0.0009 220 ASP A CG 1634 O OD1 . ASP A 203 ? 0.2396 0.2125 0.2045 -0.0096 -0.0150 0.0004 220 ASP A OD1 1635 O OD2 . ASP A 203 ? 0.2168 0.1856 0.1821 -0.0089 -0.0166 -0.0038 220 ASP A OD2 1636 N N . SER A 204 ? 0.1694 0.1450 0.1312 -0.0071 -0.0102 0.0083 221 SER A N 1637 C CA . SER A 204 ? 0.1848 0.1615 0.1493 -0.0079 -0.0090 0.0119 221 SER A CA 1638 C C . SER A 204 ? 0.1923 0.1722 0.1570 -0.0079 -0.0071 0.0123 221 SER A C 1639 O O . SER A 204 ? 0.1808 0.1618 0.1427 -0.0068 -0.0061 0.0103 221 SER A O 1640 C CB . SER A 204 ? 0.1932 0.1707 0.1560 -0.0069 -0.0080 0.0150 221 SER A CB 1641 O OG . SER A 204 ? 0.2100 0.1907 0.1680 -0.0057 -0.0063 0.0143 221 SER A OG 1642 N N . TRP A 205 ? 0.1804 0.1617 0.1491 -0.0090 -0.0065 0.0150 222 TRP A N 1643 C CA . TRP A 205 ? 0.1849 0.1697 0.1551 -0.0088 -0.0043 0.0161 222 TRP A CA 1644 C C . TRP A 205 ? 0.1998 0.1866 0.1665 -0.0072 -0.0015 0.0167 222 TRP A C 1645 O O . TRP A 205 ? 0.2022 0.1908 0.1682 -0.0062 0.0005 0.0153 222 TRP A O 1646 C CB . TRP A 205 ? 0.1878 0.1743 0.1638 -0.0106 -0.0044 0.0190 222 TRP A CB 1647 C CG . TRP A 205 ? 0.1845 0.1751 0.1633 -0.0102 -0.0022 0.0206 222 TRP A CG 1648 C CD1 . TRP A 205 ? 0.2274 0.2211 0.2092 -0.0104 -0.0001 0.0240 222 TRP A CD1 1649 C CD2 . TRP A 205 ? 0.1889 0.1815 0.1690 -0.0093 -0.0018 0.0194 222 TRP A CD2 1650 N NE1 . TRP A 205 ? 0.2097 0.2070 0.1947 -0.0097 0.0017 0.0247 222 TRP A NE1 1651 C CE2 . TRP A 205 ? 0.1827 0.1792 0.1669 -0.0089 0.0007 0.0221 222 TRP A CE2 1652 C CE3 . TRP A 205 ? 0.1991 0.1907 0.1778 -0.0088 -0.0031 0.0169 222 TRP A CE3 1653 C CZ2 . TRP A 205 ? 0.2407 0.2400 0.2283 -0.0077 0.0018 0.0225 222 TRP A CZ2 1654 C CZ3 . TRP A 205 ? 0.2190 0.2133 0.2007 -0.0079 -0.0020 0.0176 222 TRP A CZ3 1655 C CH2 . TRP A 205 ? 0.2047 0.2026 0.1911 -0.0072 0.0003 0.0204 222 TRP A CH2 1656 N N . TRP A 206 ? 0.1768 0.1637 0.1414 -0.0071 -0.0013 0.0186 223 TRP A N 1657 C CA . TRP A 206 ? 0.1848 0.1750 0.1450 -0.0058 0.0011 0.0189 223 TRP A CA 1658 C C . TRP A 206 ? 0.2151 0.2049 0.1709 -0.0048 0.0013 0.0142 223 TRP A C 1659 O O . TRP A 206 ? 0.1984 0.1907 0.1521 -0.0040 0.0039 0.0123 223 TRP A O 1660 C CB . TRP A 206 ? 0.2524 0.2435 0.2109 -0.0058 0.0006 0.0222 223 TRP A CB 1661 C CG . TRP A 206 ? 0.2501 0.2462 0.2034 -0.0049 0.0029 0.0226 223 TRP A CG 1662 C CD1 . TRP A 206 ? 0.4242 0.4252 0.3773 -0.0049 0.0056 0.0258 223 TRP A CD1 1663 C CD2 . TRP A 206 ? 0.2998 0.2975 0.2470 -0.0040 0.0027 0.0192 223 TRP A CD2 1664 N NE1 . TRP A 206 ? 0.4175 0.4233 0.3642 -0.0040 0.0071 0.0244 223 TRP A NE1 1665 C CE2 . TRP A 206 ? 0.4003 0.4042 0.3435 -0.0036 0.0053 0.0202 223 TRP A CE2 1666 C CE3 . TRP A 206 ? 0.3685 0.3637 0.3136 -0.0036 0.0007 0.0155 223 TRP A CE3 1667 C CZ2 . TRP A 206 ? 0.6068 0.6146 0.5437 -0.0032 0.0057 0.0171 223 TRP A CZ2 1668 C CZ3 . TRP A 206 ? 0.4872 0.4858 0.4266 -0.0032 0.0011 0.0127 223 TRP A CZ3 1669 C CH2 . TRP A 206 ? 0.5652 0.5700 0.5005 -0.0031 0.0034 0.0133 223 TRP A CH2 1670 N N . SER A 207 ? 0.1812 0.1678 0.1362 -0.0048 -0.0011 0.0121 224 SER A N 1671 C CA . SER A 207 ? 0.1908 0.1769 0.1426 -0.0041 -0.0011 0.0080 224 SER A CA 1672 C C . SER A 207 ? 0.1585 0.1444 0.1127 -0.0039 0.0004 0.0060 224 SER A C 1673 O O . SER A 207 ? 0.1963 0.1831 0.1487 -0.0033 0.0026 0.0033 224 SER A O 1674 C CB . SER A 207 ? 0.2078 0.1913 0.1587 -0.0042 -0.0040 0.0066 224 SER A CB 1675 O OG . SER A 207 ? 0.2203 0.2036 0.1687 -0.0038 -0.0039 0.0029 224 SER A OG 1676 N N . VAL A 208 ? 0.1871 0.1720 0.1458 -0.0044 -0.0004 0.0074 225 VAL A N 1677 C CA . VAL A 208 ? 0.1980 0.1834 0.1601 -0.0040 0.0011 0.0068 225 VAL A CA 1678 C C . VAL A 208 ? 0.1899 0.1777 0.1531 -0.0031 0.0048 0.0072 225 VAL A C 1679 O O . VAL A 208 ? 0.2118 0.1993 0.1757 -0.0021 0.0071 0.0048 225 VAL A O 1680 C CB . VAL A 208 ? 0.2016 0.1877 0.1684 -0.0049 -0.0006 0.0091 225 VAL A CB 1681 C CG1 . VAL A 208 ? 0.2039 0.1916 0.1752 -0.0041 0.0009 0.0098 225 VAL A CG1 1682 C CG2 . VAL A 208 ? 0.2165 0.2007 0.1819 -0.0058 -0.0039 0.0078 225 VAL A CG2 1683 N N . LEU A 209 ? 0.1839 0.1740 0.1476 -0.0034 0.0056 0.0100 226 LEU A N 1684 C CA . LEU A 209 ? 0.2153 0.2085 0.1799 -0.0025 0.0095 0.0103 226 LEU A CA 1685 C C . LEU A 209 ? 0.2154 0.2094 0.1747 -0.0017 0.0117 0.0065 226 LEU A C 1686 O O . LEU A 209 ? 0.2362 0.2312 0.1967 -0.0007 0.0152 0.0041 226 LEU A O 1687 C CB . LEU A 209 ? 0.2157 0.2119 0.1816 -0.0032 0.0099 0.0146 226 LEU A CB 1688 C CG . LEU A 209 ? 0.2389 0.2356 0.2112 -0.0043 0.0085 0.0181 226 LEU A CG 1689 C CD1 . LEU A 209 ? 0.2338 0.2333 0.2073 -0.0053 0.0092 0.0223 226 LEU A CD1 1690 C CD2 . LEU A 209 ? 0.2743 0.2728 0.2521 -0.0033 0.0105 0.0183 226 LEU A CD2 1691 N N A SER A 210 ? 0.1885 0.1823 0.1424 -0.0023 0.0097 0.0056 227 SER A N 1692 N N B SER A 210 ? 0.2045 0.1984 0.1584 -0.0023 0.0098 0.0056 227 SER A N 1693 C CA A SER A 210 ? 0.1901 0.1859 0.1384 -0.0020 0.0112 0.0017 227 SER A CA 1694 C CA B SER A 210 ? 0.2318 0.2276 0.1802 -0.0020 0.0113 0.0017 227 SER A CA 1695 C C A SER A 210 ? 0.2298 0.2228 0.1791 -0.0017 0.0123 -0.0032 227 SER A C 1696 C C B SER A 210 ? 0.2364 0.2294 0.1859 -0.0017 0.0123 -0.0032 227 SER A C 1697 O O A SER A 210 ? 0.2328 0.2273 0.1808 -0.0013 0.0154 -0.0071 227 SER A O 1698 O O B SER A 210 ? 0.2268 0.2212 0.1751 -0.0013 0.0155 -0.0071 227 SER A O 1699 C CB A SER A 210 ? 0.2371 0.2335 0.1805 -0.0027 0.0081 0.0023 227 SER A CB 1700 C CB B SER A 210 ? 0.2866 0.2835 0.2299 -0.0026 0.0085 0.0024 227 SER A CB 1701 O OG A SER A 210 ? 0.2135 0.2127 0.1516 -0.0028 0.0089 -0.0017 227 SER A OG 1702 O OG B SER A 210 ? 0.3134 0.3067 0.2568 -0.0029 0.0056 0.0008 227 SER A OG 1703 N N . ILE A 211 ? 0.1907 0.1800 0.1426 -0.0019 0.0099 -0.0030 228 ILE A N 1704 C CA . ILE A 211 ? 0.1875 0.1738 0.1416 -0.0016 0.0107 -0.0066 228 ILE A CA 1705 C C . ILE A 211 ? 0.1964 0.1822 0.1567 -0.0005 0.0142 -0.0065 228 ILE A C 1706 O O . ILE A 211 ? 0.1987 0.1834 0.1604 0.0000 0.0172 -0.0104 228 ILE A O 1707 C CB . ILE A 211 ? 0.2056 0.1892 0.1611 -0.0021 0.0073 -0.0055 228 ILE A CB 1708 C CG1 . ILE A 211 ? 0.2384 0.2225 0.1885 -0.0029 0.0045 -0.0064 228 ILE A CG1 1709 C CG2 . ILE A 211 ? 0.2214 0.2024 0.1808 -0.0018 0.0084 -0.0075 228 ILE A CG2 1710 C CD1 . ILE A 211 ? 0.2160 0.1982 0.1668 -0.0033 0.0011 -0.0050 228 ILE A CD1 1711 N N A LEU A 212 ? 0.1994 0.1860 0.1641 -0.0001 0.0139 -0.0020 229 LEU A N 1712 N N B LEU A 212 ? 0.2016 0.1882 0.1664 -0.0001 0.0139 -0.0020 229 LEU A N 1713 C CA A LEU A 212 ? 0.2049 0.1919 0.1764 0.0012 0.0170 -0.0009 229 LEU A CA 1714 C CA B LEU A 212 ? 0.2105 0.1976 0.1820 0.0013 0.0172 -0.0010 229 LEU A CA 1715 C C A LEU A 212 ? 0.1751 0.1641 0.1460 0.0022 0.0215 -0.0037 229 LEU A C 1716 C C B LEU A 212 ? 0.2626 0.2515 0.2331 0.0021 0.0216 -0.0041 229 LEU A C 1717 O O A LEU A 212 ? 0.2054 0.1931 0.1810 0.0035 0.0251 -0.0059 229 LEU A O 1718 O O B LEU A 212 ? 0.2703 0.2577 0.2450 0.0034 0.0251 -0.0068 229 LEU A O 1719 C CB A LEU A 212 ? 0.2396 0.2289 0.2155 0.0011 0.0155 0.0044 229 LEU A CB 1720 C CB B LEU A 212 ? 0.1943 0.1839 0.1702 0.0013 0.0161 0.0043 229 LEU A CB 1721 C CG A LEU A 212 ? 0.2423 0.2332 0.2263 0.0027 0.0183 0.0069 229 LEU A CG 1722 C CG B LEU A 212 ? 0.2244 0.2134 0.2033 0.0006 0.0125 0.0072 229 LEU A CG 1723 C CD1 A LEU A 212 ? 0.1875 0.1761 0.1766 0.0035 0.0180 0.0073 229 LEU A CD1 1724 C CD1 B LEU A 212 ? 0.2292 0.2214 0.2108 -0.0001 0.0111 0.0116 229 LEU A CD1 1725 C CD2 A LEU A 212 ? 0.1846 0.1792 0.1717 0.0020 0.0167 0.0119 229 LEU A CD2 1726 C CD2 B LEU A 212 ? 0.1970 0.1848 0.1820 0.0019 0.0140 0.0076 229 LEU A CD2 1727 N N . ASN A 213 ? 0.1943 0.1868 0.1597 0.0015 0.0216 -0.0035 230 ASN A N 1728 C CA . ASN A 213 ? 0.2415 0.2375 0.2048 0.0022 0.0259 -0.0064 230 ASN A CA 1729 C C . ASN A 213 ? 0.2513 0.2459 0.2118 0.0021 0.0280 -0.0134 230 ASN A C 1730 O O . ASN A 213 ? 0.2468 0.2417 0.2099 0.0032 0.0325 -0.0171 230 ASN A O 1731 C CB . ASN A 213 ? 0.2623 0.2631 0.2195 0.0012 0.0250 -0.0041 230 ASN A CB 1732 C CG . ASN A 213 ? 0.4923 0.4982 0.4466 0.0018 0.0295 -0.0067 230 ASN A CG 1733 O OD1 . ASN A 213 ? 0.5289 0.5366 0.4880 0.0031 0.0332 -0.0060 230 ASN A OD1 1734 N ND2 . ASN A 213 ? 0.4962 0.5054 0.4427 0.0009 0.0293 -0.0098 230 ASN A ND2 1735 N N . TRP A 214 ? 0.2258 0.2187 0.1816 0.0007 0.0249 -0.0155 231 TRP A N 1736 C CA . TRP A 214 ? 0.2227 0.2147 0.1758 0.0000 0.0264 -0.0224 231 TRP A CA 1737 C C . TRP A 214 ? 0.2592 0.2458 0.2201 0.0009 0.0287 -0.0248 231 TRP A C 1738 O O . TRP A 214 ? 0.2385 0.2243 0.2012 0.0012 0.0328 -0.0305 231 TRP A O 1739 C CB . TRP A 214 ? 0.2680 0.2602 0.2154 -0.0016 0.0222 -0.0232 231 TRP A CB 1740 C CG . TRP A 214 ? 0.2347 0.2276 0.1784 -0.0029 0.0232 -0.0302 231 TRP A CG 1741 C CD1 . TRP A 214 ? 0.3161 0.3150 0.2528 -0.0040 0.0240 -0.0339 231 TRP A CD1 1742 C CD2 . TRP A 214 ? 0.2442 0.2324 0.1913 -0.0037 0.0233 -0.0345 231 TRP A CD2 1743 N NE1 . TRP A 214 ? 0.2623 0.2605 0.1978 -0.0056 0.0245 -0.0408 231 TRP A NE1 1744 C CE2 . TRP A 214 ? 0.2793 0.2705 0.2214 -0.0054 0.0241 -0.0412 231 TRP A CE2 1745 C CE3 . TRP A 214 ? 0.2507 0.2331 0.2049 -0.0032 0.0228 -0.0329 231 TRP A CE3 1746 C CZ2 . TRP A 214 ? 0.2674 0.2553 0.2120 -0.0069 0.0246 -0.0468 231 TRP A CZ2 1747 C CZ3 . TRP A 214 ? 0.2788 0.2578 0.2355 -0.0044 0.0234 -0.0377 231 TRP A CZ3 1748 C CH2 . TRP A 214 ? 0.2650 0.2464 0.2171 -0.0063 0.0242 -0.0448 231 TRP A CH2 1749 N N . PHE A 215 ? 0.2297 0.2129 0.1957 0.0013 0.0264 -0.0204 232 PHE A N 1750 C CA . PHE A 215 ? 0.2281 0.2068 0.2027 0.0024 0.0286 -0.0210 232 PHE A CA 1751 C C . PHE A 215 ? 0.2857 0.2647 0.2671 0.0046 0.0336 -0.0210 232 PHE A C 1752 O O . PHE A 215 ? 0.2943 0.2698 0.2814 0.0054 0.0374 -0.0249 232 PHE A O 1753 C CB . PHE A 215 ? 0.2391 0.2159 0.2173 0.0025 0.0250 -0.0155 232 PHE A CB 1754 C CG . PHE A 215 ? 0.2351 0.2096 0.2107 0.0009 0.0222 -0.0173 232 PHE A CG 1755 C CD1 . PHE A 215 ? 0.4409 0.4114 0.4226 0.0011 0.0233 -0.0181 232 PHE A CD1 1756 C CD2 . PHE A 215 ? 0.2399 0.2163 0.2078 -0.0005 0.0187 -0.0179 232 PHE A CD2 1757 C CE1 . PHE A 215 ? 0.3582 0.3271 0.3379 -0.0004 0.0208 -0.0196 232 PHE A CE1 1758 C CE2 . PHE A 215 ? 0.3037 0.2786 0.2697 -0.0018 0.0162 -0.0196 232 PHE A CE2 1759 C CZ . PHE A 215 ? 0.3442 0.3154 0.3159 -0.0019 0.0173 -0.0206 232 PHE A CZ 1760 N N . VAL A 216 ? 0.2359 0.2189 0.2174 0.0055 0.0339 -0.0169 233 VAL A N 1761 C CA . VAL A 216 ? 0.2406 0.2247 0.2290 0.0077 0.0387 -0.0164 233 VAL A CA 1762 C C . VAL A 216 ? 0.2689 0.2546 0.2542 0.0079 0.0435 -0.0235 233 VAL A C 1763 O O . VAL A 216 ? 0.3133 0.2971 0.3053 0.0097 0.0484 -0.0266 233 VAL A O 1764 C CB . VAL A 216 ? 0.3029 0.2917 0.2933 0.0084 0.0378 -0.0097 233 VAL A CB 1765 C CG1 . VAL A 216 ? 0.3465 0.3373 0.3441 0.0108 0.0430 -0.0094 233 VAL A CG1 1766 C CG2 . VAL A 216 ? 0.3713 0.3591 0.3660 0.0082 0.0337 -0.0037 233 VAL A CG2 1767 N N . GLU A 217 ? 0.2486 0.2383 0.2240 0.0061 0.0421 -0.0259 234 GLU A N 1768 C CA . GLU A 217 ? 0.2817 0.2746 0.2525 0.0058 0.0462 -0.0330 234 GLU A CA 1769 C C . GLU A 217 ? 0.2807 0.2686 0.2541 0.0054 0.0487 -0.0409 234 GLU A C 1770 O O . GLU A 217 ? 0.3101 0.2988 0.2845 0.0059 0.0538 -0.0474 234 GLU A O 1771 C CB . GLU A 217 ? 0.3372 0.3357 0.2966 0.0036 0.0433 -0.0336 234 GLU A CB 1772 C CG . GLU A 217 ? 0.5015 0.5062 0.4578 0.0038 0.0423 -0.0273 234 GLU A CG 1773 C CD . GLU A 217 ? 0.6934 0.7032 0.6394 0.0018 0.0390 -0.0267 234 GLU A CD 1774 O OE1 . GLU A 217 ? 0.5977 0.6058 0.5396 0.0003 0.0362 -0.0299 234 GLU A OE1 1775 O OE2 . GLU A 217 ? 0.7964 0.8122 0.7392 0.0018 0.0392 -0.0224 234 GLU A OE2 1776 N N . HIS A 218 ? 0.2344 0.2173 0.2090 0.0042 0.0453 -0.0406 235 HIS A N 1777 C CA . HIS A 218 ? 0.2398 0.2179 0.2171 0.0032 0.0472 -0.0478 235 HIS A CA 1778 C C . HIS A 218 ? 0.2437 0.2147 0.2327 0.0047 0.0484 -0.0454 235 HIS A C 1779 O O . HIS A 218 ? 0.2537 0.2197 0.2458 0.0036 0.0488 -0.0495 235 HIS A O 1780 C CB . HIS A 218 ? 0.2623 0.2415 0.2313 0.0002 0.0428 -0.0504 235 HIS A CB 1781 C CG . HIS A 218 ? 0.2509 0.2379 0.2089 -0.0011 0.0412 -0.0515 235 HIS A CG 1782 N ND1 . HIS A 218 ? 0.3215 0.3132 0.2746 -0.0020 0.0446 -0.0589 235 HIS A ND1 1783 C CD2 . HIS A 218 ? 0.2431 0.2345 0.1945 -0.0016 0.0369 -0.0458 235 HIS A CD2 1784 C CE1 . HIS A 218 ? 0.2806 0.2800 0.2242 -0.0030 0.0422 -0.0569 235 HIS A CE1 1785 N NE2 . HIS A 218 ? 0.2990 0.2978 0.2419 -0.0027 0.0375 -0.0489 235 HIS A NE2 1786 N N . GLN A 219 ? 0.2351 0.2060 0.2312 0.0073 0.0492 -0.0386 236 GLN A N 1787 C CA . GLN A 219 ? 0.2338 0.1994 0.2410 0.0089 0.0498 -0.0345 236 GLN A CA 1788 C C . GLN A 219 ? 0.2322 0.1920 0.2488 0.0100 0.0556 -0.0404 236 GLN A C 1789 O O . GLN A 219 ? 0.2523 0.2068 0.2769 0.0103 0.0557 -0.0387 236 GLN A O 1790 C CB . GLN A 219 ? 0.2461 0.2144 0.2590 0.0113 0.0491 -0.0257 236 GLN A CB 1791 C CG . GLN A 219 ? 0.2512 0.2223 0.2688 0.0138 0.0541 -0.0259 236 GLN A CG 1792 C CD . GLN A 219 ? 0.2750 0.2499 0.2979 0.0156 0.0527 -0.0169 236 GLN A CD 1793 O OE1 . GLN A 219 ? 0.2756 0.2516 0.2974 0.0147 0.0477 -0.0109 236 GLN A OE1 1794 N NE2 . GLN A 219 ? 0.2592 0.2368 0.2883 0.0182 0.0572 -0.0162 236 GLN A NE2 1795 N N . ASP A 220 ? 0.2567 0.2177 0.2728 0.0106 0.0606 -0.0474 237 ASP A N 1796 C CA . ASP A 220 ? 0.2618 0.2165 0.2871 0.0114 0.0664 -0.0543 237 ASP A CA 1797 C C . ASP A 220 ? 0.2897 0.2394 0.3137 0.0082 0.0649 -0.0600 237 ASP A C 1798 O O . ASP A 220 ? 0.3032 0.2459 0.3378 0.0087 0.0681 -0.0624 237 ASP A O 1799 C CB . ASP A 220 ? 0.2915 0.2490 0.3147 0.0120 0.0721 -0.0625 237 ASP A CB 1800 C CG . ASP A 220 ? 0.3893 0.3506 0.4173 0.0156 0.0752 -0.0576 237 ASP A CG 1801 O OD1 . ASP A 220 ? 0.3825 0.3437 0.4177 0.0178 0.0735 -0.0481 237 ASP A OD1 1802 O OD2 . ASP A 220 ? 0.4321 0.3976 0.4568 0.0161 0.0795 -0.0633 237 ASP A OD2 1803 N N . ILE A 221 ? 0.2706 0.2242 0.2825 0.0050 0.0601 -0.0619 238 ILE A N 1804 C CA . ILE A 221 ? 0.2720 0.2224 0.2822 0.0018 0.0580 -0.0667 238 ILE A CA 1805 C C . ILE A 221 ? 0.2906 0.2384 0.3039 0.0016 0.0533 -0.0585 238 ILE A C 1806 O O . ILE A 221 ? 0.2884 0.2306 0.3084 0.0005 0.0537 -0.0597 238 ILE A O 1807 C CB . ILE A 221 ? 0.3445 0.3015 0.3407 -0.0014 0.0549 -0.0721 238 ILE A CB 1808 C CG1 . ILE A 221 ? 0.4813 0.4420 0.4734 -0.0017 0.0595 -0.0810 238 ILE A CG1 1809 C CG2 . ILE A 221 ? 0.4276 0.3822 0.4222 -0.0049 0.0519 -0.0759 238 ILE A CG2 1810 C CD1 . ILE A 221 ? 0.3381 0.2926 0.3390 -0.0021 0.0655 -0.0904 238 ILE A CD1 1811 N N . LEU A 222 ? 0.2408 0.1930 0.2494 0.0025 0.0491 -0.0503 239 LEU A N 1812 C CA . LEU A 222 ? 0.2517 0.2035 0.2604 0.0018 0.0441 -0.0435 239 LEU A CA 1813 C C . LEU A 222 ? 0.2652 0.2133 0.2856 0.0042 0.0452 -0.0363 239 LEU A C 1814 O O . LEU A 222 ? 0.2545 0.2001 0.2785 0.0034 0.0432 -0.0331 239 LEU A O 1815 C CB . LEU A 222 ? 0.2434 0.2013 0.2421 0.0014 0.0391 -0.0386 239 LEU A CB 1816 C CG . LEU A 222 ? 0.2573 0.2199 0.2443 -0.0007 0.0374 -0.0440 239 LEU A CG 1817 C CD1 . LEU A 222 ? 0.3151 0.2828 0.2947 -0.0006 0.0329 -0.0382 239 LEU A CD1 1818 C CD2 . LEU A 222 ? 0.3334 0.2945 0.3177 -0.0036 0.0358 -0.0495 239 LEU A CD2 1819 N N . GLN A 223 ? 0.2548 0.2035 0.2816 0.0072 0.0484 -0.0331 240 GLN A N 1820 C CA . GLN A 223 ? 0.2645 0.2116 0.3024 0.0097 0.0489 -0.0249 240 GLN A CA 1821 C C . GLN A 223 ? 0.2707 0.2108 0.3195 0.0098 0.0518 -0.0258 240 GLN A C 1822 O O . GLN A 223 ? 0.2804 0.2201 0.3343 0.0101 0.0497 -0.0188 240 GLN A O 1823 C CB . GLN A 223 ? 0.2619 0.2117 0.3054 0.0130 0.0519 -0.0212 240 GLN A CB 1824 C CG . GLN A 223 ? 0.2551 0.2050 0.3102 0.0157 0.0521 -0.0117 240 GLN A CG 1825 C CD . GLN A 223 ? 0.2652 0.2084 0.3341 0.0174 0.0570 -0.0121 240 GLN A CD 1826 O OE1 . GLN A 223 ? 0.2917 0.2301 0.3641 0.0178 0.0621 -0.0200 240 GLN A OE1 1827 N NE2 . GLN A 223 ? 0.2470 0.1902 0.3244 0.0187 0.0557 -0.0035 240 GLN A NE2 1828 N N . PRO A 224 ? 0.2675 0.2025 0.3206 0.0094 0.0569 -0.0343 241 PRO A N 1829 C CA . PRO A 224 ? 0.2592 0.1869 0.3248 0.0096 0.0602 -0.0349 241 PRO A CA 1830 C C . PRO A 224 ? 0.2694 0.1950 0.3331 0.0063 0.0568 -0.0352 241 PRO A C 1831 O O . PRO A 224 ? 0.2884 0.2090 0.3631 0.0067 0.0584 -0.0319 241 PRO A O 1832 C CB . PRO A 224 ? 0.3072 0.2303 0.3760 0.0094 0.0662 -0.0460 241 PRO A CB 1833 C CG . PRO A 224 ? 0.3423 0.2712 0.4035 0.0107 0.0671 -0.0481 241 PRO A CG 1834 C CD . PRO A 224 ? 0.2908 0.2269 0.3396 0.0095 0.0606 -0.0429 241 PRO A CD 1835 N N . VAL A 225 ? 0.2828 0.2123 0.3334 0.0033 0.0525 -0.0390 242 VAL A N 1836 C CA . VAL A 225 ? 0.2670 0.1951 0.3155 0.0000 0.0497 -0.0406 242 VAL A CA 1837 C C . VAL A 225 ? 0.2671 0.1979 0.3157 0.0002 0.0452 -0.0306 242 VAL A C 1838 O O . VAL A 225 ? 0.3079 0.2368 0.3587 -0.0017 0.0439 -0.0300 242 VAL A O 1839 C CB . VAL A 225 ? 0.3172 0.2489 0.3524 -0.0033 0.0470 -0.0488 242 VAL A CB 1840 C CG1 . VAL A 225 ? 0.4315 0.3612 0.4668 -0.0040 0.0517 -0.0594 242 VAL A CG1 1841 C CG2 . VAL A 225 ? 0.3416 0.2807 0.3648 -0.0029 0.0423 -0.0449 242 VAL A CG2 1842 N N . ALA A 226 ? 0.2644 0.2001 0.3106 0.0025 0.0430 -0.0232 243 ALA A N 1843 C CA . ALA A 226 ? 0.2233 0.1627 0.2690 0.0028 0.0389 -0.0142 243 ALA A CA 1844 C C . ALA A 226 ? 0.2539 0.1908 0.3133 0.0047 0.0412 -0.0068 243 ALA A C 1845 O O . ALA A 226 ? 0.2564 0.1905 0.3256 0.0073 0.0454 -0.0054 243 ALA A O 1846 C CB . ALA A 226 ? 0.2408 0.1868 0.2791 0.0041 0.0356 -0.0098 243 ALA A CB 1847 N N . GLY A 227 ? 0.2361 0.1744 0.2965 0.0035 0.0386 -0.0017 244 GLY A N 1848 C CA . GLY A 227 ? 0.2504 0.1885 0.3227 0.0054 0.0399 0.0074 244 GLY A CA 1849 C C . GLY A 227 ? 0.2426 0.1836 0.3129 0.0033 0.0366 0.0117 244 GLY A C 1850 O O . GLY A 227 ? 0.2427 0.1856 0.3026 0.0007 0.0333 0.0072 244 GLY A O 1851 N N . PRO A 228 ? 0.2433 0.1854 0.3234 0.0046 0.0374 0.0208 245 PRO A N 1852 C CA . PRO A 228 ? 0.2504 0.1964 0.3295 0.0029 0.0346 0.0261 245 PRO A CA 1853 C C . PRO A 228 ? 0.2313 0.1734 0.3071 -0.0005 0.0344 0.0186 245 PRO A C 1854 O O . PRO A 228 ? 0.2657 0.2002 0.3491 -0.0014 0.0382 0.0136 245 PRO A O 1855 C CB . PRO A 228 ? 0.2755 0.2206 0.3696 0.0050 0.0376 0.0355 245 PRO A CB 1856 C CG . PRO A 228 ? 0.2682 0.2141 0.3671 0.0085 0.0394 0.0385 245 PRO A CG 1857 C CD . PRO A 228 ? 0.2923 0.2328 0.3862 0.0080 0.0412 0.0274 245 PRO A CD 1858 N N . GLY A 229 ? 0.2326 0.1800 0.2972 -0.0024 0.0301 0.0176 246 GLY A N 1859 C CA . GLY A 229 ? 0.2424 0.1880 0.3027 -0.0057 0.0291 0.0112 246 GLY A CA 1860 C C . GLY A 229 ? 0.2583 0.2018 0.3098 -0.0073 0.0285 0.0008 246 GLY A C 1861 O O . GLY A 229 ? 0.2303 0.1736 0.2779 -0.0101 0.0273 -0.0043 246 GLY A O 1862 N N . HIS A 230 ? 0.2459 0.1887 0.2943 -0.0055 0.0293 -0.0019 247 HIS A N 1863 C CA . HIS A 230 ? 0.2205 0.1624 0.2606 -0.0068 0.0289 -0.0113 247 HIS A CA 1864 C C . HIS A 230 ? 0.2257 0.1703 0.2597 -0.0046 0.0282 -0.0113 247 HIS A C 1865 O O . HIS A 230 ? 0.2279 0.1695 0.2671 -0.0028 0.0317 -0.0121 247 HIS A O 1866 C CB . HIS A 230 ? 0.2526 0.1875 0.2994 -0.0085 0.0331 -0.0190 247 HIS A CB 1867 C CG . HIS A 230 ? 0.2527 0.1820 0.3119 -0.0062 0.0381 -0.0173 247 HIS A CG 1868 N ND1 . HIS A 230 ? 0.4150 0.3393 0.4875 -0.0063 0.0412 -0.0139 247 HIS A ND1 1869 C CD2 . HIS A 230 ? 0.2179 0.1456 0.2790 -0.0037 0.0409 -0.0188 247 HIS A CD2 1870 C CE1 . HIS A 230 ? 0.3009 0.2207 0.3833 -0.0036 0.0456 -0.0129 247 HIS A CE1 1871 N NE2 . HIS A 230 ? 0.3455 0.2674 0.4210 -0.0020 0.0456 -0.0160 247 HIS A NE2 1872 N N . TRP A 231 ? 0.2093 0.1593 0.2328 -0.0049 0.0240 -0.0105 248 TRP A N 1873 C CA . TRP A 231 ? 0.2146 0.1679 0.2325 -0.0031 0.0227 -0.0090 248 TRP A CA 1874 C C . TRP A 231 ? 0.2119 0.1665 0.2198 -0.0041 0.0215 -0.0155 248 TRP A C 1875 O O . TRP A 231 ? 0.2133 0.1689 0.2154 -0.0062 0.0194 -0.0195 248 TRP A O 1876 C CB . TRP A 231 ? 0.2011 0.1602 0.2154 -0.0025 0.0189 -0.0021 248 TRP A CB 1877 C CG . TRP A 231 ? 0.1972 0.1572 0.2197 -0.0018 0.0194 0.0049 248 TRP A CG 1878 C CD1 . TRP A 231 ? 0.1996 0.1613 0.2229 -0.0031 0.0180 0.0075 248 TRP A CD1 1879 C CD2 . TRP A 231 ? 0.1924 0.1522 0.2245 0.0005 0.0219 0.0110 248 TRP A CD2 1880 N NE1 . TRP A 231 ? 0.2175 0.1803 0.2497 -0.0019 0.0194 0.0150 248 TRP A NE1 1881 C CE2 . TRP A 231 ? 0.1971 0.1588 0.2352 0.0004 0.0217 0.0174 248 TRP A CE2 1882 C CE3 . TRP A 231 ? 0.1988 0.1576 0.2354 0.0027 0.0244 0.0119 248 TRP A CE3 1883 C CZ2 . TRP A 231 ? 0.2321 0.1949 0.2804 0.0025 0.0236 0.0253 248 TRP A CZ2 1884 C CZ3 . TRP A 231 ? 0.2421 0.2017 0.2894 0.0050 0.0264 0.0193 248 TRP A CZ3 1885 C CH2 . TRP A 231 ? 0.2189 0.1806 0.2720 0.0049 0.0259 0.0262 248 TRP A CH2 1886 N N . ASN A 232 ? 0.2068 0.1623 0.2132 -0.0025 0.0226 -0.0159 249 ASN A N 1887 C CA . ASN A 232 ? 0.2045 0.1631 0.2009 -0.0031 0.0206 -0.0193 249 ASN A CA 1888 C C . ASN A 232 ? 0.2245 0.1874 0.2152 -0.0031 0.0162 -0.0145 249 ASN A C 1889 O O . ASN A 232 ? 0.2173 0.1818 0.2114 -0.0020 0.0153 -0.0086 249 ASN A O 1890 C CB . ASN A 232 ? 0.2152 0.1741 0.2119 -0.0015 0.0234 -0.0204 249 ASN A CB 1891 C CG . ASN A 232 ? 0.2238 0.1789 0.2249 -0.0016 0.0281 -0.0267 249 ASN A CG 1892 O OD1 . ASN A 232 ? 0.2621 0.2166 0.2591 -0.0036 0.0285 -0.0336 249 ASN A OD1 1893 N ND2 . ASN A 232 ? 0.2337 0.1864 0.2435 0.0006 0.0319 -0.0247 249 ASN A ND2 1894 N N . ASP A 233 ? 0.2072 0.1726 0.1896 -0.0042 0.0135 -0.0171 250 ASP A N 1895 C CA . ASP A 233 ? 0.1851 0.1538 0.1624 -0.0043 0.0095 -0.0136 250 ASP A CA 1896 C C . ASP A 233 ? 0.1947 0.1657 0.1655 -0.0041 0.0083 -0.0147 250 ASP A C 1897 O O . ASP A 233 ? 0.2006 0.1726 0.1661 -0.0051 0.0075 -0.0184 250 ASP A O 1898 C CB . ASP A 233 ? 0.2103 0.1797 0.1853 -0.0058 0.0072 -0.0150 250 ASP A CB 1899 C CG . ASP A 233 ? 0.2160 0.1886 0.1865 -0.0057 0.0036 -0.0122 250 ASP A CG 1900 O OD1 . ASP A 233 ? 0.2070 0.1811 0.1764 -0.0048 0.0026 -0.0093 250 ASP A OD1 1901 O OD2 . ASP A 233 ? 0.2265 0.2001 0.1950 -0.0067 0.0019 -0.0135 250 ASP A OD2 1902 N N . PRO A 234 ? 0.1889 0.1612 0.1605 -0.0029 0.0082 -0.0111 251 PRO A N 1903 C CA . PRO A 234 ? 0.1889 0.1634 0.1554 -0.0028 0.0072 -0.0109 251 PRO A CA 1904 C C . PRO A 234 ? 0.2003 0.1765 0.1622 -0.0034 0.0033 -0.0093 251 PRO A C 1905 O O . PRO A 234 ? 0.2148 0.1925 0.1735 -0.0033 0.0023 -0.0084 251 PRO A O 1906 C CB . PRO A 234 ? 0.2028 0.1780 0.1736 -0.0015 0.0088 -0.0076 251 PRO A CB 1907 C CG . PRO A 234 ? 0.2466 0.2213 0.2238 -0.0010 0.0090 -0.0043 251 PRO A CG 1908 C CD . PRO A 234 ? 0.2034 0.1758 0.1816 -0.0017 0.0092 -0.0064 251 PRO A CD 1909 N N . ASP A 235 ? 0.1940 0.1701 0.1562 -0.0039 0.0015 -0.0091 252 ASP A N 1910 C CA . ASP A 235 ? 0.1775 0.1549 0.1359 -0.0044 -0.0016 -0.0087 252 ASP A CA 1911 C C . ASP A 235 ? 0.1917 0.1704 0.1517 -0.0043 -0.0033 -0.0053 252 ASP A C 1912 O O . ASP A 235 ? 0.1980 0.1773 0.1620 -0.0039 -0.0023 -0.0027 252 ASP A O 1913 C CB . ASP A 235 ? 0.1814 0.1596 0.1348 -0.0045 -0.0025 -0.0101 252 ASP A CB 1914 C CG . ASP A 235 ? 0.2492 0.2284 0.1996 -0.0048 -0.0051 -0.0111 252 ASP A CG 1915 O OD1 . ASP A 235 ? 0.2145 0.1937 0.1661 -0.0050 -0.0060 -0.0111 252 ASP A OD1 1916 O OD2 . ASP A 235 ? 0.1977 0.1781 0.1448 -0.0046 -0.0060 -0.0114 252 ASP A OD2 1917 N N . MET A 236 ? 0.1791 0.1587 0.1363 -0.0046 -0.0058 -0.0055 253 MET A N 1918 C CA . MET A 236 ? 0.1528 0.1343 0.1109 -0.0049 -0.0076 -0.0037 253 MET A CA 1919 C C . MET A 236 ? 0.2069 0.1894 0.1666 -0.0051 -0.0080 -0.0014 253 MET A C 1920 O O . MET A 236 ? 0.1993 0.1807 0.1586 -0.0049 -0.0073 -0.0012 253 MET A O 1921 C CB . MET A 236 ? 0.1697 0.1514 0.1246 -0.0051 -0.0097 -0.0055 253 MET A CB 1922 C CG . MET A 236 ? 0.1962 0.1784 0.1503 -0.0051 -0.0097 -0.0072 253 MET A CG 1923 S SD . MET A 236 ? 0.1928 0.1750 0.1437 -0.0047 -0.0116 -0.0095 253 MET A SD 1924 C CE . MET A 236 ? 0.2034 0.1843 0.1523 -0.0043 -0.0110 -0.0102 253 MET A CE 1925 N N . LEU A 237 ? 0.1865 0.1719 0.1481 -0.0056 -0.0090 0.0004 254 LEU A N 1926 C CA . LEU A 237 ? 0.1767 0.1641 0.1397 -0.0063 -0.0102 0.0021 254 LEU A CA 1927 C C . LEU A 237 ? 0.2044 0.1908 0.1649 -0.0072 -0.0121 0.0000 254 LEU A C 1928 O O . LEU A 237 ? 0.1805 0.1665 0.1386 -0.0072 -0.0132 -0.0021 254 LEU A O 1929 C CB . LEU A 237 ? 0.1886 0.1809 0.1540 -0.0069 -0.0111 0.0045 254 LEU A CB 1930 C CG . LEU A 237 ? 0.1755 0.1689 0.1452 -0.0059 -0.0090 0.0077 254 LEU A CG 1931 C CD1 . LEU A 237 ? 0.1840 0.1832 0.1554 -0.0064 -0.0103 0.0106 254 LEU A CD1 1932 C CD2 . LEU A 237 ? 0.1980 0.1911 0.1715 -0.0052 -0.0074 0.0098 254 LEU A CD2 1933 N N . LEU A 238 ? 0.2024 0.1882 0.1641 -0.0078 -0.0124 0.0009 255 LEU A N 1934 C CA . LEU A 238 ? 0.2043 0.1883 0.1652 -0.0086 -0.0139 -0.0005 255 LEU A CA 1935 C C . LEU A 238 ? 0.2013 0.1882 0.1639 -0.0106 -0.0159 -0.0010 255 LEU A C 1936 O O . LEU A 238 ? 0.1919 0.1770 0.1549 -0.0116 -0.0171 -0.0029 255 LEU A O 1937 C CB . LEU A 238 ? 0.1654 0.1473 0.1273 -0.0085 -0.0129 0.0010 255 LEU A CB 1938 C CG . LEU A 238 ? 0.1652 0.1452 0.1247 -0.0070 -0.0112 0.0009 255 LEU A CG 1939 C CD1 . LEU A 238 ? 0.1805 0.1600 0.1411 -0.0070 -0.0101 0.0032 255 LEU A CD1 1940 C CD2 . LEU A 238 ? 0.1979 0.1759 0.1545 -0.0063 -0.0121 -0.0012 255 LEU A CD2 1941 N N . ILE A 239 ? 0.1755 0.1672 0.1397 -0.0111 -0.0162 0.0006 256 ILE A N 1942 C CA . ILE A 239 ? 0.1782 0.1746 0.1440 -0.0132 -0.0182 0.0005 256 ILE A CA 1943 C C . ILE A 239 ? 0.1787 0.1756 0.1417 -0.0142 -0.0198 -0.0036 256 ILE A C 1944 O O . ILE A 239 ? 0.1945 0.1918 0.1547 -0.0132 -0.0195 -0.0047 256 ILE A O 1945 C CB . ILE A 239 ? 0.1715 0.1741 0.1395 -0.0131 -0.0181 0.0042 256 ILE A CB 1946 C CG1 . ILE A 239 ? 0.2245 0.2263 0.1962 -0.0119 -0.0160 0.0079 256 ILE A CG1 1947 C CG2 . ILE A 239 ? 0.1850 0.1944 0.1541 -0.0156 -0.0206 0.0040 256 ILE A CG2 1948 C CD1 . ILE A 239 ? 0.2458 0.2504 0.2200 -0.0103 -0.0145 0.0114 256 ILE A CD1 1949 N N . GLY A 240 ? 0.1790 0.1755 0.1431 -0.0162 -0.0213 -0.0062 257 GLY A N 1950 C CA . GLY A 240 ? 0.1962 0.1925 0.1584 -0.0172 -0.0225 -0.0112 257 GLY A CA 1951 C C . GLY A 240 ? 0.1981 0.1870 0.1610 -0.0166 -0.0219 -0.0137 257 GLY A C 1952 O O . GLY A 240 ? 0.2115 0.1993 0.1743 -0.0174 -0.0226 -0.0182 257 GLY A O 1953 N N . ASN A 241 ? 0.1825 0.1669 0.1464 -0.0149 -0.0205 -0.0109 258 ASN A N 1954 C CA . ASN A 241 ? 0.1857 0.1640 0.1505 -0.0139 -0.0199 -0.0119 258 ASN A CA 1955 C C . ASN A 241 ? 0.2057 0.1809 0.1751 -0.0154 -0.0200 -0.0108 258 ASN A C 1956 O O . ASN A 241 ? 0.2331 0.2103 0.2049 -0.0180 -0.0212 -0.0122 258 ASN A O 1957 C CB . ASN A 241 ? 0.1794 0.1559 0.1418 -0.0113 -0.0185 -0.0097 258 ASN A CB 1958 C CG . ASN A 241 ? 0.2060 0.1853 0.1650 -0.0102 -0.0184 -0.0112 258 ASN A CG 1959 O OD1 . ASN A 241 ? 0.2093 0.1902 0.1675 -0.0107 -0.0192 -0.0146 258 ASN A OD1 1960 N ND2 . ASN A 241 ? 0.1974 0.1774 0.1547 -0.0089 -0.0173 -0.0090 258 ASN A ND2 1961 N N . PHE A 242 ? 0.1838 0.1546 0.1544 -0.0140 -0.0189 -0.0081 259 PHE A N 1962 C CA . PHE A 242 ? 0.2111 0.1781 0.1868 -0.0152 -0.0188 -0.0071 259 PHE A CA 1963 C C . PHE A 242 ? 0.2158 0.1835 0.1935 -0.0156 -0.0178 -0.0020 259 PHE A C 1964 O O . PHE A 242 ? 0.1935 0.1598 0.1762 -0.0176 -0.0179 -0.0010 259 PHE A O 1965 C CB . PHE A 242 ? 0.2046 0.1664 0.1817 -0.0134 -0.0182 -0.0073 259 PHE A CB 1966 C CG . PHE A 242 ? 0.2017 0.1626 0.1775 -0.0126 -0.0188 -0.0123 259 PHE A CG 1967 C CD1 . PHE A 242 ? 0.2203 0.1792 0.1996 -0.0145 -0.0194 -0.0171 259 PHE A CD1 1968 C CD2 . PHE A 242 ? 0.2331 0.1956 0.2046 -0.0102 -0.0184 -0.0126 259 PHE A CD2 1969 C CE1 . PHE A 242 ? 0.2420 0.2008 0.2200 -0.0136 -0.0195 -0.0222 259 PHE A CE1 1970 C CE2 . PHE A 242 ? 0.2291 0.1915 0.1996 -0.0094 -0.0186 -0.0170 259 PHE A CE2 1971 C CZ . PHE A 242 ? 0.2186 0.1793 0.1922 -0.0109 -0.0191 -0.0218 259 PHE A CZ 1972 N N . GLY A 243 ? 0.1921 0.1620 0.1664 -0.0137 -0.0165 0.0007 260 GLY A N 1973 C CA . GLY A 243 ? 0.1737 0.1443 0.1490 -0.0134 -0.0150 0.0053 260 GLY A CA 1974 C C . GLY A 243 ? 0.1784 0.1532 0.1555 -0.0147 -0.0145 0.0071 260 GLY A C 1975 O O . GLY A 243 ? 0.1891 0.1647 0.1689 -0.0152 -0.0133 0.0107 260 GLY A O 1976 N N . LEU A 244 ? 0.1781 0.1564 0.1541 -0.0152 -0.0154 0.0053 261 LEU A N 1977 C CA . LEU A 244 ? 0.1522 0.1353 0.1307 -0.0160 -0.0150 0.0076 261 LEU A CA 1978 C C . LEU A 244 ? 0.1737 0.1592 0.1565 -0.0192 -0.0170 0.0067 261 LEU A C 1979 O O . LEU A 244 ? 0.2050 0.1908 0.1871 -0.0205 -0.0189 0.0030 261 LEU A O 1980 C CB . LEU A 244 ? 0.1667 0.1530 0.1426 -0.0146 -0.0145 0.0074 261 LEU A CB 1981 C CG . LEU A 244 ? 0.1751 0.1596 0.1471 -0.0119 -0.0125 0.0075 261 LEU A CG 1982 C CD1 . LEU A 244 ? 0.2015 0.1892 0.1735 -0.0108 -0.0116 0.0081 261 LEU A CD1 1983 C CD2 . LEU A 244 ? 0.1986 0.1819 0.1705 -0.0109 -0.0102 0.0099 261 LEU A CD2 1984 N N . SER A 245 ? 0.1633 0.1514 0.1506 -0.0204 -0.0163 0.0100 262 SER A N 1985 C CA . SER A 245 ? 0.1544 0.1468 0.1462 -0.0236 -0.0183 0.0096 262 SER A CA 1986 C C . SER A 245 ? 0.1851 0.1840 0.1757 -0.0234 -0.0193 0.0096 262 SER A C 1987 O O . SER A 245 ? 0.1884 0.1877 0.1757 -0.0207 -0.0181 0.0103 262 SER A O 1988 C CB . SER A 245 ? 0.1716 0.1659 0.1689 -0.0248 -0.0171 0.0138 262 SER A CB 1989 O OG . SER A 245 ? 0.1640 0.1625 0.1614 -0.0227 -0.0151 0.0173 262 SER A OG 1990 N N . LEU A 246 ? 0.1729 0.1774 0.1670 -0.0264 -0.0216 0.0090 263 LEU A N 1991 C CA . LEU A 246 ? 0.1639 0.1764 0.1579 -0.0265 -0.0229 0.0102 263 LEU A CA 1992 C C . LEU A 246 ? 0.1765 0.1920 0.1727 -0.0238 -0.0205 0.0155 263 LEU A C 1993 O O . LEU A 246 ? 0.1773 0.1945 0.1714 -0.0214 -0.0198 0.0167 263 LEU A O 1994 C CB . LEU A 246 ? 0.1672 0.1865 0.1650 -0.0306 -0.0260 0.0090 263 LEU A CB 1995 C CG . LEU A 246 ? 0.2342 0.2635 0.2325 -0.0308 -0.0277 0.0112 263 LEU A CG 1996 C CD1 . LEU A 246 ? 0.2255 0.2551 0.2177 -0.0292 -0.0281 0.0091 263 LEU A CD1 1997 C CD2 . LEU A 246 ? 0.2600 0.2970 0.2621 -0.0355 -0.0310 0.0096 263 LEU A CD2 1998 N N . GLU A 247 ? 0.1732 0.1888 0.1739 -0.0239 -0.0189 0.0187 264 GLU A N 1999 C CA . GLU A 247 ? 0.1564 0.1745 0.1597 -0.0211 -0.0160 0.0231 264 GLU A CA 2000 C C . GLU A 247 ? 0.1589 0.1714 0.1574 -0.0175 -0.0133 0.0224 264 GLU A C 2001 O O . GLU A 247 ? 0.1708 0.1853 0.1699 -0.0151 -0.0117 0.0242 264 GLU A O 2002 C CB . GLU A 247 ? 0.1784 0.1977 0.1870 -0.0218 -0.0143 0.0263 264 GLU A CB 2003 C CG . GLU A 247 ? 0.1862 0.2126 0.2010 -0.0253 -0.0168 0.0278 264 GLU A CG 2004 C CD . GLU A 247 ? 0.2386 0.2739 0.2573 -0.0246 -0.0175 0.0312 264 GLU A CD 2005 O OE1 . GLU A 247 ? 0.2434 0.2855 0.2651 -0.0279 -0.0208 0.0311 264 GLU A OE1 2006 O OE2 . GLU A 247 ? 0.2346 0.2704 0.2539 -0.0210 -0.0147 0.0339 264 GLU A OE2 2007 N N . GLN A 248 ? 0.1765 0.1824 0.1709 -0.0173 -0.0128 0.0198 265 GLN A N 2008 C CA . GLN A 248 ? 0.1736 0.1749 0.1632 -0.0145 -0.0105 0.0187 265 GLN A CA 2009 C C . GLN A 248 ? 0.1713 0.1725 0.1576 -0.0134 -0.0115 0.0166 265 GLN A C 2010 O O . GLN A 248 ? 0.1650 0.1648 0.1496 -0.0111 -0.0094 0.0167 265 GLN A O 2011 C CB . GLN A 248 ? 0.1654 0.1612 0.1520 -0.0148 -0.0103 0.0171 265 GLN A CB 2012 C CG . GLN A 248 ? 0.1914 0.1877 0.1813 -0.0152 -0.0085 0.0202 265 GLN A CG 2013 C CD . GLN A 248 ? 0.1756 0.1677 0.1651 -0.0165 -0.0092 0.0199 265 GLN A CD 2014 O OE1 . GLN A 248 ? 0.1603 0.1483 0.1466 -0.0165 -0.0106 0.0171 265 GLN A OE1 2015 N NE2 . GLN A 248 ? 0.1735 0.1668 0.1672 -0.0178 -0.0081 0.0232 265 GLN A NE2 2016 N N . SER A 249 ? 0.1552 0.1577 0.1403 -0.0154 -0.0145 0.0144 266 SER A N 2017 C CA . SER A 249 ? 0.1698 0.1735 0.1519 -0.0147 -0.0155 0.0128 266 SER A CA 2018 C C . SER A 249 ? 0.1883 0.1975 0.1736 -0.0135 -0.0148 0.0165 266 SER A C 2019 O O . SER A 249 ? 0.1844 0.1926 0.1686 -0.0115 -0.0134 0.0170 266 SER A O 2020 C CB . SER A 249 ? 0.1678 0.1732 0.1484 -0.0173 -0.0186 0.0096 266 SER A CB 2021 O OG . SER A 249 ? 0.2039 0.2033 0.1824 -0.0179 -0.0189 0.0063 266 SER A OG 2022 N N . ARG A 250 ? 0.1743 0.1894 0.1646 -0.0148 -0.0157 0.0194 267 ARG A N 2023 C CA . ARG A 250 ? 0.1761 0.1972 0.1710 -0.0134 -0.0149 0.0240 267 ARG A CA 2024 C C . ARG A 250 ? 0.1762 0.1937 0.1734 -0.0102 -0.0108 0.0259 267 ARG A C 2025 O O . ARG A 250 ? 0.1763 0.1952 0.1760 -0.0081 -0.0094 0.0284 267 ARG A O 2026 C CB . ARG A 250 ? 0.1680 0.1968 0.1683 -0.0155 -0.0168 0.0269 267 ARG A CB 2027 C CG . ARG A 250 ? 0.1767 0.2114 0.1752 -0.0187 -0.0209 0.0251 267 ARG A CG 2028 C CD . ARG A 250 ? 0.2382 0.2820 0.2423 -0.0211 -0.0230 0.0280 267 ARG A CD 2029 N NE . ARG A 250 ? 0.2418 0.2918 0.2433 -0.0245 -0.0269 0.0253 267 ARG A NE 2030 C CZ . ARG A 250 ? 0.2303 0.2854 0.2338 -0.0284 -0.0298 0.0235 267 ARG A CZ 2031 N NH1 . ARG A 250 ? 0.2654 0.3204 0.2744 -0.0296 -0.0292 0.0251 267 ARG A NH1 2032 N NH2 . ARG A 250 ? 0.2734 0.3343 0.2737 -0.0315 -0.0331 0.0200 267 ARG A NH2 2033 N N . ALA A 251 ? 0.1734 0.1864 0.1699 -0.0099 -0.0088 0.0246 268 ALA A N 2034 C CA . ALA A 251 ? 0.1672 0.1773 0.1651 -0.0072 -0.0048 0.0254 268 ALA A CA 2035 C C . ALA A 251 ? 0.1789 0.1838 0.1726 -0.0055 -0.0034 0.0225 268 ALA A C 2036 O O . ALA A 251 ? 0.1811 0.1852 0.1775 -0.0033 -0.0007 0.0234 268 ALA A O 2037 C CB . ALA A 251 ? 0.1645 0.1723 0.1618 -0.0075 -0.0031 0.0248 268 ALA A CB 2038 N N . GLN A 252 ? 0.1547 0.1560 0.1424 -0.0066 -0.0052 0.0189 269 GLN A N 2039 C CA . GLN A 252 ? 0.1763 0.1732 0.1601 -0.0054 -0.0042 0.0162 269 GLN A CA 2040 C C . GLN A 252 ? 0.1664 0.1656 0.1528 -0.0046 -0.0043 0.0179 269 GLN A C 2041 O O . GLN A 252 ? 0.1812 0.1780 0.1688 -0.0029 -0.0019 0.0176 269 GLN A O 2042 C CB . GLN A 252 ? 0.1663 0.1598 0.1440 -0.0065 -0.0062 0.0126 269 GLN A CB 2043 C CG . GLN A 252 ? 0.1905 0.1800 0.1648 -0.0051 -0.0045 0.0099 269 GLN A CG 2044 C CD . GLN A 252 ? 0.2090 0.1962 0.1783 -0.0058 -0.0066 0.0068 269 GLN A CD 2045 O OE1 . GLN A 252 ? 0.1829 0.1711 0.1513 -0.0071 -0.0091 0.0063 269 GLN A OE1 2046 N NE2 . GLN A 252 ? 0.1814 0.1659 0.1478 -0.0050 -0.0054 0.0045 269 GLN A NE2 2047 N N . MET A 253 ? 0.1618 0.1661 0.1493 -0.0059 -0.0071 0.0198 270 MET A N 2048 C CA . MET A 253 ? 0.1509 0.1586 0.1407 -0.0052 -0.0074 0.0225 270 MET A CA 2049 C C . MET A 253 ? 0.1758 0.1847 0.1730 -0.0030 -0.0044 0.0267 270 MET A C 2050 O O . MET A 253 ? 0.1780 0.1852 0.1776 -0.0014 -0.0024 0.0277 270 MET A O 2051 C CB . MET A 253 ? 0.1638 0.1784 0.1532 -0.0073 -0.0110 0.0240 270 MET A CB 2052 C CG . MET A 253 ? 0.1822 0.2020 0.1731 -0.0070 -0.0118 0.0272 270 MET A CG 2053 S SD . MET A 253 ? 0.2020 0.2176 0.1865 -0.0071 -0.0120 0.0232 270 MET A SD 2054 C CE . MET A 253 ? 0.1960 0.2197 0.1842 -0.0065 -0.0125 0.0291 270 MET A CE 2055 N N . ALA A 254 ? 0.1740 0.1860 0.1755 -0.0028 -0.0038 0.0291 271 ALA A N 2056 C CA . ALA A 254 ? 0.1815 0.1953 0.1911 -0.0004 -0.0007 0.0333 271 ALA A CA 2057 C C . ALA A 254 ? 0.1828 0.1896 0.1931 0.0017 0.0035 0.0305 271 ALA A C 2058 O O . ALA A 254 ? 0.1877 0.1935 0.2039 0.0038 0.0063 0.0325 271 ALA A O 2059 C CB . ALA A 254 ? 0.1541 0.1732 0.1682 -0.0009 -0.0011 0.0362 271 ALA A CB 2060 N N . LEU A 255 ? 0.1637 0.1660 0.1684 0.0010 0.0043 0.0258 272 LEU A N 2061 C CA . LEU A 255 ? 0.1880 0.1849 0.1925 0.0027 0.0083 0.0224 272 LEU A CA 2062 C C . LEU A 255 ? 0.1613 0.1536 0.1634 0.0028 0.0088 0.0194 272 LEU A C 2063 O O . LEU A 255 ? 0.1838 0.1729 0.1898 0.0045 0.0123 0.0182 272 LEU A O 2064 C CB . LEU A 255 ? 0.1777 0.1731 0.1768 0.0017 0.0087 0.0192 272 LEU A CB 2065 C CG . LEU A 255 ? 0.2171 0.2171 0.2205 0.0018 0.0093 0.0226 272 LEU A CG 2066 C CD1 . LEU A 255 ? 0.2103 0.2096 0.2080 0.0002 0.0083 0.0207 272 LEU A CD1 2067 C CD2 . LEU A 255 ? 0.2270 0.2276 0.2374 0.0045 0.0141 0.0238 272 LEU A CD2 2068 N N . TRP A 256 ? 0.1560 0.1481 0.1525 0.0011 0.0055 0.0181 273 TRP A N 2069 C CA . TRP A 256 ? 0.1737 0.1625 0.1687 0.0011 0.0058 0.0159 273 TRP A CA 2070 C C . TRP A 256 ? 0.1853 0.1754 0.1880 0.0025 0.0071 0.0202 273 TRP A C 2071 O O . TRP A 256 ? 0.2046 0.1908 0.2101 0.0033 0.0096 0.0189 273 TRP A O 2072 C CB . TRP A 256 ? 0.1761 0.1655 0.1645 -0.0006 0.0020 0.0143 273 TRP A CB 2073 C CG . TRP A 256 ? 0.1686 0.1541 0.1501 -0.0014 0.0017 0.0092 273 TRP A CG 2074 C CD1 . TRP A 256 ? 0.1901 0.1738 0.1676 -0.0022 0.0005 0.0065 273 TRP A CD1 2075 C CD2 . TRP A 256 ? 0.1913 0.1755 0.1696 -0.0015 0.0024 0.0070 273 TRP A CD2 2076 N NE1 . TRP A 256 ? 0.2003 0.1818 0.1726 -0.0026 0.0003 0.0029 273 TRP A NE1 2077 C CE2 . TRP A 256 ? 0.1882 0.1700 0.1607 -0.0022 0.0015 0.0033 273 TRP A CE2 2078 C CE3 . TRP A 256 ? 0.2041 0.1895 0.1842 -0.0011 0.0039 0.0083 273 TRP A CE3 2079 C CZ2 . TRP A 256 ? 0.2063 0.1874 0.1746 -0.0024 0.0018 0.0012 273 TRP A CZ2 2080 C CZ3 . TRP A 256 ? 0.2004 0.1849 0.1761 -0.0014 0.0044 0.0060 273 TRP A CZ3 2081 C CH2 . TRP A 256 ? 0.2006 0.1830 0.1703 -0.0020 0.0033 0.0028 273 TRP A CH2 2082 N N . THR A 257 ? 0.1796 0.1758 0.1861 0.0026 0.0054 0.0256 274 THR A N 2083 C CA . THR A 257 ? 0.1899 0.1889 0.2045 0.0041 0.0065 0.0313 274 THR A CA 2084 C C . THR A 257 ? 0.2205 0.2162 0.2435 0.0067 0.0113 0.0321 274 THR A C 2085 O O . THR A 257 ? 0.2167 0.2095 0.2456 0.0080 0.0138 0.0334 274 THR A O 2086 C CB . THR A 257 ? 0.2025 0.2104 0.2189 0.0034 0.0032 0.0368 274 THR A CB 2087 O OG1 . THR A 257 ? 0.1961 0.2065 0.2051 0.0010 -0.0005 0.0353 274 THR A OG1 2088 C CG2 . THR A 257 ? 0.1809 0.1931 0.2070 0.0054 0.0046 0.0442 274 THR A CG2 2089 N N . VAL A 258 ? 0.1827 0.1785 0.2067 0.0074 0.0129 0.0310 275 VAL A N 2090 C CA . VAL A 258 ? 0.1987 0.1918 0.2309 0.0101 0.0179 0.0312 275 VAL A CA 2091 C C . VAL A 258 ? 0.2293 0.2145 0.2596 0.0102 0.0211 0.0245 275 VAL A C 2092 O O . VAL A 258 ? 0.2276 0.2091 0.2657 0.0122 0.0255 0.0241 275 VAL A O 2093 C CB . VAL A 258 ? 0.2843 0.2810 0.3182 0.0108 0.0188 0.0322 275 VAL A CB 2094 C CG1 . VAL A 258 ? 0.2639 0.2572 0.2906 0.0098 0.0199 0.0259 275 VAL A CG1 2095 C CG2 . VAL A 258 ? 0.3838 0.3815 0.4295 0.0140 0.0231 0.0361 275 VAL A CG2 2096 N N . LEU A 259 ? 0.2047 0.1876 0.2254 0.0080 0.0191 0.0194 276 LEU A N 2097 C CA . LEU A 259 ? 0.1889 0.1656 0.2066 0.0075 0.0213 0.0127 276 LEU A CA 2098 C C . LEU A 259 ? 0.1913 0.1651 0.2108 0.0068 0.0209 0.0127 276 LEU A C 2099 O O . LEU A 259 ? 0.2144 0.1836 0.2318 0.0059 0.0224 0.0072 276 LEU A O 2100 C CB . LEU A 259 ? 0.2102 0.1867 0.2173 0.0056 0.0193 0.0077 276 LEU A CB 2101 C CG . LEU A 259 ? 0.2530 0.2312 0.2579 0.0060 0.0208 0.0063 276 LEU A CG 2102 C CD1 . LEU A 259 ? 0.2673 0.2462 0.2620 0.0040 0.0179 0.0033 276 LEU A CD1 2103 C CD2 . LEU A 259 ? 0.2621 0.2373 0.2710 0.0076 0.0262 0.0022 276 LEU A CD2 2104 N N . ALA A 260 ? 0.2096 0.1868 0.2333 0.0071 0.0191 0.0191 277 ALA A N 2105 C CA . ALA A 260 ? 0.2208 0.1962 0.2463 0.0063 0.0186 0.0201 277 ALA A CA 2106 C C . ALA A 260 ? 0.1862 0.1600 0.2020 0.0039 0.0162 0.0145 277 ALA A C 2107 O O . ALA A 260 ? 0.2083 0.1782 0.2247 0.0030 0.0173 0.0115 277 ALA A O 2108 C CB . ALA A 260 ? 0.2018 0.1715 0.2374 0.0078 0.0235 0.0195 277 ALA A CB 2109 N N . ALA A 261 ? 0.1845 0.1616 0.1922 0.0028 0.0129 0.0135 278 ALA A N 2110 C CA . ALA A 261 ? 0.1941 0.1705 0.1931 0.0009 0.0103 0.0093 278 ALA A CA 2111 C C . ALA A 261 ? 0.1716 0.1512 0.1691 -0.0001 0.0074 0.0120 278 ALA A C 2112 O O . ALA A 261 ? 0.2071 0.1913 0.2071 0.0002 0.0060 0.0173 278 ALA A O 2113 C CB . ALA A 261 ? 0.1843 0.1626 0.1764 0.0003 0.0082 0.0076 278 ALA A CB 2114 N N . PRO A 262 ? 0.1762 0.1543 0.1686 -0.0015 0.0061 0.0083 279 PRO A N 2115 C CA . PRO A 262 ? 0.1869 0.1689 0.1757 -0.0025 0.0031 0.0099 279 PRO A CA 2116 C C . PRO A 262 ? 0.1933 0.1797 0.1780 -0.0027 0.0002 0.0114 279 PRO A C 2117 O O . PRO A 262 ? 0.1998 0.1852 0.1821 -0.0026 0.0000 0.0096 279 PRO A O 2118 C CB . PRO A 262 ? 0.2059 0.1855 0.1892 -0.0038 0.0023 0.0045 279 PRO A CB 2119 C CG . PRO A 262 ? 0.2137 0.1883 0.1999 -0.0037 0.0054 0.0009 279 PRO A CG 2120 C CD . PRO A 262 ? 0.1965 0.1704 0.1855 -0.0023 0.0072 0.0021 279 PRO A CD 2121 N N . LEU A 263 ? 0.1903 0.1821 0.1748 -0.0032 -0.0017 0.0149 280 LEU A N 2122 C CA . LEU A 263 ? 0.1752 0.1713 0.1552 -0.0040 -0.0048 0.0149 280 LEU A CA 2123 C C . LEU A 263 ? 0.1712 0.1682 0.1455 -0.0051 -0.0067 0.0117 280 LEU A C 2124 O O . LEU A 263 ? 0.1921 0.1940 0.1656 -0.0057 -0.0079 0.0135 280 LEU A O 2125 C CB . LEU A 263 ? 0.1714 0.1744 0.1552 -0.0039 -0.0057 0.0206 280 LEU A CB 2126 C CG . LEU A 263 ? 0.1737 0.1766 0.1644 -0.0025 -0.0037 0.0245 280 LEU A CG 2127 C CD1 . LEU A 263 ? 0.2081 0.2196 0.2026 -0.0025 -0.0051 0.0310 280 LEU A CD1 2128 C CD2 . LEU A 263 ? 0.1894 0.1897 0.1789 -0.0023 -0.0034 0.0220 280 LEU A CD2 2129 N N . LEU A 264 ? 0.1821 0.1746 0.1526 -0.0052 -0.0067 0.0071 281 LEU A N 2130 C CA . LEU A 264 ? 0.1863 0.1791 0.1521 -0.0059 -0.0082 0.0039 281 LEU A CA 2131 C C . LEU A 264 ? 0.1975 0.1903 0.1595 -0.0062 -0.0102 0.0017 281 LEU A C 2132 O O . LEU A 264 ? 0.1960 0.1851 0.1567 -0.0060 -0.0100 -0.0001 281 LEU A O 2133 C CB . LEU A 264 ? 0.1770 0.1657 0.1421 -0.0057 -0.0070 0.0008 281 LEU A CB 2134 C CG . LEU A 264 ? 0.2034 0.1919 0.1730 -0.0058 -0.0050 0.0026 281 LEU A CG 2135 C CD1 . LEU A 264 ? 0.2336 0.2180 0.2033 -0.0062 -0.0037 -0.0011 281 LEU A CD1 2136 C CD2 . LEU A 264 ? 0.2520 0.2452 0.2215 -0.0064 -0.0059 0.0045 281 LEU A CD2 2137 N N . MET A 265 ? 0.1868 0.1841 0.1473 -0.0070 -0.0121 0.0020 282 MET A N 2138 C CA . MET A 265 ? 0.2084 0.2057 0.1662 -0.0077 -0.0139 -0.0004 282 MET A CA 2139 C C . MET A 265 ? 0.1731 0.1671 0.1280 -0.0073 -0.0142 -0.0043 282 MET A C 2140 O O . MET A 265 ? 0.1979 0.1918 0.1523 -0.0068 -0.0135 -0.0049 282 MET A O 2141 C CB . MET A 265 ? 0.2275 0.2311 0.1843 -0.0089 -0.0156 -0.0004 282 MET A CB 2142 C CG . MET A 265 ? 0.2066 0.2155 0.1662 -0.0094 -0.0158 0.0039 282 MET A CG 2143 S SD . MET A 265 ? 0.2391 0.2572 0.1964 -0.0113 -0.0182 0.0035 282 MET A SD 2144 C CE . MET A 265 ? 0.1823 0.2048 0.1380 -0.0108 -0.0174 0.0047 282 MET A CE 2145 N N . SER A 266 ? 0.1714 0.1631 0.1252 -0.0075 -0.0152 -0.0064 283 SER A N 2146 C CA . SER A 266 ? 0.1710 0.1603 0.1228 -0.0069 -0.0156 -0.0095 283 SER A CA 2147 C C . SER A 266 ? 0.2037 0.1919 0.1558 -0.0076 -0.0169 -0.0114 283 SER A C 2148 O O . SER A 266 ? 0.1855 0.1702 0.1387 -0.0075 -0.0168 -0.0109 283 SER A O 2149 C CB . SER A 266 ? 0.1857 0.1713 0.1373 -0.0058 -0.0147 -0.0094 283 SER A CB 2150 O OG . SER A 266 ? 0.2173 0.2016 0.1678 -0.0049 -0.0152 -0.0117 283 SER A OG 2151 N N . THR A 267 ? 0.1991 0.1906 0.1504 -0.0085 -0.0178 -0.0136 284 THR A N 2152 C CA . THR A 267 ? 0.1937 0.1847 0.1459 -0.0098 -0.0189 -0.0160 284 THR A CA 2153 C C . THR A 267 ? 0.1919 0.1864 0.1423 -0.0103 -0.0194 -0.0201 284 THR A C 2154 O O . THR A 267 ? 0.2095 0.2082 0.1580 -0.0098 -0.0190 -0.0198 284 THR A O 2155 C CB . THR A 267 ? 0.1780 0.1720 0.1317 -0.0116 -0.0197 -0.0137 284 THR A CB 2156 O OG1 . THR A 267 ? 0.1874 0.1799 0.1429 -0.0132 -0.0208 -0.0162 284 THR A OG1 2157 C CG2 . THR A 267 ? 0.2124 0.2142 0.1651 -0.0126 -0.0203 -0.0124 284 THR A CG2 2158 N N . ASP A 268 ? 0.1850 0.1779 0.1365 -0.0113 -0.0201 -0.0239 285 ASP A N 2159 C CA . ASP A 268 ? 0.2028 0.1994 0.1526 -0.0118 -0.0203 -0.0288 285 ASP A CA 2160 C C . ASP A 268 ? 0.1972 0.2021 0.1449 -0.0142 -0.0215 -0.0290 285 ASP A C 2161 O O . ASP A 268 ? 0.2027 0.2090 0.1514 -0.0165 -0.0227 -0.0306 285 ASP A O 2162 C CB . ASP A 268 ? 0.2246 0.2161 0.1769 -0.0120 -0.0202 -0.0336 285 ASP A CB 2163 C CG . ASP A 268 ? 0.2782 0.2723 0.2291 -0.0117 -0.0196 -0.0393 285 ASP A CG 2164 O OD1 . ASP A 268 ? 0.2368 0.2383 0.1841 -0.0123 -0.0196 -0.0396 285 ASP A OD1 2165 O OD2 . ASP A 268 ? 0.2923 0.2812 0.2462 -0.0108 -0.0188 -0.0431 285 ASP A OD2 2166 N N . LEU A 269 ? 0.2169 0.2280 0.1620 -0.0137 -0.0211 -0.0268 286 LEU A N 2167 C CA . LEU A 269 ? 0.1951 0.2156 0.1382 -0.0157 -0.0222 -0.0257 286 LEU A CA 2168 C C . LEU A 269 ? 0.2157 0.2408 0.1565 -0.0176 -0.0229 -0.0322 286 LEU A C 2169 O O . LEU A 269 ? 0.2154 0.2490 0.1545 -0.0198 -0.0243 -0.0322 286 LEU A O 2170 C CB . LEU A 269 ? 0.1869 0.2129 0.1285 -0.0147 -0.0213 -0.0213 286 LEU A CB 2171 C CG . LEU A 269 ? 0.1928 0.2148 0.1370 -0.0131 -0.0203 -0.0155 286 LEU A CG 2172 C CD1 . LEU A 269 ? 0.2169 0.2445 0.1603 -0.0125 -0.0193 -0.0117 286 LEU A CD1 2173 C CD2 . LEU A 269 ? 0.2451 0.2667 0.1920 -0.0139 -0.0211 -0.0118 286 LEU A CD2 2174 N N . ARG A 270 ? 0.2016 0.2219 0.1427 -0.0167 -0.0219 -0.0378 287 ARG A N 2175 C CA . ARG A 270 ? 0.2192 0.2436 0.1585 -0.0185 -0.0221 -0.0451 287 ARG A CA 2176 C C . ARG A 270 ? 0.2468 0.2694 0.1884 -0.0213 -0.0237 -0.0486 287 ARG A C 2177 O O . ARG A 270 ? 0.2611 0.2895 0.2010 -0.0239 -0.0245 -0.0544 287 ARG A O 2178 C CB . ARG A 270 ? 0.2395 0.2591 0.1796 -0.0163 -0.0201 -0.0502 287 ARG A CB 2179 C CG . ARG A 270 ? 0.2504 0.2724 0.1886 -0.0137 -0.0186 -0.0472 287 ARG A CG 2180 C CD . ARG A 270 ? 0.2956 0.3112 0.2364 -0.0110 -0.0167 -0.0507 287 ARG A CD 2181 N NE . ARG A 270 ? 0.2571 0.2628 0.2023 -0.0096 -0.0168 -0.0483 287 ARG A NE 2182 C CZ . ARG A 270 ? 0.3146 0.3146 0.2629 -0.0069 -0.0155 -0.0489 287 ARG A CZ 2183 N NH1 . ARG A 270 ? 0.3263 0.3287 0.2743 -0.0051 -0.0139 -0.0519 287 ARG A NH1 2184 N NH2 . ARG A 270 ? 0.2770 0.2694 0.2289 -0.0059 -0.0159 -0.0461 287 ARG A NH2 2185 N N . THR A 271 ? 0.2372 0.2524 0.1830 -0.0211 -0.0241 -0.0453 288 THR A N 2186 C CA . THR A 271 ? 0.2355 0.2477 0.1848 -0.0237 -0.0253 -0.0482 288 THR A CA 2187 C C . THR A 271 ? 0.2634 0.2770 0.2147 -0.0250 -0.0268 -0.0421 288 THR A C 2188 O O . THR A 271 ? 0.2643 0.2756 0.2193 -0.0274 -0.0278 -0.0434 288 THR A O 2189 C CB . THR A 271 ? 0.2577 0.2586 0.2119 -0.0224 -0.0239 -0.0510 288 THR A CB 2190 O OG1 . THR A 271 ? 0.2680 0.2630 0.2237 -0.0194 -0.0230 -0.0448 288 THR A OG1 2191 C CG2 . THR A 271 ? 0.3008 0.3004 0.2544 -0.0212 -0.0223 -0.0578 288 THR A CG2 2192 N N . ILE A 272 ? 0.2465 0.2639 0.1961 -0.0236 -0.0267 -0.0355 289 ILE A N 2193 C CA . ILE A 272 ? 0.2378 0.2559 0.1900 -0.0240 -0.0275 -0.0294 289 ILE A CA 2194 C C . ILE A 272 ? 0.2392 0.2644 0.1926 -0.0278 -0.0298 -0.0306 289 ILE A C 2195 O O . ILE A 272 ? 0.2370 0.2710 0.1872 -0.0297 -0.0311 -0.0335 289 ILE A O 2196 C CB . ILE A 272 ? 0.2004 0.2220 0.1513 -0.0219 -0.0267 -0.0228 289 ILE A CB 2197 C CG1 . ILE A 272 ? 0.2134 0.2343 0.1679 -0.0217 -0.0268 -0.0168 289 ILE A CG1 2198 C CG2 . ILE A 272 ? 0.2138 0.2466 0.1610 -0.0229 -0.0276 -0.0223 289 ILE A CG2 2199 C CD1 . ILE A 272 ? 0.2247 0.2465 0.1794 -0.0193 -0.0253 -0.0107 289 ILE A CD1 2200 N N . SER A 273 ? 0.2344 0.2564 0.1923 -0.0289 -0.0303 -0.0284 290 SER A N 2201 C CA . SER A 273 ? 0.2369 0.2658 0.1968 -0.0327 -0.0327 -0.0294 290 SER A CA 2202 C C . SER A 273 ? 0.2654 0.3056 0.2240 -0.0330 -0.0340 -0.0237 290 SER A C 2203 O O . SER A 273 ? 0.2312 0.2713 0.1896 -0.0300 -0.0327 -0.0176 290 SER A O 2204 C CB . SER A 273 ? 0.2706 0.2935 0.2364 -0.0337 -0.0327 -0.0277 290 SER A CB 2205 O OG . SER A 273 ? 0.2592 0.2813 0.2267 -0.0314 -0.0316 -0.0201 290 SER A OG 2206 N N . ALA A 274 ? 0.2768 0.3268 0.2352 -0.0366 -0.0366 -0.0256 291 ALA A N 2207 C CA . ALA A 274 ? 0.2488 0.3110 0.2074 -0.0373 -0.0384 -0.0194 291 ALA A CA 2208 C C . ALA A 274 ? 0.2418 0.3016 0.2057 -0.0354 -0.0375 -0.0116 291 ALA A C 2209 O O . ALA A 274 ? 0.2316 0.2960 0.1960 -0.0331 -0.0370 -0.0048 291 ALA A O 2210 C CB . ALA A 274 ? 0.2938 0.3670 0.2524 -0.0422 -0.0417 -0.0232 291 ALA A CB 2211 N N . GLN A 275 ? 0.2357 0.2881 0.2041 -0.0361 -0.0371 -0.0125 292 GLN A N 2212 C CA . GLN A 275 ? 0.2084 0.2588 0.1820 -0.0344 -0.0360 -0.0057 292 GLN A CA 2213 C C . GLN A 275 ? 0.2593 0.3031 0.2320 -0.0299 -0.0330 -0.0016 292 GLN A C 2214 O O . GLN A 275 ? 0.2347 0.2811 0.2102 -0.0279 -0.0320 0.0047 292 GLN A O 2215 C CB . GLN A 275 ? 0.2850 0.3285 0.2632 -0.0362 -0.0358 -0.0076 292 GLN A CB 2216 C CG . GLN A 275 ? 0.5512 0.5985 0.5356 -0.0366 -0.0359 -0.0018 292 GLN A CG 2217 C CD . GLN A 275 ? 0.4041 0.4481 0.3933 -0.0399 -0.0367 -0.0045 292 GLN A CD 2218 O OE1 . GLN A 275 ? 0.4080 0.4419 0.3976 -0.0396 -0.0352 -0.0076 292 GLN A OE1 2219 N NE2 . GLN A 275 ? 0.5174 0.5704 0.5110 -0.0432 -0.0390 -0.0030 292 GLN A NE2 2220 N N . ASN A 276 ? 0.2185 0.2538 0.1880 -0.0284 -0.0314 -0.0055 293 ASN A N 2221 C CA . ASN A 276 ? 0.2306 0.2600 0.1989 -0.0245 -0.0287 -0.0024 293 ASN A CA 2222 C C . ASN A 276 ? 0.2254 0.2611 0.1913 -0.0231 -0.0285 0.0004 293 ASN A C 2223 O O . ASN A 276 ? 0.2097 0.2442 0.1774 -0.0206 -0.0267 0.0053 293 ASN A O 2224 C CB . ASN A 276 ? 0.2284 0.2478 0.1946 -0.0233 -0.0272 -0.0066 293 ASN A CB 2225 C CG . ASN A 276 ? 0.2075 0.2199 0.1772 -0.0235 -0.0264 -0.0065 293 ASN A CG 2226 O OD1 . ASN A 276 ? 0.2211 0.2340 0.1944 -0.0230 -0.0256 -0.0020 293 ASN A OD1 2227 N ND2 . ASN A 276 ? 0.2360 0.2424 0.2055 -0.0242 -0.0264 -0.0111 293 ASN A ND2 2228 N N A MET A 277 ? 0.1832 0.2255 0.1453 -0.0248 -0.0302 -0.0026 294 MET A N 2229 N N B MET A 277 ? 0.1797 0.2220 0.1418 -0.0248 -0.0302 -0.0026 294 MET A N 2230 C CA A MET A 277 ? 0.2116 0.2618 0.1718 -0.0239 -0.0303 0.0010 294 MET A CA 2231 C CA B MET A 277 ? 0.1963 0.2462 0.1564 -0.0238 -0.0302 0.0011 294 MET A CA 2232 C C A MET A 277 ? 0.2427 0.2998 0.2075 -0.0234 -0.0306 0.0087 294 MET A C 2233 C C B MET A 277 ? 0.2518 0.3095 0.2165 -0.0235 -0.0307 0.0087 294 MET A C 2234 O O A MET A 277 ? 0.2336 0.2915 0.2001 -0.0209 -0.0290 0.0141 294 MET A O 2235 O O B MET A 277 ? 0.2390 0.2985 0.2051 -0.0212 -0.0293 0.0142 294 MET A O 2236 C CB A MET A 277 ? 0.3053 0.3641 0.2607 -0.0264 -0.0323 -0.0032 294 MET A CB 2237 C CB B MET A 277 ? 0.2281 0.2857 0.1831 -0.0259 -0.0319 -0.0035 294 MET A CB 2238 C CG A MET A 277 ? 0.3299 0.3831 0.2810 -0.0260 -0.0313 -0.0100 294 MET A CG 2239 C CG B MET A 277 ? 0.2448 0.3112 0.1977 -0.0250 -0.0318 0.0009 294 MET A CG 2240 S SD A MET A 277 ? 0.3015 0.3669 0.2467 -0.0284 -0.0329 -0.0144 294 MET A SD 2241 S SD B MET A 277 ? 0.2730 0.3509 0.2192 -0.0278 -0.0337 -0.0044 294 MET A SD 2242 C CE A MET A 277 ? 0.3476 0.4177 0.2911 -0.0256 -0.0313 -0.0077 294 MET A CE 2243 C CE B MET A 277 ? 0.2393 0.3074 0.1817 -0.0261 -0.0313 -0.0113 294 MET A CE 2244 N N . ASP A 278 ? 0.2229 0.2851 0.1907 -0.0258 -0.0327 0.0092 295 ASP A N 2245 C CA . ASP A 278 ? 0.1974 0.2678 0.1704 -0.0254 -0.0333 0.0166 295 ASP A CA 2246 C C . ASP A 278 ? 0.1829 0.2462 0.1612 -0.0219 -0.0302 0.0218 295 ASP A C 2247 O O . ASP A 278 ? 0.2187 0.2874 0.2015 -0.0202 -0.0296 0.0288 295 ASP A O 2248 C CB . ASP A 278 ? 0.1654 0.2420 0.1411 -0.0288 -0.0361 0.0155 295 ASP A CB 2249 C CG . ASP A 278 ? 0.3327 0.4201 0.3042 -0.0326 -0.0395 0.0115 295 ASP A CG 2250 O OD1 . ASP A 278 ? 0.3292 0.4222 0.2960 -0.0324 -0.0398 0.0113 295 ASP A OD1 2251 O OD2 . ASP A 278 ? 0.3433 0.4339 0.3165 -0.0361 -0.0417 0.0083 295 ASP A OD2 2252 N N . ILE A 279 ? 0.1947 0.2466 0.1728 -0.0209 -0.0282 0.0185 296 ILE A N 2253 C CA . ILE A 279 ? 0.1793 0.2243 0.1613 -0.0178 -0.0250 0.0219 296 ILE A CA 2254 C C . ILE A 279 ? 0.1691 0.2115 0.1499 -0.0151 -0.0228 0.0237 296 ILE A C 2255 O O . ILE A 279 ? 0.1940 0.2373 0.1795 -0.0129 -0.0210 0.0291 296 ILE A O 2256 C CB . ILE A 279 ? 0.1884 0.2231 0.1693 -0.0176 -0.0236 0.0176 296 ILE A CB 2257 C CG1 . ILE A 279 ? 0.1962 0.2328 0.1798 -0.0203 -0.0252 0.0166 296 ILE A CG1 2258 C CG2 . ILE A 279 ? 0.1646 0.1929 0.1482 -0.0145 -0.0200 0.0202 296 ILE A CG2 2259 C CD1 . ILE A 279 ? 0.2003 0.2274 0.1830 -0.0205 -0.0240 0.0128 296 ILE A CD1 2260 N N . LEU A 280 ? 0.1728 0.2121 0.1480 -0.0155 -0.0231 0.0192 297 LEU A N 2261 C CA . LEU A 280 ? 0.1825 0.2184 0.1565 -0.0134 -0.0210 0.0200 297 LEU A CA 2262 C C . LEU A 280 ? 0.1713 0.2160 0.1469 -0.0130 -0.0214 0.0254 297 LEU A C 2263 O O . LEU A 280 ? 0.1965 0.2390 0.1745 -0.0110 -0.0192 0.0286 297 LEU A O 2264 C CB . LEU A 280 ? 0.1678 0.1985 0.1359 -0.0138 -0.0211 0.0138 297 LEU A CB 2265 C CG . LEU A 280 ? 0.1658 0.1871 0.1329 -0.0134 -0.0202 0.0097 297 LEU A CG 2266 C CD1 . LEU A 280 ? 0.1933 0.2122 0.1555 -0.0144 -0.0212 0.0037 297 LEU A CD1 2267 C CD2 . LEU A 280 ? 0.1917 0.2066 0.1605 -0.0109 -0.0172 0.0112 297 LEU A CD2 2268 N N . GLN A 281 ? 0.1685 0.2236 0.1431 -0.0151 -0.0243 0.0266 298 GLN A N 2269 C CA . GLN A 281 ? 0.1809 0.2465 0.1565 -0.0150 -0.0250 0.0324 298 GLN A CA 2270 C C . GLN A 281 ? 0.2219 0.2950 0.2045 -0.0144 -0.0255 0.0402 298 GLN A C 2271 O O . GLN A 281 ? 0.2428 0.3271 0.2267 -0.0147 -0.0268 0.0459 298 GLN A O 2272 C CB . GLN A 281 ? 0.1786 0.2529 0.1476 -0.0178 -0.0279 0.0286 298 GLN A CB 2273 C CG . GLN A 281 ? 0.1911 0.2593 0.1541 -0.0178 -0.0269 0.0221 298 GLN A CG 2274 C CD . GLN A 281 ? 0.2736 0.3513 0.2306 -0.0200 -0.0288 0.0192 298 GLN A CD 2275 O OE1 . GLN A 281 ? 0.2868 0.3765 0.2435 -0.0217 -0.0310 0.0220 298 GLN A OE1 2276 N NE2 . GLN A 281 ? 0.2048 0.2780 0.1571 -0.0198 -0.0278 0.0135 298 GLN A NE2 2277 N N . ASN A 282 ? 0.1818 0.2496 0.1693 -0.0134 -0.0243 0.0408 299 ASN A N 2278 C CA . ASN A 282 ? 0.1694 0.2438 0.1648 -0.0124 -0.0243 0.0481 299 ASN A CA 2279 C C . ASN A 282 ? 0.1879 0.2639 0.1891 -0.0094 -0.0220 0.0558 299 ASN A C 2280 O O . ASN A 282 ? 0.1852 0.2513 0.1887 -0.0071 -0.0185 0.0553 299 ASN A O 2281 C CB . ASN A 282 ? 0.1938 0.2605 0.1931 -0.0115 -0.0225 0.0466 299 ASN A CB 2282 C CG . ASN A 282 ? 0.2273 0.3008 0.2354 -0.0103 -0.0223 0.0538 299 ASN A CG 2283 O OD1 . ASN A 282 ? 0.2119 0.2889 0.2262 -0.0078 -0.0208 0.0608 299 ASN A OD1 2284 N ND2 . ASN A 282 ? 0.2030 0.2785 0.2126 -0.0120 -0.0237 0.0523 299 ASN A ND2 2285 N N . PRO A 283 ? 0.1781 0.2669 0.1820 -0.0096 -0.0238 0.0629 300 PRO A N 2286 C CA . PRO A 283 ? 0.1908 0.2803 0.2002 -0.0069 -0.0214 0.0702 300 PRO A CA 2287 C C . PRO A 283 ? 0.1602 0.2427 0.1799 -0.0033 -0.0175 0.0748 300 PRO A C 2288 O O . PRO A 283 ? 0.2096 0.2848 0.2328 -0.0011 -0.0141 0.0762 300 PRO A O 2289 C CB . PRO A 283 ? 0.2512 0.3575 0.2617 -0.0079 -0.0244 0.0778 300 PRO A CB 2290 C CG . PRO A 283 ? 0.2643 0.3777 0.2664 -0.0120 -0.0286 0.0715 300 PRO A CG 2291 C CD . PRO A 283 ? 0.2220 0.3251 0.2230 -0.0127 -0.0281 0.0641 300 PRO A CD 2292 N N . LEU A 284 ? 0.1780 0.2633 0.2030 -0.0029 -0.0178 0.0769 301 LEU A N 2293 C CA . LEU A 284 ? 0.1781 0.2578 0.2135 0.0006 -0.0139 0.0811 301 LEU A CA 2294 C C . LEU A 284 ? 0.1600 0.2246 0.1935 0.0015 -0.0104 0.0736 301 LEU A C 2295 O O . LEU A 284 ? 0.1934 0.2503 0.2331 0.0044 -0.0062 0.0750 301 LEU A O 2296 C CB . LEU A 284 ? 0.2010 0.2886 0.2425 0.0007 -0.0152 0.0851 301 LEU A CB 2297 C CG . LEU A 284 ? 0.2369 0.3204 0.2901 0.0046 -0.0110 0.0897 301 LEU A CG 2298 C CD1 . LEU A 284 ? 0.1787 0.2607 0.2406 0.0081 -0.0077 0.0969 301 LEU A CD1 2299 C CD2 . LEU A 284 ? 0.1920 0.2868 0.2514 0.0044 -0.0130 0.0949 301 LEU A CD2 2300 N N . MET A 285 ? 0.1629 0.2233 0.1876 -0.0008 -0.0120 0.0654 302 MET A N 2301 C CA . MET A 285 ? 0.1487 0.1963 0.1705 -0.0002 -0.0091 0.0585 302 MET A CA 2302 C C . MET A 285 ? 0.1780 0.2193 0.1987 0.0007 -0.0070 0.0574 302 MET A C 2303 O O . MET A 285 ? 0.1893 0.2215 0.2132 0.0026 -0.0032 0.0555 302 MET A O 2304 C CB . MET A 285 ? 0.1607 0.2060 0.1733 -0.0031 -0.0116 0.0509 302 MET A CB 2305 C CG . MET A 285 ? 0.2009 0.2347 0.2102 -0.0026 -0.0092 0.0444 302 MET A CG 2306 S SD . MET A 285 ? 0.1964 0.2268 0.2118 -0.0008 -0.0061 0.0449 302 MET A SD 2307 C CE . MET A 285 ? 0.2181 0.2545 0.2307 -0.0040 -0.0099 0.0435 302 MET A CE 2308 N N . ILE A 286 ? 0.1718 0.2181 0.1877 -0.0008 -0.0094 0.0579 303 ILE A N 2309 C CA . ILE A 286 ? 0.1679 0.2095 0.1827 -0.0003 -0.0077 0.0572 303 ILE A CA 2310 C C . ILE A 286 ? 0.1866 0.2276 0.2120 0.0023 -0.0044 0.0644 303 ILE A C 2311 O O . ILE A 286 ? 0.1925 0.2247 0.2206 0.0035 -0.0011 0.0625 303 ILE A O 2312 C CB . ILE A 286 ? 0.1767 0.2252 0.1842 -0.0026 -0.0108 0.0565 303 ILE A CB 2313 C CG1 . ILE A 286 ? 0.1849 0.2307 0.1829 -0.0049 -0.0130 0.0479 303 ILE A CG1 2314 C CG2 . ILE A 286 ? 0.1938 0.2398 0.2023 -0.0019 -0.0089 0.0580 303 ILE A CG2 2315 C CD1 . ILE A 286 ? 0.2004 0.2550 0.1916 -0.0073 -0.0163 0.0468 303 ILE A CD1 2316 N N . LYS A 287 ? 0.1810 0.2314 0.2130 0.0033 -0.0052 0.0727 304 LYS A N 2317 C CA . LYS A 287 ? 0.1830 0.2330 0.2268 0.0063 -0.0019 0.0806 304 LYS A CA 2318 C C . LYS A 287 ? 0.2176 0.2561 0.2677 0.0086 0.0025 0.0772 304 LYS A C 2319 O O . LYS A 287 ? 0.2176 0.2489 0.2744 0.0103 0.0063 0.0781 304 LYS A O 2320 C CB . LYS A 287 ? 0.2270 0.2898 0.2774 0.0072 -0.0037 0.0901 304 LYS A CB 2321 C CG . LYS A 287 ? 0.3184 0.3812 0.3831 0.0108 -0.0002 0.0993 304 LYS A CG 2322 C CD . LYS A 287 ? 0.3656 0.4426 0.4362 0.0117 -0.0026 0.1090 304 LYS A CD 2323 C CE . LYS A 287 ? 0.4931 0.5687 0.5795 0.0159 0.0014 0.1172 304 LYS A CE 2324 N NZ . LYS A 287 ? 0.6917 0.7817 0.7840 0.0168 -0.0011 0.1262 304 LYS A NZ 2325 N N . ILE A 288 ? 0.2006 0.2376 0.2486 0.0084 0.0022 0.0731 305 ILE A N 2326 C CA . ILE A 288 ? 0.1781 0.2053 0.2308 0.0104 0.0065 0.0692 305 ILE A CA 2327 C C . ILE A 288 ? 0.2077 0.2241 0.2546 0.0095 0.0084 0.0608 305 ILE A C 2328 O O . ILE A 288 ? 0.1938 0.2025 0.2468 0.0112 0.0126 0.0595 305 ILE A O 2329 C CB . ILE A 288 ? 0.1836 0.2128 0.2347 0.0102 0.0057 0.0669 305 ILE A CB 2330 C CG1 . ILE A 288 ? 0.2227 0.2627 0.2820 0.0115 0.0046 0.0756 305 ILE A CG1 2331 C CG2 . ILE A 288 ? 0.1781 0.1973 0.2314 0.0118 0.0103 0.0612 305 ILE A CG2 2332 C CD1 . ILE A 288 ? 0.2343 0.2791 0.2907 0.0101 0.0023 0.0739 305 ILE A CD1 2333 N N . ASN A 289 ? 0.1784 0.1944 0.2142 0.0068 0.0054 0.0550 306 ASN A N 2334 C CA . ASN A 289 ? 0.1980 0.2052 0.2284 0.0058 0.0067 0.0477 306 ASN A CA 2335 C C . ASN A 289 ? 0.1936 0.1975 0.2293 0.0064 0.0089 0.0499 306 ASN A C 2336 O O . ASN A 289 ? 0.1963 0.1918 0.2339 0.0068 0.0121 0.0454 306 ASN A O 2337 C CB . ASN A 289 ? 0.1961 0.2046 0.2149 0.0031 0.0029 0.0427 306 ASN A CB 2338 C CG . ASN A 289 ? 0.2272 0.2280 0.2412 0.0023 0.0040 0.0360 306 ASN A CG 2339 O OD1 . ASN A 289 ? 0.2027 0.2033 0.2159 0.0016 0.0038 0.0363 306 ASN A OD1 2340 N ND2 . ASN A 289 ? 0.2356 0.2307 0.2466 0.0023 0.0053 0.0302 306 ASN A ND2 2341 N N . GLN A 290 ? 0.1902 0.2016 0.2284 0.0063 0.0073 0.0570 307 GLN A N 2342 C CA . GLN A 290 ? 0.1846 0.1947 0.2277 0.0065 0.0089 0.0605 307 GLN A CA 2343 C C . GLN A 290 ? 0.1845 0.1932 0.2416 0.0093 0.0127 0.0675 307 GLN A C 2344 O O . GLN A 290 ? 0.2307 0.2401 0.2939 0.0097 0.0139 0.0730 307 GLN A O 2345 C CB . GLN A 290 ? 0.1934 0.2134 0.2316 0.0049 0.0052 0.0650 307 GLN A CB 2346 C CG . GLN A 290 ? 0.1865 0.2070 0.2121 0.0024 0.0020 0.0576 307 GLN A CG 2347 C CD . GLN A 290 ? 0.1957 0.2086 0.2186 0.0014 0.0035 0.0520 307 GLN A CD 2348 O OE1 . GLN A 290 ? 0.2278 0.2420 0.2532 0.0010 0.0042 0.0552 307 GLN A OE1 2349 N NE2 . GLN A 290 ? 0.1946 0.1999 0.2129 0.0009 0.0041 0.0440 307 GLN A NE2 2350 N N . ASP A 291 ? 0.2038 0.2101 0.2666 0.0114 0.0149 0.0675 308 ASP A N 2351 C CA . ASP A 291 ? 0.2336 0.2387 0.3111 0.0146 0.0188 0.0745 308 ASP A CA 2352 C C . ASP A 291 ? 0.2122 0.2079 0.2965 0.0148 0.0229 0.0730 308 ASP A C 2353 O O . ASP A 291 ? 0.2256 0.2128 0.3054 0.0135 0.0243 0.0639 308 ASP A O 2354 C CB . ASP A 291 ? 0.2163 0.2186 0.2986 0.0168 0.0214 0.0726 308 ASP A CB 2355 C CG . ASP A 291 ? 0.2027 0.2033 0.3009 0.0204 0.0259 0.0795 308 ASP A CG 2356 O OD1 . ASP A 291 ? 0.2549 0.2649 0.3593 0.0220 0.0245 0.0892 308 ASP A OD1 2357 O OD2 . ASP A 291 ? 0.2448 0.2352 0.3495 0.0216 0.0307 0.0751 308 ASP A OD2 2358 N N . PRO A 292 ? 0.2327 0.2305 0.3282 0.0164 0.0246 0.0821 309 PRO A N 2359 C CA . PRO A 292 ? 0.2479 0.2370 0.3497 0.0159 0.0281 0.0805 309 PRO A CA 2360 C C . PRO A 292 ? 0.2311 0.2076 0.3402 0.0170 0.0334 0.0732 309 PRO A C 2361 O O . PRO A 292 ? 0.2604 0.2290 0.3710 0.0155 0.0356 0.0681 309 PRO A O 2362 C CB . PRO A 292 ? 0.2642 0.2590 0.3781 0.0177 0.0290 0.0934 309 PRO A CB 2363 C CG . PRO A 292 ? 0.3543 0.3627 0.4643 0.0182 0.0247 0.1010 309 PRO A CG 2364 C CD . PRO A 292 ? 0.2339 0.2437 0.3342 0.0177 0.0224 0.0940 309 PRO A CD 2365 N N . LEU A 293 ? 0.2580 0.2332 0.3715 0.0196 0.0357 0.0722 310 LEU A N 2366 C CA . LEU A 293 ? 0.2663 0.2302 0.3862 0.0206 0.0411 0.0644 310 LEU A CA 2367 C C . LEU A 293 ? 0.2480 0.2069 0.3548 0.0176 0.0401 0.0518 310 LEU A C 2368 O O . LEU A 293 ? 0.2623 0.2121 0.3720 0.0171 0.0440 0.0439 310 LEU A O 2369 C CB . LEU A 293 ? 0.2680 0.2325 0.3963 0.0243 0.0441 0.0665 310 LEU A CB 2370 C CG . LEU A 293 ? 0.3279 0.2973 0.4714 0.0280 0.0457 0.0792 310 LEU A CG 2371 C CD1 . LEU A 293 ? 0.2999 0.2695 0.4509 0.0316 0.0489 0.0795 310 LEU A CD1 2372 C CD2 . LEU A 293 ? 0.3092 0.2714 0.4663 0.0288 0.0498 0.0829 310 LEU A CD2 2373 N N . GLY A 294 ? 0.2661 0.2117 0.3500 -0.0100 0.0336 0.0290 311 GLY A N 2374 C CA . GLY A 294 ? 0.2281 0.1785 0.3087 -0.0140 0.0269 0.0194 311 GLY A CA 2375 C C . GLY A 294 ? 0.2985 0.2425 0.3719 -0.0142 0.0243 0.0103 311 GLY A C 2376 O O . GLY A 294 ? 0.2879 0.2306 0.3616 -0.0190 0.0200 0.0013 311 GLY A O 2377 N N . ILE A 295 ? 0.2365 0.1772 0.3035 -0.0089 0.0267 0.0126 312 ILE A N 2378 C CA . ILE A 295 ? 0.2270 0.1614 0.2857 -0.0079 0.0262 0.0049 312 ILE A CA 2379 C C . ILE A 295 ? 0.2358 0.1799 0.2830 -0.0061 0.0206 0.0038 312 ILE A C 2380 O O . ILE A 295 ? 0.2308 0.1818 0.2758 -0.0020 0.0206 0.0107 312 ILE A O 2381 C CB . ILE A 295 ? 0.2683 0.1940 0.3286 -0.0026 0.0334 0.0085 312 ILE A CB 2382 C CG1 . ILE A 295 ? 0.3219 0.2366 0.3948 -0.0039 0.0397 0.0106 312 ILE A CG1 2383 C CG2 . ILE A 295 ? 0.2871 0.2063 0.3376 -0.0011 0.0343 0.0002 312 ILE A CG2 2384 C CD1 . ILE A 295 ? 0.3095 0.2172 0.3875 0.0025 0.0472 0.0175 312 ILE A CD1 2385 N N . GLN A 296 ? 0.2264 0.1709 0.2668 -0.0095 0.0153 -0.0045 313 GLN A N 2386 C CA . GLN A 296 ? 0.2254 0.1776 0.2548 -0.0079 0.0102 -0.0053 313 GLN A CA 2387 C C . GLN A 296 ? 0.2337 0.1820 0.2554 -0.0029 0.0145 -0.0043 313 GLN A C 2388 O O . GLN A 296 ? 0.2407 0.1784 0.2610 -0.0021 0.0196 -0.0084 313 GLN A O 2389 C CB . GLN A 296 ? 0.2258 0.1785 0.2491 -0.0123 0.0034 -0.0139 313 GLN A CB 2390 C CG . GLN A 296 ? 0.2093 0.1689 0.2209 -0.0104 -0.0016 -0.0141 313 GLN A CG 2391 C CD . GLN A 296 ? 0.2233 0.1866 0.2313 -0.0145 -0.0100 -0.0200 313 GLN A CD 2392 O OE1 . GLN A 296 ? 0.2226 0.1900 0.2414 -0.0185 -0.0135 -0.0210 313 GLN A OE1 2393 N NE2 . GLN A 296 ? 0.2750 0.2380 0.2686 -0.0133 -0.0134 -0.0232 313 GLN A NE2 2394 N N . GLY A 297 ? 0.2251 0.1816 0.2433 0.0003 0.0132 0.0010 314 GLY A N 2395 C CA . GLY A 297 ? 0.2503 0.2054 0.2630 0.0047 0.0171 0.0024 314 GLY A CA 2396 C C . GLY A 297 ? 0.2159 0.1676 0.2151 0.0043 0.0160 -0.0042 314 GLY A C 2397 O O . GLY A 297 ? 0.2716 0.2221 0.2644 0.0005 0.0108 -0.0105 314 GLY A O 2398 N N A ARG A 298 ? 0.2589 0.2094 0.2537 0.0084 0.0210 -0.0023 315 ARG A N 2399 N N B ARG A 298 ? 0.2492 0.2000 0.2443 0.0085 0.0209 -0.0020 315 ARG A N 2400 C CA A ARG A 298 ? 0.2595 0.2067 0.2394 0.0089 0.0215 -0.0071 315 ARG A CA 2401 C CA B ARG A 298 ? 0.2473 0.1936 0.2279 0.0094 0.0226 -0.0070 315 ARG A CA 2402 C C A ARG A 298 ? 0.2746 0.2273 0.2544 0.0131 0.0251 -0.0006 315 ARG A C 2403 C C B ARG A 298 ? 0.2707 0.2238 0.2508 0.0131 0.0249 -0.0003 315 ARG A C 2404 O O A ARG A 298 ? 0.2459 0.2026 0.2376 0.0158 0.0284 0.0060 315 ARG A O 2405 O O B ARG A 298 ? 0.2624 0.2212 0.2544 0.0153 0.0267 0.0067 315 ARG A O 2406 C CB A ARG A 298 ? 0.3780 0.3120 0.3508 0.0094 0.0277 -0.0149 315 ARG A CB 2407 C CB B ARG A 298 ? 0.2520 0.1855 0.2295 0.0110 0.0308 -0.0127 315 ARG A CB 2408 C CG A ARG A 298 ? 0.5011 0.4278 0.4858 0.0089 0.0317 -0.0160 315 ARG A CG 2409 C CG B ARG A 298 ? 0.2594 0.1838 0.2348 0.0064 0.0285 -0.0218 315 ARG A CG 2410 C CD A ARG A 298 ? 0.4159 0.3281 0.3948 0.0106 0.0401 -0.0233 315 ARG A CD 2411 C CD B ARG A 298 ? 0.3947 0.3044 0.3664 0.0082 0.0373 -0.0284 315 ARG A CD 2412 N NE A ARG A 298 ? 0.6543 0.5590 0.6182 0.0060 0.0360 -0.0347 315 ARG A NE 2413 N NE B ARG A 298 ? 0.3246 0.2321 0.2866 0.0132 0.0446 -0.0281 315 ARG A NE 2414 C CZ A ARG A 298 ? 0.5438 0.4458 0.4890 0.0068 0.0363 -0.0399 315 ARG A CZ 2415 C CZ B ARG A 298 ? 0.6262 0.5262 0.5690 0.0130 0.0463 -0.0362 315 ARG A CZ 2416 N NH1 A ARG A 298 ? 0.7622 0.6679 0.7030 0.0119 0.0419 -0.0343 315 ARG A NH1 2417 N NH1 B ARG A 298 ? 0.7063 0.6008 0.6373 0.0076 0.0397 -0.0461 315 ARG A NH1 2418 N NH2 A ARG A 298 ? 0.2892 0.1851 0.2202 0.0021 0.0309 -0.0503 315 ARG A NH2 2419 N NH2 B ARG A 298 ? 0.4750 0.3735 0.4105 0.0181 0.0548 -0.0344 315 ARG A NH2 2420 N N . ARG A 299 ? 0.2406 0.1934 0.2073 0.0135 0.0245 -0.0022 316 ARG A N 2421 C CA . ARG A 299 ? 0.2410 0.1972 0.2074 0.0172 0.0299 0.0033 316 ARG A CA 2422 C C . ARG A 299 ? 0.2983 0.2460 0.2642 0.0209 0.0404 0.0011 316 ARG A C 2423 O O . ARG A 299 ? 0.3146 0.2521 0.2677 0.0205 0.0432 -0.0068 316 ARG A O 2424 C CB . ARG A 299 ? 0.2707 0.2281 0.2223 0.0169 0.0274 0.0030 316 ARG A CB 2425 C CG . ARG A 299 ? 0.3176 0.2794 0.2721 0.0202 0.0333 0.0102 316 ARG A CG 2426 C CD . ARG A 299 ? 0.3177 0.2804 0.2585 0.0201 0.0316 0.0117 316 ARG A CD 2427 N NE . ARG A 299 ? 0.3166 0.2703 0.2376 0.0211 0.0354 0.0056 316 ARG A NE 2428 C CZ . ARG A 299 ? 0.3862 0.3385 0.2897 0.0211 0.0334 0.0057 316 ARG A CZ 2429 N NH1 . ARG A 299 ? 0.4246 0.3837 0.3299 0.0205 0.0281 0.0121 316 ARG A NH1 2430 N NH2 . ARG A 299 ? 0.4756 0.4190 0.3590 0.0219 0.0368 -0.0006 316 ARG A NH2 2431 N N . ILE A 300 ? 0.2734 0.2251 0.2536 0.0245 0.0462 0.0079 317 ILE A N 2432 C CA . ILE A 300 ? 0.2961 0.2408 0.2797 0.0291 0.0573 0.0071 317 ILE A CA 2433 C C . ILE A 300 ? 0.3535 0.3005 0.3350 0.0329 0.0655 0.0109 317 ILE A C 2434 O O . ILE A 300 ? 0.4001 0.3393 0.3787 0.0368 0.0760 0.0082 317 ILE A O 2435 C CB . ILE A 300 ? 0.2930 0.2397 0.2966 0.0315 0.0594 0.0124 317 ILE A CB 2436 C CG1 . ILE A 300 ? 0.3047 0.2655 0.3233 0.0321 0.0553 0.0225 317 ILE A CG1 2437 C CG2 . ILE A 300 ? 0.3037 0.2448 0.3081 0.0281 0.0546 0.0081 317 ILE A CG2 2438 C CD1 . ILE A 300 ? 0.3210 0.2852 0.3592 0.0361 0.0589 0.0295 317 ILE A CD1 2439 N N . HIS A 301 ? 0.3058 0.2627 0.2894 0.0318 0.0615 0.0170 318 HIS A N 2440 C CA . HIS A 301 ? 0.3503 0.3104 0.3341 0.0349 0.0695 0.0218 318 HIS A CA 2441 C C . HIS A 301 ? 0.3112 0.2763 0.2862 0.0321 0.0637 0.0245 318 HIS A C 2442 O O . HIS A 301 ? 0.2908 0.2619 0.2701 0.0286 0.0537 0.0262 318 HIS A O 2443 C CB . HIS A 301 ? 0.4554 0.4253 0.4634 0.0376 0.0729 0.0307 318 HIS A CB 2444 C CG . HIS A 301 ? 0.7453 0.7108 0.7622 0.0430 0.0845 0.0309 318 HIS A CG 2445 N ND1 . HIS A 301 ? 1.0360 1.0025 1.0569 0.0472 0.0962 0.0343 318 HIS A ND1 2446 C CD2 . HIS A 301 ? 0.9395 0.8994 0.9639 0.0453 0.0870 0.0287 318 HIS A CD2 2447 C CE1 . HIS A 301 ? 1.0995 1.0613 1.1299 0.0522 0.1055 0.0338 318 HIS A CE1 2448 N NE2 . HIS A 301 ? 0.9977 0.9550 1.0304 0.0512 0.0999 0.0305 318 HIS A NE2 2449 N N . LYS A 302 ? 0.3646 0.3265 0.3273 0.0340 0.0709 0.0252 319 LYS A N 2450 C CA . LYS A 302 ? 0.3474 0.3136 0.3036 0.0323 0.0677 0.0298 319 LYS A CA 2451 C C . LYS A 302 ? 0.4274 0.3954 0.3879 0.0357 0.0799 0.0362 319 LYS A C 2452 O O . LYS A 302 ? 0.5219 0.4825 0.4718 0.0394 0.0905 0.0333 319 LYS A O 2453 C CB . LYS A 302 ? 0.4376 0.3966 0.3684 0.0307 0.0630 0.0241 319 LYS A CB 2454 C CG . LYS A 302 ? 0.6966 0.6598 0.6216 0.0292 0.0583 0.0299 319 LYS A CG 2455 C CD . LYS A 302 ? 0.8725 0.8287 0.7705 0.0291 0.0557 0.0257 319 LYS A CD 2456 C CE . LYS A 302 ? 0.9584 0.9181 0.8512 0.0286 0.0521 0.0332 319 LYS A CE 2457 N NZ . LYS A 302 ? 0.9834 0.9375 0.8496 0.0289 0.0480 0.0300 319 LYS A NZ 2458 N N . GLU A 303 ? 0.4013 0.3788 0.3780 0.0345 0.0787 0.0445 320 GLU A N 2459 C CA . GLU A 303 ? 0.3922 0.3739 0.3801 0.0372 0.0904 0.0518 320 GLU A CA 2460 C C . GLU A 303 ? 0.3903 0.3716 0.3678 0.0362 0.0921 0.0569 320 GLU A C 2461 O O . GLU A 303 ? 0.3892 0.3705 0.3595 0.0329 0.0823 0.0569 320 GLU A O 2462 C CB . GLU A 303 ? 0.4071 0.4009 0.4252 0.0361 0.0879 0.0580 320 GLU A CB 2463 C CG . GLU A 303 ? 0.5692 0.5656 0.5981 0.0355 0.0804 0.0548 320 GLU A CG 2464 C CD . GLU A 303 ? 0.7953 0.7922 0.8375 0.0403 0.0894 0.0556 320 GLU A CD 2465 O OE1 . GLU A 303 ? 0.7514 0.7543 0.8087 0.0429 0.0984 0.0619 320 GLU A OE1 2466 O OE2 . GLU A 303 ? 0.7657 0.7572 0.8049 0.0416 0.0876 0.0504 320 GLU A OE2 2467 N N . LYS A 304 ? 0.4293 0.4100 0.4066 0.0393 0.1054 0.0620 321 LYS A N 2468 C CA . LYS A 304 ? 0.4501 0.4310 0.4211 0.0386 0.1089 0.0693 321 LYS A CA 2469 C C . LYS A 304 ? 0.3916 0.3815 0.3834 0.0339 0.1005 0.0758 321 LYS A C 2470 O O . LYS A 304 ? 0.4103 0.3986 0.3950 0.0322 0.0986 0.0803 321 LYS A O 2471 C CB . LYS A 304 ? 0.5802 0.5603 0.5520 0.0429 0.1267 0.0747 321 LYS A CB 2472 C CG . LYS A 304 ? 0.7958 0.7876 0.8016 0.0426 0.1330 0.0831 321 LYS A CG 2473 C CD . LYS A 304 ? 0.8766 0.8746 0.9039 0.0434 0.1302 0.0799 321 LYS A CD 2474 C CE . LYS A 304 ? 0.8735 0.8850 0.9327 0.0392 0.1224 0.0858 321 LYS A CE 2475 N NZ . LYS A 304 ? 0.6352 0.6501 0.7035 0.0385 0.1118 0.0807 321 LYS A NZ 2476 N N . SER A 305 ? 0.3806 0.3792 0.3970 0.0318 0.0952 0.0759 322 SER A N 2477 C CA . SER A 305 ? 0.3258 0.3320 0.3606 0.0268 0.0859 0.0799 322 SER A CA 2478 C C . SER A 305 ? 0.3515 0.3540 0.3741 0.0238 0.0726 0.0751 322 SER A C 2479 O O . SER A 305 ? 0.3313 0.3377 0.3653 0.0198 0.0650 0.0770 322 SER A O 2480 C CB . SER A 305 ? 0.3377 0.3542 0.3990 0.0256 0.0827 0.0805 322 SER A CB 2481 O OG . SER A 305 ? 0.3552 0.3702 0.4116 0.0266 0.0762 0.0736 322 SER A OG 2482 N N . LEU A 306 ? 0.3004 0.2953 0.3008 0.0257 0.0702 0.0685 323 LEU A N 2483 C CA . LEU A 306 ? 0.3047 0.2966 0.2937 0.0235 0.0583 0.0636 323 LEU A CA 2484 C C . LEU A 306 ? 0.2779 0.2747 0.2797 0.0211 0.0492 0.0592 323 LEU A C 2485 O O . LEU A 306 ? 0.2797 0.2761 0.2784 0.0188 0.0397 0.0564 323 LEU A O 2486 C CB . LEU A 306 ? 0.3370 0.3281 0.3237 0.0215 0.0544 0.0685 323 LEU A CB 2487 C CG . LEU A 306 ? 0.4264 0.4127 0.4000 0.0238 0.0631 0.0748 323 LEU A CG 2488 C CD1 . LEU A 306 ? 0.4218 0.4061 0.3930 0.0221 0.0575 0.0796 323 LEU A CD1 2489 C CD2 . LEU A 306 ? 0.4821 0.4611 0.4297 0.0274 0.0668 0.0701 323 LEU A CD2 2490 N N . ILE A 307 ? 0.2412 0.2425 0.2571 0.0221 0.0525 0.0593 324 ILE A N 2491 C CA . ILE A 307 ? 0.2520 0.2566 0.2757 0.0210 0.0452 0.0555 324 ILE A CA 2492 C C . ILE A 307 ? 0.2668 0.2643 0.2769 0.0233 0.0464 0.0489 324 ILE A C 2493 O O . ILE A 307 ? 0.2960 0.2888 0.2999 0.0267 0.0555 0.0479 324 ILE A O 2494 C CB . ILE A 307 ? 0.2333 0.2468 0.2798 0.0212 0.0471 0.0598 324 ILE A CB 2495 C CG1 . ILE A 307 ? 0.2473 0.2678 0.3089 0.0180 0.0458 0.0657 324 ILE A CG1 2496 C CG2 . ILE A 307 ? 0.2281 0.2446 0.2803 0.0205 0.0394 0.0568 324 ILE A CG2 2497 C CD1 . ILE A 307 ? 0.2522 0.2724 0.3116 0.0136 0.0358 0.0641 324 ILE A CD1 2498 N N . GLU A 308 ? 0.2417 0.2380 0.2473 0.0213 0.0378 0.0441 325 GLU A N 2499 C CA . GLU A 308 ? 0.2318 0.2216 0.2276 0.0224 0.0378 0.0376 325 GLU A CA 2500 C C . GLU A 308 ? 0.2276 0.2211 0.2365 0.0219 0.0343 0.0375 325 GLU A C 2501 O O . GLU A 308 ? 0.2523 0.2527 0.2713 0.0198 0.0283 0.0405 325 GLU A O 2502 C CB . GLU A 308 ? 0.3040 0.2895 0.2843 0.0202 0.0308 0.0328 325 GLU A CB 2503 C CG . GLU A 308 ? 0.3378 0.3203 0.3043 0.0209 0.0328 0.0343 325 GLU A CG 2504 C CD . GLU A 308 ? 0.4234 0.4025 0.3748 0.0194 0.0255 0.0299 325 GLU A CD 2505 O OE1 . GLU A 308 ? 0.3908 0.3715 0.3461 0.0172 0.0182 0.0264 325 GLU A OE1 2506 O OE2 . GLU A 308 ? 0.5765 0.5520 0.5129 0.0205 0.0269 0.0307 325 GLU A OE2 2507 N N . VAL A 309 ? 0.2119 0.2002 0.2199 0.0240 0.0383 0.0342 326 VAL A N 2508 C CA . VAL A 309 ? 0.2096 0.2004 0.2290 0.0241 0.0357 0.0351 326 VAL A CA 2509 C C . VAL A 309 ? 0.2598 0.2426 0.2695 0.0229 0.0335 0.0283 326 VAL A C 2510 O O . VAL A 309 ? 0.2462 0.2201 0.2453 0.0239 0.0384 0.0229 326 VAL A O 2511 C CB . VAL A 309 ? 0.2208 0.2132 0.2539 0.0283 0.0432 0.0392 326 VAL A CB 2512 C CG1 . VAL A 309 ? 0.2355 0.2310 0.2799 0.0286 0.0392 0.0417 326 VAL A CG1 2513 C CG2 . VAL A 309 ? 0.2499 0.2511 0.2951 0.0293 0.0461 0.0460 326 VAL A CG2 2514 N N . TYR A 310 ? 0.2412 0.2270 0.2544 0.0204 0.0265 0.0284 327 TYR A N 2515 C CA . TYR A 310 ? 0.1968 0.1767 0.2059 0.0186 0.0243 0.0233 327 TYR A CA 2516 C C . TYR A 310 ? 0.2195 0.2000 0.2404 0.0201 0.0257 0.0269 327 TYR A C 2517 O O . TYR A 310 ? 0.2250 0.2133 0.2557 0.0211 0.0238 0.0333 327 TYR A O 2518 C CB . TYR A 310 ? 0.2194 0.2028 0.2244 0.0149 0.0162 0.0217 327 TYR A CB 2519 C CG . TYR A 310 ? 0.2091 0.1911 0.2021 0.0136 0.0138 0.0183 327 TYR A CG 2520 C CD1 . TYR A 310 ? 0.2516 0.2374 0.2431 0.0144 0.0140 0.0219 327 TYR A CD1 2521 C CD2 . TYR A 310 ? 0.2946 0.2719 0.2789 0.0114 0.0108 0.0121 327 TYR A CD2 2522 C CE1 . TYR A 310 ? 0.2996 0.2839 0.2797 0.0138 0.0118 0.0203 327 TYR A CE1 2523 C CE2 . TYR A 310 ? 0.3498 0.3267 0.3227 0.0106 0.0075 0.0099 327 TYR A CE2 2524 C CZ . TYR A 310 ? 0.3030 0.2831 0.2733 0.0122 0.0083 0.0145 327 TYR A CZ 2525 O OH . TYR A 310 ? 0.4835 0.4629 0.4420 0.0118 0.0050 0.0136 327 TYR A OH 2526 N N . MET A 311 ? 0.2133 0.1855 0.2334 0.0199 0.0283 0.0229 328 MET A N 2527 C CA . MET A 311 ? 0.2376 0.2088 0.2686 0.0215 0.0301 0.0271 328 MET A CA 2528 C C . MET A 311 ? 0.2539 0.2194 0.2829 0.0181 0.0280 0.0229 328 MET A C 2529 O O . MET A 311 ? 0.2367 0.1943 0.2580 0.0158 0.0288 0.0152 328 MET A O 2530 C CB . MET A 311 ? 0.2244 0.1893 0.2617 0.0262 0.0391 0.0281 328 MET A CB 2531 C CG . MET A 311 ? 0.2515 0.2170 0.3028 0.0293 0.0412 0.0352 328 MET A CG 2532 S SD . MET A 311 ? 0.3544 0.3075 0.4063 0.0274 0.0434 0.0314 328 MET A SD 2533 C CE . MET A 311 ? 0.4488 0.3869 0.4959 0.0294 0.0530 0.0224 328 MET A CE 2534 N N . ARG A 312 ? 0.2396 0.2091 0.2753 0.0175 0.0253 0.0281 329 ARG A N 2535 C CA . ARG A 312 ? 0.2442 0.2083 0.2815 0.0145 0.0250 0.0259 329 ARG A CA 2536 C C . ARG A 312 ? 0.2317 0.1926 0.2795 0.0174 0.0295 0.0326 329 ARG A C 2537 O O . ARG A 312 ? 0.2560 0.2245 0.3083 0.0199 0.0278 0.0408 329 ARG A O 2538 C CB . ARG A 312 ? 0.2560 0.2274 0.2909 0.0111 0.0188 0.0265 329 ARG A CB 2539 C CG . ARG A 312 ? 0.2547 0.2216 0.2927 0.0076 0.0191 0.0240 329 ARG A CG 2540 C CD . ARG A 312 ? 0.2202 0.1944 0.2573 0.0047 0.0144 0.0247 329 ARG A CD 2541 N NE . ARG A 312 ? 0.2362 0.2065 0.2800 0.0019 0.0167 0.0247 329 ARG A NE 2542 C CZ . ARG A 312 ? 0.2846 0.2595 0.3310 -0.0006 0.0152 0.0258 329 ARG A CZ 2543 N NH1 . ARG A 312 ? 0.2224 0.2059 0.2643 -0.0006 0.0112 0.0262 329 ARG A NH1 2544 N NH2 . ARG A 312 ? 0.2678 0.2381 0.3224 -0.0032 0.0187 0.0264 329 ARG A NH2 2545 N N . PRO A 313 ? 0.2352 0.1847 0.2866 0.0168 0.0346 0.0292 330 PRO A N 2546 C CA . PRO A 313 ? 0.2355 0.1806 0.2978 0.0196 0.0392 0.0367 330 PRO A CA 2547 C C . PRO A 313 ? 0.2332 0.1825 0.2976 0.0170 0.0362 0.0418 330 PRO A C 2548 O O . PRO A 313 ? 0.2566 0.2063 0.3171 0.0120 0.0332 0.0364 330 PRO A O 2549 C CB . PRO A 313 ? 0.2889 0.2187 0.3538 0.0187 0.0456 0.0296 330 PRO A CB 2550 C CG . PRO A 313 ? 0.3892 0.3162 0.4429 0.0159 0.0440 0.0185 330 PRO A CG 2551 C CD . PRO A 313 ? 0.2631 0.2023 0.3086 0.0138 0.0365 0.0185 330 PRO A CD 2552 N N . LEU A 314 ? 0.2432 0.1958 0.3136 0.0206 0.0372 0.0524 331 LEU A N 2553 C CA . LEU A 314 ? 0.2258 0.1829 0.2958 0.0190 0.0352 0.0586 331 LEU A CA 2554 C C . LEU A 314 ? 0.2629 0.2131 0.3423 0.0219 0.0409 0.0675 331 LEU A C 2555 O O . LEU A 314 ? 0.2741 0.2166 0.3616 0.0257 0.0461 0.0692 331 LEU A O 2556 C CB . LEU A 314 ? 0.2489 0.2193 0.3125 0.0205 0.0289 0.0639 331 LEU A CB 2557 C CG . LEU A 314 ? 0.2090 0.1863 0.2645 0.0182 0.0234 0.0567 331 LEU A CG 2558 C CD1 . LEU A 314 ? 0.2282 0.2169 0.2794 0.0198 0.0176 0.0622 331 LEU A CD1 2559 C CD2 . LEU A 314 ? 0.2260 0.2024 0.2766 0.0129 0.0218 0.0493 331 LEU A CD2 2560 N N A SER A 315 ? 0.2765 0.2289 0.3551 0.0204 0.0409 0.0736 332 SER A N 2561 N N B SER A 315 ? 0.2409 0.1937 0.3193 0.0205 0.0407 0.0737 332 SER A N 2562 C CA A SER A 315 ? 0.3208 0.2666 0.4078 0.0230 0.0466 0.0836 332 SER A CA 2563 C CA B SER A 315 ? 0.2348 0.1820 0.3208 0.0232 0.0460 0.0843 332 SER A CA 2564 C C A SER A 315 ? 0.3284 0.2798 0.4173 0.0300 0.0452 0.0952 332 SER A C 2565 C C B SER A 315 ? 0.2716 0.2231 0.3607 0.0303 0.0452 0.0952 332 SER A C 2566 O O A SER A 315 ? 0.3431 0.3059 0.4257 0.0317 0.0388 0.0962 332 SER A O 2567 O O B SER A 315 ? 0.2503 0.2126 0.3343 0.0323 0.0391 0.0959 332 SER A O 2568 C CB A SER A 315 ? 0.4019 0.3492 0.4864 0.0196 0.0478 0.0878 332 SER A CB 2569 C CB B SER A 315 ? 0.2559 0.2074 0.3369 0.0206 0.0457 0.0895 332 SER A CB 2570 O OG A SER A 315 ? 0.3989 0.3586 0.4715 0.0192 0.0418 0.0888 332 SER A OG 2571 O OG B SER A 315 ? 0.2888 0.2360 0.3721 0.0143 0.0477 0.0812 332 SER A OG 2572 N N . ASN A 316 ? 0.2985 0.2419 0.3976 0.0340 0.0511 0.1041 333 ASN A N 2573 C CA . ASN A 316 ? 0.3023 0.2511 0.4057 0.0412 0.0497 0.1172 333 ASN A CA 2574 C C . ASN A 316 ? 0.2955 0.2491 0.4036 0.0451 0.0475 0.1145 333 ASN A C 2575 O O . ASN A 316 ? 0.3209 0.2865 0.4288 0.0490 0.0416 0.1220 333 ASN A O 2576 C CB . ASN A 316 ? 0.4326 0.3942 0.5238 0.0413 0.0428 0.1250 333 ASN A CB 2577 C CG . ASN A 316 ? 0.5910 0.5528 0.6849 0.0465 0.0442 0.1409 333 ASN A CG 2578 O OD1 . ASN A 316 ? 0.8566 0.8076 0.9565 0.0465 0.0517 0.1461 333 ASN A OD1 2579 N ND2 . ASN A 316 ? 0.5924 0.5667 0.6818 0.0506 0.0366 0.1492 333 ASN A ND2 2580 N N . LYS A 317 ? 0.2772 0.2217 0.3896 0.0438 0.0523 0.1036 334 LYS A N 2581 C CA . LYS A 317 ? 0.2909 0.2373 0.4087 0.0476 0.0532 0.1004 334 LYS A CA 2582 C C . LYS A 317 ? 0.2700 0.2309 0.3794 0.0460 0.0452 0.0968 334 LYS A C 2583 O O . LYS A 317 ? 0.3223 0.2875 0.4373 0.0493 0.0456 0.0962 334 LYS A O 2584 C CB . LYS A 317 ? 0.3515 0.2976 0.4845 0.0560 0.0569 0.1128 334 LYS A CB 2585 C CG . LYS A 317 ? 0.3984 0.3292 0.5410 0.0580 0.0652 0.1180 334 LYS A CG 2586 C CD . LYS A 317 ? 0.6425 0.5713 0.8023 0.0671 0.0701 0.1291 334 LYS A CD 2587 C CE . LYS A 317 ? 0.8018 0.7135 0.9719 0.0692 0.0791 0.1345 334 LYS A CE 2588 N NZ . LYS A 317 ? 0.9290 0.8225 1.0987 0.0642 0.0870 0.1197 334 LYS A NZ 2589 N N . ALA A 318 ? 0.2740 0.2415 0.3711 0.0408 0.0388 0.0941 335 ALA A N 2590 C CA . ALA A 318 ? 0.2579 0.2375 0.3469 0.0387 0.0313 0.0903 335 ALA A CA 2591 C C . ALA A 318 ? 0.2658 0.2411 0.3490 0.0346 0.0325 0.0773 335 ALA A C 2592 O O . ALA A 318 ? 0.2474 0.2111 0.3301 0.0324 0.0378 0.0703 335 ALA A O 2593 C CB . ALA A 318 ? 0.2337 0.2214 0.3118 0.0357 0.0246 0.0933 335 ALA A CB 2594 N N . SER A 319 ? 0.2252 0.2098 0.3039 0.0336 0.0274 0.0746 336 SER A N 2595 C CA . SER A 319 ? 0.2322 0.2146 0.3042 0.0303 0.0277 0.0641 336 SER A CA 2596 C C . SER A 319 ? 0.2409 0.2336 0.3050 0.0273 0.0201 0.0626 336 SER A C 2597 O O . SER A 319 ? 0.2189 0.2211 0.2846 0.0283 0.0150 0.0690 336 SER A O 2598 C CB . SER A 319 ? 0.2789 0.2597 0.3574 0.0341 0.0327 0.0630 336 SER A CB 2599 O OG . SER A 319 ? 0.3314 0.3014 0.4177 0.0376 0.0408 0.0635 336 SER A OG 2600 N N . ALA A 320 ? 0.2419 0.2325 0.2977 0.0235 0.0190 0.0541 337 ALA A N 2601 C CA . ALA A 320 ? 0.2505 0.2488 0.3003 0.0211 0.0133 0.0518 337 ALA A CA 2602 C C . ALA A 320 ? 0.2096 0.2071 0.2593 0.0218 0.0157 0.0481 337 ALA A C 2603 O O . ALA A 320 ? 0.2390 0.2283 0.2856 0.0218 0.0203 0.0426 337 ALA A O 2604 C CB . ALA A 320 ? 0.2361 0.2333 0.2771 0.0168 0.0103 0.0464 337 ALA A CB 2605 N N . LEU A 321 ? 0.2106 0.2165 0.2634 0.0222 0.0127 0.0509 338 LEU A N 2606 C CA . LEU A 321 ? 0.2242 0.2304 0.2764 0.0224 0.0151 0.0483 338 LEU A CA 2607 C C . LEU A 321 ? 0.2138 0.2245 0.2598 0.0188 0.0093 0.0459 338 LEU A C 2608 O O . LEU A 321 ? 0.2068 0.2243 0.2545 0.0173 0.0035 0.0486 338 LEU A O 2609 C CB . LEU A 321 ? 0.1969 0.2091 0.2620 0.0260 0.0178 0.0544 338 LEU A CB 2610 C CG . LEU A 321 ? 0.2481 0.2550 0.3214 0.0308 0.0255 0.0569 338 LEU A CG 2611 C CD1 . LEU A 321 ? 0.2544 0.2708 0.3445 0.0347 0.0267 0.0650 338 LEU A CD1 2612 C CD2 . LEU A 321 ? 0.2704 0.2666 0.3361 0.0315 0.0334 0.0499 338 LEU A CD2 2613 N N . VAL A 322 ? 0.1890 0.1955 0.2273 0.0176 0.0109 0.0409 339 VAL A N 2614 C CA . VAL A 322 ? 0.1877 0.1976 0.2220 0.0150 0.0068 0.0397 339 VAL A CA 2615 C C . VAL A 322 ? 0.1735 0.1835 0.2093 0.0163 0.0113 0.0408 339 VAL A C 2616 O O . VAL A 322 ? 0.2133 0.2169 0.2425 0.0177 0.0166 0.0380 339 VAL A O 2617 C CB . VAL A 322 ? 0.2143 0.2203 0.2384 0.0126 0.0038 0.0344 339 VAL A CB 2618 C CG1 . VAL A 322 ? 0.1847 0.1933 0.2063 0.0108 0.0004 0.0340 339 VAL A CG1 2619 C CG2 . VAL A 322 ? 0.2052 0.2118 0.2293 0.0113 0.0007 0.0340 339 VAL A CG2 2620 N N . PHE A 323 ? 0.1948 0.2119 0.2391 0.0155 0.0093 0.0448 340 PHE A N 2621 C CA . PHE A 323 ? 0.1827 0.2011 0.2304 0.0159 0.0135 0.0470 340 PHE A CA 2622 C C . PHE A 323 ? 0.1887 0.2057 0.2291 0.0129 0.0097 0.0449 340 PHE A C 2623 O O . PHE A 323 ? 0.1900 0.2107 0.2336 0.0102 0.0034 0.0449 340 PHE A O 2624 C CB . PHE A 323 ? 0.1899 0.2177 0.2544 0.0160 0.0128 0.0529 340 PHE A CB 2625 C CG . PHE A 323 ? 0.1625 0.1932 0.2365 0.0193 0.0148 0.0563 340 PHE A CG 2626 C CD1 . PHE A 323 ? 0.2326 0.2611 0.3116 0.0235 0.0239 0.0581 340 PHE A CD1 2627 C CD2 . PHE A 323 ? 0.2115 0.2470 0.2893 0.0187 0.0081 0.0582 340 PHE A CD2 2628 C CE1 . PHE A 323 ? 0.2857 0.3163 0.3755 0.0273 0.0263 0.0619 340 PHE A CE1 2629 C CE2 . PHE A 323 ? 0.2242 0.2626 0.3117 0.0224 0.0098 0.0629 340 PHE A CE2 2630 C CZ . PHE A 323 ? 0.2176 0.2535 0.3122 0.0268 0.0189 0.0649 340 PHE A CZ 2631 N N . PHE A 324 ? 0.1876 0.1987 0.2177 0.0137 0.0134 0.0431 341 PHE A N 2632 C CA . PHE A 324 ? 0.1959 0.2045 0.2181 0.0118 0.0099 0.0417 341 PHE A CA 2633 C C . PHE A 324 ? 0.1865 0.1944 0.2087 0.0123 0.0147 0.0456 341 PHE A C 2634 O O . PHE A 324 ? 0.2005 0.2051 0.2171 0.0148 0.0216 0.0463 341 PHE A O 2635 C CB . PHE A 324 ? 0.1899 0.1926 0.1986 0.0124 0.0087 0.0367 341 PHE A CB 2636 C CG . PHE A 324 ? 0.1964 0.1970 0.1971 0.0114 0.0049 0.0358 341 PHE A CG 2637 C CD1 . PHE A 324 ? 0.2268 0.2227 0.2146 0.0124 0.0052 0.0332 341 PHE A CD1 2638 C CD2 . PHE A 324 ? 0.1932 0.1963 0.1991 0.0096 0.0005 0.0371 341 PHE A CD2 2639 C CE1 . PHE A 324 ? 0.2704 0.2653 0.2516 0.0121 0.0008 0.0332 341 PHE A CE1 2640 C CE2 . PHE A 324 ? 0.2094 0.2103 0.2096 0.0095 -0.0025 0.0369 341 PHE A CE2 2641 C CZ . PHE A 324 ? 0.2220 0.2194 0.2104 0.0110 -0.0027 0.0356 341 PHE A CZ 2642 N N . SER A 325 ? 0.1889 0.1990 0.2171 0.0099 0.0118 0.0480 342 SER A N 2643 C CA . SER A 325 ? 0.1778 0.1867 0.2073 0.0100 0.0167 0.0527 342 SER A CA 2644 C C . SER A 325 ? 0.2145 0.2174 0.2308 0.0105 0.0152 0.0525 342 SER A C 2645 O O . SER A 325 ? 0.2328 0.2350 0.2499 0.0087 0.0093 0.0510 342 SER A O 2646 C CB . SER A 325 ? 0.2302 0.2442 0.2761 0.0066 0.0149 0.0561 342 SER A CB 2647 O OG . SER A 325 ? 0.2256 0.2372 0.2728 0.0065 0.0202 0.0613 342 SER A OG 2648 N N A CYS A 326 ? 0.2284 0.2271 0.2328 0.0131 0.0210 0.0540 343 CYS A N 2649 N N B CYS A 326 ? 0.2554 0.2540 0.2594 0.0131 0.0207 0.0539 343 CYS A N 2650 C CA A CYS A 326 ? 0.2538 0.2476 0.2452 0.0142 0.0203 0.0559 343 CYS A CA 2651 C CA B CYS A 326 ? 0.3290 0.3229 0.3212 0.0139 0.0194 0.0560 343 CYS A CA 2652 C C A CYS A 326 ? 0.2606 0.2537 0.2582 0.0137 0.0247 0.0635 343 CYS A C 2653 C C B CYS A 326 ? 0.2975 0.2905 0.2946 0.0138 0.0253 0.0637 343 CYS A C 2654 O O A CYS A 326 ? 0.2826 0.2714 0.2703 0.0150 0.0248 0.0671 343 CYS A O 2655 O O B CYS A 326 ? 0.3074 0.2959 0.2929 0.0156 0.0272 0.0676 343 CYS A O 2656 C CB A CYS A 326 ? 0.2396 0.2288 0.2125 0.0172 0.0240 0.0538 343 CYS A CB 2657 C CB B CYS A 326 ? 0.3975 0.3869 0.3703 0.0165 0.0203 0.0529 343 CYS A CB 2658 S SG A CYS A 326 ? 0.3403 0.3286 0.3064 0.0170 0.0185 0.0445 343 CYS A SG 2659 S SG B CYS A 326 ? 0.3910 0.3807 0.3592 0.0156 0.0110 0.0448 343 CYS A SG 2660 N N . ARG A 327 ? 0.2344 0.2319 0.2493 0.0116 0.0278 0.0663 344 ARG A N 2661 C CA . ARG A 327 ? 0.2496 0.2466 0.2739 0.0101 0.0325 0.0736 344 ARG A CA 2662 C C . ARG A 327 ? 0.2623 0.2564 0.2905 0.0078 0.0258 0.0738 344 ARG A C 2663 O O . ARG A 327 ? 0.2312 0.2259 0.2599 0.0066 0.0180 0.0679 344 ARG A O 2664 C CB . ARG A 327 ? 0.2195 0.2235 0.2648 0.0076 0.0358 0.0759 344 ARG A CB 2665 C CG . ARG A 327 ? 0.2379 0.2453 0.2834 0.0105 0.0434 0.0763 344 ARG A CG 2666 C CD . ARG A 327 ? 0.2322 0.2484 0.3017 0.0082 0.0459 0.0797 344 ARG A CD 2667 N NE . ARG A 327 ? 0.2852 0.3020 0.3664 0.0062 0.0522 0.0872 344 ARG A NE 2668 C CZ . ARG A 327 ? 0.3508 0.3671 0.4318 0.0088 0.0643 0.0934 344 ARG A CZ 2669 N NH1 . ARG A 327 ? 0.3112 0.3257 0.3793 0.0139 0.0714 0.0920 344 ARG A NH1 2670 N NH2 . ARG A 327 ? 0.3361 0.3532 0.4300 0.0064 0.0701 0.1010 344 ARG A NH2 2671 N N . THR A 328 ? 0.2545 0.2447 0.2855 0.0074 0.0300 0.0808 345 THR A N 2672 C CA . THR A 328 ? 0.2262 0.2121 0.2632 0.0055 0.0253 0.0817 345 THR A CA 2673 C C . THR A 328 ? 0.2472 0.2328 0.3034 0.0014 0.0292 0.0868 345 THR A C 2674 O O . THR A 328 ? 0.2489 0.2282 0.3088 0.0006 0.0298 0.0913 345 THR A O 2675 C CB . THR A 328 ? 0.2876 0.2671 0.3086 0.0094 0.0250 0.0858 345 THR A CB 2676 O OG1 . THR A 328 ? 0.3183 0.2957 0.3304 0.0119 0.0337 0.0935 345 THR A OG1 2677 C CG2 . THR A 328 ? 0.3224 0.3029 0.3288 0.0120 0.0183 0.0793 345 THR A CG2 2678 N N . ASP A 329 ? 0.2480 0.2407 0.3185 -0.0014 0.0314 0.0862 346 ASP A N 2679 C CA . ASP A 329 ? 0.2279 0.2221 0.3199 -0.0063 0.0345 0.0906 346 ASP A CA 2680 C C . ASP A 329 ? 0.2644 0.2638 0.3729 -0.0119 0.0263 0.0839 346 ASP A C 2681 O O . ASP A 329 ? 0.2938 0.2883 0.4092 -0.0156 0.0214 0.0812 346 ASP A O 2682 C CB . ASP A 329 ? 0.2241 0.2225 0.3227 -0.0053 0.0456 0.0984 346 ASP A CB 2683 C CG . ASP A 329 ? 0.2809 0.2879 0.3797 -0.0033 0.0474 0.0956 346 ASP A CG 2684 O OD1 . ASP A 329 ? 0.2426 0.2511 0.3315 -0.0015 0.0411 0.0885 346 ASP A OD1 2685 O OD2 . ASP A 329 ? 0.3230 0.3352 0.4333 -0.0032 0.0561 0.1012 346 ASP A OD2 2686 N N . MET A 330 ? 0.2314 0.2400 0.3449 -0.0122 0.0243 0.0808 347 MET A N 2687 C CA . MET A 330 ? 0.2328 0.2478 0.3618 -0.0176 0.0164 0.0757 347 MET A CA 2688 C C . MET A 330 ? 0.2175 0.2413 0.3443 -0.0154 0.0135 0.0725 347 MET A C 2689 O O . MET A 330 ? 0.1906 0.2144 0.3056 -0.0101 0.0185 0.0739 347 MET A O 2690 C CB . MET A 330 ? 0.2501 0.2693 0.4034 -0.0231 0.0194 0.0808 347 MET A CB 2691 C CG . MET A 330 ? 0.2555 0.2835 0.4192 -0.0213 0.0278 0.0876 347 MET A CG 2692 S SD . MET A 330 ? 0.2914 0.3245 0.4860 -0.0277 0.0335 0.0954 347 MET A SD 2693 C CE . MET A 330 ? 0.3706 0.4124 0.5687 -0.0220 0.0459 0.1029 347 MET A CE 2694 N N . PRO A 331 ? 0.1854 0.2159 0.3225 -0.0194 0.0050 0.0680 348 PRO A N 2695 C CA . PRO A 331 ? 0.2048 0.2434 0.3401 -0.0168 0.0024 0.0664 348 PRO A CA 2696 C C . PRO A 331 ? 0.2487 0.2939 0.3931 -0.0135 0.0113 0.0732 348 PRO A C 2697 O O . PRO A 331 ? 0.2268 0.2749 0.3870 -0.0156 0.0171 0.0791 348 PRO A O 2698 C CB . PRO A 331 ? 0.2231 0.2687 0.3706 -0.0223 -0.0079 0.0624 348 PRO A CB 2699 C CG . PRO A 331 ? 0.2047 0.2418 0.3508 -0.0269 -0.0119 0.0580 348 PRO A CG 2700 C CD . PRO A 331 ? 0.2565 0.2867 0.4048 -0.0261 -0.0028 0.0637 348 PRO A CD 2701 N N . TYR A 332 ? 0.2203 0.2671 0.3556 -0.0085 0.0131 0.0725 349 TYR A N 2702 C CA . TYR A 332 ? 0.2041 0.2551 0.3452 -0.0042 0.0227 0.0778 349 TYR A CA 2703 C C . TYR A 332 ? 0.2133 0.2737 0.3637 -0.0026 0.0187 0.0776 349 TYR A C 2704 O O . TYR A 332 ? 0.1996 0.2585 0.3391 -0.0016 0.0122 0.0730 349 TYR A O 2705 C CB . TYR A 332 ? 0.2048 0.2462 0.3239 0.0012 0.0302 0.0768 349 TYR A CB 2706 C CG . TYR A 332 ? 0.2043 0.2474 0.3265 0.0058 0.0423 0.0816 349 TYR A CG 2707 C CD1 . TYR A 332 ? 0.2724 0.3149 0.4006 0.0058 0.0522 0.0879 349 TYR A CD1 2708 C CD2 . TYR A 332 ? 0.2817 0.3263 0.4015 0.0103 0.0447 0.0800 349 TYR A CD2 2709 C CE1 . TYR A 332 ? 0.3286 0.3722 0.4588 0.0106 0.0648 0.0921 349 TYR A CE1 2710 C CE2 . TYR A 332 ? 0.2970 0.3421 0.4200 0.0150 0.0569 0.0837 349 TYR A CE2 2711 C CZ . TYR A 332 ? 0.3327 0.3775 0.4602 0.0152 0.0671 0.0894 349 TYR A CZ 2712 O OH . TYR A 332 ? 0.3941 0.4388 0.5234 0.0203 0.0805 0.0927 349 TYR A OH 2713 N N . ARG A 333 ? 0.2035 0.2739 0.3752 -0.0022 0.0233 0.0836 350 ARG A N 2714 C CA . ARG A 333 ? 0.2209 0.3015 0.4050 0.0001 0.0203 0.0855 350 ARG A CA 2715 C C . ARG A 333 ? 0.2114 0.2880 0.3878 0.0076 0.0314 0.0869 350 ARG A C 2716 O O . ARG A 333 ? 0.2344 0.3127 0.4201 0.0104 0.0428 0.0919 350 ARG A O 2717 C CB . ARG A 333 ? 0.2221 0.3171 0.4364 -0.0030 0.0190 0.0916 350 ARG A CB 2718 C CG . ARG A 333 ? 0.2815 0.3805 0.5050 -0.0111 0.0075 0.0892 350 ARG A CG 2719 C CD . ARG A 333 ? 0.4775 0.5910 0.7337 -0.0151 0.0071 0.0956 350 ARG A CD 2720 N NE . ARG A 333 ? 0.6373 0.7641 0.9076 -0.0175 -0.0058 0.0956 350 ARG A NE 2721 C CZ . ARG A 333 ? 0.9155 1.0444 1.1855 -0.0244 -0.0198 0.0904 350 ARG A CZ 2722 N NH1 . ARG A 333 ? 0.8743 0.9921 1.1323 -0.0295 -0.0220 0.0842 350 ARG A NH1 2723 N NH2 . ARG A 333 ? 0.9376 1.0794 1.2188 -0.0260 -0.0317 0.0912 350 ARG A NH2 2724 N N . TYR A 334 ? 0.2086 0.2789 0.3680 0.0105 0.0285 0.0823 351 TYR A N 2725 C CA . TYR A 334 ? 0.2215 0.2852 0.3708 0.0169 0.0379 0.0816 351 TYR A CA 2726 C C . TYR A 334 ? 0.2206 0.2930 0.3871 0.0209 0.0387 0.0858 351 TYR A C 2727 O O . TYR A 334 ? 0.2269 0.3042 0.3965 0.0200 0.0290 0.0855 351 TYR A O 2728 C CB . TYR A 334 ? 0.2450 0.2976 0.3696 0.0175 0.0342 0.0745 351 TYR A CB 2729 C CG . TYR A 334 ? 0.1927 0.2369 0.3058 0.0230 0.0428 0.0721 351 TYR A CG 2730 C CD1 . TYR A 334 ? 0.2950 0.3331 0.4011 0.0259 0.0545 0.0724 351 TYR A CD1 2731 C CD2 . TYR A 334 ? 0.2942 0.3357 0.4025 0.0252 0.0397 0.0693 351 TYR A CD2 2732 C CE1 . TYR A 334 ? 0.3217 0.3506 0.4154 0.0307 0.0624 0.0686 351 TYR A CE1 2733 C CE2 . TYR A 334 ? 0.2787 0.3109 0.3771 0.0297 0.0477 0.0662 351 TYR A CE2 2734 C CZ . TYR A 334 ? 0.3444 0.3702 0.4350 0.0322 0.0587 0.0651 351 TYR A CZ 2735 O OH . TYR A 334 ? 0.3970 0.4124 0.4764 0.0363 0.0665 0.0606 351 TYR A OH 2736 N N . HIS A 335 ? 0.2394 0.3137 0.4168 0.0256 0.0508 0.0901 352 HIS A N 2737 C CA . HIS A 335 ? 0.2571 0.3398 0.4541 0.0305 0.0535 0.0952 352 HIS A CA 2738 C C . HIS A 335 ? 0.2714 0.3426 0.4545 0.0369 0.0619 0.0917 352 HIS A C 2739 O O . HIS A 335 ? 0.2912 0.3522 0.4611 0.0394 0.0731 0.0887 352 HIS A O 2740 C CB . HIS A 335 ? 0.2669 0.3599 0.4893 0.0321 0.0629 0.1027 352 HIS A CB 2741 C CG . HIS A 335 ? 0.2711 0.3738 0.5082 0.0251 0.0568 0.1058 352 HIS A CG 2742 N ND1 . HIS A 335 ? 0.5421 0.6581 0.7971 0.0206 0.0432 0.1083 352 HIS A ND1 2743 C CD2 . HIS A 335 ? 0.3907 0.4912 0.6272 0.0217 0.0623 0.1067 352 HIS A CD2 2744 C CE1 . HIS A 335 ? 0.4138 0.5348 0.6794 0.0142 0.0405 0.1097 352 HIS A CE1 2745 N NE2 . HIS A 335 ? 0.4262 0.5378 0.6816 0.0148 0.0524 0.1093 352 HIS A NE2 2746 N N . SER A 336 ? 0.2694 0.3415 0.4552 0.0394 0.0567 0.0922 353 SER A N 2747 C CA . SER A 336 ? 0.2779 0.3383 0.4534 0.0452 0.0648 0.0888 353 SER A CA 2748 C C . SER A 336 ? 0.2361 0.3026 0.4286 0.0497 0.0624 0.0945 353 SER A C 2749 O O . SER A 336 ? 0.2583 0.3399 0.4727 0.0493 0.0558 0.1020 353 SER A O 2750 C CB . SER A 336 ? 0.2904 0.3372 0.4378 0.0423 0.0606 0.0801 353 SER A CB 2751 O OG . SER A 336 ? 0.3813 0.4145 0.5162 0.0467 0.0700 0.0749 353 SER A OG 2752 N N . SER A 337 ? 0.2559 0.3105 0.4390 0.0541 0.0679 0.0911 354 SER A N 2753 C CA . SER A 337 ? 0.2455 0.3026 0.4408 0.0585 0.0654 0.0963 354 SER A CA 2754 C C . SER A 337 ? 0.2278 0.2681 0.4032 0.0594 0.0677 0.0892 354 SER A C 2755 O O . SER A 337 ? 0.3267 0.3542 0.4829 0.0581 0.0737 0.0806 354 SER A O 2756 C CB . SER A 337 ? 0.3023 0.3650 0.5224 0.0661 0.0764 0.1033 354 SER A CB 2757 O OG . SER A 337 ? 0.3034 0.3516 0.5140 0.0704 0.0919 0.0974 354 SER A OG 2758 N N . LEU A 338 ? 0.2811 0.3213 0.4609 0.0613 0.0624 0.0930 355 LEU A N 2759 C CA . LEU A 338 ? 0.2869 0.3114 0.4508 0.0616 0.0646 0.0869 355 LEU A CA 2760 C C . LEU A 338 ? 0.3382 0.3487 0.5012 0.0670 0.0796 0.0822 355 LEU A C 2761 O O . LEU A 338 ? 0.3259 0.3215 0.4701 0.0651 0.0831 0.0728 355 LEU A O 2762 C CB . LEU A 338 ? 0.2740 0.3013 0.4441 0.0629 0.0572 0.0935 355 LEU A CB 2763 C CG . LEU A 338 ? 0.2588 0.2961 0.4225 0.0570 0.0426 0.0955 355 LEU A CG 2764 C CD1 . LEU A 338 ? 0.2953 0.3347 0.4638 0.0594 0.0368 0.1032 355 LEU A CD1 2765 C CD2 . LEU A 338 ? 0.2592 0.2882 0.3995 0.0505 0.0396 0.0855 355 LEU A CD2 2766 N N . GLY A 339 ? 0.3091 0.3245 0.4922 0.0735 0.0886 0.0881 356 GLY A N 2767 C CA . GLY A 339 ? 0.3661 0.3678 0.5476 0.0790 0.1045 0.0829 356 GLY A CA 2768 C C . GLY A 339 ? 0.3641 0.3565 0.5231 0.0756 0.1105 0.0724 356 GLY A C 2769 O O . GLY A 339 ? 0.4710 0.4465 0.6151 0.0770 0.1191 0.0633 356 GLY A O 2770 N N . GLN A 340 ? 0.3657 0.3684 0.5218 0.0712 0.1056 0.0737 357 GLN A N 2771 C CA . GLN A 340 ? 0.3534 0.3486 0.4875 0.0681 0.1101 0.0656 357 GLN A CA 2772 C C . GLN A 340 ? 0.3851 0.3700 0.4935 0.0620 0.1018 0.0564 357 GLN A C 2773 O O . GLN A 340 ? 0.4215 0.3971 0.5088 0.0600 0.1053 0.0486 357 GLN A O 2774 C CB . GLN A 340 ? 0.3725 0.3817 0.5134 0.0651 0.1073 0.0709 357 GLN A CB 2775 C CG . GLN A 340 ? 0.3837 0.4034 0.5501 0.0705 0.1174 0.0793 357 GLN A CG 2776 C CD . GLN A 340 ? 0.4970 0.5321 0.6750 0.0663 0.1124 0.0856 357 GLN A CD 2777 O OE1 . GLN A 340 ? 0.5465 0.5789 0.7116 0.0636 0.1163 0.0830 357 GLN A OE1 2778 N NE2 . GLN A 340 ? 0.3589 0.4100 0.5609 0.0655 0.1033 0.0941 357 GLN A NE2 2779 N N . LEU A 341 ? 0.3721 0.3595 0.4830 0.0593 0.0909 0.0581 358 LEU A N 2780 C CA . LEU A 341 ? 0.3999 0.3791 0.4910 0.0538 0.0830 0.0506 358 LEU A CA 2781 C C . LEU A 341 ? 0.4599 0.4258 0.5488 0.0555 0.0862 0.0462 358 LEU A C 2782 O O . LEU A 341 ? 0.4276 0.3900 0.5090 0.0514 0.0786 0.0433 358 LEU A O 2783 C CB . LEU A 341 ? 0.3035 0.2945 0.3975 0.0489 0.0693 0.0552 358 LEU A CB 2784 C CG . LEU A 341 ? 0.3104 0.3133 0.4071 0.0461 0.0652 0.0587 358 LEU A CG 2785 C CD1 . LEU A 341 ? 0.3612 0.3746 0.4622 0.0419 0.0521 0.0628 358 LEU A CD1 2786 C CD2 . LEU A 341 ? 0.3239 0.3204 0.4010 0.0431 0.0672 0.0519 358 LEU A CD2 2787 N N . ASN A 342 ? 0.4826 0.4411 0.5800 0.0617 0.0981 0.0462 359 ASN A N 2788 C CA . ASN A 342 ? 0.5945 0.5364 0.6886 0.0636 0.1042 0.0401 359 ASN A CA 2789 C C . ASN A 342 ? 0.5569 0.4997 0.6641 0.0642 0.0988 0.0463 359 ASN A C 2790 O O . ASN A 342 ? 0.6160 0.5453 0.7182 0.0631 0.1003 0.0409 359 ASN A O 2791 C CB . ASN A 342 ? 0.7279 0.6564 0.7966 0.0583 0.1033 0.0268 359 ASN A CB 2792 C CG . ASN A 342 ? 0.9431 0.8690 0.9961 0.0586 0.1096 0.0211 359 ASN A CG 2793 O OD1 . ASN A 342 ? 0.9474 0.8643 0.9992 0.0636 0.1224 0.0175 359 ASN A OD1 2794 N ND2 . ASN A 342 ? 1.0019 0.9353 1.0427 0.0536 0.1014 0.0205 359 ASN A ND2 2795 N N . PHE A 343 ? 0.4420 0.4005 0.5656 0.0657 0.0925 0.0579 360 PHE A N 2796 C CA . PHE A 343 ? 0.4625 0.4230 0.6009 0.0686 0.0896 0.0666 360 PHE A CA 2797 C C . PHE A 343 ? 0.5431 0.5005 0.7004 0.0774 0.1017 0.0714 360 PHE A C 2798 O O . PHE A 343 ? 0.6699 0.6361 0.8372 0.0809 0.1064 0.0748 360 PHE A O 2799 C CB . PHE A 343 ? 0.4228 0.4015 0.5684 0.0665 0.0770 0.0765 360 PHE A CB 2800 C CG . PHE A 343 ? 0.4546 0.4352 0.5826 0.0587 0.0665 0.0718 360 PHE A CG 2801 C CD1 . PHE A 343 ? 0.4591 0.4376 0.5835 0.0562 0.0603 0.0738 360 PHE A CD1 2802 C CD2 . PHE A 343 ? 0.3684 0.3521 0.4838 0.0541 0.0638 0.0655 360 PHE A CD2 2803 C CE1 . PHE A 343 ? 0.4727 0.4528 0.5822 0.0495 0.0520 0.0693 360 PHE A CE1 2804 C CE2 . PHE A 343 ? 0.4026 0.3876 0.5035 0.0476 0.0549 0.0613 360 PHE A CE2 2805 C CZ . PHE A 343 ? 0.4956 0.4791 0.5940 0.0454 0.0492 0.0629 360 PHE A CZ 2806 N N . THR A 344 ? 0.6245 0.5684 0.7871 0.0809 0.1078 0.0712 361 THR A N 2807 C CA . THR A 344 ? 0.7245 0.6623 0.9051 0.0900 0.1209 0.0747 361 THR A CA 2808 C C . THR A 344 ? 0.7066 0.6465 0.9066 0.0949 0.1187 0.0871 361 THR A C 2809 O O . THR A 344 ? 0.5943 0.5369 0.7897 0.0907 0.1085 0.0909 361 THR A O 2810 C CB . THR A 344 ? 0.7595 0.6745 0.9273 0.0905 0.1337 0.0607 361 THR A CB 2811 O OG1 . THR A 344 ? 0.8650 0.7752 1.0491 0.0998 0.1481 0.0631 361 THR A OG1 2812 C CG2 . THR A 344 ? 0.6549 0.5534 0.8161 0.0872 0.1324 0.0557 361 THR A CG2 2813 N N . GLY A 345 ? 0.7261 0.6652 0.9481 0.1042 0.1286 0.0941 362 GLY A N 2814 C CA . GLY A 345 ? 0.7405 0.6820 0.9831 0.1103 0.1272 0.1078 362 GLY A CA 2815 C C . GLY A 345 ? 0.6769 0.6432 0.9384 0.1135 0.1176 0.1231 362 GLY A C 2816 O O . GLY A 345 ? 0.7875 0.7682 1.0520 0.1124 0.1154 0.1233 362 GLY A O 2817 N N . SER A 346 ? 0.6776 0.6487 0.9518 0.1171 0.1116 0.1362 363 SER A N 2818 C CA . SER A 346 ? 0.7011 0.6953 0.9957 0.1213 0.1022 0.1519 363 SER A CA 2819 C C . SER A 346 ? 0.6396 0.6453 0.9224 0.1151 0.0850 0.1578 363 SER A C 2820 O O . SER A 346 ? 0.6201 0.6405 0.9165 0.1188 0.0761 0.1720 363 SER A O 2821 C CB . SER A 346 ? 0.7222 0.7142 1.0438 0.1326 0.1096 0.1647 363 SER A CB 2822 O OG . SER A 346 ? 0.8272 0.8100 1.1614 0.1391 0.1262 0.1597 363 SER A OG 2823 N N . VAL A 347 ? 0.6013 0.6007 0.8583 0.1059 0.0805 0.1467 364 VAL A N 2824 C CA . VAL A 347 ? 0.4647 0.4720 0.7076 0.0999 0.0664 0.1503 364 VAL A CA 2825 C C . VAL A 347 ? 0.4672 0.4967 0.7117 0.0965 0.0541 0.1533 364 VAL A C 2826 O O . VAL A 347 ? 0.4053 0.4399 0.6523 0.0949 0.0568 0.1471 364 VAL A O 2827 C CB . VAL A 347 ? 0.5603 0.5529 0.7779 0.0917 0.0671 0.1372 364 VAL A CB 2828 C CG1 . VAL A 347 ? 0.4451 0.4450 0.6479 0.0859 0.0543 0.1405 364 VAL A CG1 2829 C CG2 . VAL A 347 ? 0.4830 0.4534 0.7015 0.0943 0.0789 0.1337 364 VAL A CG2 2830 N N . ILE A 348 ? 0.3557 0.3982 0.5997 0.0958 0.0412 0.1634 365 ILE A N 2831 C CA . ILE A 348 ? 0.3067 0.3681 0.5475 0.0906 0.0276 0.1643 365 ILE A CA 2832 C C . ILE A 348 ? 0.2958 0.3526 0.5092 0.0821 0.0206 0.1566 365 ILE A C 2833 O O . ILE A 348 ? 0.2837 0.3322 0.4868 0.0822 0.0202 0.1595 365 ILE A O 2834 C CB . ILE A 348 ? 0.3211 0.4006 0.5769 0.0948 0.0162 0.1799 365 ILE A CB 2835 C CG1 . ILE A 348 ? 0.4104 0.4952 0.6970 0.1047 0.0232 0.1900 365 ILE A CG1 2836 C CG2 . ILE A 348 ? 0.3175 0.4156 0.5698 0.0883 0.0019 0.1786 365 ILE A CG2 2837 C CD1 . ILE A 348 ? 0.5581 0.6596 0.8605 0.1101 0.0120 0.2070 365 ILE A CD1 2838 N N . TYR A 349 ? 0.2556 0.3177 0.4587 0.0752 0.0159 0.1475 366 TYR A N 2839 C CA . TYR A 349 ? 0.2318 0.2892 0.4105 0.0675 0.0107 0.1390 366 TYR A CA 2840 C C . TYR A 349 ? 0.2646 0.3372 0.4365 0.0625 -0.0036 0.1406 366 TYR A C 2841 O O . TYR A 349 ? 0.2314 0.3191 0.4176 0.0632 -0.0102 0.1456 366 TYR A O 2842 C CB . TYR A 349 ? 0.2455 0.2930 0.4144 0.0631 0.0179 0.1253 366 TYR A CB 2843 C CG . TYR A 349 ? 0.2761 0.3062 0.4454 0.0661 0.0312 0.1202 366 TYR A CG 2844 C CD1 . TYR A 349 ? 0.2792 0.2951 0.4333 0.0630 0.0342 0.1139 366 TYR A CD1 2845 C CD2 . TYR A 349 ? 0.2732 0.3011 0.4587 0.0718 0.0411 0.1212 366 TYR A CD2 2846 C CE1 . TYR A 349 ? 0.3072 0.3066 0.4615 0.0648 0.0455 0.1081 366 TYR A CE1 2847 C CE2 . TYR A 349 ? 0.3529 0.3633 0.5370 0.0744 0.0534 0.1151 366 TYR A CE2 2848 C CZ . TYR A 349 ? 0.3387 0.3349 0.5069 0.0705 0.0550 0.1082 366 TYR A CZ 2849 O OH . TYR A 349 ? 0.4323 0.4107 0.5990 0.0721 0.0663 0.1011 366 TYR A OH 2850 N N . GLU A 350 ? 0.2517 0.3199 0.4023 0.0573 -0.0081 0.1357 367 GLU A N 2851 C CA . GLU A 350 ? 0.2239 0.3020 0.3631 0.0513 -0.0198 0.1327 367 GLU A CA 2852 C C . GLU A 350 ? 0.2468 0.3153 0.3682 0.0450 -0.0170 0.1199 367 GLU A C 2853 O O . GLU A 350 ? 0.2134 0.2689 0.3264 0.0450 -0.0095 0.1159 367 GLU A O 2854 C CB . GLU A 350 ? 0.2978 0.3807 0.4274 0.0521 -0.0284 0.1410 367 GLU A CB 2855 C CG . GLU A 350 ? 0.3204 0.4111 0.4338 0.0460 -0.0401 0.1371 367 GLU A CG 2856 C CD . GLU A 350 ? 0.2410 0.3383 0.3462 0.0481 -0.0488 0.1473 367 GLU A CD 2857 O OE1 . GLU A 350 ? 0.3261 0.4357 0.4459 0.0519 -0.0556 0.1573 367 GLU A OE1 2858 O OE2 . GLU A 350 ? 0.3273 0.4179 0.4123 0.0464 -0.0485 0.1460 367 GLU A OE2 2859 N N . ALA A 351 ? 0.2216 0.2967 0.3389 0.0397 -0.0232 0.1137 368 ALA A N 2860 C CA . ALA A 351 ? 0.2100 0.2771 0.3121 0.0342 -0.0213 0.1025 368 ALA A CA 2861 C C . ALA A 351 ? 0.2242 0.2969 0.3129 0.0292 -0.0314 0.0997 368 ALA A C 2862 O O . ALA A 351 ? 0.2310 0.3155 0.3250 0.0281 -0.0406 0.1032 368 ALA A O 2863 C CB . ALA A 351 ? 0.2078 0.2743 0.3177 0.0328 -0.0166 0.0967 368 ALA A CB 2864 N N . GLN A 352 ? 0.1931 0.2574 0.2648 0.0262 -0.0297 0.0930 369 GLN A N 2865 C CA . GLN A 352 ? 0.1764 0.2430 0.2342 0.0212 -0.0368 0.0873 369 GLN A CA 2866 C C . GLN A 352 ? 0.1707 0.2316 0.2253 0.0174 -0.0335 0.0775 369 GLN A C 2867 O O . GLN A 352 ? 0.2198 0.2716 0.2714 0.0179 -0.0260 0.0737 369 GLN A O 2868 C CB . GLN A 352 ? 0.2208 0.2824 0.2617 0.0211 -0.0366 0.0878 369 GLN A CB 2869 C CG . GLN A 352 ? 0.2790 0.3433 0.3047 0.0166 -0.0438 0.0821 369 GLN A CG 2870 C CD . GLN A 352 ? 0.3894 0.4503 0.3976 0.0171 -0.0434 0.0839 369 GLN A CD 2871 O OE1 . GLN A 352 ? 0.4006 0.4598 0.4088 0.0209 -0.0399 0.0920 369 GLN A OE1 2872 N NE2 . GLN A 352 ? 0.4329 0.4924 0.4264 0.0135 -0.0461 0.0767 369 GLN A NE2 2873 N N . ASP A 353 ? 0.1883 0.2546 0.2441 0.0135 -0.0396 0.0736 370 ASP A N 2874 C CA . ASP A 353 ? 0.1973 0.2583 0.2492 0.0099 -0.0375 0.0652 370 ASP A CA 2875 C C . ASP A 353 ? 0.2051 0.2595 0.2396 0.0081 -0.0373 0.0598 370 ASP A C 2876 O O . ASP A 353 ? 0.2341 0.2911 0.2589 0.0066 -0.0430 0.0593 370 ASP A O 2877 C CB . ASP A 353 ? 0.2008 0.2690 0.2600 0.0060 -0.0442 0.0634 370 ASP A CB 2878 C CG . ASP A 353 ? 0.2369 0.2992 0.2945 0.0027 -0.0414 0.0563 370 ASP A CG 2879 O OD1 . ASP A 353 ? 0.2024 0.2577 0.2471 0.0015 -0.0403 0.0506 370 ASP A OD1 2880 O OD2 . ASP A 353 ? 0.2441 0.3095 0.3144 0.0017 -0.0404 0.0570 370 ASP A OD2 2881 N N . VAL A 354 ? 0.1718 0.2180 0.2027 0.0085 -0.0305 0.0558 371 VAL A N 2882 C CA . VAL A 354 ? 0.1672 0.2077 0.1851 0.0076 -0.0286 0.0517 371 VAL A CA 2883 C C . VAL A 354 ? 0.2301 0.2705 0.2398 0.0041 -0.0329 0.0454 371 VAL A C 2884 O O . VAL A 354 ? 0.2334 0.2726 0.2316 0.0036 -0.0338 0.0437 371 VAL A O 2885 C CB . VAL A 354 ? 0.1919 0.2251 0.2107 0.0085 -0.0214 0.0490 371 VAL A CB 2886 C CG1 . VAL A 354 ? 0.2129 0.2418 0.2221 0.0074 -0.0194 0.0448 371 VAL A CG1 2887 C CG2 . VAL A 354 ? 0.2023 0.2337 0.2277 0.0118 -0.0169 0.0544 371 VAL A CG2 2888 N N . TYR A 355 ? 0.2203 0.2617 0.2363 0.0018 -0.0352 0.0422 372 TYR A N 2889 C CA . TYR A 355 ? 0.2105 0.2500 0.2204 -0.0015 -0.0387 0.0356 372 TYR A CA 2890 C C . TYR A 355 ? 0.2898 0.3354 0.2980 -0.0043 -0.0472 0.0355 372 TYR A C 2891 O O . TYR A 355 ? 0.2737 0.3170 0.2703 -0.0063 -0.0501 0.0302 372 TYR A O 2892 C CB . TYR A 355 ? 0.2086 0.2445 0.2254 -0.0029 -0.0364 0.0322 372 TYR A CB 2893 C CG . TYR A 355 ? 0.2156 0.2450 0.2290 -0.0012 -0.0304 0.0298 372 TYR A CG 2894 C CD1 . TYR A 355 ? 0.1841 0.2096 0.1882 -0.0011 -0.0289 0.0257 372 TYR A CD1 2895 C CD2 . TYR A 355 ? 0.1661 0.1937 0.1855 0.0003 -0.0261 0.0316 372 TYR A CD2 2896 C CE1 . TYR A 355 ? 0.2075 0.2288 0.2112 0.0003 -0.0243 0.0240 372 TYR A CE1 2897 C CE2 . TYR A 355 ? 0.1740 0.1966 0.1902 0.0014 -0.0223 0.0293 372 TYR A CE2 2898 C CZ . TYR A 355 ? 0.1751 0.1953 0.1848 0.0013 -0.0218 0.0257 372 TYR A CZ 2899 O OH . TYR A 355 ? 0.1868 0.2039 0.1960 0.0023 -0.0189 0.0238 372 TYR A OH 2900 N N . SER A 356 ? 0.2457 0.2990 0.2653 -0.0043 -0.0512 0.0408 373 SER A N 2901 C CA . SER A 356 ? 0.2656 0.3261 0.2848 -0.0076 -0.0611 0.0405 373 SER A CA 2902 C C . SER A 356 ? 0.3117 0.3772 0.3216 -0.0055 -0.0654 0.0456 373 SER A C 2903 O O . SER A 356 ? 0.3409 0.4101 0.3421 -0.0083 -0.0738 0.0435 373 SER A O 2904 C CB . SER A 356 ? 0.2892 0.3577 0.3278 -0.0093 -0.0646 0.0440 373 SER A CB 2905 O OG . SER A 356 ? 0.2764 0.3518 0.3251 -0.0052 -0.0635 0.0529 373 SER A OG 2906 N N . GLY A 357 ? 0.2683 0.3333 0.2794 -0.0007 -0.0599 0.0524 374 GLY A N 2907 C CA . GLY A 357 ? 0.2837 0.3531 0.2876 0.0021 -0.0629 0.0595 374 GLY A CA 2908 C C . GLY A 357 ? 0.3182 0.3989 0.3364 0.0035 -0.0695 0.0679 374 GLY A C 2909 O O . GLY A 357 ? 0.3689 0.4541 0.3837 0.0068 -0.0723 0.0759 374 GLY A O 2910 N N . ASP A 358 ? 0.3155 0.4013 0.3510 0.0014 -0.0715 0.0671 375 ASP A N 2911 C CA . ASP A 358 ? 0.2667 0.3649 0.3199 0.0027 -0.0776 0.0752 375 ASP A CA 2912 C C . ASP A 358 ? 0.3193 0.4176 0.3831 0.0094 -0.0703 0.0845 375 ASP A C 2913 O O . ASP A 358 ? 0.2446 0.3337 0.3086 0.0117 -0.0599 0.0830 375 ASP A O 2914 C CB . ASP A 358 ? 0.3213 0.4242 0.3926 -0.0011 -0.0793 0.0722 375 ASP A CB 2915 C CG . ASP A 358 ? 0.4484 0.5523 0.5132 -0.0082 -0.0882 0.0637 375 ASP A CG 2916 O OD1 . ASP A 358 ? 0.4565 0.5592 0.5026 -0.0099 -0.0947 0.0604 375 ASP A OD1 2917 O OD2 . ASP A 358 ? 0.4608 0.5657 0.5388 -0.0121 -0.0881 0.0602 375 ASP A OD2 2918 N N . ILE A 359 ? 0.2843 0.3931 0.3575 0.0125 -0.0763 0.0941 376 ILE A N 2919 C CA . ILE A 359 ? 0.2454 0.3540 0.3301 0.0194 -0.0695 0.1036 376 ILE A CA 2920 C C . ILE A 359 ? 0.2972 0.4157 0.4088 0.0215 -0.0692 0.1091 376 ILE A C 2921 O O . ILE A 359 ? 0.3213 0.4530 0.4439 0.0192 -0.0795 0.1118 376 ILE A O 2922 C CB . ILE A 359 ? 0.3384 0.4502 0.4136 0.0232 -0.0745 0.1127 376 ILE A CB 2923 C CG1 . ILE A 359 ? 0.4063 0.5059 0.4571 0.0225 -0.0696 0.1084 376 ILE A CG1 2924 C CG2 . ILE A 359 ? 0.3419 0.4552 0.4341 0.0306 -0.0689 0.1240 376 ILE A CG2 2925 C CD1 . ILE A 359 ? 0.6401 0.7431 0.6741 0.0236 -0.0768 0.1143 376 ILE A CD1 2926 N N . ILE A 360 ? 0.2261 0.3379 0.3482 0.0255 -0.0572 0.1100 377 ILE A N 2927 C CA . ILE A 360 ? 0.2676 0.3869 0.4152 0.0289 -0.0535 0.1157 377 ILE A CA 2928 C C . ILE A 360 ? 0.3550 0.4729 0.5110 0.0370 -0.0480 0.1256 377 ILE A C 2929 O O . ILE A 360 ? 0.2911 0.3958 0.4396 0.0399 -0.0380 0.1239 377 ILE A O 2930 C CB . ILE A 360 ? 0.2911 0.4031 0.4435 0.0276 -0.0429 0.1087 377 ILE A CB 2931 C CG1 . ILE A 360 ? 0.3364 0.4467 0.4785 0.0200 -0.0472 0.0992 377 ILE A CG1 2932 C CG2 . ILE A 360 ? 0.4541 0.5752 0.6333 0.0310 -0.0387 0.1147 377 ILE A CG2 2933 C CD1 . ILE A 360 ? 0.4013 0.4973 0.5197 0.0179 -0.0434 0.0906 377 ILE A CD1 2934 N N . SER A 361 ? 0.2995 0.4312 0.4722 0.0406 -0.0549 0.1362 378 SER A N 2935 C CA . SER A 361 ? 0.3718 0.5022 0.5518 0.0486 -0.0511 0.1470 378 SER A CA 2936 C C . SER A 361 ? 0.4497 0.5871 0.6594 0.0547 -0.0449 0.1543 378 SER A C 2937 O O . SER A 361 ? 0.4601 0.6082 0.6865 0.0525 -0.0469 0.1534 378 SER A O 2938 C CB . SER A 361 ? 0.4522 0.5920 0.6247 0.0493 -0.0644 0.1555 378 SER A CB 2939 O OG . SER A 361 ? 0.4938 0.6268 0.6642 0.0561 -0.0593 0.1645 378 SER A OG 2940 N N . GLY A 362 ? 0.3132 0.4434 0.5300 0.0625 -0.0361 0.1612 379 GLY A N 2941 C CA . GLY A 362 ? 0.3347 0.4705 0.5801 0.0699 -0.0289 0.1692 379 GLY A CA 2942 C C . GLY A 362 ? 0.3367 0.4645 0.5896 0.0701 -0.0149 0.1612 379 GLY A C 2943 O O . GLY A 362 ? 0.3540 0.4915 0.6315 0.0734 -0.0111 0.1655 379 GLY A O 2944 N N . LEU A 363 ? 0.2722 0.3830 0.5041 0.0667 -0.0071 0.1500 380 LEU A N 2945 C CA . LEU A 363 ? 0.2441 0.3457 0.4782 0.0669 0.0061 0.1419 380 LEU A CA 2946 C C . LEU A 363 ? 0.3212 0.4102 0.5630 0.0748 0.0202 0.1439 380 LEU A C 2947 O O . LEU A 363 ? 0.3431 0.4176 0.5711 0.0756 0.0240 0.1413 380 LEU A O 2948 C CB . LEU A 363 ? 0.2533 0.3428 0.4615 0.0598 0.0072 0.1291 380 LEU A CB 2949 C CG . LEU A 363 ? 0.3000 0.3983 0.4997 0.0518 -0.0039 0.1247 380 LEU A CG 2950 C CD1 . LEU A 363 ? 0.2642 0.3495 0.4381 0.0464 -0.0033 0.1140 380 LEU A CD1 2951 C CD2 . LEU A 363 ? 0.3304 0.4381 0.5468 0.0503 -0.0017 0.1243 380 LEU A CD2 2952 N N . ARG A 364 ? 0.2816 0.3755 0.5463 0.0804 0.0287 0.1480 381 ARG A N 2953 C CA . ARG A 364 ? 0.3184 0.3980 0.5893 0.0877 0.0445 0.1471 381 ARG A CA 2954 C C . ARG A 364 ? 0.2939 0.3617 0.5518 0.0847 0.0554 0.1345 381 ARG A C 2955 O O . ARG A 364 ? 0.2709 0.3443 0.5209 0.0782 0.0509 0.1293 381 ARG A O 2956 C CB . ARG A 364 ? 0.3641 0.4549 0.6674 0.0965 0.0494 0.1586 381 ARG A CB 2957 C CG . ARG A 364 ? 0.4231 0.5304 0.7414 0.0992 0.0359 0.1727 381 ARG A CG 2958 C CD . ARG A 364 ? 0.5812 0.7010 0.9346 0.1083 0.0408 0.1845 381 ARG A CD 2959 N NE . ARG A 364 ? 0.8183 0.9238 1.1793 0.1176 0.0530 0.1886 381 ARG A NE 2960 C CZ . ARG A 364 ? 0.8239 0.9297 1.1908 0.1229 0.0481 0.1997 381 ARG A CZ 2961 N NH1 . ARG A 364 ? 0.8679 0.9883 1.2322 0.1202 0.0306 0.2082 381 ARG A NH1 2962 N NH2 . ARG A 364 ? 0.9447 1.0351 1.3195 0.1312 0.0611 0.2024 381 ARG A NH2 2963 N N . ASP A 365 ? 0.2883 0.3392 0.5433 0.0892 0.0696 0.1294 382 ASP A N 2964 C CA . ASP A 365 ? 0.3097 0.3491 0.5500 0.0867 0.0798 0.1174 382 ASP A CA 2965 C C . ASP A 365 ? 0.2914 0.3434 0.5445 0.0866 0.0834 0.1190 382 ASP A C 2966 O O . ASP A 365 ? 0.3179 0.3674 0.5560 0.0813 0.0843 0.1113 382 ASP A O 2967 C CB . ASP A 365 ? 0.3683 0.3882 0.6061 0.0925 0.0952 0.1120 382 ASP A CB 2968 C CG . ASP A 365 ? 0.5039 0.5071 0.7217 0.0894 0.0934 0.1052 382 ASP A CG 2969 O OD1 . ASP A 365 ? 0.5363 0.5422 0.7392 0.0825 0.0818 0.1033 382 ASP A OD1 2970 O OD2 . ASP A 365 ? 0.6164 0.6033 0.8344 0.0938 0.1043 0.1016 382 ASP A OD2 2971 N N . GLU A 366 ? 0.3027 0.3691 0.5851 0.0924 0.0849 0.1298 383 GLU A N 2972 C CA . GLU A 366 ? 0.3028 0.3820 0.6029 0.0930 0.0900 0.1328 383 GLU A CA 2973 C C . GLU A 366 ? 0.3010 0.3989 0.6064 0.0856 0.0749 0.1364 383 GLU A C 2974 O O . GLU A 366 ? 0.2990 0.4082 0.6193 0.0844 0.0778 0.1388 383 GLU A O 2975 C CB . GLU A 366 ? 0.3359 0.4241 0.6696 0.1029 0.0988 0.1434 383 GLU A CB 2976 C CG . GLU A 366 ? 0.5927 0.6647 0.9278 0.1114 0.1102 0.1432 383 GLU A CG 2977 C CD . GLU A 366 ? 0.6415 0.7139 0.9780 0.1128 0.0989 0.1501 383 GLU A CD 2978 O OE1 . GLU A 366 ? 0.7230 0.8145 1.0795 0.1138 0.0872 0.1620 383 GLU A OE1 2979 O OE2 . GLU A 366 ? 0.4953 0.5488 0.8125 0.1125 0.1017 0.1437 383 GLU A OE2 2980 N N . THR A 367 ? 0.2857 0.3868 0.5802 0.0806 0.0594 0.1371 384 THR A N 2981 C CA . THR A 367 ? 0.2172 0.3350 0.5164 0.0736 0.0444 0.1398 384 THR A CA 2982 C C . THR A 367 ? 0.2451 0.3577 0.5263 0.0659 0.0452 0.1302 384 THR A C 2983 O O . THR A 367 ? 0.2780 0.3757 0.5323 0.0627 0.0459 0.1212 384 THR A O 2984 C CB . THR A 367 ? 0.2453 0.3665 0.5344 0.0706 0.0283 0.1425 384 THR A CB 2985 O OG1 . THR A 367 ? 0.2668 0.3920 0.5719 0.0784 0.0280 0.1527 384 THR A OG1 2986 C CG2 . THR A 367 ? 0.2906 0.4290 0.5852 0.0633 0.0128 0.1445 384 THR A CG2 2987 N N . ASN A 368 ? 0.2265 0.3517 0.5244 0.0632 0.0454 0.1328 385 ASN A N 2988 C CA . ASN A 368 ? 0.2413 0.3631 0.5252 0.0558 0.0450 0.1257 385 ASN A CA 2989 C C . ASN A 368 ? 0.3019 0.4270 0.5724 0.0478 0.0282 0.1225 385 ASN A C 2990 O O . ASN A 368 ? 0.3516 0.4906 0.6350 0.0461 0.0156 0.1281 385 ASN A O 2991 C CB . ASN A 368 ? 0.3057 0.4406 0.6146 0.0550 0.0504 0.1306 385 ASN A CB 2992 C CG . ASN A 368 ? 0.3896 0.5183 0.7058 0.0623 0.0700 0.1316 385 ASN A CG 2993 O OD1 . ASN A 368 ? 0.3756 0.4868 0.6707 0.0657 0.0799 0.1250 385 ASN A OD1 2994 N ND2 . ASN A 368 ? 0.5270 0.6704 0.8740 0.0645 0.0758 0.1395 385 ASN A ND2 2995 N N . PHE A 369 ? 0.2446 0.3569 0.4888 0.0431 0.0280 0.1134 386 PHE A N 2996 C CA . PHE A 369 ? 0.2451 0.3597 0.4774 0.0354 0.0141 0.1096 386 PHE A CA 2997 C C . PHE A 369 ? 0.2336 0.3419 0.4547 0.0300 0.0171 0.1032 386 PHE A C 2998 O O . PHE A 369 ? 0.2492 0.3488 0.4647 0.0324 0.0295 0.1010 386 PHE A O 2999 C CB . PHE A 369 ? 0.2949 0.4007 0.5058 0.0355 0.0078 0.1060 386 PHE A CB 3000 C CG . PHE A 369 ? 0.1920 0.2799 0.3809 0.0371 0.0169 0.0986 386 PHE A CG 3001 C CD1 . PHE A 369 ? 0.2309 0.3103 0.4012 0.0322 0.0170 0.0908 386 PHE A CD1 3002 C CD2 . PHE A 369 ? 0.2200 0.2996 0.4074 0.0434 0.0248 0.0996 386 PHE A CD2 3003 C CE1 . PHE A 369 ? 0.2864 0.3509 0.4372 0.0334 0.0238 0.0841 386 PHE A CE1 3004 C CE2 . PHE A 369 ? 0.2908 0.3542 0.4585 0.0439 0.0320 0.0920 386 PHE A CE2 3005 C CZ . PHE A 369 ? 0.3146 0.3713 0.4641 0.0389 0.0310 0.0844 386 PHE A CZ 3006 N N . THR A 370 ? 0.2516 0.3644 0.4696 0.0229 0.0057 0.1007 387 THR A N 3007 C CA . THR A 370 ? 0.2396 0.3461 0.4472 0.0174 0.0066 0.0952 387 THR A CA 3008 C C . THR A 370 ? 0.2528 0.3522 0.4383 0.0131 -0.0030 0.0883 387 THR A C 3009 O O . THR A 370 ? 0.2484 0.3541 0.4344 0.0111 -0.0143 0.0887 387 THR A O 3010 C CB . THR A 370 ? 0.2648 0.3835 0.4946 0.0122 0.0032 0.0987 387 THR A CB 3011 O OG1 . THR A 370 ? 0.2861 0.4132 0.5395 0.0164 0.0130 0.1061 387 THR A OG1 3012 C CG2 . THR A 370 ? 0.2488 0.3593 0.4682 0.0069 0.0053 0.0939 387 THR A CG2 3013 N N . VAL A 371 ? 0.2172 0.3036 0.3830 0.0124 0.0015 0.0822 388 VAL A N 3014 C CA . VAL A 371 ? 0.2367 0.3168 0.3844 0.0081 -0.0063 0.0757 388 VAL A CA 3015 C C . VAL A 371 ? 0.1903 0.2662 0.3357 0.0037 -0.0046 0.0728 388 VAL A C 3016 O O . VAL A 371 ? 0.2317 0.3043 0.3794 0.0053 0.0048 0.0747 388 VAL A O 3017 C CB . VAL A 371 ? 0.2679 0.3369 0.3948 0.0111 -0.0041 0.0712 388 VAL A CB 3018 C CG1 . VAL A 371 ? 0.2807 0.3531 0.4102 0.0149 -0.0065 0.0747 388 VAL A CG1 3019 C CG2 . VAL A 371 ? 0.2440 0.3031 0.3621 0.0142 0.0069 0.0693 388 VAL A CG2 3020 N N . ILE A 372 ? 0.2074 0.2830 0.3485 -0.0016 -0.0136 0.0687 389 ILE A N 3021 C CA . ILE A 372 ? 0.1976 0.2687 0.3386 -0.0060 -0.0129 0.0664 389 ILE A CA 3022 C C . ILE A 372 ? 0.2004 0.2595 0.3195 -0.0055 -0.0127 0.0605 389 ILE A C 3023 O O . ILE A 372 ? 0.2193 0.2766 0.3281 -0.0067 -0.0196 0.0560 389 ILE A O 3024 C CB . ILE A 372 ? 0.2319 0.3097 0.3844 -0.0127 -0.0230 0.0650 389 ILE A CB 3025 C CG1 . ILE A 372 ? 0.3359 0.4281 0.5133 -0.0136 -0.0248 0.0714 389 ILE A CG1 3026 C CG2 . ILE A 372 ? 0.2459 0.3163 0.3979 -0.0171 -0.0213 0.0623 389 ILE A CG2 3027 C CD1 . ILE A 372 ? 0.4240 0.5243 0.6132 -0.0208 -0.0368 0.0694 389 ILE A CD1 3028 N N . ILE A 373 ? 0.2025 0.2538 0.3142 -0.0035 -0.0046 0.0608 390 ILE A N 3029 C CA . ILE A 373 ? 0.1995 0.2407 0.2921 -0.0022 -0.0041 0.0562 390 ILE A CA 3030 C C . ILE A 373 ? 0.1959 0.2315 0.2877 -0.0051 -0.0034 0.0557 390 ILE A C 3031 O O . ILE A 373 ? 0.2114 0.2469 0.3105 -0.0052 0.0027 0.0603 390 ILE A O 3032 C CB . ILE A 373 ? 0.1745 0.2104 0.2564 0.0028 0.0038 0.0567 390 ILE A CB 3033 C CG1 . ILE A 373 ? 0.1890 0.2295 0.2763 0.0062 0.0062 0.0589 390 ILE A CG1 3034 C CG2 . ILE A 373 ? 0.1620 0.1898 0.2258 0.0037 0.0017 0.0515 390 ILE A CG2 3035 C CD1 . ILE A 373 ? 0.1878 0.2230 0.2682 0.0107 0.0157 0.0594 390 ILE A CD1 3036 N N . ASN A 374 ? 0.1785 0.2089 0.2615 -0.0069 -0.0088 0.0506 391 ASN A N 3037 C CA . ASN A 374 ? 0.2030 0.2269 0.2855 -0.0090 -0.0082 0.0502 391 ASN A CA 3038 C C . ASN A 374 ? 0.1831 0.1997 0.2526 -0.0052 -0.0031 0.0514 391 ASN A C 3039 O O . ASN A 374 ? 0.1947 0.2102 0.2530 -0.0018 -0.0022 0.0498 391 ASN A O 3040 C CB . ASN A 374 ? 0.1935 0.2146 0.2735 -0.0123 -0.0156 0.0440 391 ASN A CB 3041 C CG . ASN A 374 ? 0.2561 0.2839 0.3480 -0.0171 -0.0219 0.0425 391 ASN A CG 3042 O OD1 . ASN A 374 ? 0.2382 0.2720 0.3451 -0.0193 -0.0208 0.0468 391 ASN A OD1 3043 N ND2 . ASN A 374 ? 0.2241 0.2509 0.3094 -0.0189 -0.0285 0.0363 391 ASN A ND2 3044 N N . PRO A 375 ? 0.1731 0.1844 0.2441 -0.0059 0.0000 0.0545 392 PRO A N 3045 C CA . PRO A 375 ? 0.1722 0.1773 0.2300 -0.0020 0.0041 0.0569 392 PRO A CA 3046 C C . PRO A 375 ? 0.2257 0.2273 0.2712 -0.0001 -0.0005 0.0518 392 PRO A C 3047 O O . PRO A 375 ? 0.2356 0.2358 0.2835 -0.0020 -0.0055 0.0476 392 PRO A O 3048 C CB . PRO A 375 ? 0.2557 0.2558 0.3197 -0.0037 0.0069 0.0617 392 PRO A CB 3049 C CG . PRO A 375 ? 0.2355 0.2396 0.3170 -0.0084 0.0064 0.0626 392 PRO A CG 3050 C CD . PRO A 375 ? 0.2097 0.2206 0.2953 -0.0103 0.0000 0.0569 392 PRO A CD 3051 N N . SER A 376 ? 0.2001 0.2003 0.2330 0.0034 0.0012 0.0519 393 SER A N 3052 C CA . SER A 376 ? 0.1976 0.1963 0.2210 0.0050 -0.0031 0.0474 393 SER A CA 3053 C C . SER A 376 ? 0.1901 0.1925 0.2165 0.0035 -0.0073 0.0420 393 SER A C 3054 O O . SER A 376 ? 0.2318 0.2332 0.2554 0.0037 -0.0109 0.0383 393 SER A O 3055 C CB . SER A 376 ? 0.2526 0.2464 0.2738 0.0059 -0.0053 0.0484 393 SER A CB 3056 O OG . SER A 376 ? 0.2617 0.2537 0.2926 0.0033 -0.0075 0.0468 393 SER A OG 3057 N N . GLY A 377 ? 0.1790 0.1860 0.2115 0.0024 -0.0062 0.0424 394 GLY A N 3058 C CA . GLY A 377 ? 0.1944 0.2054 0.2296 0.0011 -0.0100 0.0390 394 GLY A CA 3059 C C . GLY A 377 ? 0.1833 0.1978 0.2185 0.0028 -0.0078 0.0399 394 GLY A C 3060 O O . GLY A 377 ? 0.1870 0.2007 0.2206 0.0049 -0.0026 0.0424 394 GLY A O 3061 N N . VAL A 378 ? 0.1638 0.1818 0.2005 0.0022 -0.0111 0.0381 395 VAL A N 3062 C CA . VAL A 378 ? 0.1771 0.1979 0.2152 0.0041 -0.0091 0.0396 395 VAL A CA 3063 C C . VAL A 378 ? 0.1397 0.1673 0.1867 0.0029 -0.0127 0.0416 395 VAL A C 3064 O O . VAL A 378 ? 0.1823 0.2121 0.2314 0.0000 -0.0179 0.0402 395 VAL A O 3065 C CB . VAL A 378 ? 0.1883 0.2062 0.2182 0.0054 -0.0095 0.0365 395 VAL A CB 3066 C CG1 . VAL A 378 ? 0.1809 0.1933 0.2026 0.0066 -0.0071 0.0344 395 VAL A CG1 3067 C CG2 . VAL A 378 ? 0.1973 0.2161 0.2245 0.0038 -0.0143 0.0337 395 VAL A CG2 3068 N N . VAL A 379 ? 0.1735 0.2041 0.2255 0.0053 -0.0099 0.0449 396 VAL A N 3069 C CA . VAL A 379 ? 0.1564 0.1933 0.2141 0.0056 -0.0136 0.0476 396 VAL A CA 3070 C C . VAL A 379 ? 0.1745 0.2078 0.2268 0.0087 -0.0105 0.0476 396 VAL A C 3071 O O . VAL A 379 ? 0.2014 0.2298 0.2520 0.0110 -0.0044 0.0472 396 VAL A O 3072 C CB . VAL A 379 ? 0.1700 0.2149 0.2434 0.0060 -0.0130 0.0531 396 VAL A CB 3073 C CG1 . VAL A 379 ? 0.1811 0.2326 0.2600 0.0075 -0.0169 0.0570 396 VAL A CG1 3074 C CG2 . VAL A 379 ? 0.1821 0.2308 0.2628 0.0017 -0.0170 0.0528 396 VAL A CG2 3075 N N . MET A 380 ? 0.1867 0.2212 0.2350 0.0085 -0.0143 0.0477 397 MET A N 3076 C CA . MET A 380 ? 0.1628 0.1932 0.2073 0.0109 -0.0111 0.0483 397 MET A CA 3077 C C . MET A 380 ? 0.1750 0.2107 0.2250 0.0128 -0.0134 0.0541 397 MET A C 3078 O O . MET A 380 ? 0.1955 0.2368 0.2442 0.0112 -0.0196 0.0554 397 MET A O 3079 C CB . MET A 380 ? 0.2100 0.2359 0.2439 0.0093 -0.0121 0.0437 397 MET A CB 3080 C CG . MET A 380 ? 0.1904 0.2114 0.2221 0.0110 -0.0082 0.0440 397 MET A CG 3081 S SD . MET A 380 ? 0.2090 0.2266 0.2319 0.0088 -0.0090 0.0392 397 MET A SD 3082 C CE . MET A 380 ? 0.2330 0.2439 0.2574 0.0099 -0.0035 0.0390 397 MET A CE 3083 N N . TRP A 381 ? 0.1835 0.2168 0.2387 0.0163 -0.0082 0.0574 398 TRP A N 3084 C CA . TRP A 381 ? 0.1703 0.2078 0.2320 0.0193 -0.0094 0.0646 398 TRP A CA 3085 C C . TRP A 381 ? 0.1843 0.2143 0.2412 0.0209 -0.0055 0.0652 398 TRP A C 3086 O O . TRP A 381 ? 0.2264 0.2479 0.2809 0.0211 0.0003 0.0610 398 TRP A O 3087 C CB . TRP A 381 ? 0.1864 0.2271 0.2628 0.0230 -0.0055 0.0695 398 TRP A CB 3088 C CG . TRP A 381 ? 0.1958 0.2469 0.2830 0.0219 -0.0097 0.0723 398 TRP A CG 3089 C CD1 . TRP A 381 ? 0.2173 0.2735 0.3019 0.0174 -0.0167 0.0697 398 TRP A CD1 3090 C CD2 . TRP A 381 ? 0.1828 0.2399 0.2871 0.0253 -0.0065 0.0779 398 TRP A CD2 3091 N NE1 . TRP A 381 ? 0.2222 0.2878 0.3220 0.0172 -0.0187 0.0735 398 TRP A NE1 3092 C CE2 . TRP A 381 ? 0.1916 0.2587 0.3042 0.0221 -0.0123 0.0790 398 TRP A CE2 3093 C CE3 . TRP A 381 ? 0.2370 0.2918 0.3517 0.0308 0.0012 0.0822 398 TRP A CE3 3094 C CZ2 . TRP A 381 ? 0.2142 0.2906 0.3466 0.0241 -0.0109 0.0848 398 TRP A CZ2 3095 C CZ3 . TRP A 381 ? 0.2627 0.3263 0.3963 0.0336 0.0033 0.0879 398 TRP A CZ3 3096 C CH2 . TRP A 381 ? 0.2669 0.3419 0.4097 0.0301 -0.0028 0.0894 398 TRP A CH2 3097 N N . TYR A 382 ? 0.1914 0.2249 0.2469 0.0219 -0.0089 0.0708 399 TYR A N 3098 C CA . TYR A 382 ? 0.1892 0.2168 0.2440 0.0243 -0.0047 0.0747 399 TYR A CA 3099 C C . TYR A 382 ? 0.1916 0.2232 0.2594 0.0292 -0.0040 0.0837 399 TYR A C 3100 O O . TYR A 382 ? 0.2192 0.2605 0.2896 0.0301 -0.0107 0.0897 399 TYR A O 3101 C CB . TYR A 382 ? 0.1942 0.2232 0.2378 0.0226 -0.0084 0.0763 399 TYR A CB 3102 C CG . TYR A 382 ? 0.2031 0.2266 0.2468 0.0250 -0.0039 0.0821 399 TYR A CG 3103 C CD1 . TYR A 382 ? 0.2532 0.2667 0.2991 0.0245 0.0033 0.0787 399 TYR A CD1 3104 C CD2 . TYR A 382 ? 0.2201 0.2484 0.2616 0.0274 -0.0072 0.0914 399 TYR A CD2 3105 C CE1 . TYR A 382 ? 0.2629 0.2703 0.3108 0.0262 0.0081 0.0846 399 TYR A CE1 3106 C CE2 . TYR A 382 ? 0.2593 0.2819 0.3013 0.0298 -0.0022 0.0980 399 TYR A CE2 3107 C CZ . TYR A 382 ? 0.2893 0.3011 0.3355 0.0290 0.0058 0.0945 399 TYR A CZ 3108 O OH . TYR A 382 ? 0.3056 0.3107 0.3541 0.0309 0.0114 0.1013 399 TYR A OH 3109 N N . LEU A 383 ? 0.2073 0.2314 0.2834 0.0324 0.0037 0.0842 400 LEU A N 3110 C CA . LEU A 383 ? 0.2643 0.2909 0.3556 0.0379 0.0065 0.0919 400 LEU A CA 3111 C C . LEU A 383 ? 0.2282 0.2471 0.3233 0.0416 0.0116 0.0980 400 LEU A C 3112 O O . LEU A 383 ? 0.2380 0.2455 0.3280 0.0401 0.0172 0.0931 400 LEU A O 3113 C CB . LEU A 383 ? 0.2843 0.3065 0.3822 0.0391 0.0136 0.0865 400 LEU A CB 3114 C CG . LEU A 383 ? 0.3495 0.3734 0.4646 0.0450 0.0193 0.0921 400 LEU A CG 3115 C CD1 . LEU A 383 ? 0.3230 0.3618 0.4487 0.0453 0.0135 0.0968 400 LEU A CD1 3116 C CD2 . LEU A 383 ? 0.3389 0.3514 0.4532 0.0459 0.0294 0.0844 400 LEU A CD2 3117 N N . TYR A 384 ? 0.2267 0.2519 0.3320 0.0465 0.0095 0.1090 401 TYR A N 3118 C CA . TYR A 384 ? 0.2474 0.2648 0.3574 0.0506 0.0145 0.1166 401 TYR A CA 3119 C C . TYR A 384 ? 0.2397 0.2631 0.3678 0.0578 0.0149 0.1280 401 TYR A C 3120 O O . TYR A 384 ? 0.2361 0.2739 0.3703 0.0588 0.0072 0.1328 401 TYR A O 3121 C CB . TYR A 384 ? 0.2509 0.2692 0.3481 0.0486 0.0100 0.1210 401 TYR A CB 3122 C CG . TYR A 384 ? 0.2250 0.2574 0.3143 0.0468 -0.0011 0.1240 401 TYR A CG 3123 C CD1 . TYR A 384 ? 0.2136 0.2560 0.3080 0.0510 -0.0075 0.1360 401 TYR A CD1 3124 C CD2 . TYR A 384 ? 0.2832 0.3190 0.3606 0.0410 -0.0058 0.1146 401 TYR A CD2 3125 C CE1 . TYR A 384 ? 0.3089 0.3640 0.3950 0.0487 -0.0189 0.1375 401 TYR A CE1 3126 C CE2 . TYR A 384 ? 0.2521 0.2992 0.3220 0.0389 -0.0159 0.1158 401 TYR A CE2 3127 C CZ . TYR A 384 ? 0.3091 0.3659 0.3827 0.0424 -0.0227 0.1267 401 TYR A CZ 3128 O OH . TYR A 384 ? 0.3206 0.3883 0.3857 0.0396 -0.0337 0.1265 401 TYR A OH 3129 N N . PRO A 385 ? 0.2619 0.2746 0.4001 0.0628 0.0237 0.1325 402 PRO A N 3130 C CA . PRO A 385 ? 0.2575 0.2753 0.4147 0.0706 0.0247 0.1446 402 PRO A CA 3131 C C . PRO A 385 ? 0.2581 0.2879 0.4137 0.0727 0.0146 0.1579 402 PRO A C 3132 O O . PRO A 385 ? 0.2605 0.2879 0.4002 0.0694 0.0113 0.1589 402 PRO A O 3133 C CB . PRO A 385 ? 0.2797 0.2799 0.4448 0.0746 0.0369 0.1454 402 PRO A CB 3134 C CG . PRO A 385 ? 0.3466 0.3333 0.4978 0.0682 0.0417 0.1326 402 PRO A CG 3135 C CD . PRO A 385 ? 0.2808 0.2760 0.4145 0.0610 0.0327 0.1263 402 PRO A CD 3136 N N . ILE A 386 ? 0.2585 0.3016 0.4299 0.0779 0.0095 0.1677 403 ILE A N 3137 C CA . ILE A 386 ? 0.2528 0.3078 0.4240 0.0809 -0.0006 0.1817 403 ILE A CA 3138 C C . ILE A 386 ? 0.3335 0.3920 0.5280 0.0905 0.0016 0.1961 403 ILE A C 3139 O O . ILE A 386 ? 0.2991 0.3554 0.5129 0.0947 0.0095 0.1949 403 ILE A O 3140 C CB . ILE A 386 ? 0.3126 0.3860 0.4777 0.0766 -0.0150 0.1807 403 ILE A CB 3141 C CG1 . ILE A 386 ? 0.3445 0.4281 0.5287 0.0771 -0.0155 0.1776 403 ILE A CG1 3142 C CG2 . ILE A 386 ? 0.2820 0.3518 0.4223 0.0680 -0.0182 0.1691 403 ILE A CG2 3143 C CD1 . ILE A 386 ? 0.3588 0.4624 0.5447 0.0742 -0.0305 0.1805 403 ILE A CD1 3144 N N . LYS A 387 ? 0.3462 0.4100 0.5381 0.0941 -0.0050 0.2101 404 LYS A N 3145 C CA . LYS A 387 ? 0.5285 0.6016 0.7424 0.1034 -0.0076 0.2267 404 LYS A CA 3146 C C . LYS A 387 ? 0.5992 0.6956 0.8133 0.1026 -0.0250 0.2337 404 LYS A C 3147 O O . LYS A 387 ? 0.5015 0.6042 0.6945 0.0952 -0.0348 0.2272 404 LYS A O 3148 C CB . LYS A 387 ? 0.4732 0.5355 0.6849 0.1088 -0.0031 0.2395 404 LYS A CB 3149 C CG . LYS A 387 ? 0.8227 0.8612 1.0371 0.1094 0.0137 0.2330 404 LYS A CG 3150 C CD . LYS A 387 ? 0.8932 0.9189 1.0842 0.1036 0.0164 0.2293 404 LYS A CD 3151 C CE . LYS A 387 ? 0.9946 1.0135 1.1873 0.1096 0.0192 0.2464 404 LYS A CE 3152 N NZ . LYS A 387 ? 1.0144 1.0510 1.2108 0.1158 0.0070 0.2640 404 LYS A NZ 3153 N N . LEU B 1 ? 0.2925 0.2181 0.2962 0.0126 0.0421 0.0852 18 LEU B N 3154 C CA . LEU B 1 ? 0.3078 0.2321 0.3245 0.0103 0.0498 0.0900 18 LEU B CA 3155 C C . LEU B 1 ? 0.3627 0.2852 0.3946 0.0049 0.0497 0.0882 18 LEU B C 3156 O O . LEU B 1 ? 0.3190 0.2457 0.3566 -0.0004 0.0434 0.0813 18 LEU B O 3157 C CB . LEU B 1 ? 0.3013 0.2335 0.3252 0.0077 0.0501 0.0891 18 LEU B CB 3158 C CG . LEU B 1 ? 0.3108 0.2458 0.3536 0.0040 0.0562 0.0936 18 LEU B CG 3159 C CD1 . LEU B 1 ? 0.3287 0.2554 0.3688 0.0085 0.0672 0.1019 18 LEU B CD1 3160 C CD2 . LEU B 1 ? 0.2608 0.2055 0.3114 0.0025 0.0551 0.0933 18 LEU B CD2 3161 N N . ASP B 2 ? 0.3291 0.2440 0.3664 0.0060 0.0571 0.0944 19 ASP B N 3162 C CA . ASP B 2 ? 0.3468 0.2566 0.3967 0.0013 0.0586 0.0929 19 ASP B CA 3163 C C . ASP B 2 ? 0.3507 0.2652 0.4188 -0.0071 0.0593 0.0915 19 ASP B C 3164 O O . ASP B 2 ? 0.3536 0.2632 0.4330 -0.0094 0.0660 0.0962 19 ASP B O 3165 C CB . ASP B 2 ? 0.3577 0.2566 0.4057 0.0064 0.0665 0.1011 19 ASP B CB 3166 C CG . ASP B 2 ? 0.4037 0.2943 0.4636 0.0026 0.0692 0.0996 19 ASP B CG 3167 O OD1 . ASP B 2 ? 0.4588 0.3501 0.5225 -0.0023 0.0642 0.0912 19 ASP B OD1 3168 O OD2 . ASP B 2 ? 0.4526 0.3348 0.5170 0.0047 0.0773 0.1070 19 ASP B OD2 3169 N N . ASN B 3 ? 0.2973 0.2217 0.3687 -0.0123 0.0521 0.0859 20 ASN B N 3170 C CA . ASN B 3 ? 0.3099 0.2415 0.3991 -0.0212 0.0505 0.0853 20 ASN B CA 3171 C C . ASN B 3 ? 0.2777 0.2105 0.3704 -0.0306 0.0428 0.0763 20 ASN B C 3172 O O . ASN B 3 ? 0.3385 0.2796 0.4431 -0.0392 0.0381 0.0749 20 ASN B O 3173 C CB . ASN B 3 ? 0.2964 0.2396 0.3894 -0.0202 0.0491 0.0884 20 ASN B CB 3174 C CG . ASN B 3 ? 0.2895 0.2387 0.3707 -0.0187 0.0410 0.0827 20 ASN B CG 3175 O OD1 . ASN B 3 ? 0.2791 0.2242 0.3490 -0.0184 0.0364 0.0765 20 ASN B OD1 3176 N ND2 . ASN B 3 ? 0.2888 0.2470 0.3734 -0.0175 0.0401 0.0852 20 ASN B ND2 3177 N N . GLY B 4 ? 0.3303 0.2549 0.4125 -0.0291 0.0416 0.0707 21 GLY B N 3178 C CA . GLY B 4 ? 0.3568 0.2789 0.4391 -0.0377 0.0365 0.0615 21 GLY B CA 3179 C C . GLY B 4 ? 0.3752 0.3066 0.4496 -0.0402 0.0274 0.0554 21 GLY B C 3180 O O . GLY B 4 ? 0.3819 0.3108 0.4528 -0.0472 0.0232 0.0472 21 GLY B O 3181 N N . LEU B 5 ? 0.2758 0.2163 0.3463 -0.0346 0.0251 0.0593 22 LEU B N 3182 C CA . LEU B 5 ? 0.2681 0.2181 0.3333 -0.0371 0.0167 0.0550 22 LEU B CA 3183 C C . LEU B 5 ? 0.2706 0.2189 0.3206 -0.0300 0.0153 0.0520 22 LEU B C 3184 O O . LEU B 5 ? 0.2847 0.2278 0.3284 -0.0216 0.0198 0.0555 22 LEU B O 3185 C CB . LEU B 5 ? 0.2483 0.2103 0.3218 -0.0368 0.0149 0.0610 22 LEU B CB 3186 C CG . LEU B 5 ? 0.2886 0.2567 0.3810 -0.0445 0.0148 0.0653 22 LEU B CG 3187 C CD1 . LEU B 5 ? 0.2750 0.2548 0.3771 -0.0416 0.0148 0.0727 22 LEU B CD1 3188 C CD2 . LEU B 5 ? 0.3297 0.3002 0.4253 -0.0569 0.0069 0.0589 22 LEU B CD2 3189 N N . LEU B 6 ? 0.2724 0.2256 0.3168 -0.0339 0.0084 0.0460 23 LEU B N 3190 C CA . LEU B 6 ? 0.2559 0.2101 0.2880 -0.0283 0.0060 0.0433 23 LEU B CA 3191 C C . LEU B 6 ? 0.2526 0.1971 0.2785 -0.0227 0.0103 0.0419 23 LEU B C 3192 O O . LEU B 6 ? 0.2599 0.2043 0.2789 -0.0149 0.0110 0.0447 23 LEU B O 3193 C CB . LEU B 6 ? 0.2774 0.2384 0.3071 -0.0222 0.0056 0.0486 23 LEU B CB 3194 C CG . LEU B 6 ? 0.2789 0.2505 0.3171 -0.0263 0.0020 0.0514 23 LEU B CG 3195 C CD1 . LEU B 6 ? 0.2564 0.2321 0.2903 -0.0198 0.0027 0.0549 23 LEU B CD1 3196 C CD2 . LEU B 6 ? 0.3127 0.2899 0.3516 -0.0350 -0.0055 0.0462 23 LEU B CD2 3197 N N . GLN B 7 ? 0.2850 0.2211 0.3140 -0.0271 0.0131 0.0378 24 GLN B N 3198 C CA . GLN B 7 ? 0.2959 0.2228 0.3219 -0.0223 0.0175 0.0362 24 GLN B CA 3199 C C . GLN B 7 ? 0.2630 0.1927 0.2806 -0.0205 0.0139 0.0312 24 GLN B C 3200 O O . GLN B 7 ? 0.2761 0.2016 0.2923 -0.0146 0.0168 0.0317 24 GLN B O 3201 C CB . GLN B 7 ? 0.3448 0.2604 0.3765 -0.0284 0.0226 0.0320 24 GLN B CB 3202 C CG . GLN B 7 ? 0.3828 0.2946 0.4244 -0.0297 0.0271 0.0377 24 GLN B CG 3203 C CD . GLN B 7 ? 0.4724 0.3830 0.5143 -0.0194 0.0314 0.0472 24 GLN B CD 3204 O OE1 . GLN B 7 ? 0.6455 0.5618 0.6888 -0.0174 0.0313 0.0534 24 GLN B OE1 3205 N NE2 . GLN B 7 ? 0.3802 0.2835 0.4204 -0.0129 0.0354 0.0488 24 GLN B NE2 3206 N N . THR B 8 ? 0.2664 0.2040 0.2800 -0.0256 0.0079 0.0273 25 THR B N 3207 C CA . THR B 8 ? 0.2432 0.1857 0.2490 -0.0238 0.0040 0.0239 25 THR B CA 3208 C C . THR B 8 ? 0.2371 0.1903 0.2411 -0.0233 -0.0013 0.0273 25 THR B C 3209 O O . THR B 8 ? 0.2473 0.2039 0.2569 -0.0257 -0.0019 0.0311 25 THR B O 3210 C CB . THR B 8 ? 0.2653 0.2051 0.2667 -0.0317 0.0029 0.0153 25 THR B CB 3211 O OG1 . THR B 8 ? 0.2795 0.2233 0.2819 -0.0407 -0.0014 0.0140 25 THR B OG1 3212 C CG2 . THR B 8 ? 0.3009 0.2277 0.3039 -0.0327 0.0102 0.0107 25 THR B CG2 3213 N N . PRO B 9 ? 0.2244 0.1827 0.2222 -0.0200 -0.0045 0.0265 26 PRO B N 3214 C CA . PRO B 9 ? 0.2402 0.2065 0.2367 -0.0187 -0.0081 0.0301 26 PRO B CA 3215 C C . PRO B 9 ? 0.2495 0.2217 0.2499 -0.0261 -0.0120 0.0295 26 PRO B C 3216 O O . PRO B 9 ? 0.2570 0.2285 0.2556 -0.0329 -0.0143 0.0244 26 PRO B O 3217 C CB . PRO B 9 ? 0.2324 0.2016 0.2216 -0.0153 -0.0107 0.0279 26 PRO B CB 3218 C CG . PRO B 9 ? 0.2365 0.2000 0.2253 -0.0114 -0.0076 0.0268 26 PRO B CG 3219 C CD . PRO B 9 ? 0.2323 0.1889 0.2256 -0.0161 -0.0040 0.0237 26 PRO B CD 3220 N N . PRO B 10 ? 0.2238 0.2018 0.2296 -0.0251 -0.0126 0.0351 27 PRO B N 3221 C CA . PRO B 10 ? 0.2183 0.2039 0.2302 -0.0320 -0.0173 0.0361 27 PRO B CA 3222 C C . PRO B 10 ? 0.2420 0.2329 0.2474 -0.0345 -0.0228 0.0332 27 PRO B C 3223 O O . PRO B 10 ? 0.2256 0.2166 0.2250 -0.0293 -0.0224 0.0328 27 PRO B O 3224 C CB . PRO B 10 ? 0.2359 0.2262 0.2566 -0.0283 -0.0151 0.0438 27 PRO B CB 3225 C CG . PRO B 10 ? 0.2524 0.2380 0.2653 -0.0198 -0.0108 0.0447 27 PRO B CG 3226 C CD . PRO B 10 ? 0.2418 0.2196 0.2475 -0.0180 -0.0090 0.0406 27 PRO B CD 3227 N N . MET B 11 ? 0.2087 0.2038 0.2149 -0.0430 -0.0280 0.0316 28 MET B N 3228 C CA . MET B 11 ? 0.2225 0.2232 0.2226 -0.0465 -0.0335 0.0301 28 MET B CA 3229 C C . MET B 11 ? 0.2249 0.2362 0.2347 -0.0516 -0.0393 0.0365 28 MET B C 3230 O O . MET B 11 ? 0.2442 0.2577 0.2620 -0.0576 -0.0413 0.0384 28 MET B O 3231 C CB . MET B 11 ? 0.2351 0.2304 0.2244 -0.0532 -0.0348 0.0221 28 MET B CB 3232 C CG . MET B 11 ? 0.2562 0.2415 0.2388 -0.0486 -0.0287 0.0163 28 MET B CG 3233 S SD . MET B 11 ? 0.2737 0.2500 0.2450 -0.0566 -0.0271 0.0065 28 MET B SD 3234 C CE . MET B 11 ? 0.2885 0.2723 0.2499 -0.0626 -0.0339 0.0059 28 MET B CE 3235 N N . GLY B 12 ? 0.2019 0.2202 0.2125 -0.0495 -0.0422 0.0406 29 GLY B N 3236 C CA . GLY B 12 ? 0.2450 0.2748 0.2664 -0.0541 -0.0483 0.0482 29 GLY B CA 3237 C C . GLY B 12 ? 0.2149 0.2501 0.2382 -0.0491 -0.0488 0.0533 29 GLY B C 3238 O O . GLY B 12 ? 0.2126 0.2439 0.2246 -0.0466 -0.0479 0.0490 29 GLY B O 3239 N N . TRP B 13 ? 0.2198 0.2634 0.2590 -0.0472 -0.0492 0.0626 30 TRP B N 3240 C CA . TRP B 13 ? 0.1738 0.2234 0.2186 -0.0435 -0.0499 0.0692 30 TRP B CA 3241 C C . TRP B 13 ? 0.2423 0.2940 0.3039 -0.0367 -0.0434 0.0770 30 TRP B C 3242 O O . TRP B 13 ? 0.2411 0.2974 0.3162 -0.0386 -0.0432 0.0815 30 TRP B O 3243 C CB . TRP B 13 ? 0.1665 0.2278 0.2149 -0.0516 -0.0601 0.0747 30 TRP B CB 3244 C CG . TRP B 13 ? 0.1808 0.2491 0.2362 -0.0483 -0.0615 0.0830 30 TRP B CG 3245 C CD1 . TRP B 13 ? 0.2123 0.2796 0.2563 -0.0488 -0.0639 0.0815 30 TRP B CD1 3246 C CD2 . TRP B 13 ? 0.1861 0.2635 0.2632 -0.0443 -0.0602 0.0950 30 TRP B CD2 3247 N NE1 . TRP B 13 ? 0.2518 0.3264 0.3085 -0.0451 -0.0643 0.0918 30 TRP B NE1 3248 C CE2 . TRP B 13 ? 0.2627 0.3435 0.3403 -0.0420 -0.0619 0.1003 30 TRP B CE2 3249 C CE3 . TRP B 13 ? 0.2170 0.2995 0.3143 -0.0420 -0.0569 0.1022 30 TRP B CE3 3250 C CZ2 . TRP B 13 ? 0.2242 0.3131 0.3224 -0.0372 -0.0600 0.1126 30 TRP B CZ2 3251 C CZ3 . TRP B 13 ? 0.2731 0.3643 0.3914 -0.0372 -0.0548 0.1144 30 TRP B CZ3 3252 C CH2 . TRP B 13 ? 0.2687 0.3629 0.3874 -0.0347 -0.0564 0.1196 30 TRP B CH2 3253 N N . LEU B 14 ? 0.1911 0.2386 0.2516 -0.0291 -0.0375 0.0782 31 LEU B N 3254 C CA . LEU B 14 ? 0.1892 0.2351 0.2621 -0.0217 -0.0286 0.0841 31 LEU B CA 3255 C C . LEU B 14 ? 0.2266 0.2767 0.3073 -0.0185 -0.0280 0.0908 31 LEU B C 3256 O O . LEU B 14 ? 0.2239 0.2710 0.2931 -0.0185 -0.0301 0.0871 31 LEU B O 3257 C CB . LEU B 14 ? 0.2388 0.2709 0.2978 -0.0158 -0.0203 0.0767 31 LEU B CB 3258 C CG . LEU B 14 ? 0.2997 0.3259 0.3645 -0.0100 -0.0102 0.0793 31 LEU B CG 3259 C CD1 . LEU B 14 ? 0.2442 0.2576 0.2903 -0.0065 -0.0055 0.0712 31 LEU B CD1 3260 C CD2 . LEU B 14 ? 0.4007 0.4277 0.4776 -0.0045 -0.0033 0.0865 31 LEU B CD2 3261 N N . ALA B 15 ? 0.2331 0.2900 0.3348 -0.0154 -0.0244 0.1012 32 ALA B N 3262 C CA . ALA B 15 ? 0.2111 0.2739 0.3246 -0.0127 -0.0243 0.1099 32 ALA B CA 3263 C C . ALA B 15 ? 0.1946 0.2446 0.2996 -0.0053 -0.0146 0.1063 32 ALA B C 3264 O O . ALA B 15 ? 0.2263 0.2779 0.3340 -0.0040 -0.0155 0.1102 32 ALA B O 3265 C CB . ALA B 15 ? 0.2133 0.2875 0.3551 -0.0109 -0.0222 0.1232 32 ALA B CB 3266 N N . TRP B 16 ? 0.2071 0.2439 0.3007 -0.0011 -0.0057 0.0989 33 TRP B N 3267 C CA . TRP B 16 ? 0.1686 0.1931 0.2585 0.0058 0.0055 0.0974 33 TRP B CA 3268 C C . TRP B 16 ? 0.2311 0.2495 0.3076 0.0057 0.0039 0.0923 33 TRP B C 3269 O O . TRP B 16 ? 0.2245 0.2403 0.3086 0.0094 0.0092 0.0969 33 TRP B O 3270 C CB . TRP B 16 ? 0.1982 0.2096 0.2754 0.0091 0.0143 0.0904 33 TRP B CB 3271 C CG . TRP B 16 ? 0.1949 0.1924 0.2658 0.0148 0.0258 0.0882 33 TRP B CG 3272 C CD1 . TRP B 16 ? 0.2506 0.2353 0.2997 0.0150 0.0276 0.0785 33 TRP B CD1 3273 C CD2 . TRP B 16 ? 0.2267 0.2211 0.3134 0.0207 0.0374 0.0956 33 TRP B CD2 3274 N NE1 . TRP B 16 ? 0.2482 0.2210 0.2963 0.0197 0.0392 0.0784 33 TRP B NE1 3275 C CE2 . TRP B 16 ? 0.2113 0.1888 0.2822 0.0238 0.0464 0.0887 33 TRP B CE2 3276 C CE3 . TRP B 16 ? 0.2178 0.2219 0.3315 0.0234 0.0414 0.1077 33 TRP B CE3 3277 C CZ2 . TRP B 16 ? 0.2938 0.2616 0.3732 0.0297 0.0606 0.0925 33 TRP B CZ2 3278 C CZ3 . TRP B 16 ? 0.2461 0.2423 0.3712 0.0303 0.0555 0.1128 33 TRP B CZ3 3279 C CH2 . TRP B 16 ? 0.2469 0.2241 0.3540 0.0334 0.0656 0.1047 33 TRP B CH2 3280 N N . GLU B 17 ? 0.2036 0.2188 0.2614 0.0018 -0.0021 0.0830 34 GLU B N 3281 C CA . GLU B 17 ? 0.1975 0.2058 0.2433 0.0020 -0.0020 0.0778 34 GLU B CA 3282 C C . GLU B 17 ? 0.1696 0.1854 0.2266 0.0012 -0.0053 0.0857 34 GLU B C 3283 O O . GLU B 17 ? 0.2113 0.2201 0.2686 0.0043 0.0002 0.0863 34 GLU B O 3284 C CB . GLU B 17 ? 0.1996 0.2062 0.2275 -0.0023 -0.0087 0.0683 34 GLU B CB 3285 C CG . GLU B 17 ? 0.2106 0.2066 0.2244 -0.0013 -0.0059 0.0608 34 GLU B CG 3286 C CD . GLU B 17 ? 0.2419 0.2396 0.2589 -0.0022 -0.0074 0.0636 34 GLU B CD 3287 O OE1 . GLU B 17 ? 0.2146 0.2226 0.2362 -0.0059 -0.0147 0.0677 34 GLU B OE1 3288 O OE2 . GLU B 17 ? 0.2291 0.2174 0.2437 0.0003 -0.0010 0.0621 34 GLU B OE2 3289 N N . ARG B 18 ? 0.2063 0.2357 0.2715 -0.0033 -0.0146 0.0917 35 ARG B N 3290 C CA . ARG B 18 ? 0.1856 0.2227 0.2579 -0.0050 -0.0196 0.0994 35 ARG B CA 3291 C C . ARG B 18 ? 0.2212 0.2652 0.3176 -0.0008 -0.0161 0.1130 35 ARG B C 3292 O O . ARG B 18 ? 0.2035 0.2492 0.3076 0.0009 -0.0154 0.1200 35 ARG B O 3293 C CB . ARG B 18 ? 0.1830 0.2309 0.2497 -0.0131 -0.0320 0.0995 35 ARG B CB 3294 C CG . ARG B 18 ? 0.1745 0.2321 0.2476 -0.0158 -0.0386 0.1091 35 ARG B CG 3295 C CD . ARG B 18 ? 0.1856 0.2354 0.2515 -0.0135 -0.0348 0.1072 35 ARG B CD 3296 N NE . ARG B 18 ? 0.1975 0.2568 0.2704 -0.0158 -0.0408 0.1181 35 ARG B NE 3297 C CZ . ARG B 18 ? 0.2198 0.2855 0.3130 -0.0119 -0.0393 0.1316 35 ARG B CZ 3298 N NH1 . ARG B 18 ? 0.2389 0.3017 0.3486 -0.0051 -0.0304 0.1356 35 ARG B NH1 3299 N NH2 . ARG B 18 ? 0.2556 0.3309 0.3532 -0.0148 -0.0464 0.1420 35 ARG B NH2 3300 N N . PHE B 19 ? 0.2097 0.2585 0.3199 0.0006 -0.0136 0.1177 36 PHE B N 3301 C CA . PHE B 19 ? 0.2145 0.2734 0.3520 0.0041 -0.0114 0.1325 36 PHE B CA 3302 C C . PHE B 19 ? 0.2054 0.2545 0.3543 0.0126 0.0041 0.1344 36 PHE B C 3303 O O . PHE B 19 ? 0.2150 0.2687 0.3870 0.0177 0.0097 0.1464 36 PHE B O 3304 C CB . PHE B 19 ? 0.2257 0.3024 0.3759 -0.0021 -0.0227 0.1403 36 PHE B CB 3305 C CG . PHE B 19 ? 0.1890 0.2745 0.3282 -0.0106 -0.0369 0.1400 36 PHE B CG 3306 C CD1 . PHE B 19 ? 0.2558 0.3506 0.4040 -0.0115 -0.0427 0.1509 36 PHE B CD1 3307 C CD2 . PHE B 19 ? 0.2295 0.3126 0.3483 -0.0175 -0.0434 0.1288 36 PHE B CD2 3308 C CE1 . PHE B 19 ? 0.2222 0.3238 0.3570 -0.0197 -0.0550 0.1504 36 PHE B CE1 3309 C CE2 . PHE B 19 ? 0.2437 0.3327 0.3499 -0.0255 -0.0547 0.1277 36 PHE B CE2 3310 C CZ . PHE B 19 ? 0.2585 0.3567 0.3716 -0.0270 -0.0607 0.1383 36 PHE B CZ 3311 N N . ARG B 20 ? 0.2253 0.2601 0.3572 0.0143 0.0115 0.1229 37 ARG B N 3312 C CA . ARG B 20 ? 0.1948 0.2151 0.3283 0.0217 0.0276 0.1212 37 ARG B CA 3313 C C . ARG B 20 ? 0.2322 0.2600 0.3944 0.0265 0.0351 0.1339 37 ARG B C 3314 O O . ARG B 20 ? 0.2435 0.2845 0.4175 0.0233 0.0287 0.1391 37 ARG B O 3315 C CB . ARG B 20 ? 0.2551 0.2614 0.3805 0.0252 0.0353 0.1176 37 ARG B CB 3316 C CG . ARG B 20 ? 0.2368 0.2358 0.3360 0.0205 0.0288 0.1054 37 ARG B CG 3317 C CD . ARG B 20 ? 0.2548 0.2406 0.3318 0.0200 0.0329 0.0927 37 ARG B CD 3318 N NE . ARG B 20 ? 0.2278 0.2105 0.2836 0.0151 0.0249 0.0826 37 ARG B NE 3319 C CZ . ARG B 20 ? 0.2367 0.2053 0.2733 0.0148 0.0290 0.0724 37 ARG B CZ 3320 N NH1 . ARG B 20 ? 0.2906 0.2443 0.3223 0.0187 0.0413 0.0696 37 ARG B NH1 3321 N NH2 . ARG B 20 ? 0.2348 0.2038 0.2565 0.0102 0.0206 0.0649 37 ARG B NH2 3322 N N . CYS B 21 ? 0.2364 0.2560 0.4111 0.0338 0.0488 0.1392 38 CYS B N 3323 C CA . CYS B 21 ? 0.2675 0.2929 0.4713 0.0396 0.0585 0.1516 38 CYS B CA 3324 C C . CYS B 21 ? 0.3213 0.3585 0.5529 0.0427 0.0572 0.1670 38 CYS B C 3325 O O . CYS B 21 ? 0.3107 0.3435 0.5629 0.0505 0.0715 0.1753 38 CYS B O 3326 C CB . CYS B 21 ? 0.2396 0.2442 0.4364 0.0464 0.0784 0.1457 38 CYS B CB 3327 S SG . CYS B 21 ? 0.3098 0.3203 0.5391 0.0530 0.0922 0.1585 38 CYS B SG 3328 N N . ASN B 22 ? 0.2797 0.3320 0.5119 0.0364 0.0404 0.1712 39 ASN B N 3329 C CA . ASN B 22 ? 0.2554 0.3221 0.5130 0.0379 0.0356 0.1873 39 ASN B CA 3330 C C . ASN B 22 ? 0.2331 0.3206 0.5225 0.0377 0.0312 0.2025 39 ASN B C 3331 O O . ASN B 22 ? 0.2957 0.3982 0.5841 0.0294 0.0163 0.2034 39 ASN B O 3332 C CB . ASN B 22 ? 0.2528 0.3272 0.4953 0.0303 0.0189 0.1856 39 ASN B CB 3333 C CG . ASN B 22 ? 0.3031 0.3906 0.5677 0.0318 0.0137 0.2023 39 ASN B CG 3334 O OD1 . ASN B 22 ? 0.3622 0.4548 0.6570 0.0389 0.0221 0.2165 39 ASN B OD1 3335 N ND2 . ASN B 22 ? 0.2731 0.3664 0.5235 0.0252 0.0002 0.2016 39 ASN B ND2 3336 N N . ILE B 23 ? 0.3067 0.3946 0.6254 0.0464 0.0449 0.2145 40 ILE B N 3337 C CA . ILE B 23 ? 0.2576 0.3659 0.6121 0.0472 0.0427 0.2308 40 ILE B CA 3338 C C . ILE B 23 ? 0.2987 0.4234 0.6862 0.0508 0.0392 0.2512 40 ILE B C 3339 O O . ILE B 23 ? 0.3338 0.4768 0.7563 0.0525 0.0381 0.2674 40 ILE B O 3340 C CB . ILE B 23 ? 0.3018 0.3998 0.6682 0.0548 0.0626 0.2299 40 ILE B CB 3341 C CG1 . ILE B 23 ? 0.3850 0.4625 0.7552 0.0657 0.0845 0.2297 40 ILE B CG1 3342 C CG2 . ILE B 23 ? 0.2934 0.3782 0.6281 0.0504 0.0636 0.2120 40 ILE B CG2 3343 C CD1 . ILE B 23 ? 0.5098 0.5816 0.9031 0.0743 0.1052 0.2355 40 ILE B CD1 3344 N N . ASN B 24 ? 0.3381 0.4571 0.7154 0.0516 0.0368 0.2512 41 ASN B N 3345 C CA . ASN B 24 ? 0.3262 0.4587 0.7337 0.0559 0.0345 0.2712 41 ASN B CA 3346 C C . ASN B 24 ? 0.2570 0.4152 0.6686 0.0457 0.0097 0.2815 41 ASN B C 3347 O O . ASN B 24 ? 0.2884 0.4469 0.6826 0.0413 -0.0006 0.2804 41 ASN B O 3348 C CB . ASN B 24 ? 0.3098 0.4229 0.7046 0.0613 0.0444 0.2668 41 ASN B CB 3349 C CG . ASN B 24 ? 0.5314 0.6525 0.9620 0.0695 0.0499 0.2879 41 ASN B CG 3350 O OD1 . ASN B 24 ? 0.5183 0.6639 0.9814 0.0694 0.0408 0.3074 41 ASN B OD1 3351 N ND2 . ASN B 24 ? 0.5950 0.6953 1.0206 0.0766 0.0648 0.2846 41 ASN B ND2 3352 N N . CYS B 25 ? 0.2737 0.4530 0.7072 0.0414 0.0006 0.2915 42 CYS B N 3353 C CA . CYS B 25 ? 0.3671 0.5703 0.8017 0.0299 -0.0237 0.3000 42 CYS B CA 3354 C C . CYS B 25 ? 0.3401 0.5614 0.8034 0.0324 -0.0309 0.3230 42 CYS B C 3355 O O . CYS B 25 ? 0.3984 0.6332 0.8522 0.0234 -0.0501 0.3283 42 CYS B O 3356 C CB . CYS B 25 ? 0.3526 0.5719 0.7999 0.0228 -0.0321 0.3021 42 CYS B CB 3357 S SG . CYS B 25 ? 0.4013 0.6011 0.8132 0.0183 -0.0265 0.2763 42 CYS B SG 3358 N N . ASP B 26 ? 0.4227 0.6428 0.9198 0.0448 -0.0150 0.3366 43 ASP B N 3359 C CA . ASP B 26 ? 0.4170 0.6536 0.9450 0.0490 -0.0199 0.3603 43 ASP B CA 3360 C C . ASP B 26 ? 0.4013 0.6276 0.9033 0.0477 -0.0244 0.3566 43 ASP B C 3361 O O . ASP B 26 ? 0.4918 0.7359 0.9998 0.0429 -0.0409 0.3713 43 ASP B O 3362 C CB . ASP B 26 ? 0.4014 0.6333 0.9690 0.0642 0.0024 0.3733 43 ASP B CB 3363 C CG . ASP B 26 ? 0.5326 0.7813 1.1367 0.0660 0.0055 0.3842 43 ASP B CG 3364 O OD1 . ASP B 26 ? 0.5238 0.7928 1.1295 0.0550 -0.0128 0.3864 43 ASP B OD1 3365 O OD2 . ASP B 26 ? 0.6035 0.8440 1.2354 0.0784 0.0274 0.3904 43 ASP B OD2 3366 N N . GLU B 27 ? 0.3703 0.5683 0.8432 0.0516 -0.0099 0.3373 44 GLU B N 3367 C CA . GLU B 27 ? 0.4132 0.5987 0.8614 0.0507 -0.0114 0.3321 44 GLU B CA 3368 C C . GLU B 27 ? 0.3908 0.5719 0.7948 0.0385 -0.0256 0.3137 44 GLU B C 3369 O O . GLU B 27 ? 0.3824 0.5610 0.7681 0.0350 -0.0327 0.3132 44 GLU B O 3370 C CB . GLU B 27 ? 0.5355 0.6922 0.9791 0.0616 0.0127 0.3224 44 GLU B CB 3371 C CG . GLU B 27 ? 0.7426 0.8994 1.2286 0.0747 0.0300 0.3401 44 GLU B CG 3372 C CD . GLU B 27 ? 0.8680 0.9965 1.3477 0.0839 0.0512 0.3331 44 GLU B CD 3373 O OE1 . GLU B 27 ? 0.9606 1.0651 1.4098 0.0831 0.0617 0.3110 44 GLU B OE1 3374 O OE2 . GLU B 27 ? 0.8932 1.0234 1.3987 0.0915 0.0573 0.3501 44 GLU B OE2 3375 N N . ASP B 28 ? 0.3141 0.4935 0.7018 0.0325 -0.0284 0.2991 45 ASP B N 3376 C CA . ASP B 28 ? 0.3587 0.5303 0.7052 0.0224 -0.0381 0.2799 45 ASP B CA 3377 C C . ASP B 28 ? 0.3633 0.5490 0.7054 0.0122 -0.0517 0.2763 45 ASP B C 3378 O O . ASP B 28 ? 0.3152 0.4897 0.6375 0.0096 -0.0480 0.2592 45 ASP B O 3379 C CB . ASP B 28 ? 0.3536 0.4972 0.6760 0.0274 -0.0212 0.2595 45 ASP B CB 3380 C CG . ASP B 28 ? 0.3495 0.4831 0.6318 0.0191 -0.0287 0.2416 45 ASP B CG 3381 O OD1 . ASP B 28 ? 0.3992 0.5447 0.6702 0.0103 -0.0449 0.2446 45 ASP B OD1 3382 O OD2 . ASP B 28 ? 0.3808 0.4943 0.6427 0.0214 -0.0180 0.2245 45 ASP B OD2 3383 N N . PRO B 29 ? 0.3570 0.5675 0.7177 0.0058 -0.0681 0.2929 46 PRO B N 3384 C CA . PRO B 29 ? 0.3618 0.5863 0.7232 -0.0041 -0.0805 0.2910 46 PRO B CA 3385 C C . PRO B 29 ? 0.3783 0.5949 0.6992 -0.0157 -0.0900 0.2714 46 PRO B C 3386 O O . PRO B 29 ? 0.3877 0.6068 0.7054 -0.0216 -0.0934 0.2640 46 PRO B O 3387 C CB . PRO B 29 ? 0.3845 0.6371 0.7715 -0.0096 -0.0980 0.3140 46 PRO B CB 3388 C CG . PRO B 29 ? 0.4141 0.6653 0.7981 -0.0061 -0.0991 0.3231 46 PRO B CG 3389 C CD . PRO B 29 ? 0.3217 0.5490 0.7047 0.0071 -0.0764 0.3151 46 PRO B CD 3390 N N . LYS B 30 ? 0.3873 0.5940 0.6790 -0.0186 -0.0932 0.2633 47 LYS B N 3391 C CA . LYS B 30 ? 0.3631 0.5621 0.6177 -0.0291 -0.1011 0.2455 47 LYS B CA 3392 C C . LYS B 30 ? 0.3812 0.5585 0.6168 -0.0250 -0.0874 0.2252 47 LYS B C 3393 O O . LYS B 30 ? 0.2989 0.4710 0.5113 -0.0327 -0.0920 0.2112 47 LYS B O 3394 C CB . LYS B 30 ? 0.4283 0.6248 0.6591 -0.0338 -0.1086 0.2448 47 LYS B CB 3395 C CG . LYS B 30 ? 0.5383 0.7561 0.7814 -0.0397 -0.1245 0.2646 47 LYS B CG 3396 C CD . LYS B 30 ? 0.7754 0.9888 0.9902 -0.0452 -0.1313 0.2626 47 LYS B CD 3397 C CE . LYS B 30 ? 0.8734 1.0746 1.0917 -0.0341 -0.1183 0.2656 47 LYS B CE 3398 N NZ . LYS B 30 ? 0.9586 1.1730 1.2127 -0.0264 -0.1175 0.2887 47 LYS B NZ 3399 N N . ASN B 31 ? 0.2195 0.3837 0.4644 -0.0133 -0.0706 0.2239 48 ASN B N 3400 C CA . ASN B 31 ? 0.2253 0.3683 0.4500 -0.0094 -0.0580 0.2055 48 ASN B CA 3401 C C . ASN B 31 ? 0.2332 0.3695 0.4739 -0.0014 -0.0437 0.2041 48 ASN B C 3402 O O . ASN B 31 ? 0.2644 0.3836 0.4874 0.0012 -0.0340 0.1894 48 ASN B O 3403 C CB . ASN B 31 ? 0.2660 0.3941 0.4765 -0.0044 -0.0505 0.2006 48 ASN B CB 3404 C CG . ASN B 31 ? 0.3239 0.4562 0.5148 -0.0124 -0.0629 0.2000 48 ASN B CG 3405 O OD1 . ASN B 31 ? 0.2866 0.4186 0.4552 -0.0210 -0.0712 0.1895 48 ASN B OD1 3406 N ND2 . ASN B 31 ? 0.3567 0.4929 0.5564 -0.0097 -0.0639 0.2121 48 ASN B ND2 3407 N N . CYS B 32 ? 0.2820 0.4315 0.5555 0.0022 -0.0420 0.2196 49 CYS B N 3408 C CA . CYS B 32 ? 0.2886 0.4312 0.5777 0.0099 -0.0267 0.2188 49 CYS B CA 3409 C C . CYS B 32 ? 0.2552 0.3994 0.5366 0.0037 -0.0305 0.2100 49 CYS B C 3410 O O . CYS B 32 ? 0.2647 0.4193 0.5368 -0.0067 -0.0457 0.2081 49 CYS B O 3411 C CB . CYS B 32 ? 0.3169 0.4733 0.6472 0.0166 -0.0219 0.2392 49 CYS B CB 3412 S SG . CYS B 32 ? 0.3341 0.5216 0.6902 0.0072 -0.0414 0.2558 49 CYS B SG 3413 N N . ILE B 33 ? 0.2127 0.3448 0.4960 0.0100 -0.0156 0.2040 50 ILE B N 3414 C CA . ILE B 33 ? 0.2198 0.3521 0.4992 0.0057 -0.0163 0.1972 50 ILE B CA 3415 C C . ILE B 33 ? 0.2193 0.3740 0.5322 0.0023 -0.0235 0.2130 50 ILE B C 3416 O O . ILE B 33 ? 0.2387 0.3981 0.5810 0.0097 -0.0132 0.2248 50 ILE B O 3417 C CB . ILE B 33 ? 0.2289 0.3418 0.5014 0.0139 0.0024 0.1883 50 ILE B CB 3418 C CG1 . ILE B 33 ? 0.2843 0.3761 0.5238 0.0161 0.0078 0.1730 50 ILE B CG1 3419 C CG2 . ILE B 33 ? 0.2186 0.3318 0.4887 0.0099 0.0023 0.1828 50 ILE B CG2 3420 C CD1 . ILE B 33 ? 0.2285 0.3188 0.4396 0.0074 -0.0051 0.1610 50 ILE B CD1 3421 N N . SER B 34 ? 0.2552 0.4236 0.5637 -0.0094 -0.0409 0.2132 51 SER B N 3422 C CA . SER B 34 ? 0.2223 0.4140 0.5613 -0.0151 -0.0512 0.2283 51 SER B CA 3423 C C . SER B 34 ? 0.2531 0.4513 0.5775 -0.0291 -0.0668 0.2212 51 SER B C 3424 O O . SER B 34 ? 0.2639 0.4503 0.5550 -0.0342 -0.0711 0.2064 51 SER B O 3425 C CB . SER B 34 ? 0.2855 0.4945 0.6440 -0.0154 -0.0609 0.2454 51 SER B CB 3426 O OG . SER B 34 ? 0.3105 0.5222 0.6437 -0.0252 -0.0770 0.2407 51 SER B OG 3427 N N . GLU B 35 ? 0.1990 0.4160 0.5492 -0.0355 -0.0750 0.2320 52 GLU B N 3428 C CA . GLU B 35 ? 0.2531 0.4758 0.5910 -0.0499 -0.0894 0.2253 52 GLU B CA 3429 C C . GLU B 35 ? 0.2159 0.4416 0.5287 -0.0599 -0.1059 0.2218 52 GLU B C 3430 O O . GLU B 35 ? 0.2669 0.4837 0.5511 -0.0688 -0.1119 0.2075 52 GLU B O 3431 C CB . GLU B 35 ? 0.3064 0.5503 0.6794 -0.0559 -0.0961 0.2389 52 GLU B CB 3432 C CG . GLU B 35 ? 0.3732 0.6428 0.7721 -0.0613 -0.1115 0.2581 52 GLU B CG 3433 C CD . GLU B 35 ? 0.5340 0.8248 0.9635 -0.0706 -0.1210 0.2690 52 GLU B CD 3434 O OE1 . GLU B 35 ? 0.2306 0.5188 0.6782 -0.0663 -0.1090 0.2689 52 GLU B OE1 3435 O OE2 . GLU B 35 ? 0.2992 0.6091 0.7341 -0.0829 -0.1409 0.2778 52 GLU B OE2 3436 N N . GLN B 36 ? 0.2261 0.4638 0.5501 -0.0582 -0.1124 0.2353 53 GLN B N 3437 C CA . GLN B 36 ? 0.2599 0.5002 0.5601 -0.0667 -0.1268 0.2337 53 GLN B CA 3438 C C . GLN B 36 ? 0.2434 0.4602 0.5037 -0.0653 -0.1204 0.2140 53 GLN B C 3439 O O . GLN B 36 ? 0.3042 0.5171 0.5368 -0.0761 -0.1302 0.2038 53 GLN B O 3440 C CB . GLN B 36 ? 0.3071 0.5598 0.6265 -0.0609 -0.1295 0.2517 53 GLN B CB 3441 C CG . GLN B 36 ? 0.3381 0.5955 0.6354 -0.0696 -0.1447 0.2533 53 GLN B CG 3442 C CD . GLN B 36 ? 0.3852 0.6555 0.7046 -0.0632 -0.1469 0.2732 53 GLN B CD 3443 O OE1 . GLN B 36 ? 0.4027 0.6945 0.7558 -0.0640 -0.1542 0.2921 53 GLN B OE1 3444 N NE2 . GLN B 36 ? 0.3556 0.6131 0.6579 -0.0567 -0.1405 0.2697 53 GLN B NE2 3445 N N . LEU B 37 ? 0.2200 0.4210 0.4779 -0.0525 -0.1036 0.2087 54 LEU B N 3446 C CA . LEU B 37 ? 0.2911 0.4707 0.5144 -0.0505 -0.0971 0.1909 54 LEU B CA 3447 C C . LEU B 37 ? 0.2785 0.4490 0.4808 -0.0582 -0.0987 0.1752 54 LEU B C 3448 O O . LEU B 37 ? 0.2306 0.3934 0.4045 -0.0649 -0.1042 0.1640 54 LEU B O 3449 C CB . LEU B 37 ? 0.2711 0.4353 0.4970 -0.0365 -0.0786 0.1873 54 LEU B CB 3450 C CG . LEU B 37 ? 0.2699 0.4149 0.4642 -0.0340 -0.0729 0.1720 54 LEU B CG 3451 C CD1 . LEU B 37 ? 0.2633 0.4106 0.4489 -0.0350 -0.0790 0.1763 54 LEU B CD1 3452 C CD2 . LEU B 37 ? 0.2238 0.3527 0.4188 -0.0225 -0.0553 0.1664 54 LEU B CD2 3453 N N . PHE B 38 ? 0.2572 0.4281 0.4743 -0.0569 -0.0931 0.1751 55 PHE B N 3454 C CA . PHE B 38 ? 0.2191 0.3811 0.4201 -0.0635 -0.0935 0.1617 55 PHE B CA 3455 C C . PHE B 38 ? 0.2739 0.4449 0.4659 -0.0789 -0.1098 0.1603 55 PHE B C 3456 O O . PHE B 38 ? 0.2513 0.4105 0.4168 -0.0851 -0.1114 0.1462 55 PHE B O 3457 C CB . PHE B 38 ? 0.2646 0.4244 0.4843 -0.0581 -0.0825 0.1630 55 PHE B CB 3458 C CG . PHE B 38 ? 0.2184 0.3637 0.4363 -0.0444 -0.0655 0.1597 55 PHE B CG 3459 C CD1 . PHE B 38 ? 0.2610 0.3872 0.4516 -0.0413 -0.0584 0.1447 55 PHE B CD1 3460 C CD2 . PHE B 38 ? 0.2195 0.3697 0.4619 -0.0349 -0.0568 0.1717 55 PHE B CD2 3461 C CE1 . PHE B 38 ? 0.2437 0.3564 0.4301 -0.0300 -0.0441 0.1415 55 PHE B CE1 3462 C CE2 . PHE B 38 ? 0.2266 0.3613 0.4639 -0.0234 -0.0410 0.1677 55 PHE B CE2 3463 C CZ . PHE B 38 ? 0.2160 0.3321 0.4241 -0.0215 -0.0353 0.1523 55 PHE B CZ 3464 N N A MET B 39 ? 0.3370 0.5283 0.5505 -0.0854 -0.1216 0.1748 56 MET B N 3465 N N B MET B 39 ? 0.1908 0.3821 0.4042 -0.0855 -0.1217 0.1748 56 MET B N 3466 C CA A MET B 39 ? 0.4112 0.6118 0.6149 -0.1017 -0.1386 0.1742 56 MET B CA 3467 C CA B MET B 39 ? 0.1939 0.3942 0.3970 -0.1018 -0.1386 0.1739 56 MET B CA 3468 C C A MET B 39 ? 0.3685 0.5623 0.5397 -0.1071 -0.1454 0.1667 56 MET B C 3469 C C B MET B 39 ? 0.1427 0.3359 0.3133 -0.1069 -0.1451 0.1664 56 MET B C 3470 O O A MET B 39 ? 0.5818 0.7686 0.7285 -0.1185 -0.1517 0.1553 56 MET B O 3471 O O B MET B 39 ? 0.1657 0.3512 0.3112 -0.1178 -0.1508 0.1544 56 MET B O 3472 C CB A MET B 39 ? 0.4506 0.6765 0.6857 -0.1072 -0.1510 0.1934 56 MET B CB 3473 C CB B MET B 39 ? 0.1962 0.4218 0.4303 -0.1075 -0.1512 0.1929 56 MET B CB 3474 C CG A MET B 39 ? 0.5262 0.7606 0.7920 -0.1070 -0.1475 0.1995 56 MET B CG 3475 C CG B MET B 39 ? 0.2477 0.4814 0.5143 -0.1050 -0.1458 0.1999 56 MET B CG 3476 S SD A MET B 39 ? 0.6745 0.9412 0.9783 -0.1163 -0.1648 0.2221 56 MET B SD 3477 S SD B MET B 39 ? 0.2568 0.5226 0.5656 -0.1108 -0.1601 0.2244 56 MET B SD 3478 C CE A MET B 39 ? 0.4555 0.7321 0.7784 -0.1029 -0.1617 0.2396 56 MET B CE 3479 C CE B MET B 39 ? 0.2829 0.5560 0.5751 -0.1340 -0.1811 0.2184 56 MET B CE 3480 N N . GLU B 40 ? 0.2136 0.4080 0.3847 -0.0990 -0.1428 0.1731 57 GLU B N 3481 C CA . GLU B 40 ? 0.2869 0.4749 0.4286 -0.1029 -0.1477 0.1674 57 GLU B CA 3482 C C . GLU B 40 ? 0.2621 0.4276 0.3742 -0.1010 -0.1378 0.1477 57 GLU B C 3483 O O . GLU B 40 ? 0.2979 0.4565 0.3825 -0.1099 -0.1430 0.1381 57 GLU B O 3484 C CB . GLU B 40 ? 0.2793 0.4723 0.4306 -0.0936 -0.1455 0.1794 57 GLU B CB 3485 C CG . GLU B 40 ? 0.2713 0.4882 0.4476 -0.0979 -0.1588 0.2002 57 GLU B CG 3486 C CD . GLU B 40 ? 0.4198 0.6416 0.6086 -0.0881 -0.1559 0.2138 57 GLU B CD 3487 O OE1 . GLU B 40 ? 0.3754 0.5818 0.5501 -0.0797 -0.1449 0.2063 57 GLU B OE1 3488 O OE2 . GLU B 40 ? 0.3892 0.6309 0.6031 -0.0893 -0.1651 0.2328 57 GLU B OE2 3489 N N . MET B 41 ? 0.2962 0.4503 0.4139 -0.0897 -0.1234 0.1419 58 MET B N 3490 C CA . MET B 41 ? 0.2785 0.4133 0.3721 -0.0875 -0.1145 0.1250 58 MET B CA 3491 C C . MET B 41 ? 0.2334 0.3629 0.3157 -0.0975 -0.1177 0.1146 58 MET B C 3492 O O . MET B 41 ? 0.2612 0.3782 0.3181 -0.1017 -0.1167 0.1019 58 MET B O 3493 C CB . MET B 41 ? 0.2872 0.4119 0.3892 -0.0738 -0.0995 0.1224 58 MET B CB 3494 C CG . MET B 41 ? 0.3616 0.4860 0.4698 -0.0637 -0.0938 0.1290 58 MET B CG 3495 S SD . MET B 41 ? 0.2722 0.3892 0.3538 -0.0650 -0.0958 0.1230 58 MET B SD 3496 C CE . MET B 41 ? 0.2766 0.3987 0.3788 -0.0543 -0.0904 0.1367 58 MET B CE 3497 N N . ALA B 42 ? 0.2579 0.3965 0.3601 -0.1015 -0.1210 0.1204 59 ALA B N 3498 C CA . ALA B 42 ? 0.2341 0.3686 0.3281 -0.1127 -0.1250 0.1117 59 ALA B CA 3499 C C . ALA B 42 ? 0.2701 0.4057 0.3416 -0.1270 -0.1374 0.1075 59 ALA B C 3500 O O . ALA B 42 ? 0.3237 0.4454 0.3720 -0.1333 -0.1357 0.0936 59 ALA B O 3501 C CB . ALA B 42 ? 0.2602 0.4073 0.3828 -0.1155 -0.1279 0.1211 59 ALA B CB 3502 N N . ASP B 43 ? 0.3272 0.4789 0.4047 -0.1322 -0.1495 0.1197 60 ASP B N 3503 C CA . ASP B 43 ? 0.3101 0.4627 0.3631 -0.1463 -0.1616 0.1164 60 ASP B CA 3504 C C . ASP B 43 ? 0.2378 0.3728 0.2595 -0.1443 -0.1547 0.1034 60 ASP B C 3505 O O . ASP B 43 ? 0.3401 0.4643 0.3358 -0.1549 -0.1568 0.0914 60 ASP B O 3506 C CB . ASP B 43 ? 0.3381 0.5111 0.4024 -0.1501 -0.1751 0.1336 60 ASP B CB 3507 C CG . ASP B 43 ? 0.4337 0.6268 0.5290 -0.1553 -0.1849 0.1475 60 ASP B CG 3508 O OD1 . ASP B 43 ? 0.3942 0.5850 0.4969 -0.1602 -0.1838 0.1421 60 ASP B OD1 3509 O OD2 . ASP B 43 ? 0.4293 0.6409 0.5428 -0.1545 -0.1937 0.1646 60 ASP B OD2 3510 N N . ARG B 44 ? 0.3016 0.4325 0.3261 -0.1306 -0.1451 0.1051 61 ARG B N 3511 C CA . ARG B 44 ? 0.2969 0.4126 0.2958 -0.1276 -0.1378 0.0940 61 ARG B CA 3512 C C . ARG B 44 ? 0.2601 0.3581 0.2463 -0.1270 -0.1279 0.0779 61 ARG B C 3513 O O . ARG B 44 ? 0.3284 0.4142 0.2893 -0.1324 -0.1258 0.0666 61 ARG B O 3514 C CB . ARG B 44 ? 0.3546 0.4702 0.3621 -0.1136 -0.1299 0.0997 61 ARG B CB 3515 C CG . ARG B 44 ? 0.3064 0.4379 0.3263 -0.1131 -0.1383 0.1161 61 ARG B CG 3516 C CD . ARG B 44 ? 0.2913 0.4221 0.2883 -0.1191 -0.1439 0.1164 61 ARG B CD 3517 N NE . ARG B 44 ? 0.4985 0.6247 0.4692 -0.1337 -0.1513 0.1076 61 ARG B NE 3518 C CZ . ARG B 44 ? 0.5097 0.6471 0.4791 -0.1469 -0.1654 0.1134 61 ARG B CZ 3519 N NH1 . ARG B 44 ? 0.5854 0.7416 0.5816 -0.1471 -0.1744 0.1293 61 ARG B NH1 3520 N NH2 . ARG B 44 ? 0.4195 0.5489 0.3607 -0.1605 -0.1702 0.1030 61 ARG B NH2 3521 N N . MET B 45 ? 0.3071 0.4032 0.3109 -0.1205 -0.1211 0.0774 62 MET B N 3522 C CA . MET B 45 ? 0.2994 0.3795 0.2940 -0.1192 -0.1117 0.0640 62 MET B CA 3523 C C . MET B 45 ? 0.3014 0.3759 0.2809 -0.1340 -0.1172 0.0555 62 MET B C 3524 O O . MET B 45 ? 0.3097 0.3685 0.2696 -0.1360 -0.1108 0.0427 62 MET B O 3525 C CB . MET B 45 ? 0.2643 0.3441 0.2807 -0.1094 -0.1036 0.0668 62 MET B CB 3526 C CG . MET B 45 ? 0.2892 0.3695 0.3149 -0.0953 -0.0959 0.0719 62 MET B CG 3527 S SD . MET B 45 ? 0.2764 0.3536 0.3221 -0.0844 -0.0852 0.0741 62 MET B SD 3528 C CE . MET B 45 ? 0.2891 0.3472 0.3167 -0.0824 -0.0761 0.0590 62 MET B CE 3529 N N . ALA B 46 ? 0.3089 0.3963 0.2969 -0.1449 -0.1293 0.0628 63 ALA B N 3530 C CA . ALA B 46 ? 0.3966 0.4790 0.3702 -0.1610 -0.1359 0.0549 63 ALA B CA 3531 C C . ALA B 46 ? 0.3602 0.4364 0.3027 -0.1713 -0.1410 0.0483 63 ALA B C 3532 O O . ALA B 46 ? 0.4987 0.5603 0.4197 -0.1810 -0.1389 0.0353 63 ALA B O 3533 C CB . ALA B 46 ? 0.3876 0.4874 0.3817 -0.1703 -0.1484 0.0658 63 ALA B CB 3534 N N . GLN B 47 ? 0.3191 0.4055 0.2590 -0.1694 -0.1468 0.0573 64 GLN B N 3535 C CA . GLN B 47 ? 0.4145 0.4980 0.3254 -0.1803 -0.1536 0.0541 64 GLN B CA 3536 C C . GLN B 47 ? 0.4321 0.5008 0.3218 -0.1737 -0.1424 0.0450 64 GLN B C 3537 O O . GLN B 47 ? 0.4339 0.4927 0.2949 -0.1833 -0.1430 0.0366 64 GLN B O 3538 C CB . GLN B 47 ? 0.4413 0.5454 0.3606 -0.1834 -0.1676 0.0708 64 GLN B CB 3539 C CG . GLN B 47 ? 0.5585 0.6797 0.4951 -0.1940 -0.1821 0.0808 64 GLN B CG 3540 C CD . GLN B 47 ? 0.5536 0.6963 0.5020 -0.1952 -0.1955 0.0995 64 GLN B CD 3541 O OE1 . GLN B 47 ? 0.5503 0.6919 0.4797 -0.1957 -0.1975 0.1014 64 GLN B OE1 3542 N NE2 . GLN B 47 ? 0.6444 0.8052 0.6223 -0.1953 -0.2035 0.1129 64 GLN B NE2 3543 N N . ASP B 48 ? 0.3527 0.4197 0.2559 -0.1578 -0.1319 0.0466 65 ASP B N 3544 C CA . ASP B 48 ? 0.4024 0.4596 0.2901 -0.1512 -0.1230 0.0414 65 ASP B CA 3545 C C . ASP B 48 ? 0.3933 0.4327 0.2752 -0.1447 -0.1085 0.0277 65 ASP B C 3546 O O . ASP B 48 ? 0.3892 0.4226 0.2669 -0.1359 -0.0998 0.0248 65 ASP B O 3547 C CB . ASP B 48 ? 0.3763 0.4441 0.2818 -0.1386 -0.1221 0.0533 65 ASP B CB 3548 C CG . ASP B 48 ? 0.5551 0.6396 0.4653 -0.1436 -0.1350 0.0679 65 ASP B CG 3549 O OD1 . ASP B 48 ? 0.4595 0.5492 0.3586 -0.1575 -0.1465 0.0696 65 ASP B OD1 3550 O OD2 . ASP B 48 ? 0.3759 0.4683 0.3012 -0.1338 -0.1338 0.0782 65 ASP B OD2 3551 N N . GLY B 49 ? 0.3856 0.4173 0.2688 -0.1490 -0.1061 0.0201 66 GLY B N 3552 C CA . GLY B 49 ? 0.4028 0.4168 0.2790 -0.1447 -0.0929 0.0073 66 GLY B CA 3553 C C . GLY B 49 ? 0.4211 0.4347 0.3193 -0.1317 -0.0852 0.0089 66 GLY B C 3554 O O . GLY B 49 ? 0.3909 0.3913 0.2872 -0.1281 -0.0753 0.0002 66 GLY B O 3555 N N . TRP B 50 ? 0.3323 0.3596 0.2511 -0.1244 -0.0891 0.0205 67 TRP B N 3556 C CA . TRP B 50 ? 0.3083 0.3345 0.2450 -0.1114 -0.0812 0.0224 67 TRP B CA 3557 C C . TRP B 50 ? 0.2991 0.3189 0.2433 -0.1132 -0.0778 0.0181 67 TRP B C 3558 O O . TRP B 50 ? 0.3162 0.3254 0.2614 -0.1061 -0.0681 0.0124 67 TRP B O 3559 C CB . TRP B 50 ? 0.2577 0.2986 0.2141 -0.1047 -0.0854 0.0355 67 TRP B CB 3560 C CG . TRP B 50 ? 0.2437 0.2899 0.1948 -0.1020 -0.0877 0.0403 67 TRP B CG 3561 C CD1 . TRP B 50 ? 0.2903 0.3481 0.2411 -0.1078 -0.0974 0.0491 67 TRP B CD1 3562 C CD2 . TRP B 50 ? 0.2573 0.2976 0.2034 -0.0930 -0.0801 0.0374 67 TRP B CD2 3563 N NE1 . TRP B 50 ? 0.2561 0.3143 0.2013 -0.1026 -0.0955 0.0515 67 TRP B NE1 3564 C CE2 . TRP B 50 ? 0.2485 0.2961 0.1911 -0.0938 -0.0848 0.0440 67 TRP B CE2 3565 C CE3 . TRP B 50 ? 0.2840 0.3141 0.2290 -0.0848 -0.0702 0.0303 67 TRP B CE3 3566 C CZ2 . TRP B 50 ? 0.2786 0.3228 0.2169 -0.0869 -0.0794 0.0431 67 TRP B CZ2 3567 C CZ3 . TRP B 50 ? 0.2851 0.3132 0.2262 -0.0783 -0.0659 0.0297 67 TRP B CZ3 3568 C CH2 . TRP B 50 ? 0.2670 0.3017 0.2048 -0.0796 -0.0702 0.0356 67 TRP B CH2 3569 N N . ARG B 51 ? 0.3151 0.3418 0.2657 -0.1228 -0.0860 0.0219 68 ARG B N 3570 C CA . ARG B 51 ? 0.3273 0.3483 0.2861 -0.1259 -0.0832 0.0185 68 ARG B CA 3571 C C . ARG B 51 ? 0.3726 0.3749 0.3133 -0.1304 -0.0757 0.0047 68 ARG B C 3572 O O . ARG B 51 ? 0.3874 0.3796 0.3334 -0.1249 -0.0666 0.0005 68 ARG B O 3573 C CB . ARG B 51 ? 0.3693 0.4018 0.3367 -0.1380 -0.0948 0.0244 68 ARG B CB 3574 C CG . ARG B 51 ? 0.3315 0.3580 0.3076 -0.1432 -0.0924 0.0209 68 ARG B CG 3575 C CD . ARG B 51 ? 0.3553 0.3911 0.3338 -0.1592 -0.1052 0.0238 68 ARG B CD 3576 N NE . ARG B 51 ? 0.4626 0.4911 0.4139 -0.1724 -0.1105 0.0150 68 ARG B NE 3577 C CZ . ARG B 51 ? 0.4307 0.4701 0.3760 -0.1859 -0.1246 0.0191 68 ARG B CZ 3578 N NH1 . ARG B 51 ? 0.5692 0.6289 0.5369 -0.1882 -0.1355 0.0328 68 ARG B NH1 3579 N NH2 . ARG B 51 ? 0.6592 0.6890 0.5756 -0.1977 -0.1277 0.0097 68 ARG B NH2 3580 N N . ASP B 52 ? 0.3804 0.3777 0.2995 -0.1403 -0.0789 -0.0016 69 ASP B N 3581 C CA . ASP B 52 ? 0.4645 0.4427 0.3653 -0.1457 -0.0707 -0.0152 69 ASP B CA 3582 C C . ASP B 52 ? 0.3935 0.3609 0.2943 -0.1324 -0.0573 -0.0199 69 ASP B C 3583 O O . ASP B 52 ? 0.4360 0.3877 0.3320 -0.1326 -0.0478 -0.0288 69 ASP B O 3584 C CB . ASP B 52 ? 0.5206 0.4952 0.3957 -0.1590 -0.0762 -0.0209 69 ASP B CB 3585 C CG . ASP B 52 ? 0.6043 0.5880 0.4776 -0.1748 -0.0904 -0.0174 69 ASP B CG 3586 O OD1 . ASP B 52 ? 0.5406 0.5299 0.4319 -0.1770 -0.0941 -0.0133 69 ASP B OD1 3587 O OD2 . ASP B 52 ? 0.6267 0.6123 0.4803 -0.1855 -0.0982 -0.0183 69 ASP B OD2 3588 N N . MET B 53 ? 0.3909 0.3668 0.2986 -0.1212 -0.0566 -0.0133 70 MET B N 3589 C CA . MET B 53 ? 0.3615 0.3301 0.2712 -0.1090 -0.0458 -0.0162 70 MET B CA 3590 C C . MET B 53 ? 0.3284 0.2986 0.2575 -0.0984 -0.0417 -0.0113 70 MET B C 3591 O O . MET B 53 ? 0.3797 0.3443 0.3118 -0.0888 -0.0337 -0.0129 70 MET B O 3592 C CB . MET B 53 ? 0.4306 0.4059 0.3359 -0.1036 -0.0468 -0.0127 70 MET B CB 3593 C CG . MET B 53 ? 0.3794 0.3508 0.2629 -0.1131 -0.0485 -0.0181 70 MET B CG 3594 S SD . MET B 53 ? 0.5123 0.4623 0.3785 -0.1176 -0.0361 -0.0325 70 MET B SD 3595 C CE . MET B 53 ? 0.4386 0.3850 0.3183 -0.1016 -0.0246 -0.0326 70 MET B CE 3596 N N . GLY B 54 ? 0.3199 0.2978 0.2620 -0.1004 -0.0472 -0.0049 71 GLY B N 3597 C CA . GLY B 54 ? 0.3538 0.3316 0.3122 -0.0917 -0.0425 -0.0005 71 GLY B CA 3598 C C . GLY B 54 ? 0.3761 0.3674 0.3491 -0.0854 -0.0466 0.0102 71 GLY B C 3599 O O . GLY B 54 ? 0.3253 0.3167 0.3107 -0.0791 -0.0428 0.0144 71 GLY B O 3600 N N . TYR B 55 ? 0.3133 0.3152 0.2847 -0.0867 -0.0534 0.0149 72 TYR B N 3601 C CA . TYR B 55 ? 0.2233 0.2370 0.2091 -0.0805 -0.0560 0.0253 72 TYR B CA 3602 C C . TYR B 55 ? 0.2888 0.3112 0.2884 -0.0871 -0.0618 0.0317 72 TYR B C 3603 O O . TYR B 55 ? 0.3063 0.3374 0.3051 -0.0959 -0.0707 0.0347 72 TYR B O 3604 C CB . TYR B 55 ? 0.2563 0.2777 0.2376 -0.0792 -0.0604 0.0291 72 TYR B CB 3605 C CG . TYR B 55 ? 0.2485 0.2634 0.2199 -0.0722 -0.0547 0.0243 72 TYR B CG 3606 C CD1 . TYR B 55 ? 0.2695 0.2849 0.2478 -0.0616 -0.0501 0.0277 72 TYR B CD1 3607 C CD2 . TYR B 55 ? 0.2460 0.2543 0.2014 -0.0766 -0.0537 0.0166 72 TYR B CD2 3608 C CE1 . TYR B 55 ? 0.2367 0.2474 0.2075 -0.0560 -0.0460 0.0238 72 TYR B CE1 3609 C CE2 . TYR B 55 ? 0.2460 0.2496 0.1953 -0.0700 -0.0483 0.0132 72 TYR B CE2 3610 C CZ . TYR B 55 ? 0.2642 0.2698 0.2221 -0.0600 -0.0452 0.0170 72 TYR B CZ 3611 O OH . TYR B 55 ? 0.2420 0.2442 0.1952 -0.0546 -0.0409 0.0139 72 TYR B OH 3612 N N . THR B 56 ? 0.2643 0.2852 0.2772 -0.0828 -0.0569 0.0345 73 THR B N 3613 C CA . THR B 56 ? 0.2803 0.3082 0.3080 -0.0897 -0.0611 0.0398 73 THR B CA 3614 C C . THR B 56 ? 0.2472 0.2861 0.2955 -0.0830 -0.0602 0.0513 73 THR B C 3615 O O . THR B 56 ? 0.3380 0.3873 0.4016 -0.0889 -0.0655 0.0582 73 THR B O 3616 C CB . THR B 56 ? 0.2970 0.3132 0.3250 -0.0924 -0.0554 0.0339 73 THR B CB 3617 O OG1 . THR B 56 ? 0.3002 0.3084 0.3295 -0.0806 -0.0454 0.0336 73 THR B OG1 3618 C CG2 . THR B 56 ? 0.3315 0.3365 0.3409 -0.1011 -0.0560 0.0225 73 THR B CG2 3619 N N . TYR B 57 ? 0.2490 0.2856 0.2982 -0.0711 -0.0532 0.0536 74 TYR B N 3620 C CA . TYR B 57 ? 0.2037 0.2480 0.2710 -0.0643 -0.0498 0.0637 74 TYR B CA 3621 C C . TYR B 57 ? 0.2216 0.2767 0.2940 -0.0626 -0.0545 0.0708 74 TYR B C 3622 O O . TYR B 57 ? 0.2534 0.3062 0.3128 -0.0606 -0.0558 0.0674 74 TYR B O 3623 C CB . TYR B 57 ? 0.2434 0.2779 0.3083 -0.0530 -0.0389 0.0627 74 TYR B CB 3624 C CG . TYR B 57 ? 0.2200 0.2458 0.2864 -0.0532 -0.0332 0.0600 74 TYR B CG 3625 C CD1 . TYR B 57 ? 0.2629 0.2923 0.3466 -0.0525 -0.0292 0.0670 74 TYR B CD1 3626 C CD2 . TYR B 57 ? 0.2550 0.2693 0.3072 -0.0541 -0.0312 0.0512 74 TYR B CD2 3627 C CE1 . TYR B 57 ? 0.2337 0.2546 0.3189 -0.0528 -0.0236 0.0652 74 TYR B CE1 3628 C CE2 . TYR B 57 ? 0.2390 0.2450 0.2937 -0.0541 -0.0256 0.0496 74 TYR B CE2 3629 C CZ . TYR B 57 ? 0.2343 0.2433 0.3047 -0.0535 -0.0219 0.0566 74 TYR B CZ 3630 O OH . TYR B 57 ? 0.2670 0.2671 0.3402 -0.0536 -0.0159 0.0556 74 TYR B OH 3631 N N . LEU B 58 ? 0.2163 0.2835 0.3096 -0.0632 -0.0566 0.0813 75 LEU B N 3632 C CA . LEU B 58 ? 0.2000 0.2780 0.3035 -0.0600 -0.0593 0.0906 75 LEU B CA 3633 C C . LEU B 58 ? 0.2197 0.2986 0.3412 -0.0506 -0.0494 0.0983 75 LEU B C 3634 O O . LEU B 58 ? 0.2292 0.3148 0.3696 -0.0525 -0.0485 0.1047 75 LEU B O 3635 C CB . LEU B 58 ? 0.2236 0.3170 0.3379 -0.0704 -0.0717 0.0980 75 LEU B CB 3636 C CG . LEU B 58 ? 0.2750 0.3817 0.4049 -0.0669 -0.0750 0.1104 75 LEU B CG 3637 C CD1 . LEU B 58 ? 0.3051 0.4089 0.4170 -0.0660 -0.0781 0.1072 75 LEU B CD1 3638 C CD2 . LEU B 58 ? 0.3131 0.4377 0.4624 -0.0763 -0.0862 0.1210 75 LEU B CD2 3639 N N . ASN B 59 ? 0.2253 0.2966 0.3404 -0.0408 -0.0412 0.0972 76 ASN B N 3640 C CA . ASN B 59 ? 0.1769 0.2435 0.3019 -0.0316 -0.0291 0.1013 76 ASN B CA 3641 C C . ASN B 59 ? 0.2269 0.2985 0.3656 -0.0250 -0.0247 0.1102 76 ASN B C 3642 O O . ASN B 59 ? 0.2529 0.3218 0.3822 -0.0222 -0.0253 0.1086 76 ASN B O 3643 C CB . ASN B 59 ? 0.2109 0.2610 0.3161 -0.0255 -0.0206 0.0920 76 ASN B CB 3644 C CG . ASN B 59 ? 0.2174 0.2614 0.3129 -0.0301 -0.0222 0.0847 76 ASN B CG 3645 O OD1 . ASN B 59 ? 0.2467 0.2969 0.3497 -0.0381 -0.0283 0.0856 76 ASN B OD1 3646 N ND2 . ASN B 59 ? 0.2125 0.2439 0.2910 -0.0255 -0.0168 0.0775 76 ASN B ND2 3647 N N . ILE B 60 ? 0.2086 0.2872 0.3709 -0.0225 -0.0195 0.1201 77 ILE B N 3648 C CA . ILE B 60 ? 0.1712 0.2523 0.3499 -0.0146 -0.0112 0.1293 77 ILE B CA 3649 C C . ILE B 60 ? 0.2336 0.2972 0.3983 -0.0056 0.0029 0.1232 77 ILE B C 3650 O O . ILE B 60 ? 0.2241 0.2781 0.3779 -0.0047 0.0082 0.1172 77 ILE B O 3651 C CB . ILE B 60 ? 0.1878 0.2820 0.3987 -0.0148 -0.0087 0.1422 77 ILE B CB 3652 C CG1 . ILE B 60 ? 0.2245 0.3371 0.4491 -0.0256 -0.0245 0.1483 77 ILE B CG1 3653 C CG2 . ILE B 60 ? 0.1990 0.2949 0.4288 -0.0057 0.0018 0.1521 77 ILE B CG2 3654 C CD1 . ILE B 60 ? 0.2239 0.3489 0.4775 -0.0287 -0.0239 0.1583 77 ILE B CD1 3655 N N . ASP B 61 ? 0.2440 0.3027 0.4072 0.0006 0.0088 0.1247 78 ASP B N 3656 C CA . ASP B 61 ? 0.2045 0.2460 0.3535 0.0083 0.0223 0.1190 78 ASP B CA 3657 C C . ASP B 61 ? 0.2635 0.3050 0.4339 0.0156 0.0354 0.1288 78 ASP B C 3658 O O . ASP B 61 ? 0.2561 0.3103 0.4532 0.0151 0.0357 0.1396 78 ASP B O 3659 C CB . ASP B 61 ? 0.2402 0.2719 0.3653 0.0087 0.0197 0.1097 78 ASP B CB 3660 C CG . ASP B 61 ? 0.2460 0.2595 0.3479 0.0129 0.0289 0.1001 78 ASP B CG 3661 O OD1 . ASP B 61 ? 0.2245 0.2279 0.3245 0.0188 0.0402 0.1004 78 ASP B OD1 3662 O OD2 . ASP B 61 ? 0.2385 0.2476 0.3239 0.0101 0.0250 0.0926 78 ASP B OD2 3663 N N . ASP B 62 ? 0.2039 0.2308 0.3637 0.0222 0.0468 0.1253 79 ASP B N 3664 C CA . ASP B 62 ? 0.2494 0.2721 0.4267 0.0299 0.0625 0.1330 79 ASP B CA 3665 C C . ASP B 62 ? 0.2459 0.2841 0.4536 0.0311 0.0595 0.1465 79 ASP B C 3666 O O . ASP B 62 ? 0.2576 0.3072 0.4671 0.0261 0.0455 0.1484 79 ASP B O 3667 C CB . ASP B 62 ? 0.2397 0.2412 0.3940 0.0350 0.0742 0.1241 79 ASP B CB 3668 C CG . ASP B 62 ? 0.3110 0.3007 0.4730 0.0426 0.0942 0.1277 79 ASP B CG 3669 O OD1 . ASP B 62 ? 0.2780 0.2769 0.4679 0.0454 0.1005 0.1388 79 ASP B OD1 3670 O OD2 . ASP B 62 ? 0.2721 0.2424 0.4112 0.0454 0.1039 0.1189 79 ASP B OD2 3671 N N . CYS B 63 ? 0.2708 0.3098 0.5028 0.0377 0.0731 0.1564 80 CYS B N 3672 C CA . CYS B 63 ? 0.2492 0.3015 0.5140 0.0412 0.0742 0.1712 80 CYS B CA 3673 C C . CYS B 63 ? 0.3557 0.4337 0.6501 0.0356 0.0607 0.1843 80 CYS B C 3674 O O . CYS B 63 ? 0.2783 0.3709 0.5960 0.0360 0.0550 0.1965 80 CYS B O 3675 C CB . CYS B 63 ? 0.3477 0.3957 0.6039 0.0423 0.0707 0.1697 80 CYS B CB 3676 S SG . CYS B 63 ? 0.3149 0.3329 0.5337 0.0463 0.0837 0.1528 80 CYS B SG 3677 N N . TRP B 64 ? 0.2476 0.3314 0.5423 0.0302 0.0560 0.1825 81 TRP B N 3678 C CA . TRP B 64 ? 0.2298 0.3375 0.5517 0.0233 0.0429 0.1940 81 TRP B CA 3679 C C . TRP B 64 ? 0.2288 0.3453 0.5869 0.0281 0.0545 0.2075 81 TRP B C 3680 O O . TRP B 64 ? 0.2301 0.3687 0.6187 0.0237 0.0451 0.2206 81 TRP B O 3681 C CB . TRP B 64 ? 0.2166 0.3266 0.5204 0.0130 0.0297 0.1847 81 TRP B CB 3682 C CG . TRP B 64 ? 0.2199 0.3170 0.5123 0.0144 0.0402 0.1771 81 TRP B CG 3683 C CD1 . TRP B 64 ? 0.2556 0.3324 0.5151 0.0165 0.0465 0.1631 81 TRP B CD1 3684 C CD2 . TRP B 64 ? 0.2223 0.3267 0.5366 0.0132 0.0451 0.1839 81 TRP B CD2 3685 N NE1 . TRP B 64 ? 0.2412 0.3117 0.4995 0.0172 0.0550 0.1613 81 TRP B NE1 3686 C CE2 . TRP B 64 ? 0.1943 0.2809 0.4859 0.0152 0.0548 0.1735 81 TRP B CE2 3687 C CE3 . TRP B 64 ? 0.2823 0.4071 0.6341 0.0104 0.0417 0.1985 81 TRP B CE3 3688 C CZ2 . TRP B 64 ? 0.2678 0.3553 0.5722 0.0148 0.0625 0.1770 81 TRP B CZ2 3689 C CZ3 . TRP B 64 ? 0.2445 0.3708 0.6106 0.0096 0.0492 0.2016 81 TRP B CZ3 3690 C CH2 . TRP B 64 ? 0.2482 0.3553 0.5901 0.0121 0.0600 0.1908 81 TRP B CH2 3691 N N . ILE B 65 ? 0.2664 0.3656 0.6204 0.0367 0.0750 0.2043 82 ILE B N 3692 C CA . ILE B 65 ? 0.2880 0.3913 0.6697 0.0409 0.0886 0.2138 82 ILE B CA 3693 C C . ILE B 65 ? 0.2987 0.4111 0.7177 0.0490 0.0986 0.2299 82 ILE B C 3694 O O . ILE B 65 ? 0.2732 0.3740 0.6862 0.0559 0.1075 0.2288 82 ILE B O 3695 C CB . ILE B 65 ? 0.2263 0.3051 0.5845 0.0465 0.1078 0.2031 82 ILE B CB 3696 C CG1 . ILE B 65 ? 0.3105 0.3801 0.6325 0.0394 0.0982 0.1882 82 ILE B CG1 3697 C CG2 . ILE B 65 ? 0.2660 0.3491 0.6536 0.0507 0.1230 0.2136 82 ILE B CG2 3698 C CD1 . ILE B 65 ? 0.2995 0.3444 0.5919 0.0441 0.1140 0.1771 82 ILE B CD1 3699 N N . GLY B 66 ? 0.2811 0.4143 0.7398 0.0478 0.0972 0.2452 83 GLY B N 3700 C CA . GLY B 66 ? 0.2604 0.4044 0.7613 0.0562 0.1083 0.2630 83 GLY B CA 3701 C C . GLY B 66 ? 0.3019 0.4306 0.8119 0.0663 0.1356 0.2642 83 GLY B C 3702 O O . GLY B 66 ? 0.3913 0.5114 0.9148 0.0767 0.1532 0.2700 83 GLY B O 3703 N N . GLY B 67 ? 0.3118 0.4364 0.8148 0.0632 0.1399 0.2592 84 GLY B N 3704 C CA . GLY B 67 ? 0.3503 0.4612 0.8613 0.0717 0.1658 0.2607 84 GLY B CA 3705 C C . GLY B 67 ? 0.2955 0.4103 0.8065 0.0655 0.1642 0.2590 84 GLY B C 3706 O O . GLY B 67 ? 0.3273 0.4503 0.8246 0.0549 0.1442 0.2531 84 GLY B O 3707 N N . ARG B 68 ? 0.2806 0.3882 0.8067 0.0722 0.1865 0.2640 85 ARG B N 3708 C CA . ARG B 68 ? 0.3086 0.4218 0.8435 0.0673 0.1877 0.2659 85 ARG B CA 3709 C C . ARG B 68 ? 0.3446 0.4815 0.9372 0.0697 0.1935 0.2866 85 ARG B C 3710 O O . ARG B 68 ? 0.3362 0.4725 0.9539 0.0799 0.2102 0.2967 85 ARG B O 3711 C CB . ARG B 68 ? 0.3287 0.4133 0.8317 0.0726 0.2095 0.2548 85 ARG B CB 3712 C CG . ARG B 68 ? 0.3464 0.4109 0.7945 0.0684 0.2011 0.2353 85 ARG B CG 3713 C CD . ARG B 68 ? 0.3467 0.3853 0.7645 0.0725 0.2209 0.2263 85 ARG B CD 3714 N NE . ARG B 68 ? 0.3386 0.3590 0.7057 0.0689 0.2125 0.2092 85 ARG B NE 3715 C CZ . ARG B 68 ? 0.3634 0.3869 0.7125 0.0604 0.1961 0.2023 85 ARG B CZ 3716 N NH1 . ARG B 68 ? 0.3672 0.4100 0.7423 0.0536 0.1857 0.2098 85 ARG B NH1 3717 N NH2 . ARG B 68 ? 0.3639 0.3711 0.6696 0.0584 0.1900 0.1879 85 ARG B NH2 3718 N N . ASP B 69 ? 0.2906 0.4486 0.9054 0.0601 0.1796 0.2933 86 ASP B N 3719 C CA . ASP B 69 ? 0.3620 0.5458 1.0340 0.0606 0.1823 0.3137 86 ASP B CA 3720 C C . ASP B 69 ? 0.3467 0.5188 1.0331 0.0693 0.2116 0.3182 86 ASP B C 3721 O O . ASP B 69 ? 0.2582 0.4015 0.9076 0.0749 0.2293 0.3054 86 ASP B O 3722 C CB . ASP B 69 ? 0.3582 0.5684 1.0479 0.0456 0.1562 0.3186 86 ASP B CB 3723 C CG . ASP B 69 ? 0.3897 0.5915 1.0616 0.0383 0.1567 0.3094 86 ASP B CG 3724 O OD1 . ASP B 69 ? 0.3346 0.5121 0.9828 0.0449 0.1772 0.3009 86 ASP B OD1 3725 O OD2 . ASP B 69 ? 0.3716 0.5911 1.0532 0.0253 0.1362 0.3109 86 ASP B OD2 3726 N N . ALA B 70 ? 0.3527 0.5474 1.0925 0.0700 0.2167 0.3369 87 ALA B N 3727 C CA . ALA B 70 ? 0.3271 0.5130 1.0868 0.0789 0.2460 0.3436 87 ALA B CA 3728 C C . ALA B 70 ? 0.3636 0.5324 1.0937 0.0746 0.2530 0.3321 87 ALA B C 3729 O O . ALA B 70 ? 0.3163 0.4693 1.0473 0.0825 0.2798 0.3332 87 ALA B O 3730 C CB . ALA B 70 ? 0.3562 0.5738 1.1835 0.0791 0.2468 0.3672 87 ALA B CB 3731 N N . SER B 71 ? 0.2907 0.4627 0.9957 0.0622 0.2297 0.3218 88 SER B N 3732 C CA . SER B 71 ? 0.2924 0.4486 0.9675 0.0573 0.2332 0.3108 88 SER B CA 3733 C C . SER B 71 ? 0.3414 0.4688 0.9538 0.0581 0.2317 0.2902 88 SER B C 3734 O O . SER B 71 ? 0.3437 0.4576 0.9275 0.0539 0.2322 0.2805 88 SER B O 3735 C CB . SER B 71 ? 0.3694 0.5477 1.0612 0.0424 0.2096 0.3136 88 SER B CB 3736 O OG . SER B 71 ? 0.4120 0.6175 1.1623 0.0405 0.2105 0.3330 88 SER B OG 3737 N N . GLY B 72 ? 0.3299 0.4487 0.9228 0.0632 0.2298 0.2843 89 GLY B N 3738 C CA . GLY B 72 ? 0.3792 0.4724 0.9153 0.0639 0.2278 0.2656 89 GLY B CA 3739 C C . GLY B 72 ? 0.2843 0.3839 0.7972 0.0533 0.1994 0.2557 89 GLY B C 3740 O O . GLY B 72 ? 0.3445 0.4249 0.8125 0.0530 0.1961 0.2408 89 GLY B O 3741 N N . ARG B 73 ? 0.3522 0.4784 0.8951 0.0441 0.1791 0.2641 90 ARG B N 3742 C CA . ARG B 73 ? 0.2739 0.4065 0.7962 0.0328 0.1528 0.2550 90 ARG B CA 3743 C C . ARG B 73 ? 0.2952 0.4297 0.8068 0.0345 0.1419 0.2522 90 ARG B C 3744 O O . ARG B 73 ? 0.2584 0.4073 0.8013 0.0385 0.1426 0.2646 90 ARG B O 3745 C CB . ARG B 73 ? 0.3603 0.5195 0.9172 0.0211 0.1358 0.2646 90 ARG B CB 3746 C CG . ARG B 73 ? 0.3907 0.5564 0.9281 0.0079 0.1095 0.2554 90 ARG B CG 3747 C CD . ARG B 73 ? 0.5337 0.7273 1.1108 -0.0038 0.0940 0.2673 90 ARG B CD 3748 N NE . ARG B 73 ? 0.4150 0.6134 0.9746 -0.0181 0.0708 0.2583 90 ARG B NE 3749 C CZ . ARG B 73 ? 0.4592 0.6454 0.9964 -0.0246 0.0690 0.2473 90 ARG B CZ 3750 N NH1 . ARG B 73 ? 0.3980 0.5666 0.9255 -0.0183 0.0879 0.2442 90 ARG B NH1 3751 N NH2 . ARG B 73 ? 0.4045 0.5949 0.9276 -0.0376 0.0486 0.2395 90 ARG B NH2 3752 N N . LEU B 74 ? 0.2909 0.4110 0.7595 0.0317 0.1321 0.2367 91 LEU B N 3753 C CA . LEU B 74 ? 0.2273 0.3484 0.6829 0.0322 0.1210 0.2330 91 LEU B CA 3754 C C . LEU B 74 ? 0.2681 0.4169 0.7541 0.0244 0.1008 0.2440 91 LEU B C 3755 O O . LEU B 74 ? 0.2521 0.4161 0.7511 0.0139 0.0869 0.2468 91 LEU B O 3756 C CB . LEU B 74 ? 0.2729 0.3779 0.6810 0.0279 0.1108 0.2152 91 LEU B CB 3757 C CG . LEU B 74 ? 0.2666 0.3434 0.6377 0.0354 0.1273 0.2034 91 LEU B CG 3758 C CD1 . LEU B 74 ? 0.2946 0.3602 0.6254 0.0293 0.1150 0.1880 91 LEU B CD1 3759 C CD2 . LEU B 74 ? 0.2878 0.3545 0.6536 0.0444 0.1380 0.2031 91 LEU B CD2 3760 N N . MET B 75 ? 0.2468 0.4015 0.7436 0.0293 0.0994 0.2503 92 MET B N 3761 C CA . MET B 75 ? 0.2676 0.4472 0.7876 0.0226 0.0792 0.2607 92 MET B CA 3762 C C . MET B 75 ? 0.2527 0.4238 0.7436 0.0236 0.0709 0.2523 92 MET B C 3763 O O . MET B 75 ? 0.2087 0.3610 0.6836 0.0334 0.0858 0.2470 92 MET B O 3764 C CB . MET B 75 ? 0.3147 0.5124 0.8843 0.0292 0.0872 0.2812 92 MET B CB 3765 C CG . MET B 75 ? 0.3669 0.5716 0.9704 0.0314 0.1013 0.2915 92 MET B CG 3766 S SD . MET B 75 ? 0.3392 0.5637 1.0022 0.0415 0.1133 0.3161 92 MET B SD 3767 C CE . MET B 75 ? 0.2756 0.4693 0.9159 0.0579 0.1400 0.3087 92 MET B CE 3768 N N . PRO B 76 ? 0.2500 0.4345 0.7346 0.0131 0.0477 0.2513 93 PRO B N 3769 C CA . PRO B 76 ? 0.2196 0.3991 0.6831 0.0143 0.0403 0.2465 93 PRO B CA 3770 C C . PRO B 76 ? 0.2680 0.4609 0.7651 0.0213 0.0433 0.2635 93 PRO B C 3771 O O . PRO B 76 ? 0.2513 0.4624 0.7898 0.0225 0.0457 0.2799 93 PRO B O 3772 C CB . PRO B 76 ? 0.2106 0.4019 0.6607 0.0002 0.0156 0.2421 93 PRO B CB 3773 C CG . PRO B 76 ? 0.2727 0.4863 0.7571 -0.0076 0.0077 0.2542 93 PRO B CG 3774 C CD . PRO B 76 ? 0.2649 0.4692 0.7612 -0.0007 0.0280 0.2548 93 PRO B CD 3775 N N . ASP B 77 ? 0.2419 0.4257 0.7232 0.0261 0.0439 0.2604 94 ASP B N 3776 C CA . ASP B 77 ? 0.2061 0.4018 0.7183 0.0329 0.0461 0.2769 94 ASP B CA 3777 C C . ASP B 77 ? 0.2702 0.4972 0.8120 0.0234 0.0244 0.2927 94 ASP B C 3778 O O . ASP B 77 ? 0.2980 0.5319 0.8203 0.0125 0.0039 0.2877 94 ASP B O 3779 C CB . ASP B 77 ? 0.2740 0.4544 0.7597 0.0372 0.0472 0.2693 94 ASP B CB 3780 C CG . ASP B 77 ? 0.3389 0.5266 0.8555 0.0462 0.0540 0.2856 94 ASP B CG 3781 O OD1 . ASP B 77 ? 0.4174 0.6307 0.9658 0.0427 0.0407 0.3028 94 ASP B OD1 3782 O OD2 . ASP B 77 ? 0.3648 0.5321 0.8733 0.0565 0.0724 0.2813 94 ASP B OD2 3783 N N . PRO B 78 ? 0.2730 0.5192 0.8622 0.0271 0.0289 0.3121 95 PRO B N 3784 C CA . PRO B 78 ? 0.3070 0.5849 0.9264 0.0167 0.0073 0.3279 95 PRO B CA 3785 C C . PRO B 78 ? 0.2786 0.5695 0.8982 0.0135 -0.0100 0.3366 95 PRO B C 3786 O O . PRO B 78 ? 0.3238 0.6362 0.9488 0.0009 -0.0332 0.3431 95 PRO B O 3787 C CB . PRO B 78 ? 0.3041 0.5972 0.9763 0.0242 0.0205 0.3474 95 PRO B CB 3788 C CG . PRO B 78 ? 0.3527 0.6231 1.0245 0.0407 0.0482 0.3453 95 PRO B CG 3789 C CD . PRO B 78 ? 0.3300 0.5694 0.9471 0.0409 0.0545 0.3206 95 PRO B CD 3790 N N . LYS B 79 ? 0.2358 0.5131 0.8484 0.0243 0.0012 0.3365 96 LYS B N 3791 C CA . LYS B 79 ? 0.3003 0.5865 0.9100 0.0226 -0.0130 0.3442 96 LYS B CA 3792 C C . LYS B 79 ? 0.2442 0.5200 0.8049 0.0123 -0.0282 0.3263 96 LYS B C 3793 O O . LYS B 79 ? 0.3084 0.5983 0.8649 0.0044 -0.0477 0.3326 96 LYS B O 3794 C CB . LYS B 79 ? 0.3598 0.6332 0.9798 0.0378 0.0059 0.3500 96 LYS B CB 3795 C CG . LYS B 79 ? 0.4192 0.7061 1.0931 0.0483 0.0197 0.3717 96 LYS B CG 3796 C CD . LYS B 79 ? 0.5338 0.8037 1.2155 0.0635 0.0412 0.3755 96 LYS B CD 3797 C CE . LYS B 79 ? 0.5645 0.8498 1.3038 0.0742 0.0547 0.3992 96 LYS B CE 3798 N NZ . LYS B 79 ? 0.4976 0.7621 1.2439 0.0896 0.0794 0.4013 96 LYS B NZ 3799 N N . ARG B 80 ? 0.2573 0.5084 0.7811 0.0127 -0.0190 0.3049 97 ARG B N 3800 C CA . ARG B 80 ? 0.2718 0.5109 0.7499 0.0045 -0.0303 0.2872 97 ARG B CA 3801 C C . ARG B 80 ? 0.2950 0.5381 0.7560 -0.0090 -0.0439 0.2769 97 ARG B C 3802 O O . ARG B 80 ? 0.2581 0.4997 0.6897 -0.0187 -0.0587 0.2674 97 ARG B O 3803 C CB . ARG B 80 ? 0.2478 0.4571 0.6954 0.0135 -0.0125 0.2706 97 ARG B CB 3804 C CG . ARG B 80 ? 0.2949 0.4983 0.7546 0.0250 -0.0011 0.2792 97 ARG B CG 3805 C CD . ARG B 80 ? 0.2778 0.4522 0.7053 0.0319 0.0139 0.2626 97 ARG B CD 3806 N NE . ARG B 80 ? 0.2622 0.4195 0.6904 0.0400 0.0353 0.2562 97 ARG B NE 3807 C CZ . ARG B 80 ? 0.3508 0.4907 0.7487 0.0382 0.0406 0.2387 97 ARG B CZ 3808 N NH1 . ARG B 80 ? 0.2695 0.4068 0.6358 0.0289 0.0267 0.2256 97 ARG B NH1 3809 N NH2 . ARG B 80 ? 0.2970 0.4216 0.6962 0.0458 0.0607 0.2348 97 ARG B NH2 3810 N N . PHE B 81 ? 0.2214 0.4689 0.7015 -0.0096 -0.0380 0.2791 98 PHE B N 3811 C CA . PHE B 81 ? 0.1786 0.4319 0.6502 -0.0228 -0.0503 0.2721 98 PHE B CA 3812 C C . PHE B 81 ? 0.2422 0.5220 0.7573 -0.0280 -0.0577 0.2901 98 PHE B C 3813 O O . PHE B 81 ? 0.2541 0.5339 0.7851 -0.0272 -0.0485 0.2905 98 PHE B O 3814 C CB . PHE B 81 ? 0.1936 0.4241 0.6430 -0.0195 -0.0354 0.2554 98 PHE B CB 3815 C CG . PHE B 81 ? 0.2495 0.4553 0.6575 -0.0151 -0.0290 0.2380 98 PHE B CG 3816 C CD1 . PHE B 81 ? 0.2050 0.4017 0.5777 -0.0242 -0.0391 0.2223 98 PHE B CD1 3817 C CD2 . PHE B 81 ? 0.2001 0.3914 0.6052 -0.0023 -0.0126 0.2374 98 PHE B CD2 3818 C CE1 . PHE B 81 ? 0.2337 0.4094 0.5710 -0.0202 -0.0336 0.2073 98 PHE B CE1 3819 C CE2 . PHE B 81 ? 0.2820 0.4515 0.6496 0.0006 -0.0079 0.2215 98 PHE B CE2 3820 C CZ . PHE B 81 ? 0.2141 0.3771 0.5494 -0.0081 -0.0188 0.2073 98 PHE B CZ 3821 N N . PRO B 82 ? 0.2768 0.5801 0.8125 -0.0336 -0.0744 0.3061 99 PRO B N 3822 C CA . PRO B 82 ? 0.2714 0.6028 0.8535 -0.0379 -0.0821 0.3260 99 PRO B CA 3823 C C . PRO B 82 ? 0.3209 0.6614 0.9048 -0.0526 -0.0936 0.3218 99 PRO B C 3824 O O . PRO B 82 ? 0.3097 0.6673 0.9331 -0.0535 -0.0920 0.3351 99 PRO B O 3825 C CB . PRO B 82 ? 0.2996 0.6524 0.8933 -0.0427 -0.1010 0.3418 99 PRO B CB 3826 C CG . PRO B 82 ? 0.3704 0.7067 0.9167 -0.0461 -0.1077 0.3265 99 PRO B CG 3827 C CD . PRO B 82 ? 0.3765 0.6821 0.8957 -0.0351 -0.0861 0.3082 99 PRO B CD 3828 N N . HIS B 83 ? 0.2080 0.5367 0.7513 -0.0640 -0.1041 0.3039 100 HIS B N 3829 C CA . HIS B 83 ? 0.2132 0.5483 0.7560 -0.0789 -0.1150 0.2987 100 HIS B CA 3830 C C . HIS B 83 ? 0.2439 0.5588 0.7780 -0.0742 -0.0969 0.2855 100 HIS B C 3831 O O . HIS B 83 ? 0.2419 0.5613 0.7825 -0.0845 -0.1017 0.2830 100 HIS B O 3832 C CB . HIS B 83 ? 0.2747 0.6074 0.7798 -0.0948 -0.1354 0.2867 100 HIS B CB 3833 C CG . HIS B 83 ? 0.3267 0.6819 0.8403 -0.1033 -0.1564 0.3009 100 HIS B CG 3834 N ND1 . HIS B 83 ? 0.4850 0.8632 1.0138 -0.1201 -0.1774 0.3098 100 HIS B ND1 3835 C CD2 . HIS B 83 ? 0.2815 0.6398 0.7898 -0.0977 -0.1601 0.3081 100 HIS B CD2 3836 C CE1 . HIS B 83 ? 0.5265 0.9215 1.0583 -0.1245 -0.1937 0.3224 100 HIS B CE1 3837 N NE2 . HIS B 83 ? 0.4721 0.8553 0.9921 -0.1107 -0.1831 0.3219 100 HIS B NE2 3838 N N . GLY B 84 ? 0.2919 0.5849 0.8115 -0.0593 -0.0765 0.2777 101 GLY B N 3839 C CA . GLY B 84 ? 0.2711 0.5437 0.7794 -0.0537 -0.0585 0.2657 101 GLY B CA 3840 C C . GLY B 84 ? 0.2101 0.4606 0.6712 -0.0589 -0.0609 0.2441 101 GLY B C 3841 O O . GLY B 84 ? 0.3059 0.5580 0.7445 -0.0688 -0.0772 0.2378 101 GLY B O 3842 N N . ILE B 85 ? 0.2605 0.4904 0.7066 -0.0522 -0.0444 0.2331 102 ILE B N 3843 C CA . ILE B 85 ? 0.1820 0.3904 0.5854 -0.0553 -0.0448 0.2136 102 ILE B CA 3844 C C . ILE B 85 ? 0.2161 0.4272 0.6126 -0.0706 -0.0574 0.2068 102 ILE B C 3845 O O . ILE B 85 ? 0.2714 0.4738 0.6369 -0.0778 -0.0668 0.1943 102 ILE B O 3846 C CB . ILE B 85 ? 0.2026 0.3878 0.5904 -0.0431 -0.0237 0.2048 102 ILE B CB 3847 C CG1 . ILE B 85 ? 0.2023 0.3809 0.5902 -0.0293 -0.0113 0.2084 102 ILE B CG1 3848 C CG2 . ILE B 85 ? 0.2517 0.4171 0.5995 -0.0465 -0.0251 0.1864 102 ILE B CG2 3849 C CD1 . ILE B 85 ? 0.2325 0.4090 0.5987 -0.0296 -0.0210 0.2039 102 ILE B CD1 3850 N N . PRO B 86 ? 0.2434 0.4660 0.6691 -0.0759 -0.0570 0.2149 103 PRO B N 3851 C CA . PRO B 86 ? 0.2419 0.4661 0.6603 -0.0917 -0.0695 0.2079 103 PRO B CA 3852 C C . PRO B 86 ? 0.2303 0.4651 0.6363 -0.1053 -0.0914 0.2064 103 PRO B C 3853 O O . PRO B 86 ? 0.2720 0.4959 0.6493 -0.1152 -0.0989 0.1925 103 PRO B O 3854 C CB . PRO B 86 ? 0.2742 0.5150 0.7341 -0.0955 -0.0675 0.2212 103 PRO B CB 3855 C CG . PRO B 86 ? 0.2444 0.4806 0.7216 -0.0788 -0.0465 0.2287 103 PRO B CG 3856 C CD . PRO B 86 ? 0.2155 0.4461 0.6782 -0.0677 -0.0429 0.2284 103 PRO B CD 3857 N N . PHE B 87 ? 0.2304 0.4856 0.6571 -0.1053 -0.1007 0.2208 104 PHE B N 3858 C CA . PHE B 87 ? 0.2961 0.5623 0.7103 -0.1174 -0.1216 0.2214 104 PHE B CA 3859 C C . PHE B 87 ? 0.2608 0.5072 0.6309 -0.1155 -0.1215 0.2057 104 PHE B C 3860 O O . PHE B 87 ? 0.2595 0.5025 0.6038 -0.1282 -0.1346 0.1962 104 PHE B O 3861 C CB . PHE B 87 ? 0.2278 0.5178 0.6731 -0.1138 -0.1283 0.2415 104 PHE B CB 3862 C CG . PHE B 87 ? 0.3773 0.6785 0.8083 -0.1244 -0.1489 0.2441 104 PHE B CG 3863 C CD1 . PHE B 87 ? 0.5035 0.8257 0.9475 -0.1416 -0.1695 0.2520 104 PHE B CD1 3864 C CD2 . PHE B 87 ? 0.4401 0.7312 0.8449 -0.1176 -0.1479 0.2394 104 PHE B CD2 3865 C CE1 . PHE B 87 ? 0.5927 0.9249 1.0212 -0.1520 -0.1888 0.2549 104 PHE B CE1 3866 C CE2 . PHE B 87 ? 0.4332 0.7343 0.8242 -0.1274 -0.1662 0.2426 104 PHE B CE2 3867 C CZ . PHE B 87 ? 0.4980 0.8195 0.8997 -0.1446 -0.1866 0.2504 104 PHE B CZ 3868 N N . LEU B 88 ? 0.2328 0.4653 0.5937 -0.0998 -0.1062 0.2027 105 LEU B N 3869 C CA . LEU B 88 ? 0.2657 0.4804 0.5882 -0.0968 -0.1050 0.1890 105 LEU B CA 3870 C C . LEU B 88 ? 0.2221 0.4166 0.5151 -0.1017 -0.1017 0.1707 105 LEU B C 3871 O O . LEU B 88 ? 0.2516 0.4368 0.5142 -0.1080 -0.1086 0.1593 105 LEU B O 3872 C CB . LEU B 88 ? 0.2748 0.4802 0.5971 -0.0797 -0.0895 0.1908 105 LEU B CB 3873 C CG . LEU B 88 ? 0.3058 0.4945 0.5926 -0.0755 -0.0877 0.1784 105 LEU B CG 3874 C CD1 . LEU B 88 ? 0.2785 0.4774 0.5550 -0.0841 -0.1043 0.1812 105 LEU B CD1 3875 C CD2 . LEU B 88 ? 0.2438 0.4230 0.5335 -0.0594 -0.0714 0.1805 105 LEU B CD2 3876 N N . ALA B 89 ? 0.2514 0.4386 0.5539 -0.0986 -0.0903 0.1685 106 ALA B N 3877 C CA . ALA B 89 ? 0.1954 0.3641 0.4743 -0.1028 -0.0865 0.1532 106 ALA B CA 3878 C C . ALA B 89 ? 0.2796 0.4533 0.5519 -0.1210 -0.1021 0.1485 106 ALA B C 3879 O O . ALA B 89 ? 0.2980 0.4569 0.5403 -0.1266 -0.1046 0.1344 106 ALA B O 3880 C CB . ALA B 89 ? 0.2542 0.4155 0.5473 -0.0958 -0.0712 0.1543 106 ALA B CB 3881 N N . ASP B 90 ? 0.3370 0.5311 0.6373 -0.1304 -0.1125 0.1603 107 ASP B N 3882 C CA . ASP B 90 ? 0.3085 0.5090 0.6026 -0.1496 -0.1294 0.1568 107 ASP B CA 3883 C C . ASP B 90 ? 0.3135 0.5114 0.5773 -0.1558 -0.1410 0.1501 107 ASP B C 3884 O O . ASP B 90 ? 0.3671 0.5531 0.6041 -0.1672 -0.1464 0.1367 107 ASP B O 3885 C CB . ASP B 90 ? 0.3135 0.5406 0.6447 -0.1586 -0.1412 0.1734 107 ASP B CB 3886 C CG . ASP B 90 ? 0.3748 0.6049 0.7360 -0.1568 -0.1315 0.1790 107 ASP B CG 3887 O OD1 . ASP B 90 ? 0.3573 0.5678 0.7077 -0.1510 -0.1171 0.1690 107 ASP B OD1 3888 O OD2 . ASP B 90 ? 0.4226 0.6755 0.8195 -0.1614 -0.1385 0.1944 107 ASP B OD2 3889 N N . TYR B 91 ? 0.3032 0.5115 0.5715 -0.1484 -0.1437 0.1597 108 TYR B N 3890 C CA . TYR B 91 ? 0.3274 0.5348 0.5688 -0.1536 -0.1544 0.1556 108 TYR B CA 3891 C C . TYR B 91 ? 0.3030 0.4851 0.5072 -0.1497 -0.1454 0.1374 108 TYR B C 3892 O O . TYR B 91 ? 0.3078 0.4815 0.4839 -0.1608 -0.1528 0.1264 108 TYR B O 3893 C CB . TYR B 91 ? 0.3129 0.5337 0.5680 -0.1436 -0.1556 0.1698 108 TYR B CB 3894 C CG . TYR B 91 ? 0.2560 0.4790 0.4867 -0.1504 -0.1682 0.1685 108 TYR B CG 3895 C CD1 . TYR B 91 ? 0.4297 0.6702 0.6630 -0.1664 -0.1879 0.1760 108 TYR B CD1 3896 C CD2 . TYR B 91 ? 0.2641 0.4724 0.4691 -0.1417 -0.1611 0.1605 108 TYR B CD2 3897 C CE1 . TYR B 91 ? 0.4807 0.7227 0.6893 -0.1731 -0.1994 0.1754 108 TYR B CE1 3898 C CE2 . TYR B 91 ? 0.3432 0.5532 0.5255 -0.1480 -0.1717 0.1597 108 TYR B CE2 3899 C CZ . TYR B 91 ? 0.3802 0.6067 0.5637 -0.1636 -0.1906 0.1673 108 TYR B CZ 3900 O OH . TYR B 91 ? 0.4094 0.6370 0.5685 -0.1701 -0.2009 0.1671 108 TYR B OH 3901 N N . VAL B 92 ? 0.3149 0.4850 0.5193 -0.1339 -0.1290 0.1346 109 VAL B N 3902 C CA . VAL B 92 ? 0.3339 0.4815 0.5083 -0.1282 -0.1192 0.1192 109 VAL B CA 3903 C C . VAL B 92 ? 0.2803 0.4139 0.4396 -0.1380 -0.1185 0.1059 109 VAL B C 3904 O O . VAL B 92 ? 0.2985 0.4188 0.4293 -0.1430 -0.1198 0.0934 109 VAL B O 3905 C CB . VAL B 92 ? 0.3418 0.4812 0.5231 -0.1105 -0.1027 0.1206 109 VAL B CB 3906 C CG1 . VAL B 92 ? 0.3838 0.5012 0.5386 -0.1053 -0.0927 0.1058 109 VAL B CG1 3907 C CG2 . VAL B 92 ? 0.3252 0.4736 0.5141 -0.1015 -0.1026 0.1306 109 VAL B CG2 3908 N N . HIS B 93 ? 0.2876 0.4238 0.4668 -0.1414 -0.1161 0.1088 110 HIS B N 3909 C CA . HIS B 93 ? 0.3331 0.4559 0.5006 -0.1517 -0.1153 0.0970 110 HIS B CA 3910 C C . HIS B 93 ? 0.3324 0.4568 0.4832 -0.1702 -0.1302 0.0909 110 HIS B C 3911 O O . HIS B 93 ? 0.4034 0.5103 0.5310 -0.1770 -0.1280 0.0767 110 HIS B O 3912 C CB . HIS B 93 ? 0.3338 0.4612 0.5288 -0.1530 -0.1109 0.1030 110 HIS B CB 3913 C CG . HIS B 93 ? 0.2785 0.3996 0.4849 -0.1365 -0.0943 0.1064 110 HIS B CG 3914 N ND1 . HIS B 93 ? 0.3666 0.4718 0.5534 -0.1239 -0.0832 0.0992 110 HIS B ND1 3915 C CD2 . HIS B 93 ? 0.2323 0.3604 0.4670 -0.1312 -0.0869 0.1164 110 HIS B CD2 3916 C CE1 . HIS B 93 ? 0.2609 0.3633 0.4613 -0.1121 -0.0703 0.1043 110 HIS B CE1 3917 N NE2 . HIS B 93 ? 0.4015 0.5171 0.6306 -0.1159 -0.0715 0.1147 110 HIS B NE2 3918 N N . SER B 94 ? 0.3535 0.4985 0.5159 -0.1785 -0.1450 0.1018 111 SER B N 3919 C CA . SER B 94 ? 0.3677 0.5158 0.5129 -0.1976 -0.1609 0.0972 111 SER B CA 3920 C C . SER B 94 ? 0.3797 0.5128 0.4869 -0.1988 -0.1609 0.0850 111 SER B C 3921 O O . SER B 94 ? 0.4118 0.5380 0.4957 -0.2141 -0.1690 0.0754 111 SER B O 3922 C CB . SER B 94 ? 0.4327 0.6081 0.5995 -0.2050 -0.1777 0.1140 111 SER B CB 3923 O OG . SER B 94 ? 0.4307 0.6140 0.5943 -0.1957 -0.1796 0.1218 111 SER B OG 3924 N N . LEU B 95 ? 0.3320 0.4595 0.4331 -0.1829 -0.1510 0.0850 112 LEU B N 3925 C CA . LEU B 95 ? 0.3604 0.4745 0.4290 -0.1815 -0.1489 0.0747 112 LEU B CA 3926 C C . LEU B 95 ? 0.3834 0.4735 0.4352 -0.1743 -0.1334 0.0599 112 LEU B C 3927 O O . LEU B 95 ? 0.4075 0.4859 0.4361 -0.1704 -0.1287 0.0518 112 LEU B O 3928 C CB . LEU B 95 ? 0.3513 0.4752 0.4248 -0.1693 -0.1485 0.0847 112 LEU B CB 3929 C CG . LEU B 95 ? 0.4881 0.6358 0.5775 -0.1750 -0.1637 0.1007 112 LEU B CG 3930 C CD1 . LEU B 95 ? 0.3842 0.5388 0.4815 -0.1606 -0.1598 0.1106 112 LEU B CD1 3931 C CD2 . LEU B 95 ? 0.4235 0.5726 0.4884 -0.1927 -0.1782 0.0965 112 LEU B CD2 3932 N N . GLY B 96 ? 0.3838 0.4671 0.4485 -0.1725 -0.1254 0.0574 113 GLY B N 3933 C CA . GLY B 96 ? 0.3763 0.4378 0.4284 -0.1654 -0.1110 0.0454 113 GLY B CA 3934 C C . GLY B 96 ? 0.3969 0.4550 0.4531 -0.1466 -0.0993 0.0481 113 GLY B C 3935 O O . GLY B 96 ? 0.3548 0.3968 0.3963 -0.1402 -0.0894 0.0388 113 GLY B O 3936 N N . LEU B 97 ? 0.2876 0.3609 0.3644 -0.1383 -0.1004 0.0610 114 LEU B N 3937 C CA . LEU B 97 ? 0.2956 0.3667 0.3765 -0.1217 -0.0902 0.0644 114 LEU B CA 3938 C C . LEU B 97 ? 0.3102 0.3833 0.4144 -0.1140 -0.0818 0.0713 114 LEU B C 3939 O O . LEU B 97 ? 0.2825 0.3617 0.4032 -0.1213 -0.0847 0.0753 114 LEU B O 3940 C CB . LEU B 97 ? 0.2699 0.3542 0.3541 -0.1176 -0.0959 0.0733 114 LEU B CB 3941 C CG . LEU B 97 ? 0.2941 0.3761 0.3542 -0.1238 -0.1030 0.0675 114 LEU B CG 3942 C CD1 . LEU B 97 ? 0.3226 0.4206 0.3907 -0.1218 -0.1106 0.0794 114 LEU B CD1 3943 C CD2 . LEU B 97 ? 0.2821 0.3465 0.3203 -0.1167 -0.0932 0.0558 114 LEU B CD2 3944 N N . LYS B 98 ? 0.2732 0.3408 0.3777 -0.0998 -0.0713 0.0725 115 LYS B N 3945 C CA . LYS B 98 ? 0.2258 0.2929 0.3477 -0.0911 -0.0614 0.0785 115 LYS B CA 3946 C C . LYS B 98 ? 0.2206 0.2968 0.3540 -0.0809 -0.0586 0.0883 115 LYS B C 3947 O O . LYS B 98 ? 0.2894 0.3649 0.4108 -0.0768 -0.0600 0.0868 115 LYS B O 3948 C CB . LYS B 98 ? 0.2664 0.3154 0.3745 -0.0840 -0.0504 0.0700 115 LYS B CB 3949 C CG . LYS B 98 ? 0.3932 0.4318 0.4928 -0.0936 -0.0512 0.0610 115 LYS B CG 3950 C CD . LYS B 98 ? 0.3827 0.4051 0.4747 -0.0861 -0.0398 0.0556 115 LYS B CD 3951 C CE . LYS B 98 ? 0.4410 0.4524 0.5294 -0.0952 -0.0388 0.0481 115 LYS B CE 3952 N NZ . LYS B 98 ? 0.6122 0.6300 0.7208 -0.1026 -0.0404 0.0539 115 LYS B NZ 3953 N N . LEU B 99 ? 0.2437 0.3276 0.4008 -0.0770 -0.0537 0.0984 116 LEU B N 3954 C CA . LEU B 99 ? 0.1961 0.2874 0.3664 -0.0671 -0.0490 0.1081 116 LEU B CA 3955 C C . LEU B 99 ? 0.2120 0.2912 0.3794 -0.0548 -0.0341 0.1071 116 LEU B C 3956 O O . LEU B 99 ? 0.2265 0.3011 0.4015 -0.0536 -0.0267 0.1081 116 LEU B O 3957 C CB . LEU B 99 ? 0.2385 0.3480 0.4399 -0.0704 -0.0529 0.1218 116 LEU B CB 3958 C CG . LEU B 99 ? 0.2172 0.3352 0.4352 -0.0608 -0.0481 0.1329 116 LEU B CG 3959 C CD1 . LEU B 99 ? 0.2160 0.3395 0.4244 -0.0618 -0.0571 0.1336 116 LEU B CD1 3960 C CD2 . LEU B 99 ? 0.2470 0.3824 0.5008 -0.0626 -0.0486 0.1475 116 LEU B CD2 3961 N N . GLY B 100 ? 0.1933 0.2670 0.3492 -0.0462 -0.0298 0.1056 117 GLY B N 3962 C CA . GLY B 100 ? 0.1833 0.2459 0.3346 -0.0351 -0.0163 0.1051 117 GLY B CA 3963 C C . GLY B 100 ? 0.2007 0.2701 0.3705 -0.0283 -0.0100 0.1155 117 GLY B C 3964 O O . GLY B 100 ? 0.2222 0.3036 0.4035 -0.0301 -0.0166 0.1219 117 GLY B O 3965 N N . ILE B 101 ? 0.2175 0.2789 0.3903 -0.0203 0.0034 0.1177 118 ILE B N 3966 C CA . ILE B 101 ? 0.2080 0.2723 0.3971 -0.0127 0.0128 0.1266 118 ILE B CA 3967 C C . ILE B 101 ? 0.2145 0.2616 0.3853 -0.0033 0.0261 0.1216 118 ILE B C 3968 O O . ILE B 101 ? 0.2368 0.2715 0.3838 -0.0029 0.0268 0.1123 118 ILE B O 3969 C CB . ILE B 101 ? 0.2128 0.2890 0.4337 -0.0141 0.0165 0.1383 118 ILE B CB 3970 C CG1 . ILE B 101 ? 0.2369 0.3241 0.4831 -0.0091 0.0207 0.1504 118 ILE B CG1 3971 C CG2 . ILE B 101 ? 0.2340 0.2989 0.4527 -0.0100 0.0298 0.1373 118 ILE B CG2 3972 C CD1 . ILE B 101 ? 0.2396 0.3456 0.5212 -0.0139 0.0172 0.1632 118 ILE B CD1 3973 N N . TYR B 102 ? 0.2154 0.2613 0.3971 0.0038 0.0369 0.1280 119 TYR B N 3974 C CA . TYR B 102 ? 0.2224 0.2514 0.3851 0.0118 0.0490 0.1229 119 TYR B CA 3975 C C . TYR B 102 ? 0.2835 0.3083 0.4609 0.0186 0.0658 0.1303 119 TYR B C 3976 O O . TYR B 102 ? 0.2564 0.2935 0.4634 0.0194 0.0683 0.1413 119 TYR B O 3977 C CB . TYR B 102 ? 0.2615 0.2901 0.4184 0.0138 0.0460 0.1213 119 TYR B CB 3978 C CG . TYR B 102 ? 0.2224 0.2345 0.3649 0.0216 0.0594 0.1177 119 TYR B CG 3979 C CD1 . TYR B 102 ? 0.2616 0.2607 0.3746 0.0218 0.0578 0.1068 119 TYR B CD1 3980 C CD2 . TYR B 102 ? 0.2662 0.2756 0.4249 0.0281 0.0739 0.1252 119 TYR B CD2 3981 C CE1 . TYR B 102 ? 0.2635 0.2468 0.3613 0.0274 0.0694 0.1026 119 TYR B CE1 3982 C CE2 . TYR B 102 ? 0.2457 0.2377 0.3888 0.0343 0.0871 0.1207 119 TYR B CE2 3983 C CZ . TYR B 102 ? 0.3056 0.2844 0.4171 0.0333 0.0842 0.1090 119 TYR B CZ 3984 O OH . TYR B 102 ? 0.2771 0.2380 0.3717 0.0380 0.0967 0.1039 119 TYR B OH 3985 N N . ALA B 103 ? 0.2758 0.2834 0.4324 0.0233 0.0773 0.1248 120 ALA B N 3986 C CA . ALA B 103 ? 0.3002 0.2991 0.4635 0.0303 0.0959 0.1298 120 ALA B CA 3987 C C . ALA B 103 ? 0.3073 0.2851 0.4376 0.0347 0.1048 0.1205 120 ALA B C 3988 O O . ALA B 103 ? 0.2844 0.2566 0.3901 0.0320 0.0957 0.1114 120 ALA B O 3989 C CB . ALA B 103 ? 0.2711 0.2725 0.4469 0.0292 0.1016 0.1352 120 ALA B CB 3990 N N . ASP B 104 ? 0.2883 0.2541 0.4178 0.0411 0.1228 0.1229 121 ASP B N 3991 C CA . ASP B 104 ? 0.2827 0.2270 0.3787 0.0442 0.1319 0.1139 121 ASP B CA 3992 C C . ASP B 104 ? 0.3847 0.3162 0.4715 0.0475 0.1478 0.1153 121 ASP B C 3993 O O . ASP B 104 ? 0.3364 0.2702 0.4459 0.0514 0.1610 0.1240 121 ASP B O 3994 C CB . ASP B 104 ? 0.3399 0.2770 0.4367 0.0485 0.1399 0.1130 121 ASP B CB 3995 C CG . ASP B 104 ? 0.3396 0.2541 0.3999 0.0499 0.1476 0.1024 121 ASP B CG 3996 O OD1 . ASP B 104 ? 0.3936 0.2932 0.4400 0.0529 0.1626 0.1014 121 ASP B OD1 3997 O OD2 . ASP B 104 ? 0.3536 0.2650 0.3987 0.0476 0.1390 0.0951 121 ASP B OD2 3998 N N . MET B 105 ? 0.3523 0.2712 0.4067 0.0460 0.1461 0.1076 122 MET B N 3999 C CA . MET B 105 ? 0.3888 0.2928 0.4261 0.0486 0.1603 0.1079 122 MET B CA 4000 C C . MET B 105 ? 0.4598 0.3442 0.4784 0.0530 0.1769 0.1039 122 MET B C 4001 O O . MET B 105 ? 0.4471 0.3173 0.4326 0.0516 0.1752 0.0946 122 MET B O 4002 C CB . MET B 105 ? 0.3967 0.2956 0.4060 0.0449 0.1502 0.1020 122 MET B CB 4003 C CG . MET B 105 ? 0.5126 0.3986 0.5048 0.0467 0.1620 0.1040 122 MET B CG 4004 S SD . MET B 105 ? 0.4782 0.3734 0.5044 0.0484 0.1728 0.1163 122 MET B SD 4005 C CE . MET B 105 ? 0.4511 0.3288 0.4716 0.0551 0.1990 0.1187 122 MET B CE 4006 N N . GLY B 106 ? 0.4292 0.3129 0.4705 0.0580 0.1931 0.1110 123 GLY B N 4007 C CA . GLY B 106 ? 0.4495 0.3144 0.4779 0.0626 0.2109 0.1075 123 GLY B CA 4008 C C . GLY B 106 ? 0.4166 0.2887 0.4834 0.0682 0.2241 0.1177 123 GLY B C 4009 O O . GLY B 106 ? 0.4147 0.3073 0.5173 0.0680 0.2190 0.1279 123 GLY B O 4010 N N . ASN B 107 ? 0.4819 0.3373 0.5419 0.0728 0.2412 0.1150 124 ASN B N 4011 C CA . ASN B 107 ? 0.5122 0.3714 0.6083 0.0795 0.2573 0.1252 124 ASN B CA 4012 C C . ASN B 107 ? 0.4452 0.3267 0.5775 0.0795 0.2443 0.1326 124 ASN B C 4013 O O . ASN B 107 ? 0.4756 0.3724 0.6489 0.0833 0.2496 0.1456 124 ASN B O 4014 C CB . ASN B 107 ? 0.5063 0.3389 0.5826 0.0841 0.2793 0.1188 124 ASN B CB 4015 C CG . ASN B 107 ? 0.6298 0.4403 0.6776 0.0855 0.2983 0.1150 124 ASN B CG 4016 O OD1 . ASN B 107 ? 0.5724 0.3884 0.6217 0.0846 0.2982 0.1197 124 ASN B OD1 4017 N ND2 . ASN B 107 ? 0.7861 0.5698 0.8060 0.0874 0.3153 0.1062 124 ASN B ND2 4018 N N . PHE B 108 ? 0.4156 0.2989 0.5329 0.0753 0.2277 0.1250 125 PHE B N 4019 C CA . PHE B 108 ? 0.3678 0.2707 0.5135 0.0745 0.2140 0.1311 125 PHE B CA 4020 C C . PHE B 108 ? 0.3379 0.2483 0.4644 0.0670 0.1903 0.1232 125 PHE B C 4021 O O . PHE B 108 ? 0.4099 0.3070 0.5004 0.0636 0.1869 0.1122 125 PHE B O 4022 C CB . PHE B 108 ? 0.4009 0.2927 0.5515 0.0797 0.2258 0.1308 125 PHE B CB 4023 C CG . PHE B 108 ? 0.4087 0.2888 0.5756 0.0879 0.2525 0.1373 125 PHE B CG 4024 C CD1 . PHE B 108 ? 0.4909 0.3417 0.6259 0.0904 0.2723 0.1276 125 PHE B CD1 4025 C CD2 . PHE B 108 ? 0.4864 0.3846 0.7002 0.0929 0.2579 0.1533 125 PHE B CD2 4026 C CE1 . PHE B 108 ? 0.5637 0.4018 0.7129 0.0982 0.2991 0.1331 125 PHE B CE1 4027 C CE2 . PHE B 108 ? 0.5920 0.4796 0.8236 0.1012 0.2841 0.1601 125 PHE B CE2 4028 C CZ . PHE B 108 ? 0.5355 0.3922 0.7342 0.1041 0.3055 0.1496 125 PHE B CZ 4029 N N . THR B 109 ? 0.3559 0.2874 0.5062 0.0643 0.1743 0.1293 126 THR B N 4030 C CA . THR B 109 ? 0.3212 0.2584 0.4544 0.0578 0.1539 0.1217 126 THR B CA 4031 C C . THR B 109 ? 0.3652 0.2857 0.4767 0.0591 0.1579 0.1129 126 THR B C 4032 O O . THR B 109 ? 0.3624 0.2702 0.4785 0.0647 0.1749 0.1144 126 THR B O 4033 C CB . THR B 109 ? 0.3175 0.2797 0.4788 0.0541 0.1366 0.1302 126 THR B CB 4034 O OG1 . THR B 109 ? 0.3099 0.2762 0.4917 0.0579 0.1397 0.1369 126 THR B OG1 4035 C CG2 . THR B 109 ? 0.2835 0.2622 0.4715 0.0527 0.1346 0.1402 126 THR B CG2 4036 N N . CYS B 110 ? 0.3547 0.2741 0.4430 0.0536 0.1432 0.1035 127 CYS B N 4037 C CA . CYS B 110 ? 0.3742 0.2779 0.4415 0.0536 0.1461 0.0946 127 CYS B CA 4038 C C . CYS B 110 ? 0.3161 0.2223 0.4077 0.0579 0.1522 0.1016 127 CYS B C 4039 O O . CYS B 110 ? 0.3880 0.2762 0.4685 0.0605 0.1642 0.0966 127 CYS B O 4040 C CB . CYS B 110 ? 0.3496 0.2568 0.3957 0.0469 0.1277 0.0858 127 CYS B CB 4041 S SG . CYS B 110 ? 0.4036 0.3060 0.4201 0.0425 0.1210 0.0777 127 CYS B SG 4042 N N . MET B 111 ? 0.3763 0.3043 0.5009 0.0583 0.1440 0.1136 128 MET B N 4043 C CA . MET B 111 ? 0.3529 0.2860 0.5043 0.0628 0.1487 0.1230 128 MET B CA 4044 C C . MET B 111 ? 0.3708 0.3044 0.5522 0.0706 0.1668 0.1348 128 MET B C 4045 O O . MET B 111 ? 0.3573 0.2987 0.5678 0.0750 0.1704 0.1458 128 MET B O 4046 C CB . MET B 111 ? 0.3492 0.3058 0.5186 0.0585 0.1287 0.1302 128 MET B CB 4047 C CG . MET B 111 ? 0.3340 0.2888 0.4771 0.0521 0.1137 0.1194 128 MET B CG 4048 S SD . MET B 111 ? 0.4024 0.3368 0.5288 0.0541 0.1220 0.1115 128 MET B SD 4049 C CE . MET B 111 ? 0.6783 0.5844 0.7722 0.0554 0.1388 0.0982 128 MET B CE 4050 N N . GLY B 112 ? 0.3738 0.2989 0.5487 0.0724 0.1787 0.1332 129 GLY B N 4051 C CA . GLY B 112 ? 0.3848 0.3049 0.5829 0.0803 0.2004 0.1422 129 GLY B CA 4052 C C . GLY B 112 ? 0.4156 0.3594 0.6526 0.0814 0.1976 0.1575 129 GLY B C 4053 O O . GLY B 112 ? 0.4050 0.3493 0.6702 0.0885 0.2146 0.1680 129 GLY B O 4054 N N . TYR B 113 ? 0.3323 0.2956 0.5721 0.0743 0.1766 0.1588 130 TYR B N 4055 C CA . TYR B 113 ? 0.3206 0.3072 0.5948 0.0730 0.1708 0.1721 130 TYR B CA 4056 C C . TYR B 113 ? 0.3929 0.3721 0.6605 0.0736 0.1820 0.1702 130 TYR B C 4057 O O . TYR B 113 ? 0.3424 0.3001 0.5751 0.0739 0.1903 0.1582 130 TYR B O 4058 C CB . TYR B 113 ? 0.3511 0.3590 0.6280 0.0641 0.1446 0.1730 130 TYR B CB 4059 C CG . TYR B 113 ? 0.3164 0.3352 0.6089 0.0644 0.1355 0.1797 130 TYR B CG 4060 C CD1 . TYR B 113 ? 0.3492 0.3928 0.6804 0.0635 0.1269 0.1958 130 TYR B CD1 4061 C CD2 . TYR B 113 ? 0.3367 0.3412 0.6060 0.0652 0.1356 0.1708 130 TYR B CD2 4062 C CE1 . TYR B 113 ? 0.3054 0.3593 0.6507 0.0639 0.1184 0.2034 130 TYR B CE1 4063 C CE2 . TYR B 113 ? 0.3014 0.3151 0.5854 0.0659 0.1284 0.1778 130 TYR B CE2 4064 C CZ . TYR B 113 ? 0.3504 0.3887 0.6718 0.0654 0.1199 0.1944 130 TYR B CZ 4065 O OH . TYR B 113 ? 0.3167 0.3641 0.6513 0.0660 0.1122 0.2023 130 TYR B OH 4066 N N . PRO B 114 ? 0.3430 0.3399 0.6445 0.0737 0.1827 0.1829 131 PRO B N 4067 C CA . PRO B 114 ? 0.3704 0.3590 0.6670 0.0749 0.1957 0.1820 131 PRO B CA 4068 C C . PRO B 114 ? 0.3913 0.3702 0.6489 0.0685 0.1866 0.1687 131 PRO B C 4069 O O . PRO B 114 ? 0.3515 0.3431 0.6049 0.0610 0.1660 0.1661 131 PRO B O 4070 C CB . PRO B 114 ? 0.3549 0.3692 0.6963 0.0734 0.1915 0.1978 131 PRO B CB 4071 C CG . PRO B 114 ? 0.3666 0.3962 0.7411 0.0764 0.1879 0.2096 131 PRO B CG 4072 C CD . PRO B 114 ? 0.3689 0.3920 0.7162 0.0737 0.1753 0.1996 131 PRO B CD 4073 N N . GLY B 115 ? 0.3734 0.3291 0.6022 0.0717 0.2024 0.1606 132 GLY B N 4074 C CA . GLY B 115 ? 0.4047 0.3500 0.5972 0.0669 0.1961 0.1496 132 GLY B CA 4075 C C . GLY B 115 ? 0.4008 0.3536 0.6035 0.0644 0.1964 0.1549 132 GLY B C 4076 O O . GLY B 115 ? 0.3790 0.3385 0.6117 0.0678 0.2087 0.1658 132 GLY B O 4077 N N . THR B 116 ? 0.3487 0.3005 0.5279 0.0584 0.1831 0.1474 133 THR B N 4078 C CA . THR B 116 ? 0.3820 0.3363 0.5636 0.0558 0.1839 0.1503 133 THR B CA 4079 C C . THR B 116 ? 0.3942 0.3244 0.5420 0.0594 0.1999 0.1442 133 THR B C 4080 O O . THR B 116 ? 0.4304 0.3495 0.5433 0.0568 0.1931 0.1346 133 THR B O 4081 C CB . THR B 116 ? 0.3647 0.3303 0.5407 0.0476 0.1619 0.1462 133 THR B CB 4082 O OG1 . THR B 116 ? 0.3061 0.2934 0.5122 0.0436 0.1481 0.1523 133 THR B OG1 4083 C CG2 . THR B 116 ? 0.3561 0.3218 0.5332 0.0449 0.1639 0.1489 133 THR B CG2 4084 N N . THR B 117 ? 0.4406 0.3628 0.5994 0.0654 0.2216 0.1504 134 THR B N 4085 C CA . THR B 117 ? 0.4331 0.3317 0.5604 0.0687 0.2391 0.1459 134 THR B CA 4086 C C . THR B 117 ? 0.3952 0.2954 0.5172 0.0653 0.2365 0.1482 134 THR B C 4087 O O . THR B 117 ? 0.4361 0.3551 0.5839 0.0611 0.2245 0.1540 134 THR B O 4088 C CB . THR B 117 ? 0.5067 0.3968 0.6508 0.0762 0.2650 0.1529 134 THR B CB 4089 O OG1 . THR B 117 ? 0.5128 0.4232 0.7031 0.0769 0.2672 0.1665 134 THR B OG1 4090 C CG2 . THR B 117 ? 0.5753 0.4599 0.7221 0.0802 0.2701 0.1502 134 THR B CG2 4091 N N . LEU B 118 ? 0.4420 0.3219 0.5301 0.0668 0.2478 0.1439 135 LEU B N 4092 C CA . LEU B 118 ? 0.4986 0.3782 0.5805 0.0642 0.2467 0.1469 135 LEU B CA 4093 C C . LEU B 118 ? 0.4843 0.3783 0.6085 0.0649 0.2545 0.1596 135 LEU B C 4094 O O . LEU B 118 ? 0.4492 0.3539 0.5849 0.0603 0.2448 0.1632 135 LEU B O 4095 C CB . LEU B 118 ? 0.5411 0.3959 0.5812 0.0664 0.2609 0.1424 135 LEU B CB 4096 C CG . LEU B 118 ? 0.6181 0.4596 0.6133 0.0636 0.2499 0.1306 135 LEU B CG 4097 C CD1 . LEU B 118 ? 0.6013 0.4175 0.5560 0.0657 0.2666 0.1272 135 LEU B CD1 4098 C CD2 . LEU B 118 ? 0.5053 0.3575 0.4949 0.0581 0.2275 0.1286 135 LEU B CD2 4099 N N . ASP B 119 ? 0.4706 0.3654 0.6197 0.0703 0.2720 0.1666 136 ASP B N 4100 C CA . ASP B 119 ? 0.4144 0.3243 0.6076 0.0711 0.2805 0.1799 136 ASP B CA 4101 C C . ASP B 119 ? 0.5174 0.4554 0.7507 0.0657 0.2608 0.1859 136 ASP B C 4102 O O . ASP B 119 ? 0.4504 0.4034 0.7187 0.0636 0.2622 0.1962 136 ASP B O 4103 C CB . ASP B 119 ? 0.5820 0.4846 0.7919 0.0792 0.3060 0.1863 136 ASP B CB 4104 C CG . ASP B 119 ? 0.7784 0.6536 0.9535 0.0837 0.3291 0.1830 136 ASP B CG 4105 O OD1 . ASP B 119 ? 0.9017 0.7642 1.0385 0.0806 0.3242 0.1761 136 ASP B OD1 4106 O OD2 . ASP B 119 ? 1.0636 0.9296 1.2493 0.0904 0.3528 0.1875 136 ASP B OD2 4107 N N . LYS B 120 ? 0.3979 0.3426 0.6252 0.0629 0.2427 0.1794 137 LYS B N 4108 C CA . LYS B 120 ? 0.3708 0.3408 0.6304 0.0569 0.2229 0.1840 137 LYS B CA 4109 C C . LYS B 120 ? 0.3722 0.3471 0.6150 0.0486 0.2004 0.1764 137 LYS B C 4110 O O . LYS B 120 ? 0.3409 0.3352 0.6068 0.0422 0.1837 0.1794 137 LYS B O 4111 C CB . LYS B 120 ? 0.3810 0.3574 0.6518 0.0597 0.2193 0.1844 137 LYS B CB 4112 C CG . LYS B 120 ? 0.4065 0.3816 0.7032 0.0681 0.2408 0.1938 137 LYS B CG 4113 C CD . LYS B 120 ? 0.4043 0.4009 0.7502 0.0669 0.2432 0.2089 137 LYS B CD 4114 C CE . LYS B 120 ? 0.4142 0.4125 0.7921 0.0757 0.2639 0.2200 137 LYS B CE 4115 N NZ . LYS B 120 ? 0.5030 0.5205 0.9269 0.0745 0.2686 0.2349 137 LYS B NZ 4116 N N . VAL B 121 ? 0.3788 0.3362 0.5820 0.0485 0.2002 0.1672 138 VAL B N 4117 C CA . VAL B 121 ? 0.3285 0.2883 0.5145 0.0418 0.1808 0.1598 138 VAL B CA 4118 C C . VAL B 121 ? 0.3102 0.2863 0.5243 0.0346 0.1712 0.1657 138 VAL B C 4119 O O . VAL B 121 ? 0.3380 0.3269 0.5600 0.0280 0.1532 0.1631 138 VAL B O 4120 C CB . VAL B 121 ? 0.3566 0.2957 0.5006 0.0434 0.1848 0.1524 138 VAL B CB 4121 C CG1 . VAL B 121 ? 0.3770 0.3193 0.5106 0.0371 0.1678 0.1476 138 VAL B CG1 4122 C CG2 . VAL B 121 ? 0.3957 0.3202 0.5080 0.0474 0.1874 0.1438 138 VAL B CG2 4123 N N . VAL B 122 ? 0.3461 0.3210 0.5747 0.0353 0.1839 0.1734 139 VAL B N 4124 C CA . VAL B 122 ? 0.2920 0.2805 0.5465 0.0277 0.1759 0.1786 139 VAL B CA 4125 C C . VAL B 122 ? 0.2912 0.3031 0.5858 0.0229 0.1666 0.1858 139 VAL B C 4126 O O . VAL B 122 ? 0.3290 0.3532 0.6334 0.0141 0.1492 0.1840 139 VAL B O 4127 C CB . VAL B 122 ? 0.3782 0.3597 0.6405 0.0296 0.1931 0.1862 139 VAL B CB 4128 C CG1 . VAL B 122 ? 0.3593 0.3561 0.6539 0.0209 0.1855 0.1924 139 VAL B CG1 4129 C CG2 . VAL B 122 ? 0.3808 0.3406 0.6024 0.0325 0.1986 0.1799 139 VAL B CG2 4130 N N . GLN B 123 ? 0.3087 0.3267 0.6268 0.0284 0.1782 0.1942 140 GLN B N 4131 C CA . GLN B 123 ? 0.3398 0.3816 0.6982 0.0246 0.1693 0.2032 140 GLN B CA 4132 C C . GLN B 123 ? 0.2552 0.3057 0.6053 0.0196 0.1481 0.1966 140 GLN B C 4133 O O . GLN B 123 ? 0.3008 0.3702 0.6732 0.0109 0.1320 0.2001 140 GLN B O 4134 C CB . GLN B 123 ? 0.3409 0.3854 0.7230 0.0334 0.1869 0.2131 140 GLN B CB 4135 C CG . GLN B 123 ? 0.3591 0.4302 0.7867 0.0299 0.1778 0.2249 140 GLN B CG 4136 C CD . GLN B 123 ? 0.4934 0.5684 0.9522 0.0390 0.1976 0.2373 140 GLN B CD 4137 O OE1 . GLN B 123 ? 0.3636 0.4190 0.8055 0.0483 0.2187 0.2353 140 GLN B OE1 4138 N NE2 . GLN B 123 ? 0.3909 0.4911 0.8954 0.0360 0.1911 0.2506 140 GLN B NE2 4139 N N . ASP B 124 ? 0.2888 0.3253 0.6062 0.0244 0.1481 0.1872 141 ASP B N 4140 C CA . ASP B 124 ? 0.2728 0.3159 0.5805 0.0205 0.1299 0.1809 141 ASP B CA 4141 C C . ASP B 124 ? 0.2272 0.2717 0.5200 0.0111 0.1126 0.1728 141 ASP B C 4142 O O . ASP B 124 ? 0.2633 0.3224 0.5667 0.0035 0.0957 0.1727 141 ASP B O 4143 C CB . ASP B 124 ? 0.2940 0.3213 0.5722 0.0279 0.1356 0.1732 141 ASP B CB 4144 C CG . ASP B 124 ? 0.3356 0.3641 0.6329 0.0360 0.1499 0.1812 141 ASP B CG 4145 O OD1 . ASP B 124 ? 0.3583 0.3722 0.6328 0.0419 0.1568 0.1750 141 ASP B OD1 4146 O OD2 . ASP B 124 ? 0.3543 0.3980 0.6902 0.0363 0.1545 0.1938 141 ASP B OD2 4147 N N . ALA B 125 ? 0.2658 0.2953 0.5359 0.0113 0.1175 0.1670 142 ALA B N 4148 C CA . ALA B 125 ? 0.2339 0.2629 0.4928 0.0030 0.1041 0.1602 142 ALA B CA 4149 C C . ALA B 125 ? 0.2190 0.2655 0.5101 -0.0067 0.0953 0.1666 142 ALA B C 4150 O O . ALA B 125 ? 0.2859 0.3401 0.5764 -0.0155 0.0789 0.1620 142 ALA B O 4151 C CB . ALA B 125 ? 0.2757 0.2861 0.5095 0.0059 0.1130 0.1557 142 ALA B CB 4152 N N . GLN B 126 ? 0.2684 0.3205 0.5869 -0.0057 0.1067 0.1771 143 GLN B N 4153 C CA . GLN B 126 ? 0.3017 0.3714 0.6541 -0.0156 0.0991 0.1844 143 GLN B CA 4154 C C . GLN B 126 ? 0.2115 0.3023 0.5855 -0.0214 0.0838 0.1888 143 GLN B C 4155 O O . GLN B 126 ? 0.3070 0.4095 0.6911 -0.0331 0.0681 0.1879 143 GLN B O 4156 C CB . GLN B 126 ? 0.3259 0.3982 0.7061 -0.0121 0.1163 0.1962 143 GLN B CB 4157 C CG . GLN B 126 ? 0.3340 0.3869 0.6949 -0.0088 0.1297 0.1932 143 GLN B CG 4158 C CD . GLN B 126 ? 0.4214 0.4735 0.8046 -0.0034 0.1501 0.2045 143 GLN B CD 4159 O OE1 . GLN B 126 ? 0.4518 0.4935 0.8302 -0.0037 0.1592 0.2053 143 GLN B OE1 4160 N NE2 . GLN B 126 ? 0.3442 0.4066 0.7520 0.0018 0.1581 0.2137 143 GLN B NE2 4161 N N . THR B 127 ? 0.2664 0.3610 0.6458 -0.0135 0.0885 0.1933 144 THR B N 4162 C CA . THR B 127 ? 0.2432 0.3567 0.6405 -0.0171 0.0748 0.1984 144 THR B CA 4163 C C . THR B 127 ? 0.1946 0.3077 0.5670 -0.0248 0.0556 0.1874 144 THR B C 4164 O O . THR B 127 ? 0.2509 0.3802 0.6371 -0.0354 0.0390 0.1898 144 THR B O 4165 C CB . THR B 127 ? 0.2618 0.3739 0.6635 -0.0054 0.0861 0.2037 144 THR B CB 4166 O OG1 . THR B 127 ? 0.2769 0.3895 0.7036 0.0015 0.1052 0.2143 144 THR B OG1 4167 C CG2 . THR B 127 ? 0.2597 0.3915 0.6808 -0.0085 0.0720 0.2105 144 THR B CG2 4168 N N . PHE B 128 ? 0.2588 0.3533 0.5944 -0.0198 0.0581 0.1757 145 PHE B N 4169 C CA . PHE B 128 ? 0.2152 0.3069 0.5256 -0.0258 0.0426 0.1647 145 PHE B CA 4170 C C . PHE B 128 ? 0.1875 0.2814 0.4973 -0.0380 0.0316 0.1600 145 PHE B C 4171 O O . PHE B 128 ? 0.2825 0.3859 0.5918 -0.0475 0.0156 0.1573 145 PHE B O 4172 C CB . PHE B 128 ? 0.2822 0.3535 0.5556 -0.0180 0.0487 0.1537 145 PHE B CB 4173 C CG . PHE B 128 ? 0.2392 0.3060 0.5088 -0.0074 0.0586 0.1561 145 PHE B CG 4174 C CD1 . PHE B 128 ? 0.2559 0.3372 0.5481 -0.0062 0.0559 0.1649 145 PHE B CD1 4175 C CD2 . PHE B 128 ? 0.3013 0.3489 0.5440 0.0008 0.0703 0.1496 145 PHE B CD2 4176 C CE1 . PHE B 128 ? 0.2481 0.3231 0.5370 0.0035 0.0664 0.1667 145 PHE B CE1 4177 C CE2 . PHE B 128 ? 0.3183 0.3596 0.5557 0.0094 0.0800 0.1506 145 PHE B CE2 4178 C CZ . PHE B 128 ? 0.2599 0.3141 0.5206 0.0110 0.0786 0.1588 145 PHE B CZ 4179 N N . ALA B 129 ? 0.2553 0.3399 0.5651 -0.0382 0.0406 0.1592 146 ALA B N 4180 C CA . ALA B 129 ? 0.2733 0.3582 0.5846 -0.0499 0.0321 0.1550 146 ALA B CA 4181 C C . ALA B 129 ? 0.2186 0.3253 0.5625 -0.0611 0.0208 0.1635 146 ALA B C 4182 O O . ALA B 129 ? 0.2829 0.3943 0.6234 -0.0734 0.0060 0.1583 146 ALA B O 4183 C CB . ALA B 129 ? 0.2941 0.3654 0.6033 -0.0473 0.0454 0.1548 146 ALA B CB 4184 N N . GLU B 130 ? 0.2616 0.3812 0.6367 -0.0573 0.0279 0.1767 147 GLU B N 4185 C CA . GLU B 130 ? 0.2517 0.3947 0.6622 -0.0676 0.0170 0.1872 147 GLU B CA 4186 C C . GLU B 130 ? 0.2511 0.4079 0.6597 -0.0740 -0.0012 0.1871 147 GLU B C 4187 O O . GLU B 130 ? 0.2538 0.4249 0.6753 -0.0877 -0.0167 0.1892 147 GLU B O 4188 C CB . GLU B 130 ? 0.3048 0.4590 0.7510 -0.0602 0.0302 0.2026 147 GLU B CB 4189 C CG . GLU B 130 ? 0.4281 0.5765 0.8880 -0.0604 0.0435 0.2059 147 GLU B CG 4190 C CD . GLU B 130 ? 0.5433 0.6931 1.0261 -0.0483 0.0635 0.2178 147 GLU B CD 4191 O OE1 . GLU B 130 ? 0.4669 0.6066 0.9526 -0.0456 0.0782 0.2192 147 GLU B OE1 4192 O OE2 . GLU B 130 ? 0.3837 0.5438 0.8813 -0.0416 0.0656 0.2259 147 GLU B OE2 4193 N N . TRP B 131 ? 0.2637 0.4153 0.6547 -0.0647 0.0005 0.1845 148 TRP B N 4194 C CA . TRP B 131 ? 0.2771 0.4385 0.6607 -0.0693 -0.0153 0.1836 148 TRP B CA 4195 C C . TRP B 131 ? 0.2540 0.4060 0.6056 -0.0791 -0.0281 0.1691 148 TRP B C 4196 O O . TRP B 131 ? 0.2684 0.4292 0.6135 -0.0859 -0.0427 0.1681 148 TRP B O 4197 C CB . TRP B 131 ? 0.2274 0.3835 0.6014 -0.0559 -0.0072 0.1847 148 TRP B CB 4198 C CG . TRP B 131 ? 0.2609 0.4280 0.6676 -0.0468 0.0037 0.1998 148 TRP B CG 4199 C CD1 . TRP B 131 ? 0.2767 0.4621 0.7234 -0.0500 0.0042 0.2140 148 TRP B CD1 4200 C CD2 . TRP B 131 ? 0.2577 0.4183 0.6614 -0.0334 0.0158 0.2025 148 TRP B CD2 4201 N NE1 . TRP B 131 ? 0.2418 0.4323 0.7113 -0.0384 0.0171 0.2256 148 TRP B NE1 4202 C CE2 . TRP B 131 ? 0.3179 0.4923 0.7605 -0.0282 0.0247 0.2183 148 TRP B CE2 4203 C CE3 . TRP B 131 ? 0.2342 0.3782 0.6066 -0.0254 0.0206 0.1929 148 TRP B CE3 4204 C CZ2 . TRP B 131 ? 0.2444 0.4147 0.6943 -0.0151 0.0392 0.2243 148 TRP B CZ2 4205 C CZ3 . TRP B 131 ? 0.2326 0.3727 0.6114 -0.0134 0.0339 0.1984 148 TRP B CZ3 4206 C CH2 . TRP B 131 ? 0.3127 0.4650 0.7292 -0.0083 0.0436 0.2136 148 TRP B CH2 4207 N N . LYS B 132 ? 0.2507 0.3847 0.5828 -0.0795 -0.0215 0.1585 149 LYS B N 4208 C CA . LYS B 132 ? 0.2551 0.3767 0.5575 -0.0875 -0.0298 0.1442 149 LYS B CA 4209 C C . LYS B 132 ? 0.3061 0.4169 0.5783 -0.0800 -0.0297 0.1357 149 LYS B C 4210 O O . LYS B 132 ? 0.2915 0.3990 0.5432 -0.0869 -0.0401 0.1268 149 LYS B O 4211 C CB . LYS B 132 ? 0.2656 0.3994 0.5742 -0.1048 -0.0475 0.1434 149 LYS B CB 4212 C CG . LYS B 132 ? 0.3241 0.4679 0.6622 -0.1144 -0.0486 0.1505 149 LYS B CG 4213 C CD . LYS B 132 ? 0.4530 0.6085 0.7940 -0.1330 -0.0677 0.1489 149 LYS B CD 4214 C CE . LYS B 132 ? 0.5262 0.6938 0.8992 -0.1439 -0.0703 0.1568 149 LYS B CE 4215 N NZ . LYS B 132 ? 0.5229 0.6726 0.8921 -0.1438 -0.0581 0.1500 149 LYS B NZ 4216 N N . VAL B 133 ? 0.2063 0.3104 0.4754 -0.0662 -0.0170 0.1382 150 VAL B N 4217 C CA . VAL B 133 ? 0.2425 0.3340 0.4834 -0.0580 -0.0141 0.1300 150 VAL B CA 4218 C C . VAL B 133 ? 0.2944 0.3676 0.5093 -0.0586 -0.0113 0.1177 150 VAL B C 4219 O O . VAL B 133 ? 0.2580 0.3250 0.4775 -0.0605 -0.0057 0.1172 150 VAL B O 4220 C CB . VAL B 133 ? 0.3028 0.3901 0.5474 -0.0440 0.0002 0.1357 150 VAL B CB 4221 C CG1 . VAL B 133 ? 0.3850 0.4559 0.5992 -0.0361 0.0052 0.1262 150 VAL B CG1 4222 C CG2 . VAL B 133 ? 0.2442 0.3480 0.5117 -0.0420 -0.0023 0.1471 150 VAL B CG2 4223 N N . ASP B 134 ? 0.2275 0.2923 0.4169 -0.0568 -0.0149 0.1086 151 ASP B N 4224 C CA . ASP B 134 ? 0.2747 0.3237 0.4411 -0.0576 -0.0135 0.0974 151 ASP B CA 4225 C C . ASP B 134 ? 0.2333 0.2691 0.3796 -0.0463 -0.0051 0.0930 151 ASP B C 4226 O O . ASP B 134 ? 0.2421 0.2652 0.3730 -0.0450 -0.0018 0.0862 151 ASP B O 4227 C CB . ASP B 134 ? 0.2419 0.2919 0.3954 -0.0675 -0.0258 0.0894 151 ASP B CB 4228 C CG . ASP B 134 ? 0.3191 0.3812 0.4888 -0.0807 -0.0358 0.0926 151 ASP B CG 4229 O OD1 . ASP B 134 ? 0.3075 0.3669 0.4863 -0.0865 -0.0339 0.0924 151 ASP B OD1 4230 O OD2 . ASP B 134 ? 0.2632 0.3378 0.4365 -0.0856 -0.0460 0.0959 151 ASP B OD2 4231 N N . MET B 135 ? 0.2307 0.2697 0.3776 -0.0387 -0.0018 0.0971 152 MET B N 4232 C CA . MET B 135 ? 0.2261 0.2533 0.3538 -0.0292 0.0053 0.0931 152 MET B CA 4233 C C . MET B 135 ? 0.2181 0.2477 0.3548 -0.0212 0.0137 0.1005 152 MET B C 4234 O O . MET B 135 ? 0.2171 0.2592 0.3727 -0.0227 0.0112 0.1078 152 MET B O 4235 C CB . MET B 135 ? 0.2111 0.2361 0.3197 -0.0303 -0.0024 0.0850 152 MET B CB 4236 C CG . MET B 135 ? 0.2242 0.2388 0.3136 -0.0217 0.0028 0.0808 152 MET B CG 4237 S SD . MET B 135 ? 0.2588 0.2705 0.3286 -0.0249 -0.0061 0.0708 152 MET B SD 4238 C CE . MET B 135 ? 0.2762 0.2793 0.3296 -0.0153 -0.0002 0.0686 152 MET B CE 4239 N N . LEU B 136 ? 0.2303 0.2477 0.3537 -0.0131 0.0240 0.0991 153 LEU B N 4240 C CA . LEU B 136 ? 0.2053 0.2202 0.3316 -0.0052 0.0344 0.1041 153 LEU B CA 4241 C C . LEU B 136 ? 0.2467 0.2492 0.3468 0.0006 0.0372 0.0972 153 LEU B C 4242 O O . LEU B 136 ? 0.2431 0.2355 0.3255 0.0018 0.0384 0.0921 153 LEU B O 4243 C CB . LEU B 136 ? 0.2089 0.2199 0.3459 -0.0017 0.0471 0.1106 153 LEU B CB 4244 C CG . LEU B 136 ? 0.2338 0.2386 0.3707 0.0068 0.0610 0.1149 153 LEU B CG 4245 C CD1 . LEU B 136 ? 0.2441 0.2609 0.4027 0.0076 0.0604 0.1217 153 LEU B CD1 4246 C CD2 . LEU B 136 ? 0.2439 0.2422 0.3869 0.0103 0.0750 0.1205 153 LEU B CD2 4247 N N . LYS B 137 ? 0.2400 0.2437 0.3391 0.0038 0.0380 0.0976 154 LYS B N 4248 C CA . LYS B 137 ? 0.2083 0.1998 0.2848 0.0091 0.0424 0.0919 154 LYS B CA 4249 C C . LYS B 137 ? 0.2513 0.2358 0.3313 0.0155 0.0570 0.0967 154 LYS B C 4250 O O . LYS B 137 ? 0.2691 0.2606 0.3692 0.0171 0.0613 0.1037 154 LYS B O 4251 C CB . LYS B 137 ? 0.2548 0.2503 0.3276 0.0080 0.0349 0.0887 154 LYS B CB 4252 C CG . LYS B 137 ? 0.2421 0.2256 0.2946 0.0128 0.0398 0.0833 154 LYS B CG 4253 C CD . LYS B 137 ? 0.2525 0.2414 0.3042 0.0108 0.0315 0.0807 154 LYS B CD 4254 C CE . LYS B 137 ? 0.2543 0.2321 0.2890 0.0143 0.0360 0.0756 154 LYS B CE 4255 N NZ . LYS B 137 ? 0.2371 0.2210 0.2741 0.0121 0.0283 0.0744 154 LYS B NZ 4256 N N . LEU B 138 ? 0.2584 0.2290 0.3187 0.0192 0.0650 0.0937 155 LEU B N 4257 C CA . LEU B 138 ? 0.2883 0.2488 0.3464 0.0249 0.0807 0.0971 155 LEU B CA 4258 C C . LEU B 138 ? 0.2820 0.2289 0.3145 0.0280 0.0844 0.0902 155 LEU B C 4259 O O . LEU B 138 ? 0.3070 0.2442 0.3143 0.0277 0.0823 0.0842 155 LEU B O 4260 C CB . LEU B 138 ? 0.2922 0.2463 0.3465 0.0259 0.0882 0.0998 155 LEU B CB 4261 C CG . LEU B 138 ? 0.3049 0.2491 0.3594 0.0315 0.1061 0.1046 155 LEU B CG 4262 C CD1 . LEU B 138 ? 0.3051 0.2601 0.3927 0.0329 0.1125 0.1135 155 LEU B CD1 4263 C CD2 . LEU B 138 ? 0.2976 0.2339 0.3437 0.0322 0.1132 0.1070 155 LEU B CD2 4264 N N . ASP B 139 ? 0.2818 0.2284 0.3221 0.0306 0.0896 0.0915 156 ASP B N 4265 C CA . ASP B 139 ? 0.2753 0.2090 0.2945 0.0326 0.0935 0.0849 156 ASP B CA 4266 C C . ASP B 139 ? 0.3779 0.2941 0.3806 0.0367 0.1098 0.0842 156 ASP B C 4267 O O . ASP B 139 ? 0.3536 0.2694 0.3655 0.0388 0.1190 0.0902 156 ASP B O 4268 C CB . ASP B 139 ? 0.2597 0.1996 0.2970 0.0339 0.0939 0.0879 156 ASP B CB 4269 C CG . ASP B 139 ? 0.3187 0.2511 0.3378 0.0330 0.0900 0.0799 156 ASP B CG 4270 O OD1 . ASP B 139 ? 0.3200 0.2409 0.3117 0.0317 0.0888 0.0718 156 ASP B OD1 4271 O OD2 . ASP B 139 ? 0.3020 0.2409 0.3360 0.0333 0.0878 0.0826 156 ASP B OD2 4272 N N . GLY B 140 ? 0.3593 0.2607 0.3370 0.0374 0.1138 0.0768 157 GLY B N 4273 C CA . GLY B 140 ? 0.4035 0.2858 0.3568 0.0396 0.1275 0.0739 157 GLY B CA 4274 C C . GLY B 140 ? 0.4324 0.2985 0.3767 0.0426 0.1424 0.0707 157 GLY B C 4275 O O . GLY B 140 ? 0.4631 0.3111 0.3788 0.0426 0.1513 0.0654 157 GLY B O 4276 N N . CYS B 141 ? 0.4089 0.2806 0.3763 0.0449 0.1455 0.0739 158 CYS B N 4277 C CA . CYS B 141 ? 0.4260 0.2812 0.3879 0.0483 0.1615 0.0713 158 CYS B CA 4278 C C . CYS B 141 ? 0.4747 0.3199 0.4422 0.0536 0.1824 0.0768 158 CYS B C 4279 O O . CYS B 141 ? 0.4425 0.2990 0.4299 0.0552 0.1836 0.0853 158 CYS B O 4280 C CB . CYS B 141 ? 0.4228 0.2877 0.4117 0.0501 0.1596 0.0753 158 CYS B CB 4281 S SG . CYS B 141 ? 0.4747 0.3446 0.4531 0.0445 0.1407 0.0674 158 CYS B SG 4282 N N . PHE B 142 ? 0.4896 0.3131 0.4395 0.0559 0.1994 0.0716 159 PHE B N 4283 C CA . PHE B 142 ? 0.5116 0.3228 0.4681 0.0618 0.2230 0.0763 159 PHE B CA 4284 C C . PHE B 142 ? 0.5096 0.3185 0.4553 0.0617 0.2277 0.0792 159 PHE B C 4285 O O . PHE B 142 ? 0.5258 0.3383 0.4941 0.0664 0.2407 0.0885 159 PHE B O 4286 C CB . PHE B 142 ? 0.4824 0.3076 0.4845 0.0677 0.2299 0.0881 159 PHE B CB 4287 C CG . PHE B 142 ? 0.5189 0.3423 0.5303 0.0688 0.2297 0.0862 159 PHE B CG 4288 C CD1 . PHE B 142 ? 0.4275 0.2724 0.4626 0.0671 0.2118 0.0908 159 PHE B CD1 4289 C CD2 . PHE B 142 ? 0.6313 0.4302 0.6261 0.0713 0.2478 0.0796 159 PHE B CD2 4290 C CE1 . PHE B 142 ? 0.5369 0.3800 0.5804 0.0683 0.2118 0.0900 159 PHE B CE1 4291 C CE2 . PHE B 142 ? 0.6905 0.4866 0.6947 0.0725 0.2484 0.0782 159 PHE B CE2 4292 C CZ . PHE B 142 ? 0.5653 0.3840 0.5943 0.0712 0.2302 0.0839 159 PHE B CZ 4293 N N . SER B 143 ? 0.5456 0.3486 0.4574 0.0563 0.2168 0.0718 160 SER B N 4294 C CA . SER B 143 ? 0.5825 0.3808 0.4775 0.0557 0.2200 0.0738 160 SER B CA 4295 C C . SER B 143 ? 0.5269 0.3042 0.3736 0.0513 0.2204 0.0633 160 SER B C 4296 O O . SER B 143 ? 0.6365 0.4073 0.4653 0.0475 0.2132 0.0544 160 SER B O 4297 C CB . SER B 143 ? 0.5789 0.3985 0.4883 0.0530 0.2011 0.0788 160 SER B CB 4298 O OG . SER B 143 ? 0.5303 0.3560 0.4270 0.0479 0.1811 0.0720 160 SER B OG 4299 N N . THR B 144 ? 0.6083 0.3752 0.4342 0.0514 0.2287 0.0650 161 THR B N 4300 C CA . THR B 144 ? 0.6018 0.3510 0.3807 0.0463 0.2267 0.0569 161 THR B CA 4301 C C . THR B 144 ? 0.6402 0.4031 0.4128 0.0427 0.2065 0.0595 161 THR B C 4302 O O . THR B 144 ? 0.5973 0.3790 0.3997 0.0447 0.1993 0.0676 161 THR B O 4303 C CB . THR B 144 ? 0.7385 0.4664 0.4954 0.0486 0.2494 0.0580 161 THR B CB 4304 O OG1 . THR B 144 ? 0.6749 0.4130 0.4485 0.0517 0.2517 0.0687 161 THR B OG1 4305 C CG2 . THR B 144 ? 0.7243 0.4389 0.4934 0.0537 0.2729 0.0572 161 THR B CG2 4306 N N . PRO B 145 ? 0.6375 0.3907 0.3716 0.0372 0.1974 0.0530 162 PRO B N 4307 C CA . PRO B 145 ? 0.6815 0.4465 0.4099 0.0346 0.1799 0.0568 162 PRO B CA 4308 C C . PRO B 145 ? 0.6640 0.4324 0.4025 0.0383 0.1872 0.0672 162 PRO B C 4309 O O . PRO B 145 ? 0.5652 0.3505 0.3237 0.0387 0.1752 0.0732 162 PRO B O 4310 C CB . PRO B 145 ? 0.7176 0.4673 0.3997 0.0284 0.1744 0.0495 162 PRO B CB 4311 C CG . PRO B 145 ? 0.8108 0.5466 0.4808 0.0260 0.1812 0.0392 162 PRO B CG 4312 C CD . PRO B 145 ? 0.7880 0.5198 0.4839 0.0324 0.2016 0.0421 162 PRO B CD 4313 N N . GLU B 146 ? 0.6413 0.3929 0.3662 0.0408 0.2077 0.0692 163 GLU B N 4314 C CA . GLU B 146 ? 0.6096 0.3634 0.3448 0.0444 0.2168 0.0796 163 GLU B CA 4315 C C . GLU B 146 ? 0.5730 0.3461 0.3577 0.0486 0.2177 0.0876 163 GLU B C 4316 O O . GLU B 146 ? 0.5724 0.3567 0.3726 0.0492 0.2125 0.0953 163 GLU B O 4317 C CB . GLU B 146 ? 0.7559 0.4865 0.4667 0.0464 0.2409 0.0801 163 GLU B CB 4318 C CG . GLU B 146 ? 1.0884 0.8065 0.7587 0.0434 0.2403 0.0818 163 GLU B CG 4319 C CD . GLU B 146 ? 1.1674 0.8976 0.8546 0.0457 0.2366 0.0935 163 GLU B CD 4320 O OE1 . GLU B 146 ? 0.9712 0.7170 0.6673 0.0438 0.2165 0.0956 163 GLU B OE1 4321 O OE2 . GLU B 146 ? 1.3020 1.0253 0.9938 0.0494 0.2549 0.1006 163 GLU B OE2 4322 N N . GLU B 147 ? 0.5442 0.3212 0.3536 0.0510 0.2239 0.0861 164 GLU B N 4323 C CA . GLU B 147 ? 0.5385 0.3352 0.3955 0.0540 0.2233 0.0940 164 GLU B CA 4324 C C . GLU B 147 ? 0.5281 0.3455 0.4021 0.0506 0.2002 0.0947 164 GLU B C 4325 O O . GLU B 147 ? 0.4924 0.3244 0.3950 0.0511 0.1967 0.1022 164 GLU B O 4326 C CB . GLU B 147 ? 0.4985 0.2957 0.3772 0.0571 0.2328 0.0928 164 GLU B CB 4327 C CG . GLU B 147 ? 0.7213 0.5007 0.5961 0.0619 0.2597 0.0950 164 GLU B CG 4328 C CD . GLU B 147 ? 0.8957 0.6715 0.7877 0.0655 0.2710 0.0932 164 GLU B CD 4329 O OE1 . GLU B 147 ? 0.7390 0.5286 0.6505 0.0645 0.2575 0.0919 164 GLU B OE1 4330 O OE2 . GLU B 147 ? 0.8619 0.6203 0.7480 0.0696 0.2945 0.0937 164 GLU B OE2 4331 N N . ARG B 148 ? 0.5140 0.3318 0.3705 0.0469 0.1850 0.0866 165 ARG B N 4332 C CA . ARG B 148 ? 0.4483 0.2832 0.3162 0.0436 0.1639 0.0862 165 ARG B CA 4333 C C . ARG B 148 ? 0.4673 0.3034 0.3251 0.0425 0.1579 0.0906 165 ARG B C 4334 O O . ARG B 148 ? 0.4509 0.3013 0.3316 0.0417 0.1490 0.0949 165 ARG B O 4335 C CB . ARG B 148 ? 0.4716 0.3060 0.3233 0.0401 0.1508 0.0769 165 ARG B CB 4336 C CG . ARG B 148 ? 0.4648 0.2998 0.3306 0.0412 0.1551 0.0735 165 ARG B CG 4337 C CD . ARG B 148 ? 0.4793 0.3166 0.3344 0.0373 0.1407 0.0652 165 ARG B CD 4338 N NE . ARG B 148 ? 0.5121 0.3324 0.3283 0.0342 0.1412 0.0575 165 ARG B NE 4339 C CZ . ARG B 148 ? 0.5407 0.3442 0.3395 0.0339 0.1523 0.0512 165 ARG B CZ 4340 N NH1 . ARG B 148 ? 0.6501 0.4511 0.4685 0.0377 0.1653 0.0524 165 ARG B NH1 4341 N NH2 . ARG B 148 ? 0.6082 0.3969 0.3697 0.0295 0.1505 0.0439 165 ARG B NH2 4342 N N . ALA B 149 ? 0.5041 0.3245 0.3279 0.0422 0.1634 0.0897 166 ALA B N 4343 C CA . ALA B 149 ? 0.5206 0.3409 0.3332 0.0416 0.1585 0.0952 166 ALA B CA 4344 C C . ALA B 149 ? 0.5177 0.3430 0.3558 0.0444 0.1681 0.1049 166 ALA B C 4345 O O . ALA B 149 ? 0.5226 0.3555 0.3697 0.0438 0.1603 0.1099 166 ALA B O 4346 C CB . ALA B 149 ? 0.5913 0.3931 0.3608 0.0405 0.1635 0.0934 166 ALA B CB 4347 N N . GLN B 150 ? 0.5353 0.3560 0.3864 0.0475 0.1856 0.1077 167 GLN B N 4348 C CA . GLN B 150 ? 0.5237 0.3511 0.4047 0.0497 0.1954 0.1171 167 GLN B CA 4349 C C . GLN B 150 ? 0.4868 0.3347 0.4090 0.0483 0.1859 0.1190 167 GLN B C 4350 O O . GLN B 150 ? 0.4566 0.3143 0.4007 0.0472 0.1828 0.1251 167 GLN B O 4351 C CB . GLN B 150 ? 0.5810 0.3964 0.4628 0.0537 0.2188 0.1200 167 GLN B CB 4352 C CG . GLN B 150 ? 0.6371 0.4300 0.4766 0.0546 0.2314 0.1186 167 GLN B CG 4353 C CD . GLN B 150 ? 0.6938 0.4729 0.5327 0.0586 0.2561 0.1198 167 GLN B CD 4354 O OE1 . GLN B 150 ? 0.8727 0.6470 0.7115 0.0596 0.2614 0.1138 167 GLN B OE1 4355 N NE2 . GLN B 150 ? 0.7651 0.5368 0.6037 0.0611 0.2723 0.1277 167 GLN B NE2 4356 N N . GLY B 151 ? 0.4163 0.2700 0.3479 0.0480 0.1814 0.1137 168 GLY B N 4357 C CA . GLY B 151 ? 0.4142 0.2861 0.3843 0.0469 0.1754 0.1165 168 GLY B CA 4358 C C . GLY B 151 ? 0.3658 0.2520 0.3463 0.0423 0.1555 0.1145 168 GLY B C 4359 O O . GLY B 151 ? 0.3764 0.2765 0.3869 0.0400 0.1513 0.1193 168 GLY B O 4360 N N . TYR B 152 ? 0.3811 0.2643 0.3378 0.0404 0.1432 0.1073 169 TYR B N 4361 C CA . TYR B 152 ? 0.3729 0.2683 0.3387 0.0363 0.1257 0.1050 169 TYR B CA 4362 C C . TYR B 152 ? 0.3426 0.2403 0.3170 0.0351 0.1250 0.1108 169 TYR B C 4363 O O . TYR B 152 ? 0.3582 0.2680 0.3574 0.0317 0.1183 0.1126 169 TYR B O 4364 C CB . TYR B 152 ? 0.3440 0.2364 0.2852 0.0349 0.1135 0.0970 169 TYR B CB 4365 C CG . TYR B 152 ? 0.3695 0.2660 0.3150 0.0342 0.1099 0.0914 169 TYR B CG 4366 C CD1 . TYR B 152 ? 0.3459 0.2568 0.3123 0.0312 0.0984 0.0900 169 TYR B CD1 4367 C CD2 . TYR B 152 ? 0.3881 0.2727 0.3160 0.0364 0.1187 0.0878 169 TYR B CD2 4368 C CE1 . TYR B 152 ? 0.3299 0.2444 0.3004 0.0309 0.0954 0.0861 169 TYR B CE1 4369 C CE2 . TYR B 152 ? 0.3592 0.2464 0.2921 0.0360 0.1163 0.0833 169 TYR B CE2 4370 C CZ . TYR B 152 ? 0.3481 0.2508 0.3030 0.0335 0.1046 0.0831 169 TYR B CZ 4371 O OH . TYR B 152 ? 0.3470 0.2519 0.3065 0.0334 0.1026 0.0797 169 TYR B OH 4372 N N . PRO B 153 ? 0.3766 0.2619 0.3302 0.0374 0.1324 0.1140 170 PRO B N 4373 C CA . PRO B 153 ? 0.3608 0.2477 0.3262 0.0365 0.1340 0.1206 170 PRO B CA 4374 C C . PRO B 153 ? 0.3928 0.2862 0.3894 0.0361 0.1439 0.1274 170 PRO B C 4375 O O . PRO B 153 ? 0.3629 0.2639 0.3802 0.0328 0.1398 0.1306 170 PRO B O 4376 C CB . PRO B 153 ? 0.3968 0.2684 0.3320 0.0395 0.1414 0.1237 170 PRO B CB 4377 C CG . PRO B 153 ? 0.4599 0.3251 0.3656 0.0399 0.1354 0.1165 170 PRO B CG 4378 C CD . PRO B 153 ? 0.3735 0.2439 0.2913 0.0396 0.1366 0.1114 170 PRO B CD 4379 N N . LYS B 154 ? 0.3828 0.2730 0.3837 0.0392 0.1574 0.1297 171 LYS B N 4380 C CA . LYS B 154 ? 0.3989 0.2969 0.4327 0.0390 0.1673 0.1374 171 LYS B CA 4381 C C . LYS B 154 ? 0.3239 0.2405 0.3890 0.0340 0.1545 0.1368 171 LYS B C 4382 O O . LYS B 154 ? 0.3336 0.2593 0.4251 0.0304 0.1542 0.1424 171 LYS B O 4383 C CB . LYS B 154 ? 0.4141 0.3056 0.4484 0.0438 0.1843 0.1398 171 LYS B CB 4384 C CG . LYS B 154 ? 0.4450 0.3429 0.5123 0.0448 0.1977 0.1496 171 LYS B CG 4385 C CD . LYS B 154 ? 0.4326 0.3208 0.4971 0.0506 0.2174 0.1519 171 LYS B CD 4386 C CE . LYS B 154 ? 0.5843 0.4778 0.6813 0.0523 0.2331 0.1629 171 LYS B CE 4387 N NZ . LYS B 154 ? 0.5890 0.4718 0.6840 0.0587 0.2542 0.1650 171 LYS B NZ 4388 N N . MET B 155 ? 0.3393 0.2612 0.4004 0.0329 0.1436 0.1301 172 MET B N 4389 C CA . MET B 155 ? 0.3035 0.2425 0.3905 0.0276 0.1307 0.1295 172 MET B CA 4390 C C . MET B 155 ? 0.2833 0.2263 0.3717 0.0219 0.1181 0.1270 172 MET B C 4391 O O . MET B 155 ? 0.2987 0.2536 0.4122 0.0163 0.1123 0.1295 172 MET B O 4392 C CB . MET B 155 ? 0.3209 0.2634 0.4015 0.0280 0.1228 0.1232 172 MET B CB 4393 C CG . MET B 155 ? 0.2996 0.2594 0.4038 0.0222 0.1091 0.1230 172 MET B CG 4394 S SD . MET B 155 ? 0.3039 0.2799 0.4510 0.0200 0.1137 0.1340 172 MET B SD 4395 C CE . MET B 155 ? 0.2869 0.2613 0.4388 0.0272 0.1254 0.1371 172 MET B CE 4396 N N . ALA B 156 ? 0.2995 0.2328 0.3616 0.0230 0.1137 0.1221 173 ALA B N 4397 C CA . ALA B 156 ? 0.3126 0.2476 0.3764 0.0184 0.1039 0.1200 173 ALA B CA 4398 C C . ALA B 156 ? 0.2734 0.2083 0.3553 0.0163 0.1111 0.1272 173 ALA B C 4399 O O . ALA B 156 ? 0.3201 0.2621 0.4194 0.0100 0.1041 0.1266 173 ALA B O 4400 C CB . ALA B 156 ? 0.3230 0.2476 0.3577 0.0211 0.0996 0.1156 173 ALA B CB 4401 N N . ALA B 157 ? 0.3116 0.2374 0.3879 0.0209 0.1255 0.1335 174 ALA B N 4402 C CA . ALA B 157 ? 0.3252 0.2504 0.4198 0.0193 0.1347 0.1414 174 ALA B CA 4403 C C . ALA B 157 ? 0.3201 0.2602 0.4501 0.0145 0.1346 0.1453 174 ALA B C 4404 O O . ALA B 157 ? 0.3483 0.2938 0.4989 0.0084 0.1320 0.1480 174 ALA B O 4405 C CB . ALA B 157 ? 0.3480 0.2601 0.4279 0.0258 0.1516 0.1477 174 ALA B CB 4406 N N . ALA B 158 ? 0.3144 0.2610 0.4520 0.0168 0.1371 0.1460 175 ALA B N 4407 C CA . ALA B 158 ? 0.3268 0.2895 0.5002 0.0127 0.1368 0.1517 175 ALA B CA 4408 C C . ALA B 158 ? 0.3084 0.2844 0.4959 0.0037 0.1189 0.1474 175 ALA B C 4409 O O . ALA B 158 ? 0.3120 0.2986 0.5265 -0.0031 0.1161 0.1518 175 ALA B O 4410 C CB . ALA B 158 ? 0.3174 0.2834 0.4957 0.0181 0.1438 0.1540 175 ALA B CB 4411 N N . LEU B 159 ? 0.2979 0.2728 0.4661 0.0031 0.1071 0.1387 176 LEU B N 4412 C CA . LEU B 159 ? 0.2804 0.2652 0.4565 -0.0055 0.0909 0.1334 176 LEU B CA 4413 C C . LEU B 159 ? 0.2732 0.2543 0.4535 -0.0118 0.0885 0.1325 176 LEU B C 4414 O O . LEU B 159 ? 0.2874 0.2783 0.4879 -0.0209 0.0809 0.1329 176 LEU B O 4415 C CB . LEU B 159 ? 0.2971 0.2786 0.4488 -0.0041 0.0810 0.1242 176 LEU B CB 4416 C CG . LEU B 159 ? 0.3266 0.3127 0.4756 0.0002 0.0807 0.1238 176 LEU B CG 4417 C CD1 . LEU B 159 ? 0.2581 0.2378 0.3798 0.0021 0.0728 0.1145 176 LEU B CD1 4418 C CD2 . LEU B 159 ? 0.2828 0.2866 0.4591 -0.0050 0.0736 0.1280 176 LEU B CD2 4419 N N . ASN B 160 ? 0.3191 0.2854 0.4799 -0.0073 0.0948 0.1314 177 ASN B N 4420 C CA . ASN B 160 ? 0.3090 0.2691 0.4729 -0.0120 0.0946 0.1310 177 ASN B CA 4421 C C . ASN B 160 ? 0.2737 0.2400 0.4668 -0.0173 0.1007 0.1389 177 ASN B C 4422 O O . ASN B 160 ? 0.3082 0.2777 0.5156 -0.0265 0.0946 0.1372 177 ASN B O 4423 C CB . ASN B 160 ? 0.3115 0.2554 0.4516 -0.0048 0.1023 0.1317 177 ASN B CB 4424 C CG . ASN B 160 ? 0.3456 0.2819 0.4883 -0.0089 0.1020 0.1313 177 ASN B CG 4425 O OD1 . ASN B 160 ? 0.3298 0.2634 0.4870 -0.0107 0.1105 0.1378 177 ASN B OD1 4426 N ND2 . ASN B 160 ? 0.3567 0.2891 0.4867 -0.0105 0.0928 0.1237 177 ASN B ND2 4427 N N . ALA B 161 ? 0.3075 0.2748 0.5093 -0.0118 0.1134 0.1473 178 ALA B N 4428 C CA . ALA B 161 ? 0.3292 0.3022 0.5601 -0.0155 0.1218 0.1564 178 ALA B CA 4429 C C . ALA B 161 ? 0.2854 0.2775 0.5475 -0.0252 0.1119 0.1581 178 ALA B C 4430 O O . ALA B 161 ? 0.3273 0.3253 0.6151 -0.0316 0.1145 0.1640 178 ALA B O 4431 C CB . ALA B 161 ? 0.3198 0.2886 0.5516 -0.0066 0.1394 0.1650 178 ALA B CB 4432 N N . THR B 162 ? 0.3167 0.3187 0.5766 -0.0268 0.1000 0.1535 179 THR B N 4433 C CA . THR B 162 ? 0.2632 0.2841 0.5500 -0.0367 0.0881 0.1554 179 THR B CA 4434 C C . THR B 162 ? 0.3515 0.3724 0.6405 -0.0491 0.0762 0.1490 179 THR B C 4435 O O . THR B 162 ? 0.3355 0.3707 0.6487 -0.0596 0.0676 0.1517 179 THR B O 4436 C CB . THR B 162 ? 0.3010 0.3319 0.5830 -0.0354 0.0778 0.1525 179 THR B CB 4437 O OG1 . THR B 162 ? 0.2728 0.2962 0.5280 -0.0374 0.0670 0.1410 179 THR B OG1 4438 C CG2 . THR B 162 ? 0.2691 0.2973 0.5456 -0.0234 0.0895 0.1569 179 THR B CG2 4439 N N . GLY B 163 ? 0.2912 0.2962 0.5547 -0.0480 0.0756 0.1406 180 GLY B N 4440 C CA . GLY B 163 ? 0.2771 0.2783 0.5386 -0.0589 0.0662 0.1329 180 GLY B CA 4441 C C . GLY B 163 ? 0.2709 0.2774 0.5213 -0.0650 0.0506 0.1237 180 GLY B C 4442 O O . GLY B 163 ? 0.3884 0.3885 0.6313 -0.0732 0.0439 0.1155 180 GLY B O 4443 N N . ARG B 164 ? 0.3011 0.3184 0.5502 -0.0611 0.0457 0.1251 181 ARG B N 4444 C CA . ARG B 164 ? 0.3176 0.3400 0.5547 -0.0662 0.0316 0.1172 181 ARG B CA 4445 C C . ARG B 164 ? 0.2551 0.2651 0.4619 -0.0571 0.0331 0.1098 181 ARG B C 4446 O O . ARG B 164 ? 0.2638 0.2714 0.4636 -0.0463 0.0408 0.1134 181 ARG B O 4447 C CB . ARG B 164 ? 0.2940 0.3354 0.5474 -0.0673 0.0248 0.1236 181 ARG B CB 4448 C CG . ARG B 164 ? 0.3368 0.3837 0.5777 -0.0732 0.0101 0.1165 181 ARG B CG 4449 C CD . ARG B 164 ? 0.2779 0.3439 0.5356 -0.0742 0.0029 0.1241 181 ARG B CD 4450 N NE . ARG B 164 ? 0.2553 0.3257 0.4994 -0.0813 -0.0115 0.1173 181 ARG B NE 4451 C CZ . ARG B 164 ? 0.2905 0.3671 0.5380 -0.0956 -0.0240 0.1141 181 ARG B CZ 4452 N NH1 . ARG B 164 ? 0.2871 0.3673 0.5534 -0.1050 -0.0249 0.1170 181 ARG B NH1 4453 N NH2 . ARG B 164 ? 0.2959 0.3747 0.5274 -0.1013 -0.0357 0.1078 181 ARG B NH2 4454 N N . PRO B 165 ? 0.2801 0.2822 0.4697 -0.0618 0.0261 0.0996 182 PRO B N 4455 C CA . PRO B 165 ? 0.2629 0.2561 0.4268 -0.0539 0.0259 0.0932 182 PRO B CA 4456 C C . PRO B 165 ? 0.2907 0.2943 0.4509 -0.0505 0.0203 0.0939 182 PRO B C 4457 O O . PRO B 165 ? 0.2664 0.2808 0.4321 -0.0581 0.0098 0.0924 182 PRO B O 4458 C CB . PRO B 165 ? 0.3285 0.3137 0.4808 -0.0617 0.0194 0.0828 182 PRO B CB 4459 C CG . PRO B 165 ? 0.3554 0.3392 0.5240 -0.0717 0.0201 0.0838 182 PRO B CG 4460 C CD . PRO B 165 ? 0.3344 0.3339 0.5270 -0.0746 0.0192 0.0933 182 PRO B CD 4461 N N . ILE B 166 ? 0.2750 0.2751 0.4263 -0.0394 0.0276 0.0968 183 ILE B N 4462 C CA . ILE B 166 ? 0.2549 0.2619 0.4015 -0.0349 0.0245 0.0974 183 ILE B CA 4463 C C . ILE B 166 ? 0.2489 0.2448 0.3699 -0.0270 0.0267 0.0915 183 ILE B C 4464 O O . ILE B 166 ? 0.2711 0.2571 0.3830 -0.0197 0.0359 0.0934 183 ILE B O 4465 C CB . ILE B 166 ? 0.2808 0.2951 0.4448 -0.0298 0.0326 0.1075 183 ILE B CB 4466 C CG1 . ILE B 166 ? 0.2858 0.3146 0.4786 -0.0383 0.0284 0.1143 183 ILE B CG1 4467 C CG2 . ILE B 166 ? 0.2871 0.3049 0.4445 -0.0236 0.0321 0.1079 183 ILE B CG2 4468 C CD1 . ILE B 166 ? 0.3131 0.3488 0.5282 -0.0333 0.0387 0.1257 183 ILE B CD1 4469 N N . ALA B 167 ? 0.2414 0.2391 0.3506 -0.0289 0.0179 0.0849 184 ALA B N 4470 C CA . ALA B 167 ? 0.2288 0.2178 0.3161 -0.0224 0.0186 0.0795 184 ALA B CA 4471 C C . ALA B 167 ? 0.2389 0.2272 0.3225 -0.0141 0.0253 0.0838 184 ALA B C 4472 O O . ALA B 167 ? 0.2726 0.2695 0.3679 -0.0140 0.0254 0.0883 184 ALA B O 4473 C CB . ALA B 167 ? 0.2502 0.2422 0.3281 -0.0265 0.0087 0.0722 184 ALA B CB 4474 N N . PHE B 168 ? 0.2431 0.2207 0.3105 -0.0074 0.0314 0.0829 185 PHE B N 4475 C CA . PHE B 168 ? 0.2306 0.2044 0.2918 -0.0003 0.0396 0.0865 185 PHE B CA 4476 C C . PHE B 168 ? 0.2463 0.2149 0.2861 0.0034 0.0367 0.0808 185 PHE B C 4477 O O . PHE B 168 ? 0.2506 0.2123 0.2753 0.0050 0.0350 0.0774 185 PHE B O 4478 C CB . PHE B 168 ? 0.2656 0.2306 0.3253 0.0034 0.0505 0.0917 185 PHE B CB 4479 C CG . PHE B 168 ? 0.2567 0.2163 0.3106 0.0098 0.0614 0.0957 185 PHE B CG 4480 C CD1 . PHE B 168 ? 0.2950 0.2603 0.3575 0.0112 0.0636 0.0975 185 PHE B CD1 4481 C CD2 . PHE B 168 ? 0.2703 0.2183 0.3100 0.0144 0.0704 0.0982 185 PHE B CD2 4482 C CE1 . PHE B 168 ? 0.2811 0.2390 0.3376 0.0171 0.0756 0.1006 185 PHE B CE1 4483 C CE2 . PHE B 168 ? 0.3050 0.2459 0.3365 0.0197 0.0818 0.1012 185 PHE B CE2 4484 C CZ . PHE B 168 ? 0.3448 0.2899 0.3845 0.0210 0.0849 0.1018 185 PHE B CZ 4485 N N . SER B 169 ? 0.2527 0.2258 0.2936 0.0044 0.0356 0.0804 186 SER B N 4486 C CA . SER B 169 ? 0.2299 0.1990 0.2534 0.0071 0.0329 0.0752 186 SER B CA 4487 C C . SER B 169 ? 0.2531 0.2140 0.2677 0.0128 0.0432 0.0774 186 SER B C 4488 O O . SER B 169 ? 0.2595 0.2230 0.2864 0.0143 0.0496 0.0819 186 SER B O 4489 C CB . SER B 169 ? 0.2871 0.2657 0.3177 0.0037 0.0250 0.0730 186 SER B CB 4490 O OG . SER B 169 ? 0.2562 0.2310 0.2734 0.0065 0.0245 0.0693 186 SER B OG 4491 N N . CYS B 170 ? 0.2798 0.2305 0.2730 0.0157 0.0452 0.0746 187 CYS B N 4492 C CA . CYS B 170 ? 0.3319 0.2716 0.3113 0.0202 0.0557 0.0760 187 CYS B CA 4493 C C . CYS B 170 ? 0.3176 0.2516 0.2786 0.0211 0.0539 0.0702 187 CYS B C 4494 O O . CYS B 170 ? 0.3419 0.2742 0.2881 0.0201 0.0463 0.0657 187 CYS B O 4495 C CB . CYS B 170 ? 0.3284 0.2594 0.2937 0.0220 0.0592 0.0780 187 CYS B CB 4496 S SG . CYS B 170 ? 0.3388 0.2734 0.3238 0.0209 0.0634 0.0849 187 CYS B SG 4497 N N . SER B 171 ? 0.3225 0.2525 0.2844 0.0232 0.0617 0.0705 188 SER B N 4498 C CA . SER B 171 ? 0.2951 0.2175 0.2387 0.0234 0.0612 0.0644 188 SER B CA 4499 C C . SER B 171 ? 0.3406 0.2480 0.2576 0.0250 0.0679 0.0623 188 SER B C 4500 O O . SER B 171 ? 0.3325 0.2324 0.2318 0.0241 0.0671 0.0566 188 SER B O 4501 C CB . SER B 171 ? 0.3269 0.2506 0.2832 0.0247 0.0666 0.0652 188 SER B CB 4502 O OG . SER B 171 ? 0.3429 0.2813 0.3211 0.0223 0.0583 0.0675 188 SER B OG 4503 N N . TRP B 172 ? 0.3237 0.2266 0.2367 0.0267 0.0740 0.0668 189 TRP B N 4504 C CA . TRP B 172 ? 0.3616 0.2495 0.2479 0.0280 0.0815 0.0660 189 TRP B CA 4505 C C . TRP B 172 ? 0.3563 0.2385 0.2163 0.0253 0.0730 0.0593 189 TRP B C 4506 O O . TRP B 172 ? 0.4172 0.2870 0.2574 0.0248 0.0791 0.0551 189 TRP B O 4507 C CB . TRP B 172 ? 0.3894 0.2764 0.2760 0.0295 0.0848 0.0724 189 TRP B CB 4508 C CG . TRP B 172 ? 0.3620 0.2339 0.2220 0.0309 0.0938 0.0737 189 TRP B CG 4509 C CD1 . TRP B 172 ? 0.4030 0.2604 0.2380 0.0307 0.1013 0.0692 189 TRP B CD1 4510 C CD2 . TRP B 172 ? 0.3828 0.2515 0.2375 0.0323 0.0972 0.0801 189 TRP B CD2 4511 N NE1 . TRP B 172 ? 0.4577 0.3033 0.2700 0.0315 0.1083 0.0723 189 TRP B NE1 4512 C CE2 . TRP B 172 ? 0.4540 0.3066 0.2787 0.0329 0.1061 0.0796 189 TRP B CE2 4513 C CE3 . TRP B 172 ? 0.3960 0.2727 0.2676 0.0327 0.0939 0.0861 189 TRP B CE3 4514 C CZ2 . TRP B 172 ? 0.4768 0.3223 0.2878 0.0342 0.1111 0.0858 189 TRP B CZ2 4515 C CZ3 . TRP B 172 ? 0.4280 0.2972 0.2878 0.0343 0.0995 0.0923 189 TRP B CZ3 4516 C CH2 . TRP B 172 ? 0.4620 0.3163 0.2920 0.0353 0.1079 0.0926 189 TRP B CH2 4517 N N . PRO B 173 ? 0.3498 0.2409 0.2103 0.0231 0.0592 0.0583 190 PRO B N 4518 C CA . PRO B 173 ? 0.3441 0.2306 0.1804 0.0202 0.0510 0.0533 190 PRO B CA 4519 C C . PRO B 173 ? 0.3488 0.2325 0.1797 0.0176 0.0494 0.0460 190 PRO B C 4520 O O . PRO B 173 ? 0.4148 0.2892 0.2217 0.0149 0.0481 0.0414 190 PRO B O 4521 C CB . PRO B 173 ? 0.3817 0.2801 0.2265 0.0193 0.0379 0.0550 190 PRO B CB 4522 C CG . PRO B 173 ? 0.3399 0.2485 0.2127 0.0204 0.0384 0.0579 190 PRO B CG 4523 C CD . PRO B 173 ? 0.3244 0.2280 0.2046 0.0229 0.0516 0.0619 190 PRO B CD 4524 N N . ALA B 174 ? 0.3706 0.2619 0.2231 0.0180 0.0496 0.0451 191 ALA B N 4525 C CA . ALA B 174 ? 0.3486 0.2369 0.1983 0.0160 0.0492 0.0391 191 ALA B CA 4526 C C . ALA B 174 ? 0.4213 0.2923 0.2539 0.0165 0.0624 0.0361 191 ALA B C 4527 O O . ALA B 174 ? 0.5140 0.3770 0.3328 0.0135 0.0620 0.0296 191 ALA B O 4528 C CB . ALA B 174 ? 0.3528 0.2522 0.2296 0.0169 0.0481 0.0408 191 ALA B CB 4529 N N . TYR B 175 ? 0.3903 0.2549 0.2242 0.0202 0.0750 0.0408 192 TYR B N 4530 C CA . TYR B 175 ? 0.4334 0.2794 0.2501 0.0212 0.0905 0.0382 192 TYR B CA 4531 C C . TYR B 175 ? 0.5411 0.3731 0.3226 0.0185 0.0916 0.0352 192 TYR B C 4532 O O . TYR B 175 ? 0.5760 0.3901 0.3376 0.0183 0.1046 0.0317 192 TYR B O 4533 C CB . TYR B 175 ? 0.4715 0.3171 0.3086 0.0267 0.1055 0.0451 192 TYR B CB 4534 C CG . TYR B 175 ? 0.4344 0.2907 0.3021 0.0287 0.1060 0.0476 192 TYR B CG 4535 C CD1 . TYR B 175 ? 0.4539 0.3007 0.3240 0.0303 0.1169 0.0451 192 TYR B CD1 4536 C CD2 . TYR B 175 ? 0.4117 0.2869 0.3047 0.0285 0.0951 0.0523 192 TYR B CD2 4537 C CE1 . TYR B 175 ? 0.4354 0.2930 0.3345 0.0323 0.1163 0.0489 192 TYR B CE1 4538 C CE2 . TYR B 175 ? 0.3889 0.2746 0.3080 0.0295 0.0940 0.0553 192 TYR B CE2 4539 C CZ . TYR B 175 ? 0.4032 0.2808 0.3260 0.0317 0.1042 0.0543 192 TYR B CZ 4540 O OH . TYR B 175 ? 0.3869 0.2764 0.3365 0.0328 0.1018 0.0588 192 TYR B OH 4541 N N . GLU B 176 ? 0.5116 0.3511 0.2851 0.0162 0.0783 0.0368 193 GLU B N 4542 C CA . GLU B 176 ? 0.5429 0.3724 0.2842 0.0132 0.0761 0.0360 193 GLU B CA 4543 C C . GLU B 176 ? 0.5091 0.3431 0.2365 0.0074 0.0595 0.0314 193 GLU B C 4544 O O . GLU B 176 ? 0.5407 0.3718 0.2459 0.0046 0.0531 0.0328 193 GLU B O 4545 C CB . GLU B 176 ? 0.5820 0.4171 0.3273 0.0163 0.0752 0.0449 193 GLU B CB 4546 C CG . GLU B 176 ? 0.7181 0.5519 0.4810 0.0216 0.0899 0.0511 193 GLU B CG 4547 C CD . GLU B 176 ? 0.7507 0.5650 0.4941 0.0227 0.1081 0.0496 193 GLU B CD 4548 O OE1 . GLU B 176 ? 0.7072 0.5071 0.4186 0.0187 0.1093 0.0435 193 GLU B OE1 4549 O OE2 . GLU B 176 ? 0.6989 0.5123 0.4596 0.0272 0.1216 0.0545 193 GLU B OE2 4550 N N . GLY B 177 ? 0.4846 0.3270 0.2266 0.0056 0.0521 0.0270 194 GLY B N 4551 C CA . GLY B 177 ? 0.4495 0.2972 0.1818 0.0000 0.0369 0.0229 194 GLY B CA 4552 C C . GLY B 177 ? 0.4679 0.3339 0.2165 0.0008 0.0226 0.0282 194 GLY B C 4553 O O . GLY B 177 ? 0.4826 0.3553 0.2275 -0.0033 0.0099 0.0259 194 GLY B O 4554 N N . GLY B 178 ? 0.4631 0.3368 0.2306 0.0059 0.0252 0.0351 195 GLY B N 4555 C CA . GLY B 178 ? 0.4128 0.3025 0.2001 0.0074 0.0145 0.0394 195 GLY B CA 4556 C C . GLY B 178 ? 0.4347 0.3286 0.2119 0.0067 0.0048 0.0443 195 GLY B C 4557 O O . GLY B 178 ? 0.3715 0.2775 0.1659 0.0083 -0.0026 0.0481 195 GLY B O 4558 N N . LEU B 179 ? 0.4354 0.3189 0.1847 0.0042 0.0052 0.0448 196 LEU B N 4559 C CA . LEU B 179 ? 0.4711 0.3593 0.2090 0.0027 -0.0060 0.0502 196 LEU B CA 4560 C C . LEU B 179 ? 0.4831 0.3607 0.1986 0.0038 -0.0003 0.0562 196 LEU B C 4561 O O . LEU B 179 ? 0.4656 0.3288 0.1654 0.0035 0.0119 0.0533 196 LEU B O 4562 C CB . LEU B 179 ? 0.4766 0.3655 0.1987 -0.0041 -0.0171 0.0448 196 LEU B CB 4563 C CG . LEU B 179 ? 0.4248 0.3244 0.1669 -0.0060 -0.0240 0.0394 196 LEU B CG 4564 C CD1 . LEU B 179 ? 0.5011 0.3969 0.2242 -0.0140 -0.0315 0.0325 196 LEU B CD1 4565 C CD2 . LEU B 179 ? 0.4197 0.3363 0.1866 -0.0027 -0.0329 0.0456 196 LEU B CD2 4566 N N . PRO B 180 ? 0.4372 0.3214 0.1514 0.0051 -0.0086 0.0650 197 PRO B N 4567 C CA . PRO B 180 ? 0.4695 0.3440 0.1588 0.0052 -0.0054 0.0715 197 PRO B CA 4568 C C . PRO B 180 ? 0.5969 0.4614 0.2514 -0.0023 -0.0097 0.0662 197 PRO B C 4569 O O . PRO B 180 ? 0.5937 0.4637 0.2479 -0.0073 -0.0199 0.0603 197 PRO B O 4570 C CB . PRO B 180 ? 0.5167 0.4035 0.2174 0.0082 -0.0159 0.0823 197 PRO B CB 4571 C CG . PRO B 180 ? 0.5137 0.4153 0.2343 0.0068 -0.0280 0.0796 197 PRO B CG 4572 C CD . PRO B 180 ? 0.4405 0.3412 0.1763 0.0067 -0.0210 0.0697 197 PRO B CD 4573 N N . PRO B 181 ? 0.5676 0.4168 0.1917 -0.0037 -0.0019 0.0679 198 PRO B N 4574 C CA . PRO B 181 ? 0.6067 0.4495 0.2308 0.0020 0.0100 0.0760 198 PRO B CA 4575 C C . PRO B 181 ? 0.5998 0.4338 0.2358 0.0060 0.0286 0.0719 198 PRO B C 4576 O O . PRO B 181 ? 0.6262 0.4581 0.2707 0.0112 0.0383 0.0789 198 PRO B O 4577 C CB . PRO B 181 ? 0.6657 0.4951 0.2482 -0.0026 0.0099 0.0788 198 PRO B CB 4578 C CG . PRO B 181 ? 0.6989 0.5203 0.2578 -0.0110 0.0060 0.0675 198 PRO B CG 4579 C CD . PRO B 181 ? 0.7181 0.5555 0.3035 -0.0122 -0.0060 0.0630 198 PRO B CD 4580 N N . ARG B 182 ? 0.5618 0.3914 0.2009 0.0039 0.0336 0.0616 199 ARG B N 4581 C CA . ARG B 182 ? 0.5552 0.3767 0.2059 0.0078 0.0514 0.0589 199 ARG B CA 4582 C C . ARG B 182 ? 0.5793 0.4143 0.2688 0.0139 0.0532 0.0642 199 ARG B C 4583 O O . ARG B 182 ? 0.5849 0.4156 0.2845 0.0181 0.0667 0.0678 199 ARG B O 4584 C CB . ARG B 182 ? 0.5887 0.4028 0.2361 0.0045 0.0561 0.0478 199 ARG B CB 4585 C CG . ARG B 182 ? 0.6592 0.4540 0.2658 -0.0017 0.0602 0.0412 199 ARG B CG 4586 C CD . ARG B 182 ? 0.7932 0.5821 0.3989 -0.0056 0.0621 0.0299 199 ARG B CD 4587 N NE . ARG B 182 ? 0.7433 0.5266 0.3683 -0.0004 0.0793 0.0281 199 ARG B NE 4588 C CZ . ARG B 182 ? 0.8396 0.6195 0.4740 -0.0013 0.0837 0.0205 199 ARG B CZ 4589 N NH1 . ARG B 182 ? 0.9010 0.6819 0.5271 -0.0077 0.0724 0.0131 199 ARG B NH1 4590 N NH2 . ARG B 182 ? 0.8454 0.6213 0.4993 0.0042 0.0996 0.0211 199 ARG B NH2 4591 N N . VAL B 183 ? 0.5025 0.3536 0.2135 0.0139 0.0398 0.0645 200 VAL B N 4592 C CA . VAL B 183 ? 0.4430 0.3063 0.1880 0.0184 0.0400 0.0689 200 VAL B CA 4593 C C . VAL B 183 ? 0.5538 0.4233 0.3026 0.0207 0.0336 0.0781 200 VAL B C 4594 O O . VAL B 183 ? 0.4874 0.3612 0.2253 0.0187 0.0216 0.0801 200 VAL B O 4595 C CB . VAL B 183 ? 0.4255 0.3014 0.1924 0.0171 0.0311 0.0634 200 VAL B CB 4596 C CG1 . VAL B 183 ? 0.3947 0.2825 0.1930 0.0205 0.0299 0.0677 200 VAL B CG1 4597 C CG2 . VAL B 183 ? 0.4270 0.2971 0.1943 0.0156 0.0385 0.0555 200 VAL B CG2 4598 N N . GLN B 184 ? 0.4536 0.3239 0.2194 0.0247 0.0418 0.0842 201 GLN B N 4599 C CA . GLN B 184 ? 0.4549 0.3292 0.2270 0.0275 0.0384 0.0936 201 GLN B CA 4600 C C . GLN B 184 ? 0.4674 0.3534 0.2727 0.0292 0.0354 0.0936 201 GLN B C 4601 O O . GLN B 184 ? 0.4119 0.2979 0.2351 0.0308 0.0443 0.0947 201 GLN B O 4602 C CB . GLN B 184 ? 0.5198 0.3831 0.2823 0.0302 0.0514 0.1009 201 GLN B CB 4603 C CG . GLN B 184 ? 0.5630 0.4286 0.3290 0.0331 0.0483 0.1116 201 GLN B CG 4604 C CD . GLN B 184 ? 0.7046 0.5605 0.4679 0.0359 0.0624 0.1193 201 GLN B CD 4605 O OE1 . GLN B 184 ? 0.6099 0.4551 0.3587 0.0355 0.0742 0.1175 201 GLN B OE1 4606 N NE2 . GLN B 184 ? 0.5080 0.3669 0.2859 0.0390 0.0622 0.1280 201 GLN B NE2 4607 N N . TYR B 185 ? 0.4191 0.3151 0.2326 0.0283 0.0231 0.0921 202 TYR B N 4608 C CA . TYR B 185 ? 0.4078 0.3134 0.2498 0.0290 0.0207 0.0902 202 TYR B CA 4609 C C . TYR B 185 ? 0.3761 0.2816 0.2335 0.0320 0.0251 0.0976 202 TYR B C 4610 O O . TYR B 185 ? 0.3742 0.2837 0.2534 0.0317 0.0275 0.0956 202 TYR B O 4611 C CB . TYR B 185 ? 0.4167 0.3322 0.2640 0.0274 0.0082 0.0865 202 TYR B CB 4612 C CG . TYR B 185 ? 0.3543 0.2717 0.1983 0.0239 0.0058 0.0773 202 TYR B CG 4613 C CD1 . TYR B 185 ? 0.3397 0.2598 0.2000 0.0229 0.0100 0.0720 202 TYR B CD1 4614 C CD2 . TYR B 185 ? 0.4031 0.3193 0.2276 0.0210 -0.0008 0.0744 202 TYR B CD2 4615 C CE1 . TYR B 185 ? 0.3392 0.2604 0.1971 0.0201 0.0085 0.0647 202 TYR B CE1 4616 C CE2 . TYR B 185 ? 0.3874 0.3039 0.2094 0.0176 -0.0021 0.0659 202 TYR B CE2 4617 C CZ . TYR B 185 ? 0.3613 0.2802 0.2005 0.0176 0.0029 0.0614 202 TYR B CZ 4618 O OH . TYR B 185 ? 0.3641 0.2828 0.2017 0.0147 0.0023 0.0541 202 TYR B OH 4619 N N . SER B 186 ? 0.3732 0.2736 0.2187 0.0345 0.0259 0.1063 203 SER B N 4620 C CA . SER B 186 ? 0.3836 0.2818 0.2430 0.0374 0.0318 0.1139 203 SER B CA 4621 C C . SER B 186 ? 0.4432 0.3363 0.3120 0.0370 0.0443 0.1134 203 SER B C 4622 O O . SER B 186 ? 0.4117 0.3067 0.3023 0.0371 0.0478 0.1144 203 SER B O 4623 C CB . SER B 186 ? 0.4408 0.3338 0.2836 0.0403 0.0309 0.1246 203 SER B CB 4624 O OG . SER B 186 ? 0.4957 0.3798 0.3118 0.0394 0.0358 0.1257 203 SER B OG 4625 N N . LEU B 187 ? 0.4260 0.3127 0.2794 0.0363 0.0513 0.1116 204 LEU B N 4626 C CA . LEU B 187 ? 0.3978 0.2811 0.2626 0.0362 0.0635 0.1117 204 LEU B CA 4627 C C . LEU B 187 ? 0.3670 0.2592 0.2537 0.0335 0.0612 0.1042 204 LEU B C 4628 O O . LEU B 187 ? 0.3811 0.2764 0.2896 0.0326 0.0656 0.1054 204 LEU B O 4629 C CB . LEU B 187 ? 0.4470 0.3200 0.2902 0.0366 0.0735 0.1119 204 LEU B CB 4630 C CG . LEU B 187 ? 0.4656 0.3363 0.3237 0.0369 0.0872 0.1124 204 LEU B CG 4631 C CD1 . LEU B 187 ? 0.4858 0.3561 0.3613 0.0382 0.0939 0.1205 204 LEU B CD1 4632 C CD2 . LEU B 187 ? 0.5210 0.3797 0.3561 0.0378 0.0986 0.1121 204 LEU B CD2 4633 N N . LEU B 188 ? 0.3608 0.2573 0.2418 0.0316 0.0538 0.0968 205 LEU B N 4634 C CA . LEU B 188 ? 0.3182 0.2233 0.2185 0.0290 0.0510 0.0905 205 LEU B CA 4635 C C . LEU B 188 ? 0.3395 0.2516 0.2613 0.0276 0.0464 0.0907 205 LEU B C 4636 O O . LEU B 188 ? 0.3386 0.2553 0.2794 0.0252 0.0488 0.0895 205 LEU B O 4637 C CB . LEU B 188 ? 0.3705 0.2792 0.2620 0.0272 0.0429 0.0831 205 LEU B CB 4638 C CG . LEU B 188 ? 0.4664 0.3682 0.3418 0.0271 0.0486 0.0800 205 LEU B CG 4639 C CD1 . LEU B 188 ? 0.4360 0.3410 0.3026 0.0248 0.0391 0.0730 205 LEU B CD1 4640 C CD2 . LEU B 188 ? 0.5119 0.4143 0.4031 0.0273 0.0583 0.0800 205 LEU B CD2 4641 N N . ALA B 189 ? 0.3447 0.2574 0.2641 0.0288 0.0402 0.0927 206 ALA B N 4642 C CA . ALA B 189 ? 0.3439 0.2609 0.2824 0.0273 0.0371 0.0919 206 ALA B CA 4643 C C . ALA B 189 ? 0.3583 0.2717 0.3114 0.0267 0.0456 0.0965 206 ALA B C 4644 O O . ALA B 189 ? 0.3434 0.2600 0.3141 0.0232 0.0449 0.0938 206 ALA B O 4645 C CB . ALA B 189 ? 0.3673 0.2844 0.3015 0.0298 0.0308 0.0945 206 ALA B CB 4646 N N . ASP B 190 ? 0.3469 0.2531 0.2915 0.0294 0.0537 0.1035 207 ASP B N 4647 C CA . ASP B 190 ? 0.3313 0.2337 0.2895 0.0288 0.0627 0.1089 207 ASP B CA 4648 C C . ASP B 190 ? 0.3379 0.2439 0.3095 0.0258 0.0685 0.1073 207 ASP B C 4649 O O . ASP B 190 ? 0.3782 0.2842 0.3674 0.0234 0.0737 0.1103 207 ASP B O 4650 C CB . ASP B 190 ? 0.3444 0.2372 0.2880 0.0330 0.0704 0.1180 207 ASP B CB 4651 C CG . ASP B 190 ? 0.4769 0.3659 0.4192 0.0357 0.0680 0.1239 207 ASP B CG 4652 O OD1 . ASP B 190 ? 0.4196 0.3127 0.3704 0.0350 0.0605 0.1204 207 ASP B OD1 4653 O OD2 . ASP B 190 ? 0.5010 0.3822 0.4335 0.0389 0.0745 0.1327 207 ASP B OD2 4654 N N . ILE B 191 ? 0.3018 0.2106 0.2665 0.0258 0.0682 0.1035 208 ILE B N 4655 C CA . ILE B 191 ? 0.3042 0.2170 0.2836 0.0239 0.0745 0.1038 208 ILE B CA 4656 C C . ILE B 191 ? 0.3194 0.2427 0.3111 0.0200 0.0670 0.0974 208 ILE B C 4657 O O . ILE B 191 ? 0.3147 0.2438 0.3236 0.0178 0.0704 0.0988 208 ILE B O 4658 C CB . ILE B 191 ? 0.3445 0.2503 0.3103 0.0276 0.0851 0.1070 208 ILE B CB 4659 C CG1 . ILE B 191 ? 0.3394 0.2423 0.2826 0.0292 0.0809 0.1017 208 ILE B CG1 4660 C CG2 . ILE B 191 ? 0.3328 0.2279 0.2880 0.0308 0.0944 0.1150 208 ILE B CG2 4661 C CD1 . ILE B 191 ? 0.3950 0.2930 0.3323 0.0311 0.0914 0.1018 208 ILE B CD1 4662 N N . CYS B 192 ? 0.2837 0.2100 0.2675 0.0192 0.0569 0.0912 209 CYS B N 4663 C CA . CYS B 192 ? 0.2971 0.2325 0.2892 0.0157 0.0497 0.0854 209 CYS B CA 4664 C C . CYS B 192 ? 0.2883 0.2278 0.2842 0.0123 0.0402 0.0803 209 CYS B C 4665 O O . CYS B 192 ? 0.2746 0.2097 0.2613 0.0143 0.0377 0.0800 209 CYS B O 4666 C CB . CYS B 192 ? 0.3156 0.2496 0.2917 0.0181 0.0484 0.0819 209 CYS B CB 4667 S SG . CYS B 192 ? 0.3675 0.2934 0.3339 0.0223 0.0611 0.0859 209 CYS B SG 4668 N N . ASN B 193 ? 0.2550 0.2028 0.2642 0.0072 0.0351 0.0767 210 ASN B N 4669 C CA . ASN B 193 ? 0.2455 0.1964 0.2561 0.0035 0.0268 0.0707 210 ASN B CA 4670 C C . ASN B 193 ? 0.2437 0.1970 0.2423 0.0048 0.0205 0.0655 210 ASN B C 4671 O O . ASN B 193 ? 0.2389 0.1926 0.2351 0.0035 0.0153 0.0612 210 ASN B O 4672 C CB . ASN B 193 ? 0.2459 0.2043 0.2727 -0.0037 0.0232 0.0687 210 ASN B CB 4673 C CG . ASN B 193 ? 0.2433 0.1998 0.2839 -0.0072 0.0276 0.0724 210 ASN B CG 4674 O OD1 . ASN B 193 ? 0.2532 0.2153 0.3077 -0.0099 0.0298 0.0764 210 ASN B OD1 4675 N ND2 . ASN B 193 ? 0.2455 0.1944 0.2843 -0.0073 0.0291 0.0715 210 ASN B ND2 4676 N N . LEU B 194 ? 0.2475 0.2019 0.2401 0.0071 0.0219 0.0661 211 LEU B N 4677 C CA . LEU B 194 ? 0.2403 0.1962 0.2215 0.0081 0.0167 0.0615 211 LEU B CA 4678 C C . LEU B 194 ? 0.2505 0.2027 0.2230 0.0114 0.0220 0.0633 211 LEU B C 4679 O O . LEU B 194 ? 0.2717 0.2225 0.2507 0.0124 0.0294 0.0677 211 LEU B O 4680 C CB . LEU B 194 ? 0.2543 0.2183 0.2432 0.0035 0.0100 0.0569 211 LEU B CB 4681 C CG . LEU B 194 ? 0.2330 0.2039 0.2347 0.0005 0.0103 0.0588 211 LEU B CG 4682 C CD1 . LEU B 194 ? 0.2252 0.2029 0.2274 -0.0026 0.0031 0.0547 211 LEU B CD1 4683 C CD2 . LEU B 194 ? 0.2179 0.1919 0.2351 -0.0037 0.0112 0.0618 211 LEU B CD2 4684 N N . TRP B 195 ? 0.2453 0.1952 0.2033 0.0128 0.0189 0.0598 212 TRP B N 4685 C CA . TRP B 195 ? 0.2467 0.1906 0.1931 0.0152 0.0243 0.0599 212 TRP B CA 4686 C C . TRP B 195 ? 0.2833 0.2286 0.2221 0.0140 0.0189 0.0544 212 TRP B C 4687 O O . TRP B 195 ? 0.2674 0.2152 0.2010 0.0128 0.0113 0.0512 212 TRP B O 4688 C CB . TRP B 195 ? 0.2775 0.2117 0.2064 0.0182 0.0285 0.0625 212 TRP B CB 4689 C CG . TRP B 195 ? 0.2735 0.2084 0.1946 0.0183 0.0211 0.0620 212 TRP B CG 4690 C CD1 . TRP B 195 ? 0.2806 0.2162 0.1900 0.0176 0.0137 0.0584 212 TRP B CD1 4691 C CD2 . TRP B 195 ? 0.2675 0.2030 0.1952 0.0191 0.0203 0.0658 212 TRP B CD2 4692 N NE1 . TRP B 195 ? 0.2720 0.2097 0.1814 0.0185 0.0084 0.0605 212 TRP B NE1 4693 C CE2 . TRP B 195 ? 0.2984 0.2353 0.2185 0.0196 0.0128 0.0650 212 TRP B CE2 4694 C CE3 . TRP B 195 ? 0.2873 0.2220 0.2276 0.0192 0.0257 0.0702 212 TRP B CE3 4695 C CZ2 . TRP B 195 ? 0.3480 0.2849 0.2731 0.0212 0.0113 0.0688 212 TRP B CZ2 4696 C CZ3 . TRP B 195 ? 0.3628 0.2966 0.3068 0.0201 0.0241 0.0731 212 TRP B CZ3 4697 C CH2 . TRP B 195 ? 0.3719 0.3065 0.3083 0.0214 0.0173 0.0725 212 TRP B CH2 4698 N N . ARG B 196 ? 0.2625 0.2056 0.2016 0.0146 0.0239 0.0540 213 ARG B N 4699 C CA . ARG B 196 ? 0.2708 0.2125 0.2012 0.0136 0.0209 0.0490 213 ARG B CA 4700 C C . ARG B 196 ? 0.3228 0.2540 0.2299 0.0145 0.0224 0.0467 213 ARG B C 4701 O O . ARG B 196 ? 0.3288 0.2504 0.2264 0.0165 0.0315 0.0484 213 ARG B O 4702 C CB . ARG B 196 ? 0.2685 0.2109 0.2094 0.0141 0.0266 0.0501 213 ARG B CB 4703 C CG . ARG B 196 ? 0.2728 0.2273 0.2339 0.0117 0.0214 0.0518 213 ARG B CG 4704 C CD . ARG B 196 ? 0.2260 0.1844 0.1841 0.0091 0.0134 0.0469 213 ARG B CD 4705 N NE . ARG B 196 ? 0.2418 0.1915 0.1874 0.0102 0.0172 0.0436 213 ARG B NE 4706 C CZ . ARG B 196 ? 0.2474 0.1931 0.1976 0.0120 0.0245 0.0453 213 ARG B CZ 4707 N NH1 . ARG B 196 ? 0.2571 0.2099 0.2268 0.0128 0.0271 0.0512 213 ARG B NH1 4708 N NH2 . ARG B 196 ? 0.2635 0.1984 0.1994 0.0125 0.0289 0.0412 213 ARG B NH2 4709 N N . ASN B 197 ? 0.3135 0.2468 0.2116 0.0126 0.0136 0.0434 214 ASN B N 4710 C CA . ASN B 197 ? 0.3335 0.2591 0.2094 0.0121 0.0119 0.0417 214 ASN B CA 4711 C C . ASN B 197 ? 0.3247 0.2427 0.1875 0.0100 0.0138 0.0362 214 ASN B C 4712 O O . ASN B 197 ? 0.3382 0.2465 0.1800 0.0088 0.0154 0.0345 214 ASN B O 4713 C CB . ASN B 197 ? 0.3425 0.2753 0.2171 0.0105 0.0006 0.0409 214 ASN B CB 4714 C CG . ASN B 197 ? 0.3439 0.2839 0.2327 0.0121 -0.0020 0.0449 214 ASN B CG 4715 O OD1 . ASN B 197 ? 0.3319 0.2786 0.2373 0.0115 -0.0027 0.0442 214 ASN B OD1 4716 N ND2 . ASN B 197 ? 0.2817 0.2202 0.1631 0.0137 -0.0041 0.0491 214 ASN B ND2 4717 N N . TYR B 198 ? 0.3046 0.2269 0.1790 0.0087 0.0129 0.0334 215 TYR B N 4718 C CA . TYR B 198 ? 0.3075 0.2244 0.1714 0.0057 0.0117 0.0275 215 TYR B CA 4719 C C . TYR B 198 ? 0.2858 0.2015 0.1617 0.0065 0.0183 0.0268 215 TYR B C 4720 O O . TYR B 198 ? 0.3131 0.2322 0.2049 0.0094 0.0239 0.0315 215 TYR B O 4721 C CB . TYR B 198 ? 0.2789 0.2044 0.1426 0.0024 -0.0005 0.0248 215 TYR B CB 4722 C CG . TYR B 198 ? 0.3267 0.2470 0.1773 -0.0019 -0.0038 0.0188 215 TYR B CG 4723 C CD1 . TYR B 198 ? 0.3611 0.2693 0.1886 -0.0042 -0.0016 0.0159 215 TYR B CD1 4724 C CD2 . TYR B 198 ? 0.3101 0.2368 0.1703 -0.0044 -0.0089 0.0158 215 TYR B CD2 4725 C CE1 . TYR B 198 ? 0.3857 0.2881 0.2004 -0.0095 -0.0047 0.0097 215 TYR B CE1 4726 C CE2 . TYR B 198 ? 0.3549 0.2763 0.2039 -0.0092 -0.0116 0.0101 215 TYR B CE2 4727 C CZ . TYR B 198 ? 0.4052 0.3145 0.2315 -0.0120 -0.0099 0.0069 215 TYR B CZ 4728 O OH . TYR B 198 ? 0.4710 0.3737 0.2846 -0.0180 -0.0128 0.0006 215 TYR B OH 4729 N N . ASP B 199 ? 0.3188 0.2304 0.1889 0.0036 0.0170 0.0216 216 ASP B N 4730 C CA . ASP B 199 ? 0.3251 0.2333 0.2045 0.0044 0.0239 0.0211 216 ASP B CA 4731 C C . ASP B 199 ? 0.2952 0.2167 0.1988 0.0058 0.0211 0.0259 216 ASP B C 4732 O O . ASP B 199 ? 0.2860 0.2189 0.1967 0.0043 0.0119 0.0266 216 ASP B O 4733 C CB . ASP B 199 ? 0.3537 0.2565 0.2235 0.0001 0.0208 0.0145 216 ASP B CB 4734 C CG . ASP B 199 ? 0.5266 0.4145 0.3706 -0.0030 0.0235 0.0086 216 ASP B CG 4735 O OD1 . ASP B 199 ? 0.4895 0.3689 0.3214 -0.0013 0.0300 0.0097 216 ASP B OD1 4736 O OD2 . ASP B 199 ? 0.5934 0.4782 0.4291 -0.0079 0.0187 0.0029 216 ASP B OD2 4737 N N . ASP B 200 ? 0.2707 0.1902 0.1863 0.0084 0.0294 0.0293 217 ASP B N 4738 C CA . ASP B 200 ? 0.2346 0.1665 0.1717 0.0089 0.0261 0.0344 217 ASP B CA 4739 C C . ASP B 200 ? 0.2674 0.2047 0.2046 0.0052 0.0175 0.0309 217 ASP B C 4740 O O . ASP B 200 ? 0.2561 0.1854 0.1834 0.0033 0.0184 0.0259 217 ASP B O 4741 C CB . ASP B 200 ? 0.2725 0.2006 0.2224 0.0123 0.0362 0.0390 217 ASP B CB 4742 C CG . ASP B 200 ? 0.3380 0.2623 0.2935 0.0165 0.0466 0.0441 217 ASP B CG 4743 O OD1 . ASP B 200 ? 0.2917 0.2139 0.2384 0.0168 0.0471 0.0435 217 ASP B OD1 4744 O OD2 . ASP B 200 ? 0.3063 0.2294 0.2765 0.0198 0.0551 0.0494 217 ASP B OD2 4745 N N . ILE B 201 ? 0.2485 0.1987 0.1970 0.0038 0.0097 0.0336 218 ILE B N 4746 C CA . ILE B 201 ? 0.2160 0.1720 0.1665 0.0006 0.0028 0.0315 218 ILE B CA 4747 C C . ILE B 201 ? 0.2489 0.2047 0.2103 0.0015 0.0069 0.0354 218 ILE B C 4748 O O . ILE B 201 ? 0.2332 0.1906 0.2066 0.0044 0.0120 0.0417 218 ILE B O 4749 C CB . ILE B 201 ? 0.1917 0.1596 0.1484 -0.0015 -0.0052 0.0327 218 ILE B CB 4750 C CG1 . ILE B 201 ? 0.2251 0.1975 0.1806 -0.0049 -0.0115 0.0294 218 ILE B CG1 4751 C CG2 . ILE B 201 ? 0.1897 0.1659 0.1617 -0.0011 -0.0053 0.0393 218 ILE B CG2 4752 C CD1 . ILE B 201 ? 0.2159 0.1961 0.1721 -0.0069 -0.0179 0.0280 218 ILE B CD1 4753 N N . GLN B 202 ? 0.2158 0.1695 0.1741 -0.0007 0.0051 0.0322 219 GLN B N 4754 C CA . GLN B 202 ? 0.2241 0.1779 0.1931 0.0000 0.0083 0.0366 219 GLN B CA 4755 C C . GLN B 202 ? 0.2072 0.1705 0.1792 -0.0037 0.0001 0.0366 219 GLN B C 4756 O O . GLN B 202 ? 0.2051 0.1720 0.1697 -0.0065 -0.0061 0.0319 219 GLN B O 4757 C CB . GLN B 202 ? 0.2414 0.1803 0.2026 0.0003 0.0161 0.0324 219 GLN B CB 4758 C CG . GLN B 202 ? 0.3078 0.2341 0.2606 0.0032 0.0256 0.0303 219 GLN B CG 4759 C CD . GLN B 202 ? 0.3667 0.2948 0.3347 0.0084 0.0333 0.0387 219 GLN B CD 4760 O OE1 . GLN B 202 ? 0.3231 0.2593 0.3088 0.0101 0.0331 0.0464 219 GLN B OE1 4761 N NE2 . GLN B 202 ? 0.3727 0.2939 0.3343 0.0108 0.0399 0.0379 219 GLN B NE2 4762 N N . ASP B 203 ? 0.2184 0.1851 0.2010 -0.0034 0.0008 0.0424 220 ASP B N 4763 C CA . ASP B 203 ? 0.2146 0.1905 0.1996 -0.0070 -0.0062 0.0436 220 ASP B CA 4764 C C . ASP B 203 ? 0.2067 0.1767 0.1840 -0.0098 -0.0064 0.0377 220 ASP B C 4765 O O . ASP B 203 ? 0.2147 0.1827 0.1969 -0.0102 -0.0042 0.0406 220 ASP B O 4766 C CB . ASP B 203 ? 0.1996 0.1827 0.1986 -0.0060 -0.0064 0.0536 220 ASP B CB 4767 C CG . ASP B 203 ? 0.1892 0.1831 0.1885 -0.0103 -0.0145 0.0559 220 ASP B CG 4768 O OD1 . ASP B 203 ? 0.2194 0.2144 0.2091 -0.0135 -0.0186 0.0494 220 ASP B OD1 4769 O OD2 . ASP B 203 ? 0.2190 0.2199 0.2281 -0.0104 -0.0164 0.0648 220 ASP B OD2 4770 N N . SER B 204 ? 0.2086 0.1761 0.1751 -0.0117 -0.0090 0.0302 221 SER B N 4771 C CA . SER B 204 ? 0.2093 0.1730 0.1697 -0.0152 -0.0104 0.0244 221 SER B CA 4772 C C . SER B 204 ? 0.1674 0.1358 0.1211 -0.0174 -0.0165 0.0193 221 SER B C 4773 O O . SER B 204 ? 0.1896 0.1591 0.1398 -0.0158 -0.0178 0.0185 221 SER B O 4774 C CB . SER B 204 ? 0.2602 0.2098 0.2142 -0.0152 -0.0041 0.0205 221 SER B CB 4775 O OG . SER B 204 ? 0.2626 0.2064 0.2055 -0.0148 -0.0036 0.0157 221 SER B OG 4776 N N . TRP B 205 ? 0.1940 0.1654 0.1477 -0.0210 -0.0198 0.0165 222 TRP B N 4777 C CA . TRP B 205 ? 0.2105 0.1866 0.1606 -0.0228 -0.0251 0.0123 222 TRP B CA 4778 C C . TRP B 205 ? 0.2083 0.1774 0.1487 -0.0235 -0.0258 0.0078 222 TRP B C 4779 O O . TRP B 205 ? 0.2193 0.1918 0.1561 -0.0228 -0.0296 0.0068 222 TRP B O 4780 C CB . TRP B 205 ? 0.2038 0.1849 0.1583 -0.0264 -0.0274 0.0111 222 TRP B CB 4781 C CG . TRP B 205 ? 0.1948 0.1825 0.1499 -0.0279 -0.0323 0.0082 222 TRP B CG 4782 C CD1 . TRP B 205 ? 0.2157 0.2046 0.1720 -0.0316 -0.0350 0.0050 222 TRP B CD1 4783 C CD2 . TRP B 205 ? 0.1837 0.1784 0.1408 -0.0260 -0.0346 0.0090 222 TRP B CD2 4784 N NE1 . TRP B 205 ? 0.2306 0.2279 0.1909 -0.0315 -0.0390 0.0046 222 TRP B NE1 4785 C CE2 . TRP B 205 ? 0.2290 0.2290 0.1895 -0.0278 -0.0383 0.0068 222 TRP B CE2 4786 C CE3 . TRP B 205 ? 0.1699 0.1665 0.1272 -0.0232 -0.0338 0.0114 222 TRP B CE3 4787 C CZ2 . TRP B 205 ? 0.2252 0.2318 0.1899 -0.0260 -0.0400 0.0074 222 TRP B CZ2 4788 C CZ3 . TRP B 205 ? 0.1828 0.1847 0.1424 -0.0222 -0.0355 0.0109 222 TRP B CZ3 4789 C CH2 . TRP B 205 ? 0.2288 0.2352 0.1923 -0.0231 -0.0381 0.0090 222 TRP B CH2 4790 N N . TRP B 206 ? 0.2478 0.2062 0.1828 -0.0250 -0.0218 0.0053 223 TRP B N 4791 C CA . TRP B 206 ? 0.2707 0.2203 0.1927 -0.0267 -0.0220 0.0005 223 TRP B CA 4792 C C . TRP B 206 ? 0.2328 0.1812 0.1494 -0.0226 -0.0206 0.0024 223 TRP B C 4793 O O . TRP B 206 ? 0.2375 0.1853 0.1445 -0.0234 -0.0244 0.0003 223 TRP B O 4794 C CB . TRP B 206 ? 0.2718 0.2068 0.1878 -0.0286 -0.0152 -0.0026 223 TRP B CB 4795 C CG . TRP B 206 ? 0.3304 0.2544 0.2295 -0.0317 -0.0151 -0.0084 223 TRP B CG 4796 C CD1 . TRP B 206 ? 0.4426 0.3635 0.3332 -0.0385 -0.0201 -0.0143 223 TRP B CD1 4797 C CD2 . TRP B 206 ? 0.4001 0.3150 0.2876 -0.0290 -0.0101 -0.0089 223 TRP B CD2 4798 N NE1 . TRP B 206 ? 0.4309 0.3408 0.3031 -0.0406 -0.0192 -0.0186 223 TRP B NE1 4799 C CE2 . TRP B 206 ? 0.4586 0.3640 0.3281 -0.0345 -0.0123 -0.0155 223 TRP B CE2 4800 C CE3 . TRP B 206 ? 0.4361 0.3500 0.3269 -0.0228 -0.0039 -0.0042 223 TRP B CE3 4801 C CZ2 . TRP B 206 ? 0.6416 0.5356 0.4940 -0.0339 -0.0079 -0.0177 223 TRP B CZ2 4802 C CZ3 . TRP B 206 ? 0.5785 0.4815 0.4547 -0.0216 0.0011 -0.0061 223 TRP B CZ3 4803 C CH2 . TRP B 206 ? 0.6127 0.5054 0.4688 -0.0271 -0.0005 -0.0129 223 TRP B CH2 4804 N N . SER B 207 ? 0.2247 0.1730 0.1479 -0.0183 -0.0153 0.0071 224 SER B N 4805 C CA . SER B 207 ? 0.2336 0.1810 0.1542 -0.0145 -0.0130 0.0096 224 SER B CA 4806 C C . SER B 207 ? 0.2248 0.1823 0.1471 -0.0139 -0.0196 0.0107 224 SER B C 4807 O O . SER B 207 ? 0.2552 0.2105 0.1693 -0.0130 -0.0205 0.0102 224 SER B O 4808 C CB . SER B 207 ? 0.2495 0.1977 0.1812 -0.0105 -0.0070 0.0156 224 SER B CB 4809 O OG . SER B 207 ? 0.2420 0.1896 0.1727 -0.0072 -0.0043 0.0182 224 SER B OG 4810 N N . VAL B 208 ? 0.2053 0.1728 0.1375 -0.0146 -0.0234 0.0124 225 VAL B N 4811 C CA . VAL B 208 ? 0.2011 0.1768 0.1361 -0.0141 -0.0283 0.0130 225 VAL B CA 4812 C C . VAL B 208 ? 0.2064 0.1823 0.1345 -0.0158 -0.0330 0.0100 225 VAL B C 4813 O O . VAL B 208 ? 0.2225 0.1996 0.1478 -0.0140 -0.0350 0.0112 225 VAL B O 4814 C CB . VAL B 208 ? 0.2020 0.1863 0.1464 -0.0156 -0.0304 0.0139 225 VAL B CB 4815 C CG1 . VAL B 208 ? 0.2210 0.2118 0.1685 -0.0151 -0.0337 0.0138 225 VAL B CG1 4816 C CG2 . VAL B 208 ? 0.2101 0.1957 0.1606 -0.0148 -0.0274 0.0179 225 VAL B CG2 4817 N N . LEU B 209 ? 0.2213 0.1962 0.1476 -0.0195 -0.0353 0.0069 226 LEU B N 4818 C CA . LEU B 209 ? 0.2332 0.2098 0.1541 -0.0221 -0.0413 0.0048 226 LEU B CA 4819 C C . LEU B 209 ? 0.2653 0.2335 0.1712 -0.0220 -0.0412 0.0039 226 LEU B C 4820 O O . LEU B 209 ? 0.2560 0.2280 0.1583 -0.0221 -0.0467 0.0051 226 LEU B O 4821 C CB . LEU B 209 ? 0.2334 0.2099 0.1553 -0.0273 -0.0437 0.0014 226 LEU B CB 4822 C CG . LEU B 209 ? 0.2412 0.2268 0.1768 -0.0284 -0.0446 0.0022 226 LEU B CG 4823 C CD1 . LEU B 209 ? 0.3047 0.2883 0.2410 -0.0339 -0.0459 -0.0010 226 LEU B CD1 4824 C CD2 . LEU B 209 ? 0.2697 0.2662 0.2138 -0.0268 -0.0489 0.0045 226 LEU B CD2 4825 N N A SER B 210 ? 0.2401 0.1968 0.1374 -0.0217 -0.0346 0.0023 227 SER B N 4826 N N B SER B 210 ? 0.2377 0.1944 0.1350 -0.0218 -0.0347 0.0022 227 SER B N 4827 C CA A SER B 210 ? 0.2169 0.1635 0.0973 -0.0218 -0.0327 0.0010 227 SER B CA 4828 C CA B SER B 210 ? 0.2460 0.1925 0.1264 -0.0218 -0.0326 0.0010 227 SER B CA 4829 C C A SER B 210 ? 0.2532 0.2030 0.1335 -0.0173 -0.0326 0.0056 227 SER B C 4830 C C B SER B 210 ? 0.2476 0.1975 0.1280 -0.0173 -0.0327 0.0056 227 SER B C 4831 O O A SER B 210 ? 0.2727 0.2205 0.1412 -0.0178 -0.0359 0.0063 227 SER B O 4832 O O B SER B 210 ? 0.2889 0.2371 0.1578 -0.0179 -0.0362 0.0063 227 SER B O 4833 C CB A SER B 210 ? 0.3041 0.2368 0.1777 -0.0214 -0.0229 -0.0011 227 SER B CB 4834 C CB B SER B 210 ? 0.3031 0.2359 0.1772 -0.0212 -0.0227 -0.0010 227 SER B CB 4835 O OG A SER B 210 ? 0.3397 0.2732 0.2232 -0.0160 -0.0161 0.0033 227 SER B OG 4836 O OG B SER B 210 ? 0.2881 0.2106 0.1470 -0.0198 -0.0180 -0.0013 227 SER B OG 4837 N N . ILE B 211 ? 0.2525 0.2071 0.1457 -0.0133 -0.0291 0.0092 228 ILE B N 4838 C CA . ILE B 211 ? 0.2431 0.2004 0.1388 -0.0093 -0.0282 0.0136 228 ILE B CA 4839 C C . ILE B 211 ? 0.2613 0.2277 0.1611 -0.0093 -0.0357 0.0153 228 ILE B C 4840 O O . ILE B 211 ? 0.2703 0.2360 0.1638 -0.0078 -0.0374 0.0180 228 ILE B O 4841 C CB . ILE B 211 ? 0.2280 0.1886 0.1370 -0.0067 -0.0235 0.0165 228 ILE B CB 4842 C CG1 . ILE B 211 ? 0.2356 0.1874 0.1423 -0.0054 -0.0152 0.0169 228 ILE B CG1 4843 C CG2 . ILE B 211 ? 0.2396 0.2043 0.1539 -0.0037 -0.0236 0.0205 228 ILE B CG2 4844 C CD1 . ILE B 211 ? 0.2544 0.2115 0.1765 -0.0040 -0.0124 0.0205 228 ILE B CD1 4845 N N A LEU B 212 ? 0.2321 0.2072 0.1432 -0.0108 -0.0396 0.0145 229 LEU B N 4846 N N B LEU B 212 ? 0.2346 0.2095 0.1456 -0.0108 -0.0395 0.0144 229 LEU B N 4847 C CA A LEU B 212 ? 0.1923 0.1762 0.1102 -0.0104 -0.0455 0.0165 229 LEU B CA 4848 C CA B LEU B 212 ? 0.2063 0.1902 0.1244 -0.0104 -0.0454 0.0164 229 LEU B CA 4849 C C A LEU B 212 ? 0.2106 0.1941 0.1182 -0.0123 -0.0517 0.0170 229 LEU B C 4850 C C B LEU B 212 ? 0.2327 0.2166 0.1410 -0.0124 -0.0518 0.0170 229 LEU B C 4851 O O A LEU B 212 ? 0.3114 0.2983 0.2195 -0.0100 -0.0548 0.0213 229 LEU B O 4852 O O B LEU B 212 ? 0.2717 0.2597 0.1816 -0.0101 -0.0551 0.0212 229 LEU B O 4853 C CB A LEU B 212 ? 0.2004 0.1922 0.1303 -0.0124 -0.0477 0.0148 229 LEU B CB 4854 C CB B LEU B 212 ? 0.2373 0.2288 0.1678 -0.0122 -0.0470 0.0148 229 LEU B CB 4855 C CG A LEU B 212 ? 0.1883 0.1826 0.1283 -0.0111 -0.0434 0.0149 229 LEU B CG 4856 C CG B LEU B 212 ? 0.2331 0.2340 0.1745 -0.0112 -0.0510 0.0170 229 LEU B CG 4857 C CD1 A LEU B 212 ? 0.2370 0.2369 0.1849 -0.0140 -0.0444 0.0128 229 LEU B CD1 4858 C CD1 B LEU B 212 ? 0.1569 0.1587 0.1048 -0.0072 -0.0476 0.0198 229 LEU B CD1 4859 C CD2 A LEU B 212 ? 0.2166 0.2139 0.1630 -0.0079 -0.0425 0.0177 229 LEU B CD2 4860 C CD2 B LEU B 212 ? 0.1901 0.1971 0.1416 -0.0138 -0.0515 0.0148 229 LEU B CD2 4861 N N . ASN B 213 ? 0.2514 0.2306 0.1497 -0.0170 -0.0537 0.0130 230 ASN B N 4862 C CA . ASN B 213 ? 0.3071 0.2858 0.1934 -0.0208 -0.0610 0.0129 230 ASN B CA 4863 C C . ASN B 213 ? 0.3206 0.2928 0.1921 -0.0187 -0.0601 0.0160 230 ASN B C 4864 O O . ASN B 213 ? 0.3303 0.3071 0.1979 -0.0192 -0.0672 0.0200 230 ASN B O 4865 C CB . ASN B 213 ? 0.3050 0.2759 0.1799 -0.0271 -0.0613 0.0067 230 ASN B CB 4866 C CG . ASN B 213 ? 0.5329 0.5039 0.3945 -0.0329 -0.0705 0.0061 230 ASN B CG 4867 O OD1 . ASN B 213 ? 0.6551 0.6384 0.5261 -0.0343 -0.0794 0.0096 230 ASN B OD1 4868 N ND2 . ASN B 213 ? 0.6224 0.5796 0.4620 -0.0367 -0.0681 0.0018 230 ASN B ND2 4869 N N . TRP B 214 ? 0.2924 0.2540 0.1563 -0.0165 -0.0512 0.0148 231 TRP B N 4870 C CA . TRP B 214 ? 0.3236 0.2772 0.1723 -0.0145 -0.0483 0.0175 231 TRP B CA 4871 C C . TRP B 214 ? 0.2981 0.2591 0.1569 -0.0094 -0.0497 0.0245 231 TRP B C 4872 O O . TRP B 214 ? 0.3204 0.2815 0.1700 -0.0089 -0.0537 0.0290 231 TRP B O 4873 C CB . TRP B 214 ? 0.3229 0.2641 0.1650 -0.0128 -0.0369 0.0151 231 TRP B CB 4874 C CG . TRP B 214 ? 0.3615 0.2924 0.1853 -0.0115 -0.0323 0.0171 231 TRP B CG 4875 C CD1 . TRP B 214 ? 0.4336 0.3524 0.2332 -0.0156 -0.0313 0.0137 231 TRP B CD1 4876 C CD2 . TRP B 214 ? 0.3545 0.2849 0.1816 -0.0063 -0.0272 0.0229 231 TRP B CD2 4877 N NE1 . TRP B 214 ? 0.4030 0.3140 0.1900 -0.0129 -0.0256 0.0173 231 TRP B NE1 4878 C CE2 . TRP B 214 ? 0.3399 0.2582 0.1445 -0.0069 -0.0229 0.0233 231 TRP B CE2 4879 C CE3 . TRP B 214 ? 0.3096 0.2478 0.1556 -0.0017 -0.0256 0.0274 231 TRP B CE3 4880 C CZ2 . TRP B 214 ? 0.3929 0.3077 0.1952 -0.0026 -0.0169 0.0289 231 TRP B CZ2 4881 C CZ3 . TRP B 214 ? 0.3527 0.2874 0.1972 0.0020 -0.0200 0.0325 231 TRP B CZ3 4882 C CH2 . TRP B 214 ? 0.3403 0.2637 0.1637 0.0018 -0.0156 0.0337 231 TRP B CH2 4883 N N . PHE B 215 ? 0.2792 0.2461 0.1563 -0.0060 -0.0465 0.0257 232 PHE B N 4884 C CA . PHE B 215 ? 0.2539 0.2263 0.1414 -0.0017 -0.0469 0.0314 232 PHE B CA 4885 C C . PHE B 215 ? 0.3262 0.3082 0.2193 -0.0019 -0.0558 0.0353 232 PHE B C 4886 O O . PHE B 215 ? 0.3218 0.3053 0.2153 0.0012 -0.0573 0.0415 232 PHE B O 4887 C CB . PHE B 215 ? 0.2409 0.2167 0.1453 0.0004 -0.0420 0.0307 232 PHE B CB 4888 C CG . PHE B 215 ? 0.2923 0.2612 0.1954 0.0023 -0.0338 0.0313 232 PHE B CG 4889 C CD1 . PHE B 215 ? 0.4235 0.3918 0.3323 0.0056 -0.0305 0.0355 232 PHE B CD1 4890 C CD2 . PHE B 215 ? 0.2596 0.2224 0.1574 0.0009 -0.0290 0.0281 232 PHE B CD2 4891 C CE1 . PHE B 215 ? 0.4415 0.4046 0.3513 0.0068 -0.0232 0.0366 232 PHE B CE1 4892 C CE2 . PHE B 215 ? 0.3181 0.2759 0.2179 0.0029 -0.0213 0.0298 232 PHE B CE2 4893 C CZ . PHE B 215 ? 0.3558 0.3144 0.2616 0.0056 -0.0188 0.0341 232 PHE B CZ 4894 N N . VAL B 216 ? 0.3038 0.2926 0.2026 -0.0053 -0.0615 0.0326 233 VAL B N 4895 C CA . VAL B 216 ? 0.3273 0.3270 0.2348 -0.0055 -0.0701 0.0373 233 VAL B CA 4896 C C . VAL B 216 ? 0.3559 0.3543 0.2465 -0.0084 -0.0777 0.0405 233 VAL B C 4897 O O . VAL B 216 ? 0.3547 0.3596 0.2493 -0.0060 -0.0831 0.0482 233 VAL B O 4898 C CB . VAL B 216 ? 0.3616 0.3699 0.2823 -0.0086 -0.0735 0.0340 233 VAL B CB 4899 C CG1 . VAL B 216 ? 0.3647 0.3856 0.2975 -0.0086 -0.0820 0.0399 233 VAL B CG1 4900 C CG2 . VAL B 216 ? 0.4338 0.4432 0.3691 -0.0059 -0.0660 0.0316 233 VAL B CG2 4901 N N . GLU B 217 ? 0.2978 0.2874 0.1690 -0.0136 -0.0780 0.0351 234 GLU B N 4902 C CA . GLU B 217 ? 0.3168 0.3028 0.1669 -0.0178 -0.0849 0.0370 234 GLU B CA 4903 C C . GLU B 217 ? 0.3169 0.2991 0.1584 -0.0132 -0.0830 0.0442 234 GLU B C 4904 O O . GLU B 217 ? 0.3486 0.3342 0.1805 -0.0149 -0.0916 0.0504 234 GLU B O 4905 C CB . GLU B 217 ? 0.3719 0.3441 0.2002 -0.0236 -0.0813 0.0286 234 GLU B CB 4906 C CG . GLU B 217 ? 0.5680 0.5429 0.3988 -0.0304 -0.0862 0.0223 234 GLU B CG 4907 C CD . GLU B 217 ? 0.8149 0.7735 0.6233 -0.0360 -0.0811 0.0138 234 GLU B CD 4908 O OE1 . GLU B 217 ? 0.7891 0.7347 0.5847 -0.0332 -0.0712 0.0124 234 GLU B OE1 4909 O OE2 . GLU B 217 ? 0.8848 0.8432 0.6894 -0.0434 -0.0864 0.0086 234 GLU B OE2 4910 N N . HIS B 218 ? 0.3170 0.2925 0.1619 -0.0080 -0.0723 0.0442 235 HIS B N 4911 C CA . HIS B 218 ? 0.3270 0.2966 0.1635 -0.0038 -0.0681 0.0503 235 HIS B CA 4912 C C . HIS B 218 ? 0.2921 0.2680 0.1497 0.0027 -0.0653 0.0567 235 HIS B C 4913 O O . HIS B 218 ? 0.3141 0.2843 0.1685 0.0066 -0.0594 0.0611 235 HIS B O 4914 C CB . HIS B 218 ? 0.3208 0.2754 0.1418 -0.0039 -0.0571 0.0455 235 HIS B CB 4915 C CG . HIS B 218 ? 0.3924 0.3379 0.1912 -0.0105 -0.0580 0.0387 235 HIS B CG 4916 N ND1 . HIS B 218 ? 0.4214 0.3630 0.1968 -0.0151 -0.0648 0.0403 235 HIS B ND1 4917 C CD2 . HIS B 218 ? 0.3480 0.2869 0.1439 -0.0137 -0.0532 0.0303 235 HIS B CD2 4918 C CE1 . HIS B 218 ? 0.4374 0.3693 0.1955 -0.0214 -0.0637 0.0321 235 HIS B CE1 4919 N NE2 . HIS B 218 ? 0.3975 0.3273 0.1685 -0.0202 -0.0561 0.0261 235 HIS B NE2 4920 N N . GLN B 219 ? 0.3135 0.3008 0.1925 0.0038 -0.0691 0.0573 236 GLN B N 4921 C CA . GLN B 219 ? 0.2550 0.2462 0.1542 0.0095 -0.0647 0.0615 236 GLN B CA 4922 C C . GLN B 219 ? 0.2913 0.2839 0.1913 0.0139 -0.0667 0.0720 236 GLN B C 4923 O O . GLN B 219 ? 0.3069 0.2967 0.2173 0.0186 -0.0599 0.0751 236 GLN B O 4924 C CB . GLN B 219 ? 0.2989 0.3004 0.2195 0.0097 -0.0667 0.0595 236 GLN B CB 4925 C CG . GLN B 219 ? 0.2559 0.2692 0.1840 0.0086 -0.0769 0.0645 236 GLN B CG 4926 C CD . GLN B 219 ? 0.2699 0.2923 0.2200 0.0091 -0.0765 0.0623 236 GLN B CD 4927 O OE1 . GLN B 219 ? 0.2919 0.3108 0.2477 0.0092 -0.0691 0.0559 236 GLN B OE1 4928 N NE2 . GLN B 219 ? 0.2753 0.3097 0.2381 0.0093 -0.0841 0.0681 236 GLN B NE2 4929 N N . ASP B 220 ? 0.3314 0.3277 0.2203 0.0121 -0.0760 0.0779 237 ASP B N 4930 C CA . ASP B 220 ? 0.3589 0.3564 0.2480 0.0165 -0.0781 0.0895 237 ASP B CA 4931 C C . ASP B 220 ? 0.3715 0.3558 0.2466 0.0188 -0.0689 0.0908 237 ASP B C 4932 O O . ASP B 220 ? 0.3559 0.3390 0.2389 0.0241 -0.0651 0.0987 237 ASP B O 4933 C CB . ASP B 220 ? 0.3621 0.3667 0.2396 0.0131 -0.0912 0.0963 237 ASP B CB 4934 C CG . ASP B 220 ? 0.4669 0.4875 0.3651 0.0123 -0.1006 0.0991 237 ASP B CG 4935 O OD1 . ASP B 220 ? 0.4236 0.4493 0.3459 0.0157 -0.0958 0.0971 237 ASP B OD1 4936 O OD2 . ASP B 220 ? 0.4921 0.5204 0.3822 0.0078 -0.1129 0.1036 237 ASP B OD2 4937 N N . ILE B 221 ? 0.3533 0.3276 0.2093 0.0150 -0.0644 0.0833 238 ILE B N 4938 C CA . ILE B 221 ? 0.3453 0.3072 0.1898 0.0169 -0.0540 0.0837 238 ILE B CA 4939 C C . ILE B 221 ? 0.3763 0.3359 0.2391 0.0197 -0.0438 0.0794 238 ILE B C 4940 O O . ILE B 221 ? 0.3931 0.3478 0.2605 0.0234 -0.0366 0.0839 238 ILE B O 4941 C CB . ILE B 221 ? 0.3909 0.3420 0.2080 0.0118 -0.0518 0.0776 238 ILE B CB 4942 C CG1 . ILE B 221 ? 0.5556 0.5064 0.3496 0.0082 -0.0613 0.0827 238 ILE B CG1 4943 C CG2 . ILE B 221 ? 0.4791 0.4180 0.2896 0.0142 -0.0387 0.0770 238 ILE B CG2 4944 C CD1 . ILE B 221 ? 0.7887 0.7295 0.5558 0.0014 -0.0611 0.0746 238 ILE B CD1 4945 N N . LEU B 222 ? 0.3487 0.3119 0.2217 0.0174 -0.0435 0.0711 239 LEU B N 4946 C CA . LEU B 222 ? 0.3084 0.2689 0.1938 0.0183 -0.0349 0.0663 239 LEU B CA 4947 C C . LEU B 222 ? 0.2412 0.2068 0.1490 0.0213 -0.0333 0.0681 239 LEU B C 4948 O O . LEU B 222 ? 0.2989 0.2603 0.2147 0.0226 -0.0259 0.0680 239 LEU B O 4949 C CB . LEU B 222 ? 0.2864 0.2474 0.1709 0.0142 -0.0348 0.0573 239 LEU B CB 4950 C CG . LEU B 222 ? 0.3309 0.2839 0.1941 0.0110 -0.0336 0.0538 239 LEU B CG 4951 C CD1 . LEU B 222 ? 0.3915 0.3464 0.2568 0.0072 -0.0349 0.0459 239 LEU B CD1 4952 C CD2 . LEU B 222 ? 0.4171 0.3599 0.2734 0.0129 -0.0231 0.0552 239 LEU B CD2 4953 N N . GLN B 223 ? 0.2823 0.2565 0.2005 0.0219 -0.0396 0.0695 240 GLN B N 4954 C CA . GLN B 223 ? 0.2684 0.2458 0.2070 0.0246 -0.0367 0.0703 240 GLN B CA 4955 C C . GLN B 223 ? 0.3012 0.2728 0.2453 0.0288 -0.0307 0.0770 240 GLN B C 4956 O O . GLN B 223 ? 0.2776 0.2458 0.2330 0.0290 -0.0241 0.0741 240 GLN B O 4957 C CB . GLN B 223 ? 0.3251 0.3128 0.2750 0.0255 -0.0435 0.0725 240 GLN B CB 4958 C CG . GLN B 223 ? 0.3022 0.2917 0.2730 0.0282 -0.0387 0.0720 240 GLN B CG 4959 C CD . GLN B 223 ? 0.3199 0.3061 0.2997 0.0337 -0.0349 0.0807 240 GLN B CD 4960 O OE1 . GLN B 223 ? 0.3367 0.3244 0.3112 0.0363 -0.0392 0.0897 240 GLN B OE1 4961 N NE2 . GLN B 223 ? 0.2852 0.2664 0.2780 0.0350 -0.0267 0.0782 240 GLN B NE2 4962 N N . PRO B 224 ? 0.2992 0.2692 0.2346 0.0315 -0.0330 0.0859 241 PRO B N 4963 C CA . PRO B 224 ? 0.3231 0.2874 0.2660 0.0358 -0.0268 0.0929 241 PRO B CA 4964 C C . PRO B 224 ? 0.3137 0.2684 0.2532 0.0349 -0.0176 0.0907 241 PRO B C 4965 O O . PRO B 224 ? 0.3505 0.3000 0.3002 0.0373 -0.0112 0.0944 241 PRO B O 4966 C CB . PRO B 224 ? 0.3461 0.3115 0.2779 0.0385 -0.0324 0.1039 241 PRO B CB 4967 C CG . PRO B 224 ? 0.3926 0.3668 0.3165 0.0355 -0.0430 0.1026 241 PRO B CG 4968 C CD . PRO B 224 ? 0.3333 0.3070 0.2535 0.0306 -0.0419 0.0906 241 PRO B CD 4969 N N . VAL B 225 ? 0.2957 0.2478 0.2222 0.0313 -0.0166 0.0852 242 VAL B N 4970 C CA . VAL B 225 ? 0.2905 0.2347 0.2142 0.0307 -0.0080 0.0848 242 VAL B CA 4971 C C . VAL B 225 ? 0.3375 0.2818 0.2767 0.0282 -0.0033 0.0783 242 VAL B C 4972 O O . VAL B 225 ? 0.3597 0.2989 0.3033 0.0277 0.0035 0.0793 242 VAL B O 4973 C CB . VAL B 225 ? 0.3534 0.2934 0.2575 0.0287 -0.0068 0.0830 242 VAL B CB 4974 C CG1 . VAL B 225 ? 0.4669 0.4054 0.3520 0.0299 -0.0118 0.0893 242 VAL B CG1 4975 C CG2 . VAL B 225 ? 0.4340 0.3777 0.3369 0.0248 -0.0094 0.0740 242 VAL B CG2 4976 N N . ALA B 226 ? 0.2916 0.2420 0.2390 0.0261 -0.0072 0.0721 243 ALA B N 4977 C CA . ALA B 226 ? 0.2596 0.2101 0.2190 0.0227 -0.0039 0.0658 243 ALA B CA 4978 C C . ALA B 226 ? 0.2671 0.2142 0.2401 0.0237 0.0000 0.0671 243 ALA B C 4979 O O . ALA B 226 ? 0.2904 0.2380 0.2679 0.0274 -0.0012 0.0711 243 ALA B O 4980 C CB . ALA B 226 ? 0.2648 0.2220 0.2255 0.0197 -0.0089 0.0586 243 ALA B CB 4981 N N . GLY B 227 ? 0.2523 0.1958 0.2327 0.0201 0.0048 0.0638 244 GLY B N 4982 C CA . GLY B 227 ? 0.2565 0.1950 0.2490 0.0192 0.0092 0.0626 244 GLY B CA 4983 C C . GLY B 227 ? 0.2435 0.1788 0.2413 0.0135 0.0131 0.0589 244 GLY B C 4984 O O . GLY B 227 ? 0.2641 0.2024 0.2582 0.0112 0.0123 0.0586 244 GLY B O 4985 N N . PRO B 228 ? 0.2675 0.1964 0.2749 0.0109 0.0176 0.0565 245 PRO B N 4986 C CA . PRO B 228 ? 0.2956 0.2219 0.3089 0.0040 0.0203 0.0529 245 PRO B CA 4987 C C . PRO B 228 ? 0.2786 0.2051 0.2918 0.0042 0.0226 0.0588 245 PRO B C 4988 O O . PRO B 228 ? 0.2995 0.2214 0.3120 0.0092 0.0267 0.0662 245 PRO B O 4989 C CB . PRO B 228 ? 0.2868 0.2028 0.3087 0.0030 0.0264 0.0517 245 PRO B CB 4990 C CG . PRO B 228 ? 0.3170 0.2331 0.3383 0.0076 0.0256 0.0505 245 PRO B CG 4991 C CD . PRO B 228 ? 0.3463 0.2697 0.3603 0.0142 0.0209 0.0573 245 PRO B CD 4992 N N . GLY B 229 ? 0.2586 0.1912 0.2725 -0.0005 0.0200 0.0562 246 GLY B N 4993 C CA . GLY B 229 ? 0.2835 0.2179 0.3001 -0.0008 0.0229 0.0613 246 GLY B CA 4994 C C . GLY B 229 ? 0.2905 0.2280 0.2966 0.0044 0.0225 0.0653 246 GLY B C 4995 O O . GLY B 229 ? 0.2620 0.1999 0.2698 0.0050 0.0266 0.0697 246 GLY B O 4996 N N . HIS B 230 ? 0.2569 0.1960 0.2524 0.0082 0.0183 0.0640 247 HIS B N 4997 C CA . HIS B 230 ? 0.2518 0.1921 0.2347 0.0122 0.0178 0.0667 247 HIS B CA 4998 C C . HIS B 230 ? 0.2538 0.1986 0.2278 0.0133 0.0110 0.0626 247 HIS B C 4999 O O . HIS B 230 ? 0.2726 0.2165 0.2417 0.0164 0.0083 0.0639 247 HIS B O 5000 C CB . HIS B 230 ? 0.2731 0.2065 0.2488 0.0173 0.0226 0.0744 247 HIS B CB 5001 C CG . HIS B 230 ? 0.3056 0.2356 0.2818 0.0204 0.0216 0.0772 247 HIS B CG 5002 N ND1 . HIS B 230 ? 0.4359 0.3600 0.4223 0.0205 0.0266 0.0805 247 HIS B ND1 5003 C CD2 . HIS B 230 ? 0.2905 0.2224 0.2600 0.0236 0.0163 0.0779 247 HIS B CD2 5004 C CE1 . HIS B 230 ? 0.3723 0.2943 0.3586 0.0243 0.0251 0.0834 247 HIS B CE1 5005 N NE2 . HIS B 230 ? 0.4005 0.3280 0.3771 0.0263 0.0185 0.0823 247 HIS B NE2 5006 N N . TRP B 231 ? 0.2553 0.2055 0.2291 0.0104 0.0082 0.0583 248 TRP B N 5007 C CA . TRP B 231 ? 0.2459 0.2007 0.2142 0.0100 0.0020 0.0535 248 TRP B CA 5008 C C . TRP B 231 ? 0.2328 0.1879 0.1894 0.0116 0.0012 0.0535 248 TRP B C 5009 O O . TRP B 231 ? 0.2378 0.1912 0.1934 0.0117 0.0056 0.0553 248 TRP B O 5010 C CB . TRP B 231 ? 0.2178 0.1780 0.1946 0.0047 -0.0007 0.0481 248 TRP B CB 5011 C CG . TRP B 231 ? 0.2144 0.1728 0.2009 0.0013 0.0006 0.0466 248 TRP B CG 5012 C CD1 . TRP B 231 ? 0.2263 0.1847 0.2219 -0.0029 0.0029 0.0473 248 TRP B CD1 5013 C CD2 . TRP B 231 ? 0.2072 0.1626 0.1958 0.0016 0.0004 0.0443 248 TRP B CD2 5014 N NE1 . TRP B 231 ? 0.2439 0.1982 0.2452 -0.0060 0.0040 0.0447 248 TRP B NE1 5015 C CE2 . TRP B 231 ? 0.2280 0.1798 0.2251 -0.0030 0.0033 0.0426 248 TRP B CE2 5016 C CE3 . TRP B 231 ? 0.2422 0.1975 0.2276 0.0052 -0.0014 0.0438 248 TRP B CE3 5017 C CZ2 . TRP B 231 ? 0.2543 0.2005 0.2553 -0.0039 0.0056 0.0397 248 TRP B CZ2 5018 C CZ3 . TRP B 231 ? 0.2394 0.1906 0.2311 0.0051 0.0009 0.0420 248 TRP B CZ3 5019 C CH2 . TRP B 231 ? 0.2618 0.2075 0.2604 0.0006 0.0050 0.0395 248 TRP B CH2 5020 N N . ASN B 232 ? 0.2432 0.2005 0.1923 0.0123 -0.0041 0.0510 249 ASN B N 5021 C CA . ASN B 232 ? 0.2333 0.1909 0.1722 0.0120 -0.0058 0.0487 249 ASN B CA 5022 C C . ASN B 232 ? 0.2475 0.2100 0.1944 0.0085 -0.0068 0.0446 249 ASN B C 5023 O O . ASN B 232 ? 0.2365 0.2035 0.1924 0.0060 -0.0094 0.0421 249 ASN B O 5024 C CB . ASN B 232 ? 0.2467 0.2063 0.1772 0.0126 -0.0122 0.0475 249 ASN B CB 5025 C CG . ASN B 232 ? 0.2988 0.2545 0.2194 0.0156 -0.0128 0.0528 249 ASN B CG 5026 O OD1 . ASN B 232 ? 0.2993 0.2486 0.2082 0.0167 -0.0089 0.0554 249 ASN B OD1 5027 N ND2 . ASN B 232 ? 0.2526 0.2120 0.1778 0.0171 -0.0173 0.0550 249 ASN B ND2 5028 N N . ASP B 233 ? 0.2009 0.1620 0.1438 0.0084 -0.0044 0.0441 250 ASP B N 5029 C CA . ASP B 233 ? 0.2037 0.1697 0.1546 0.0057 -0.0053 0.0419 250 ASP B CA 5030 C C . ASP B 233 ? 0.2461 0.2107 0.1880 0.0055 -0.0068 0.0388 250 ASP B C 5031 O O . ASP B 233 ? 0.2330 0.1915 0.1677 0.0070 -0.0019 0.0395 250 ASP B O 5032 C CB . ASP B 233 ? 0.2412 0.2069 0.2011 0.0058 0.0006 0.0460 250 ASP B CB 5033 C CG . ASP B 233 ? 0.2428 0.2149 0.2131 0.0032 -0.0007 0.0459 250 ASP B CG 5034 O OD1 . ASP B 233 ? 0.2447 0.2207 0.2138 0.0010 -0.0061 0.0422 250 ASP B OD1 5035 O OD2 . ASP B 233 ? 0.2394 0.2132 0.2201 0.0033 0.0035 0.0503 250 ASP B OD2 5036 N N . PRO B 234 ? 0.2119 0.1812 0.1542 0.0033 -0.0126 0.0350 251 PRO B N 5037 C CA . PRO B 234 ? 0.2146 0.1827 0.1502 0.0023 -0.0142 0.0318 251 PRO B CA 5038 C C . PRO B 234 ? 0.2150 0.1851 0.1579 0.0010 -0.0122 0.0319 251 PRO B C 5039 O O . PRO B 234 ? 0.2204 0.1893 0.1596 0.0000 -0.0131 0.0294 251 PRO B O 5040 C CB . PRO B 234 ? 0.1922 0.1656 0.1283 0.0007 -0.0207 0.0288 251 PRO B CB 5041 C CG . PRO B 234 ? 0.2508 0.2286 0.1967 0.0002 -0.0216 0.0296 251 PRO B CG 5042 C CD . PRO B 234 ? 0.2628 0.2376 0.2119 0.0017 -0.0170 0.0334 251 PRO B CD 5043 N N . ASP B 235 ? 0.2080 0.1811 0.1618 0.0010 -0.0096 0.0356 252 ASP B N 5044 C CA . ASP B 235 ? 0.2171 0.1933 0.1807 0.0004 -0.0074 0.0385 252 ASP B CA 5045 C C . ASP B 235 ? 0.1964 0.1813 0.1679 -0.0034 -0.0134 0.0381 252 ASP B C 5046 O O . ASP B 235 ? 0.1921 0.1797 0.1615 -0.0056 -0.0179 0.0349 252 ASP B O 5047 C CB . ASP B 235 ? 0.2128 0.1821 0.1706 0.0023 -0.0025 0.0378 252 ASP B CB 5048 C CG . ASP B 235 ? 0.2505 0.2202 0.2202 0.0041 0.0037 0.0433 252 ASP B CG 5049 O OD1 . ASP B 235 ? 0.2197 0.1966 0.2028 0.0035 0.0032 0.0483 252 ASP B OD1 5050 O OD2 . ASP B 235 ? 0.2466 0.2091 0.2127 0.0061 0.0096 0.0429 252 ASP B OD2 5051 N N . MET B 236 ? 0.1929 0.1820 0.1736 -0.0042 -0.0128 0.0419 253 MET B N 5052 C CA . MET B 236 ? 0.1894 0.1871 0.1774 -0.0085 -0.0183 0.0434 253 MET B CA 5053 C C . MET B 236 ? 0.1818 0.1807 0.1629 -0.0110 -0.0227 0.0388 253 MET B C 5054 O O . MET B 236 ? 0.2007 0.1951 0.1749 -0.0094 -0.0216 0.0358 253 MET B O 5055 C CB . MET B 236 ? 0.1705 0.1728 0.1707 -0.0081 -0.0168 0.0504 253 MET B CB 5056 C CG . MET B 236 ? 0.1942 0.1987 0.2059 -0.0068 -0.0132 0.0563 253 MET B CG 5057 S SD . MET B 236 ? 0.2207 0.2287 0.2489 -0.0036 -0.0081 0.0655 253 MET B SD 5058 C CE . MET B 236 ? 0.1818 0.1753 0.1989 0.0023 0.0019 0.0617 253 MET B CE 5059 N N . LEU B 237 ? 0.1998 0.2044 0.1825 -0.0155 -0.0275 0.0383 254 LEU B N 5060 C CA . LEU B 237 ? 0.1823 0.1888 0.1600 -0.0184 -0.0307 0.0352 254 LEU B CA 5061 C C . LEU B 237 ? 0.1795 0.1892 0.1616 -0.0188 -0.0312 0.0398 254 LEU B C 5062 O O . LEU B 237 ? 0.2039 0.2181 0.1949 -0.0191 -0.0316 0.0462 254 LEU B O 5063 C CB . LEU B 237 ? 0.2095 0.2195 0.1857 -0.0237 -0.0344 0.0332 254 LEU B CB 5064 C CG . LEU B 237 ? 0.2031 0.2091 0.1762 -0.0235 -0.0331 0.0287 254 LEU B CG 5065 C CD1 . LEU B 237 ? 0.1939 0.2017 0.1656 -0.0298 -0.0357 0.0267 254 LEU B CD1 5066 C CD2 . LEU B 237 ? 0.2033 0.2057 0.1710 -0.0208 -0.0316 0.0241 254 LEU B CD2 5067 N N . LEU B 238 ? 0.1705 0.1786 0.1478 -0.0189 -0.0312 0.0373 255 LEU B N 5068 C CA . LEU B 238 ? 0.1733 0.1828 0.1543 -0.0188 -0.0308 0.0417 255 LEU B CA 5069 C C . LEU B 238 ? 0.1737 0.1891 0.1528 -0.0238 -0.0353 0.0429 255 LEU B C 5070 O O . LEU B 238 ? 0.1931 0.2106 0.1753 -0.0243 -0.0357 0.0477 255 LEU B O 5071 C CB . LEU B 238 ? 0.1803 0.1830 0.1568 -0.0166 -0.0275 0.0380 255 LEU B CB 5072 C CG . LEU B 238 ? 0.1823 0.1772 0.1569 -0.0125 -0.0226 0.0364 255 LEU B CG 5073 C CD1 . LEU B 238 ? 0.1828 0.1711 0.1505 -0.0125 -0.0210 0.0314 255 LEU B CD1 5074 C CD2 . LEU B 238 ? 0.1883 0.1819 0.1717 -0.0095 -0.0180 0.0428 255 LEU B CD2 5075 N N . ILE B 239 ? 0.1957 0.2126 0.1689 -0.0274 -0.0380 0.0388 256 ILE B N 5076 C CA . ILE B 239 ? 0.1781 0.1983 0.1453 -0.0327 -0.0411 0.0382 256 ILE B CA 5077 C C . ILE B 239 ? 0.1961 0.2233 0.1676 -0.0361 -0.0455 0.0462 256 ILE B C 5078 O O . ILE B 239 ? 0.1953 0.2261 0.1728 -0.0371 -0.0478 0.0498 256 ILE B O 5079 C CB . ILE B 239 ? 0.1865 0.2049 0.1463 -0.0359 -0.0413 0.0315 256 ILE B CB 5080 C CG1 . ILE B 239 ? 0.2116 0.2248 0.1699 -0.0320 -0.0375 0.0255 256 ILE B CG1 5081 C CG2 . ILE B 239 ? 0.2204 0.2404 0.1713 -0.0420 -0.0432 0.0304 256 ILE B CG2 5082 C CD1 . ILE B 239 ? 0.2173 0.2277 0.1746 -0.0317 -0.0362 0.0213 256 ILE B CD1 5083 N N . GLY B 240 ? 0.1711 0.2005 0.1406 -0.0378 -0.0467 0.0499 257 GLY B N 5084 C CA . GLY B 240 ? 0.1748 0.2119 0.1488 -0.0409 -0.0517 0.0593 257 GLY B CA 5085 C C . GLY B 240 ? 0.1795 0.2177 0.1654 -0.0359 -0.0494 0.0676 257 GLY B C 5086 O O . GLY B 240 ? 0.2209 0.2658 0.2120 -0.0377 -0.0532 0.0771 257 GLY B O 5087 N N . ASN B 241 ? 0.1835 0.2144 0.1731 -0.0301 -0.0429 0.0644 258 ASN B N 5088 C CA . ASN B 241 ? 0.1771 0.2062 0.1780 -0.0251 -0.0387 0.0712 258 ASN B CA 5089 C C . ASN B 241 ? 0.2325 0.2561 0.2299 -0.0244 -0.0353 0.0699 258 ASN B C 5090 O O . ASN B 241 ? 0.2499 0.2762 0.2399 -0.0286 -0.0384 0.0697 258 ASN B O 5091 C CB . ASN B 241 ? 0.2059 0.2298 0.2132 -0.0198 -0.0332 0.0694 258 ASN B CB 5092 C CG . ASN B 241 ? 0.1753 0.2055 0.1886 -0.0209 -0.0364 0.0724 258 ASN B CG 5093 O OD1 . ASN B 241 ? 0.2137 0.2537 0.2336 -0.0243 -0.0422 0.0802 258 ASN B OD1 5094 N ND2 . ASN B 241 ? 0.1915 0.2169 0.2027 -0.0188 -0.0332 0.0668 258 ASN B ND2 5095 N N . PHE B 242 ? 0.1895 0.2049 0.1916 -0.0197 -0.0286 0.0691 259 PHE B N 5096 C CA . PHE B 242 ? 0.1905 0.2010 0.1930 -0.0193 -0.0251 0.0705 259 PHE B CA 5097 C C . PHE B 242 ? 0.1924 0.1943 0.1867 -0.0197 -0.0217 0.0606 259 PHE B C 5098 O O . PHE B 242 ? 0.2018 0.2012 0.1942 -0.0215 -0.0204 0.0602 259 PHE B O 5099 C CB . PHE B 242 ? 0.2037 0.2108 0.2198 -0.0143 -0.0194 0.0788 259 PHE B CB 5100 C CG . PHE B 242 ? 0.1810 0.1986 0.2096 -0.0135 -0.0231 0.0908 259 PHE B CG 5101 C CD1 . PHE B 242 ? 0.2075 0.2329 0.2401 -0.0157 -0.0277 0.1007 259 PHE B CD1 5102 C CD2 . PHE B 242 ? 0.2225 0.2428 0.2592 -0.0109 -0.0224 0.0928 259 PHE B CD2 5103 C CE1 . PHE B 242 ? 0.2333 0.2704 0.2785 -0.0157 -0.0328 0.1130 259 PHE B CE1 5104 C CE2 . PHE B 242 ? 0.2336 0.2652 0.2841 -0.0107 -0.0266 0.1045 259 PHE B CE2 5105 C CZ . PHE B 242 ? 0.2263 0.2668 0.2813 -0.0133 -0.0324 0.1148 259 PHE B CZ 5106 N N . GLY B 243 ? 0.1701 0.1676 0.1603 -0.0183 -0.0203 0.0535 260 GLY B N 5107 C CA . GLY B 243 ? 0.1819 0.1707 0.1656 -0.0184 -0.0173 0.0450 260 GLY B CA 5108 C C . GLY B 243 ? 0.1984 0.1901 0.1744 -0.0220 -0.0211 0.0381 260 GLY B C 5109 O O . GLY B 243 ? 0.2070 0.1939 0.1801 -0.0234 -0.0198 0.0328 260 GLY B O 5110 N N . LEU B 244 ? 0.1947 0.1936 0.1683 -0.0234 -0.0253 0.0377 261 LEU B N 5111 C CA . LEU B 244 ? 0.1960 0.1973 0.1642 -0.0259 -0.0275 0.0316 261 LEU B CA 5112 C C . LEU B 244 ? 0.1708 0.1764 0.1375 -0.0295 -0.0283 0.0333 261 LEU B C 5113 O O . LEU B 244 ? 0.1837 0.1935 0.1500 -0.0310 -0.0301 0.0387 261 LEU B O 5114 C CB . LEU B 244 ? 0.1976 0.2016 0.1631 -0.0254 -0.0298 0.0290 261 LEU B CB 5115 C CG . LEU B 244 ? 0.1746 0.1748 0.1402 -0.0220 -0.0289 0.0278 261 LEU B CG 5116 C CD1 . LEU B 244 ? 0.1675 0.1699 0.1307 -0.0218 -0.0308 0.0248 261 LEU B CD1 5117 C CD2 . LEU B 244 ? 0.1777 0.1712 0.1409 -0.0210 -0.0268 0.0240 261 LEU B CD2 5118 N N . SER B 245 ? 0.1870 0.1921 0.1527 -0.0312 -0.0272 0.0290 262 SER B N 5119 C CA . SER B 245 ? 0.1718 0.1805 0.1351 -0.0346 -0.0266 0.0293 262 SER B CA 5120 C C . SER B 245 ? 0.1754 0.1875 0.1336 -0.0358 -0.0279 0.0265 262 SER B C 5121 O O . SER B 245 ? 0.1703 0.1821 0.1285 -0.0338 -0.0294 0.0243 262 SER B O 5122 C CB . SER B 245 ? 0.1988 0.2064 0.1651 -0.0359 -0.0244 0.0255 262 SER B CB 5123 O OG . SER B 245 ? 0.1738 0.1829 0.1411 -0.0349 -0.0255 0.0200 262 SER B OG 5124 N N . LEU B 246 ? 0.1955 0.2094 0.1486 -0.0392 -0.0264 0.0265 263 LEU B N 5125 C CA . LEU B 246 ? 0.2156 0.2304 0.1626 -0.0410 -0.0259 0.0226 263 LEU B CA 5126 C C . LEU B 246 ? 0.1733 0.1875 0.1251 -0.0383 -0.0244 0.0168 263 LEU B C 5127 O O . LEU B 246 ? 0.1752 0.1887 0.1255 -0.0373 -0.0253 0.0146 263 LEU B O 5128 C CB . LEU B 246 ? 0.2064 0.2214 0.1458 -0.0453 -0.0226 0.0228 263 LEU B CB 5129 C CG . LEU B 246 ? 0.2511 0.2643 0.1824 -0.0478 -0.0197 0.0177 263 LEU B CG 5130 C CD1 . LEU B 246 ? 0.2315 0.2444 0.1559 -0.0499 -0.0242 0.0183 263 LEU B CD1 5131 C CD2 . LEU B 246 ? 0.2641 0.2761 0.1869 -0.0520 -0.0148 0.0178 263 LEU B CD2 5132 N N . GLU B 247 ? 0.1707 0.1858 0.1294 -0.0372 -0.0226 0.0151 264 GLU B N 5133 C CA . GLU B 247 ? 0.1592 0.1756 0.1243 -0.0347 -0.0221 0.0112 264 GLU B CA 5134 C C . GLU B 247 ? 0.1719 0.1869 0.1378 -0.0315 -0.0260 0.0111 264 GLU B C 5135 O O . GLU B 247 ? 0.1614 0.1765 0.1287 -0.0294 -0.0262 0.0093 264 GLU B O 5136 C CB . GLU B 247 ? 0.1865 0.2054 0.1601 -0.0350 -0.0210 0.0105 264 GLU B CB 5137 C CG . GLU B 247 ? 0.1933 0.2141 0.1689 -0.0374 -0.0156 0.0102 264 GLU B CG 5138 C CD . GLU B 247 ? 0.2284 0.2499 0.2050 -0.0365 -0.0109 0.0073 264 GLU B CD 5139 O OE1 . GLU B 247 ? 0.2863 0.3063 0.2579 -0.0390 -0.0051 0.0068 264 GLU B OE1 5140 O OE2 . GLU B 247 ? 0.2355 0.2582 0.2173 -0.0334 -0.0124 0.0058 264 GLU B OE2 5141 N N . GLN B 248 ? 0.1692 0.1820 0.1344 -0.0310 -0.0282 0.0135 265 GLN B N 5142 C CA . GLN B 248 ? 0.1542 0.1644 0.1188 -0.0281 -0.0306 0.0137 265 GLN B CA 5143 C C . GLN B 248 ? 0.1619 0.1716 0.1233 -0.0272 -0.0311 0.0150 265 GLN B C 5144 O O . GLN B 248 ? 0.1781 0.1864 0.1394 -0.0247 -0.0320 0.0141 265 GLN B O 5145 C CB . GLN B 248 ? 0.1559 0.1620 0.1202 -0.0280 -0.0306 0.0156 265 GLN B CB 5146 C CG . GLN B 248 ? 0.1951 0.2003 0.1623 -0.0296 -0.0307 0.0132 265 GLN B CG 5147 C CD . GLN B 248 ? 0.2168 0.2171 0.1843 -0.0309 -0.0287 0.0151 265 GLN B CD 5148 O OE1 . GLN B 248 ? 0.1754 0.1725 0.1418 -0.0294 -0.0271 0.0189 265 GLN B OE1 5149 N NE2 . GLN B 248 ? 0.1662 0.1659 0.1368 -0.0337 -0.0283 0.0131 265 GLN B NE2 5150 N N . SER B 249 ? 0.1626 0.1734 0.1210 -0.0298 -0.0309 0.0174 266 SER B N 5151 C CA . SER B 249 ? 0.1788 0.1900 0.1345 -0.0305 -0.0322 0.0186 266 SER B CA 5152 C C . SER B 249 ? 0.1528 0.1632 0.1071 -0.0307 -0.0307 0.0141 266 SER B C 5153 O O . SER B 249 ? 0.1802 0.1891 0.1352 -0.0292 -0.0312 0.0137 266 SER B O 5154 C CB . SER B 249 ? 0.2085 0.2220 0.1604 -0.0346 -0.0335 0.0225 266 SER B CB 5155 O OG . SER B 249 ? 0.1987 0.2128 0.1543 -0.0336 -0.0342 0.0280 266 SER B OG 5156 N N . ARG B 250 ? 0.1759 0.1866 0.1290 -0.0323 -0.0278 0.0112 267 ARG B N 5157 C CA . ARG B 250 ? 0.1853 0.1942 0.1389 -0.0318 -0.0246 0.0070 267 ARG B CA 5158 C C . ARG B 250 ? 0.1745 0.1836 0.1354 -0.0269 -0.0253 0.0067 267 ARG B C 5159 O O . ARG B 250 ? 0.1692 0.1760 0.1313 -0.0253 -0.0239 0.0053 267 ARG B O 5160 C CB . ARG B 250 ? 0.1877 0.1967 0.1405 -0.0337 -0.0198 0.0045 267 ARG B CB 5161 C CG . ARG B 250 ? 0.1981 0.2052 0.1399 -0.0393 -0.0185 0.0042 267 ARG B CG 5162 C CD . ARG B 250 ? 0.2449 0.2505 0.1842 -0.0413 -0.0118 0.0012 267 ARG B CD 5163 N NE . ARG B 250 ? 0.2827 0.2853 0.2075 -0.0475 -0.0109 0.0008 267 ARG B NE 5164 C CZ . ARG B 250 ? 0.3139 0.3163 0.2324 -0.0508 -0.0076 0.0016 267 ARG B CZ 5165 N NH1 . ARG B 250 ? 0.3439 0.3491 0.2710 -0.0484 -0.0042 0.0025 267 ARG B NH1 5166 N NH2 . ARG B 250 ? 0.3019 0.3014 0.2047 -0.0571 -0.0080 0.0018 267 ARG B NH2 5167 N N . ALA B 251 ? 0.1768 0.1881 0.1416 -0.0251 -0.0275 0.0081 268 ALA B N 5168 C CA . ALA B 251 ? 0.1757 0.1877 0.1453 -0.0214 -0.0294 0.0083 268 ALA B CA 5169 C C . ALA B 251 ? 0.1759 0.1846 0.1423 -0.0193 -0.0311 0.0099 268 ALA B C 5170 O O . ALA B 251 ? 0.1616 0.1694 0.1301 -0.0165 -0.0311 0.0102 268 ALA B O 5171 C CB . ALA B 251 ? 0.1560 0.1700 0.1279 -0.0216 -0.0321 0.0089 268 ALA B CB 5172 N N . GLN B 252 ? 0.1536 0.1605 0.1161 -0.0203 -0.0320 0.0119 269 GLN B N 5173 C CA . GLN B 252 ? 0.1675 0.1716 0.1285 -0.0182 -0.0325 0.0138 269 GLN B CA 5174 C C . GLN B 252 ? 0.1590 0.1621 0.1207 -0.0185 -0.0311 0.0133 269 GLN B C 5175 O O . GLN B 252 ? 0.1595 0.1603 0.1220 -0.0158 -0.0307 0.0141 269 GLN B O 5176 C CB . GLN B 252 ? 0.1900 0.1928 0.1498 -0.0187 -0.0325 0.0169 269 GLN B CB 5177 C CG . GLN B 252 ? 0.1990 0.1984 0.1582 -0.0158 -0.0316 0.0190 269 GLN B CG 5178 C CD . GLN B 252 ? 0.1981 0.1970 0.1597 -0.0157 -0.0303 0.0232 269 GLN B CD 5179 O OE1 . GLN B 252 ? 0.1706 0.1730 0.1349 -0.0183 -0.0313 0.0255 269 GLN B OE1 5180 N NE2 . GLN B 252 ? 0.1720 0.1668 0.1332 -0.0127 -0.0279 0.0251 269 GLN B NE2 5181 N N . MET B 253 ? 0.1778 0.1816 0.1380 -0.0222 -0.0301 0.0119 270 MET B N 5182 C CA . MET B 253 ? 0.2016 0.2028 0.1611 -0.0239 -0.0285 0.0103 270 MET B CA 5183 C C . MET B 253 ? 0.1731 0.1719 0.1363 -0.0206 -0.0256 0.0082 270 MET B C 5184 O O . MET B 253 ? 0.1766 0.1721 0.1416 -0.0191 -0.0244 0.0087 270 MET B O 5185 C CB . MET B 253 ? 0.1751 0.1764 0.1293 -0.0295 -0.0279 0.0081 270 MET B CB 5186 C CG . MET B 253 ? 0.2049 0.2021 0.1558 -0.0335 -0.0266 0.0056 270 MET B CG 5187 S SD . MET B 253 ? 0.2257 0.2250 0.1788 -0.0353 -0.0309 0.0102 270 MET B SD 5188 C CE . MET B 253 ? 0.2344 0.2277 0.1834 -0.0412 -0.0291 0.0056 270 MET B CE 5189 N N . ALA B 254 ? 0.1822 0.1830 0.1482 -0.0195 -0.0242 0.0067 271 ALA B N 5190 C CA . ALA B 254 ? 0.1796 0.1797 0.1524 -0.0159 -0.0213 0.0062 271 ALA B CA 5191 C C . ALA B 254 ? 0.2053 0.2062 0.1813 -0.0113 -0.0242 0.0099 271 ALA B C 5192 O O . ALA B 254 ? 0.1956 0.1939 0.1758 -0.0083 -0.0221 0.0111 271 ALA B O 5193 C CB . ALA B 254 ? 0.1791 0.1831 0.1569 -0.0157 -0.0195 0.0050 271 ALA B CB 5194 N N . LEU B 255 ? 0.1647 0.1681 0.1380 -0.0108 -0.0284 0.0118 272 LEU B N 5195 C CA . LEU B 255 ? 0.1584 0.1619 0.1316 -0.0073 -0.0314 0.0150 272 LEU B CA 5196 C C . LEU B 255 ? 0.1730 0.1715 0.1422 -0.0061 -0.0303 0.0170 272 LEU B C 5197 O O . LEU B 255 ? 0.1891 0.1859 0.1594 -0.0028 -0.0303 0.0198 272 LEU B O 5198 C CB . LEU B 255 ? 0.1689 0.1747 0.1383 -0.0083 -0.0355 0.0153 272 LEU B CB 5199 C CG . LEU B 255 ? 0.1684 0.1801 0.1442 -0.0092 -0.0372 0.0145 272 LEU B CG 5200 C CD1 . LEU B 255 ? 0.2240 0.2361 0.1953 -0.0122 -0.0399 0.0132 272 LEU B CD1 5201 C CD2 . LEU B 255 ? 0.2211 0.2369 0.2035 -0.0061 -0.0400 0.0177 272 LEU B CD2 5202 N N . TRP B 256 ? 0.1627 0.1594 0.1286 -0.0087 -0.0294 0.0164 273 TRP B N 5203 C CA . TRP B 256 ? 0.1855 0.1784 0.1505 -0.0080 -0.0278 0.0186 273 TRP B CA 5204 C C . TRP B 256 ? 0.2238 0.2138 0.1931 -0.0076 -0.0248 0.0180 273 TRP B C 5205 O O . TRP B 256 ? 0.2232 0.2098 0.1936 -0.0050 -0.0233 0.0208 273 TRP B O 5206 C CB . TRP B 256 ? 0.2062 0.1997 0.1703 -0.0113 -0.0278 0.0190 273 TRP B CB 5207 C CG . TRP B 256 ? 0.1787 0.1713 0.1401 -0.0098 -0.0280 0.0218 273 TRP B CG 5208 C CD1 . TRP B 256 ? 0.2174 0.2089 0.1808 -0.0097 -0.0262 0.0250 273 TRP B CD1 5209 C CD2 . TRP B 256 ? 0.1645 0.1563 0.1212 -0.0084 -0.0290 0.0214 273 TRP B CD2 5210 N NE1 . TRP B 256 ? 0.2290 0.2183 0.1893 -0.0077 -0.0248 0.0266 273 TRP B NE1 5211 C CE2 . TRP B 256 ? 0.1671 0.1558 0.1222 -0.0073 -0.0266 0.0239 273 TRP B CE2 5212 C CE3 . TRP B 256 ? 0.1805 0.1738 0.1351 -0.0084 -0.0314 0.0192 273 TRP B CE3 5213 C CZ2 . TRP B 256 ? 0.1719 0.1568 0.1209 -0.0064 -0.0258 0.0233 273 TRP B CZ2 5214 C CZ3 . TRP B 256 ? 0.2118 0.2026 0.1608 -0.0083 -0.0321 0.0188 273 TRP B CZ3 5215 C CH2 . TRP B 256 ? 0.2082 0.1938 0.1533 -0.0074 -0.0289 0.0204 273 TRP B CH2 5216 N N . THR B 257 ? 0.1889 0.1791 0.1603 -0.0102 -0.0230 0.0143 274 THR B N 5217 C CA . THR B 257 ? 0.2109 0.1963 0.1861 -0.0102 -0.0187 0.0126 274 THR B CA 5218 C C . THR B 257 ? 0.1970 0.1817 0.1781 -0.0045 -0.0173 0.0157 274 THR B C 5219 O O . THR B 257 ? 0.2106 0.1903 0.1947 -0.0027 -0.0144 0.0175 274 THR B O 5220 C CB . THR B 257 ? 0.2262 0.2104 0.1999 -0.0145 -0.0159 0.0073 274 THR B CB 5221 O OG1 . THR B 257 ? 0.2301 0.2147 0.1977 -0.0203 -0.0180 0.0060 274 THR B OG1 5222 C CG2 . THR B 257 ? 0.2160 0.1929 0.1934 -0.0144 -0.0093 0.0045 274 THR B CG2 5223 N N A VAL B 258 ? 0.2195 0.2095 0.2035 -0.0019 -0.0197 0.0171 275 VAL B N 5224 N N B VAL B 258 ? 0.1870 0.1771 0.1709 -0.0020 -0.0198 0.0170 275 VAL B N 5225 C CA A VAL B 258 ? 0.2546 0.2457 0.2456 0.0033 -0.0198 0.0217 275 VAL B CA 5226 C CA B VAL B 258 ? 0.2160 0.2077 0.2069 0.0032 -0.0201 0.0216 275 VAL B CA 5227 C C A VAL B 258 ? 0.2815 0.2716 0.2679 0.0060 -0.0229 0.0269 275 VAL B C 5228 C C B VAL B 258 ? 0.2442 0.2347 0.2306 0.0060 -0.0232 0.0268 275 VAL B C 5229 O O A VAL B 258 ? 0.2138 0.2026 0.2048 0.0101 -0.0221 0.0316 275 VAL B O 5230 O O B VAL B 258 ? 0.2600 0.2497 0.2512 0.0102 -0.0226 0.0317 275 VAL B O 5231 C CB A VAL B 258 ? 0.3190 0.3175 0.3166 0.0048 -0.0222 0.0227 275 VAL B CB 5232 C CB B VAL B 258 ? 0.2369 0.2365 0.2332 0.0042 -0.0232 0.0224 275 VAL B CB 5233 C CG1 A VAL B 258 ? 0.2674 0.2653 0.2704 0.0030 -0.0165 0.0181 275 VAL B CG1 5234 C CG1 B VAL B 258 ? 0.2754 0.2792 0.2654 0.0043 -0.0304 0.0251 275 VAL B CG1 5235 C CG2 A VAL B 258 ? 0.2112 0.2148 0.2020 0.0028 -0.0286 0.0227 275 VAL B CG2 5236 C CG2 B VAL B 258 ? 0.1885 0.1903 0.1983 0.0090 -0.0206 0.0262 275 VAL B CG2 5237 N N . LEU B 259 ? 0.2278 0.2176 0.2052 0.0039 -0.0255 0.0264 276 LEU B N 5238 C CA . LEU B 259 ? 0.2182 0.2052 0.1891 0.0061 -0.0267 0.0307 276 LEU B CA 5239 C C . LEU B 259 ? 0.2124 0.1933 0.1840 0.0060 -0.0220 0.0318 276 LEU B C 5240 O O . LEU B 259 ? 0.2167 0.1945 0.1831 0.0076 -0.0215 0.0354 276 LEU B O 5241 C CB . LEU B 259 ? 0.2220 0.2098 0.1834 0.0042 -0.0297 0.0296 276 LEU B CB 5242 C CG . LEU B 259 ? 0.2621 0.2549 0.2212 0.0035 -0.0348 0.0289 276 LEU B CG 5243 C CD1 . LEU B 259 ? 0.3020 0.2928 0.2518 0.0009 -0.0357 0.0265 276 LEU B CD1 5244 C CD2 . LEU B 259 ? 0.3106 0.3048 0.2679 0.0065 -0.0385 0.0339 276 LEU B CD2 5245 N N . ALA B 260 ? 0.1965 0.1750 0.1739 0.0036 -0.0184 0.0286 277 ALA B N 5246 C CA . ALA B 260 ? 0.1999 0.1728 0.1791 0.0020 -0.0145 0.0292 277 ALA B CA 5247 C C . ALA B 260 ? 0.2181 0.1919 0.1927 0.0002 -0.0155 0.0304 277 ALA B C 5248 O O . ALA B 260 ? 0.2196 0.1900 0.1946 0.0012 -0.0129 0.0339 277 ALA B O 5249 C CB . ALA B 260 ? 0.2275 0.1956 0.2104 0.0065 -0.0114 0.0343 277 ALA B CB 5250 N N . ALA B 261 ? 0.2036 0.1818 0.1751 -0.0022 -0.0184 0.0279 278 ALA B N 5251 C CA . ALA B 261 ? 0.1952 0.1745 0.1649 -0.0035 -0.0185 0.0295 278 ALA B CA 5252 C C . ALA B 261 ? 0.1877 0.1681 0.1631 -0.0084 -0.0179 0.0287 278 ALA B C 5253 O O . ALA B 261 ? 0.2007 0.1813 0.1778 -0.0124 -0.0186 0.0250 278 ALA B O 5254 C CB . ALA B 261 ? 0.1911 0.1741 0.1563 -0.0040 -0.0215 0.0279 278 ALA B CB 5255 N N . PRO B 262 ? 0.2125 0.1937 0.1907 -0.0087 -0.0166 0.0324 279 PRO B N 5256 C CA . PRO B 262 ? 0.1771 0.1625 0.1617 -0.0140 -0.0182 0.0328 279 PRO B CA 5257 C C . PRO B 262 ? 0.2012 0.1914 0.1832 -0.0174 -0.0224 0.0298 279 PRO B C 5258 O O . PRO B 262 ? 0.2016 0.1925 0.1787 -0.0148 -0.0233 0.0289 279 PRO B O 5259 C CB . PRO B 262 ? 0.1920 0.1789 0.1811 -0.0119 -0.0157 0.0383 279 PRO B CB 5260 C CG . PRO B 262 ? 0.2304 0.2108 0.2141 -0.0061 -0.0112 0.0403 279 PRO B CG 5261 C CD . PRO B 262 ? 0.2262 0.2050 0.2013 -0.0043 -0.0137 0.0365 279 PRO B CD 5262 N N . LEU B 263 ? 0.1891 0.1822 0.1735 -0.0237 -0.0252 0.0283 280 LEU B N 5263 C CA . LEU B 263 ? 0.2570 0.2551 0.2385 -0.0276 -0.0293 0.0270 280 LEU B CA 5264 C C . LEU B 263 ? 0.2071 0.2122 0.1964 -0.0306 -0.0322 0.0328 280 LEU B C 5265 O O . LEU B 263 ? 0.2217 0.2303 0.2135 -0.0373 -0.0359 0.0332 280 LEU B O 5266 C CB . LEU B 263 ? 0.2088 0.2048 0.1847 -0.0333 -0.0305 0.0212 280 LEU B CB 5267 C CG . LEU B 263 ? 0.2231 0.2128 0.1946 -0.0300 -0.0266 0.0164 280 LEU B CG 5268 C CD1 . LEU B 263 ? 0.2465 0.2322 0.2126 -0.0360 -0.0256 0.0103 280 LEU B CD1 5269 C CD2 . LEU B 263 ? 0.2306 0.2223 0.1994 -0.0252 -0.0268 0.0164 280 LEU B CD2 5270 N N . LEU B 264 ? 0.1916 0.1982 0.1850 -0.0256 -0.0302 0.0375 281 LEU B N 5271 C CA . LEU B 264 ? 0.2018 0.2152 0.2058 -0.0265 -0.0314 0.0445 281 LEU B CA 5272 C C . LEU B 264 ? 0.2126 0.2300 0.2154 -0.0262 -0.0337 0.0463 281 LEU B C 5273 O O . LEU B 264 ? 0.1996 0.2138 0.2000 -0.0212 -0.0304 0.0464 281 LEU B O 5274 C CB . LEU B 264 ? 0.1889 0.1998 0.2000 -0.0210 -0.0253 0.0490 281 LEU B CB 5275 C CG . LEU B 264 ? 0.2116 0.2197 0.2264 -0.0221 -0.0231 0.0489 281 LEU B CG 5276 C CD1 . LEU B 264 ? 0.2858 0.2884 0.3025 -0.0155 -0.0153 0.0523 281 LEU B CD1 5277 C CD2 . LEU B 264 ? 0.2261 0.2416 0.2522 -0.0291 -0.0274 0.0523 281 LEU B CD2 5278 N N . MET B 265 ? 0.1844 0.2083 0.1879 -0.0324 -0.0397 0.0476 282 MET B N 5279 C CA . MET B 265 ? 0.2073 0.2356 0.2103 -0.0329 -0.0425 0.0507 282 MET B CA 5280 C C . MET B 265 ? 0.2095 0.2430 0.2267 -0.0295 -0.0409 0.0598 282 MET B C 5281 O O . MET B 265 ? 0.2086 0.2448 0.2372 -0.0286 -0.0393 0.0644 282 MET B O 5282 C CB . MET B 265 ? 0.2537 0.2883 0.2532 -0.0414 -0.0499 0.0511 282 MET B CB 5283 C CG . MET B 265 ? 0.2714 0.3006 0.2577 -0.0465 -0.0508 0.0424 282 MET B CG 5284 S SD . MET B 265 ? 0.2801 0.3157 0.2591 -0.0578 -0.0596 0.0435 282 MET B SD 5285 C CE . MET B 265 ? 0.2552 0.2970 0.2449 -0.0644 -0.0648 0.0478 282 MET B CE 5286 N N . SER B 266 ? 0.2090 0.2441 0.2270 -0.0275 -0.0408 0.0631 283 SER B N 5287 C CA . SER B 266 ? 0.1702 0.2102 0.2033 -0.0241 -0.0388 0.0727 283 SER B CA 5288 C C . SER B 266 ? 0.2157 0.2588 0.2474 -0.0250 -0.0418 0.0760 283 SER B C 5289 O O . SER B 266 ? 0.1976 0.2340 0.2247 -0.0210 -0.0371 0.0737 283 SER B O 5290 C CB . SER B 266 ? 0.2036 0.2351 0.2395 -0.0164 -0.0292 0.0722 283 SER B CB 5291 O OG . SER B 266 ? 0.2034 0.2386 0.2559 -0.0126 -0.0252 0.0818 283 SER B OG 5292 N N . THR B 267 ? 0.2152 0.2684 0.2499 -0.0312 -0.0500 0.0815 284 THR B N 5293 C CA . THR B 267 ? 0.1978 0.2543 0.2278 -0.0337 -0.0541 0.0846 284 THR B CA 5294 C C . THR B 267 ? 0.2242 0.2940 0.2625 -0.0399 -0.0634 0.0945 284 THR B C 5295 O O . THR B 267 ? 0.2296 0.3051 0.2742 -0.0439 -0.0674 0.0962 284 THR B O 5296 C CB . THR B 267 ? 0.1898 0.2399 0.2000 -0.0373 -0.0551 0.0743 284 THR B CB 5297 O OG1 . THR B 267 ? 0.2148 0.2664 0.2209 -0.0382 -0.0567 0.0777 284 THR B OG1 5298 C CG2 . THR B 267 ? 0.2357 0.2877 0.2363 -0.0452 -0.0608 0.0693 284 THR B CG2 5299 N N . ASP B 268 ? 0.1989 0.2741 0.2382 -0.0412 -0.0673 0.1019 285 ASP B N 5300 C CA . ASP B 268 ? 0.2111 0.3002 0.2582 -0.0475 -0.0774 0.1129 285 ASP B CA 5301 C C . ASP B 268 ? 0.2617 0.3518 0.2889 -0.0582 -0.0857 0.1065 285 ASP B C 5302 O O . ASP B 268 ? 0.2367 0.3238 0.2483 -0.0612 -0.0873 0.1039 285 ASP B O 5303 C CB . ASP B 268 ? 0.2211 0.3157 0.2772 -0.0446 -0.0784 0.1247 285 ASP B CB 5304 C CG . ASP B 268 ? 0.2352 0.3465 0.3055 -0.0496 -0.0890 0.1394 285 ASP B CG 5305 O OD1 . ASP B 268 ? 0.2578 0.3757 0.3239 -0.0581 -0.0976 0.1381 285 ASP B OD1 5306 O OD2 . ASP B 268 ? 0.2810 0.3987 0.3668 -0.0453 -0.0889 0.1525 285 ASP B OD2 5307 N N . LEU B 269 ? 0.2354 0.3287 0.2630 -0.0642 -0.0903 0.1039 286 LEU B N 5308 C CA . LEU B 269 ? 0.1947 0.2859 0.2020 -0.0749 -0.0966 0.0959 286 LEU B CA 5309 C C . LEU B 269 ? 0.2334 0.3350 0.2347 -0.0838 -0.1080 0.1044 286 LEU B C 5310 O O . LEU B 269 ? 0.2980 0.3961 0.2777 -0.0931 -0.1124 0.0977 286 LEU B O 5311 C CB . LEU B 269 ? 0.2284 0.3196 0.2394 -0.0794 -0.0982 0.0915 286 LEU B CB 5312 C CG . LEU B 269 ? 0.2527 0.3334 0.2666 -0.0724 -0.0880 0.0829 286 LEU B CG 5313 C CD1 . LEU B 269 ? 0.2116 0.2934 0.2298 -0.0785 -0.0908 0.0802 286 LEU B CD1 5314 C CD2 . LEU B 269 ? 0.2327 0.2999 0.2276 -0.0700 -0.0813 0.0708 286 LEU B CD2 5315 N N . ARG B 270 ? 0.2556 0.3693 0.2755 -0.0809 -0.1120 0.1192 287 ARG B N 5316 C CA . ARG B 270 ? 0.2642 0.3898 0.2809 -0.0888 -0.1239 0.1302 287 ARG B CA 5317 C C . ARG B 270 ? 0.3161 0.4362 0.3152 -0.0885 -0.1223 0.1295 287 ARG B C 5318 O O . ARG B 270 ? 0.3041 0.4301 0.2902 -0.0971 -0.1316 0.1348 287 ARG B O 5319 C CB . ARG B 270 ? 0.2369 0.3782 0.2832 -0.0847 -0.1281 0.1482 287 ARG B CB 5320 C CG . ARG B 270 ? 0.2523 0.4013 0.3190 -0.0854 -0.1300 0.1511 287 ARG B CG 5321 C CD . ARG B 270 ? 0.3444 0.5066 0.4442 -0.0780 -0.1297 0.1684 287 ARG B CD 5322 N NE . ARG B 270 ? 0.2551 0.4075 0.3638 -0.0645 -0.1155 0.1682 287 ARG B NE 5323 C CZ . ARG B 270 ? 0.3655 0.5235 0.5024 -0.0552 -0.1095 0.1800 287 ARG B CZ 5324 N NH1 . ARG B 270 ? 0.4404 0.6156 0.6031 -0.0570 -0.1164 0.1946 287 ARG B NH1 5325 N NH2 . ARG B 270 ? 0.2400 0.3858 0.3796 -0.0443 -0.0960 0.1773 287 ARG B NH2 5326 N N . THR B 271 ? 0.2523 0.3616 0.2515 -0.0789 -0.1107 0.1242 288 THR B N 5327 C CA . THR B 271 ? 0.2672 0.3709 0.2534 -0.0775 -0.1075 0.1238 288 THR B CA 5328 C C . THR B 271 ? 0.3552 0.4435 0.3247 -0.0752 -0.0977 0.1081 288 THR B C 5329 O O . THR B 271 ? 0.3457 0.4287 0.3067 -0.0732 -0.0933 0.1071 288 THR B O 5330 C CB . THR B 271 ? 0.2945 0.4010 0.3011 -0.0675 -0.1026 0.1355 288 THR B CB 5331 O OG1 . THR B 271 ? 0.3211 0.4202 0.3411 -0.0581 -0.0922 0.1302 288 THR B OG1 5332 C CG2 . THR B 271 ? 0.3519 0.4749 0.3774 -0.0690 -0.1121 0.1538 288 THR B CG2 5333 N N . ILE B 272 ? 0.2273 0.3091 0.1933 -0.0756 -0.0943 0.0967 289 ILE B N 5334 C CA . ILE B 272 ? 0.2657 0.3344 0.2205 -0.0722 -0.0849 0.0832 289 ILE B CA 5335 C C . ILE B 272 ? 0.3081 0.3723 0.2402 -0.0790 -0.0854 0.0782 289 ILE B C 5336 O O . ILE B 272 ? 0.3011 0.3687 0.2201 -0.0886 -0.0928 0.0793 289 ILE B O 5337 C CB . ILE B 272 ? 0.2155 0.2793 0.1706 -0.0725 -0.0825 0.0738 289 ILE B CB 5338 C CG1 . ILE B 272 ? 0.2328 0.2848 0.1811 -0.0675 -0.0730 0.0621 289 ILE B CG1 5339 C CG2 . ILE B 272 ? 0.2856 0.3515 0.2287 -0.0838 -0.0900 0.0708 289 ILE B CG2 5340 C CD1 . ILE B 272 ? 0.2845 0.3311 0.2354 -0.0659 -0.0695 0.0543 289 ILE B CD1 5341 N N . SER B 273 ? 0.2862 0.3424 0.2130 -0.0745 -0.0774 0.0726 290 SER B N 5342 C CA . SER B 273 ? 0.3306 0.3814 0.2371 -0.0799 -0.0754 0.0678 290 SER B CA 5343 C C . SER B 273 ? 0.3310 0.3739 0.2222 -0.0853 -0.0728 0.0553 290 SER B C 5344 O O . SER B 273 ? 0.2917 0.3310 0.1894 -0.0825 -0.0700 0.0488 290 SER B O 5345 C CB . SER B 273 ? 0.3290 0.3743 0.2381 -0.0733 -0.0670 0.0659 290 SER B CB 5346 O OG . SER B 273 ? 0.3020 0.3405 0.2161 -0.0679 -0.0600 0.0561 290 SER B OG 5347 N N . ALA B 274 ? 0.3384 0.3774 0.2087 -0.0931 -0.0729 0.0521 291 ALA B N 5348 C CA . ALA B 274 ? 0.3474 0.3762 0.2015 -0.0983 -0.0680 0.0395 291 ALA B CA 5349 C C . ALA B 274 ? 0.3133 0.3342 0.1750 -0.0900 -0.0571 0.0307 291 ALA B C 5350 O O . ALA B 274 ? 0.3382 0.3531 0.2000 -0.0899 -0.0535 0.0224 291 ALA B O 5351 C CB . ALA B 274 ? 0.3882 0.4123 0.2170 -0.1073 -0.0675 0.0377 291 ALA B CB 5352 N N . GLN B 275 ? 0.3336 0.3550 0.2026 -0.0835 -0.0523 0.0333 292 GLN B N 5353 C CA . GLN B 275 ? 0.3081 0.3243 0.1858 -0.0761 -0.0435 0.0265 292 GLN B CA 5354 C C . GLN B 275 ? 0.2907 0.3076 0.1838 -0.0701 -0.0441 0.0250 292 GLN B C 5355 O O . GLN B 275 ? 0.3054 0.3169 0.2003 -0.0676 -0.0389 0.0175 292 GLN B O 5356 C CB . GLN B 275 ? 0.3970 0.4151 0.2817 -0.0713 -0.0404 0.0311 292 GLN B CB 5357 C CG . GLN B 275 ? 0.5155 0.5287 0.4051 -0.0666 -0.0317 0.0243 292 GLN B CG 5358 C CD . GLN B 275 ? 0.5536 0.5673 0.4437 -0.0656 -0.0280 0.0279 292 GLN B CD 5359 O OE1 . GLN B 275 ? 0.4266 0.4443 0.3256 -0.0629 -0.0308 0.0349 292 GLN B OE1 5360 N NE2 . GLN B 275 ? 0.4932 0.5024 0.3745 -0.0680 -0.0208 0.0233 292 GLN B NE2 5361 N N . ASN B 276 ? 0.2542 0.2779 0.1586 -0.0677 -0.0500 0.0328 293 ASN B N 5362 C CA . ASN B 276 ? 0.2530 0.2774 0.1707 -0.0625 -0.0503 0.0324 293 ASN B CA 5363 C C . ASN B 276 ? 0.2466 0.2694 0.1609 -0.0669 -0.0526 0.0285 293 ASN B C 5364 O O . ASN B 276 ? 0.2701 0.2889 0.1900 -0.0633 -0.0492 0.0236 293 ASN B O 5365 C CB . ASN B 276 ? 0.2440 0.2749 0.1753 -0.0583 -0.0538 0.0420 293 ASN B CB 5366 C CG . ASN B 276 ? 0.2701 0.2990 0.2080 -0.0520 -0.0490 0.0429 293 ASN B CG 5367 O OD1 . ASN B 276 ? 0.2797 0.3035 0.2163 -0.0493 -0.0439 0.0361 293 ASN B OD1 5368 N ND2 . ASN B 276 ? 0.2573 0.2901 0.2024 -0.0501 -0.0506 0.0516 293 ASN B ND2 5369 N N . MET B 277 ? 0.2827 0.3082 0.1875 -0.0754 -0.0586 0.0307 294 MET B N 5370 C CA . MET B 277 ? 0.2799 0.3026 0.1797 -0.0814 -0.0607 0.0260 294 MET B CA 5371 C C . MET B 277 ? 0.3038 0.3151 0.1940 -0.0819 -0.0524 0.0146 294 MET B C 5372 O O . MET B 277 ? 0.3130 0.3197 0.2067 -0.0816 -0.0503 0.0098 294 MET B O 5373 C CB . MET B 277 ? 0.2827 0.3100 0.1704 -0.0924 -0.0693 0.0297 294 MET B CB 5374 C CG . MET B 277 ? 0.3348 0.3582 0.2157 -0.1006 -0.0719 0.0240 294 MET B CG 5375 S SD . MET B 277 ? 0.5273 0.5581 0.3951 -0.1150 -0.0850 0.0296 294 MET B SD 5376 C CE . MET B 277 ? 0.4031 0.4515 0.2946 -0.1099 -0.0938 0.0463 294 MET B CE 5377 N N . ASP B 278 ? 0.3098 0.3164 0.1899 -0.0820 -0.0468 0.0109 295 ASP B N 5378 C CA . ASP B 278 ? 0.3028 0.2985 0.1753 -0.0821 -0.0375 0.0008 295 ASP B CA 5379 C C . ASP B 278 ? 0.2928 0.2866 0.1807 -0.0727 -0.0320 -0.0014 295 ASP B C 5380 O O . ASP B 278 ? 0.3239 0.3096 0.2108 -0.0721 -0.0256 -0.0083 295 ASP B O 5381 C CB . ASP B 278 ? 0.3635 0.3557 0.2244 -0.0836 -0.0317 -0.0012 295 ASP B CB 5382 C CG . ASP B 278 ? 0.5540 0.5445 0.3935 -0.0945 -0.0354 -0.0011 295 ASP B CG 5383 O OD1 . ASP B 278 ? 0.4733 0.4631 0.3047 -0.1022 -0.0413 -0.0020 295 ASP B OD1 5384 O OD2 . ASP B 278 ? 0.5184 0.5084 0.3487 -0.0958 -0.0325 0.0002 295 ASP B OD2 5385 N N . ILE B 279 ? 0.2572 0.2577 0.1585 -0.0656 -0.0341 0.0044 296 ILE B N 5386 C CA . ILE B 279 ? 0.2409 0.2406 0.1554 -0.0572 -0.0306 0.0033 296 ILE B CA 5387 C C . ILE B 279 ? 0.2436 0.2421 0.1634 -0.0570 -0.0327 0.0032 296 ILE B C 5388 O O . ILE B 279 ? 0.2257 0.2184 0.1483 -0.0546 -0.0281 -0.0012 296 ILE B O 5389 C CB . ILE B 279 ? 0.1997 0.2056 0.1243 -0.0513 -0.0328 0.0093 296 ILE B CB 5390 C CG1 . ILE B 279 ? 0.2303 0.2368 0.1518 -0.0512 -0.0298 0.0092 296 ILE B CG1 5391 C CG2 . ILE B 279 ? 0.2079 0.2129 0.1435 -0.0439 -0.0308 0.0085 296 ILE B CG2 5392 C CD1 . ILE B 279 ? 0.2355 0.2467 0.1648 -0.0474 -0.0321 0.0150 296 ILE B CD1 5393 N N . LEU B 280 ? 0.2448 0.2491 0.1672 -0.0595 -0.0393 0.0089 297 LEU B N 5394 C CA . LEU B 280 ? 0.2907 0.2953 0.2209 -0.0590 -0.0413 0.0104 297 LEU B CA 5395 C C . LEU B 280 ? 0.2691 0.2670 0.1917 -0.0660 -0.0404 0.0044 297 LEU B C 5396 O O . LEU B 280 ? 0.2556 0.2503 0.1846 -0.0645 -0.0388 0.0032 297 LEU B O 5397 C CB . LEU B 280 ? 0.2317 0.2452 0.1692 -0.0598 -0.0481 0.0190 297 LEU B CB 5398 C CG . LEU B 280 ? 0.2014 0.2189 0.1485 -0.0521 -0.0474 0.0246 297 LEU B CG 5399 C CD1 . LEU B 280 ? 0.2237 0.2499 0.1764 -0.0540 -0.0531 0.0336 297 LEU B CD1 5400 C CD2 . LEU B 280 ? 0.2005 0.2155 0.1568 -0.0454 -0.0441 0.0246 297 LEU B CD2 5401 N N . GLN B 281 ? 0.2639 0.2589 0.1721 -0.0741 -0.0411 0.0007 298 GLN B N 5402 C CA . GLN B 281 ? 0.2492 0.2356 0.1476 -0.0820 -0.0394 -0.0063 298 GLN B CA 5403 C C . GLN B 281 ? 0.3353 0.3093 0.2259 -0.0813 -0.0291 -0.0155 298 GLN B C 5404 O O . GLN B 281 ? 0.3701 0.3344 0.2492 -0.0888 -0.0261 -0.0226 298 GLN B O 5405 C CB . GLN B 281 ? 0.2829 0.2722 0.1675 -0.0934 -0.0468 -0.0052 298 GLN B CB 5406 C CG . GLN B 281 ? 0.3179 0.3199 0.2133 -0.0950 -0.0572 0.0047 298 GLN B CG 5407 C CD . GLN B 281 ? 0.4077 0.4139 0.2912 -0.1077 -0.0665 0.0066 298 GLN B CD 5408 O OE1 . GLN B 281 ? 0.4609 0.4589 0.3244 -0.1164 -0.0653 -0.0004 298 GLN B OE1 5409 N NE2 . GLN B 281 ? 0.3225 0.3414 0.2181 -0.1090 -0.0758 0.0166 298 GLN B NE2 5410 N N . ASN B 282 ? 0.3102 0.2842 0.2078 -0.0725 -0.0233 -0.0154 299 ASN B N 5411 C CA . ASN B 282 ? 0.3026 0.2667 0.1979 -0.0700 -0.0128 -0.0223 299 ASN B CA 5412 C C . ASN B 282 ? 0.2871 0.2422 0.1870 -0.0696 -0.0082 -0.0266 299 ASN B C 5413 O O . ASN B 282 ? 0.2935 0.2518 0.2071 -0.0633 -0.0096 -0.0224 299 ASN B O 5414 C CB . ASN B 282 ? 0.2622 0.2315 0.1694 -0.0603 -0.0099 -0.0191 299 ASN B CB 5415 C CG . ASN B 282 ? 0.2882 0.2497 0.1973 -0.0567 0.0008 -0.0244 299 ASN B CG 5416 O OD1 . ASN B 282 ? 0.2874 0.2404 0.1994 -0.0557 0.0070 -0.0284 299 ASN B OD1 5417 N ND2 . ASN B 282 ? 0.3063 0.2712 0.2162 -0.0544 0.0038 -0.0236 299 ASN B ND2 5418 N N . PRO B 283 ? 0.3097 0.2523 0.1974 -0.0765 -0.0019 -0.0348 300 PRO B N 5419 C CA . PRO B 283 ? 0.3212 0.2546 0.2134 -0.0773 0.0018 -0.0384 300 PRO B CA 5420 C C . PRO B 283 ? 0.3098 0.2395 0.2176 -0.0666 0.0101 -0.0377 300 PRO B C 5421 O O . PRO B 283 ? 0.3240 0.2519 0.2418 -0.0638 0.0100 -0.0356 300 PRO B O 5422 C CB . PRO B 283 ? 0.4246 0.3436 0.2977 -0.0880 0.0075 -0.0483 300 PRO B CB 5423 C CG . PRO B 283 ? 0.4336 0.3570 0.2906 -0.0944 0.0032 -0.0483 300 PRO B CG 5424 C CD . PRO B 283 ? 0.3601 0.2957 0.2279 -0.0852 0.0012 -0.0410 300 PRO B CD 5425 N N . LEU B 284 ? 0.3019 0.2308 0.2124 -0.0611 0.0171 -0.0386 301 LEU B N 5426 C CA . LEU B 284 ? 0.3265 0.2541 0.2533 -0.0509 0.0238 -0.0363 301 LEU B CA 5427 C C . LEU B 284 ? 0.2858 0.2262 0.2260 -0.0434 0.0156 -0.0273 301 LEU B C 5428 O O . LEU B 284 ? 0.2767 0.2160 0.2283 -0.0376 0.0168 -0.0240 301 LEU B O 5429 C CB . LEU B 284 ? 0.3335 0.2590 0.2624 -0.0471 0.0330 -0.0386 301 LEU B CB 5430 C CG . LEU B 284 ? 0.3160 0.2409 0.2640 -0.0368 0.0403 -0.0354 301 LEU B CG 5431 C CD1 . LEU B 284 ? 0.3541 0.2673 0.3075 -0.0356 0.0465 -0.0374 301 LEU B CD1 5432 C CD2 . LEU B 284 ? 0.3277 0.2498 0.2773 -0.0348 0.0505 -0.0383 301 LEU B CD2 5433 N N . MET B 285 ? 0.2701 0.2213 0.2078 -0.0440 0.0076 -0.0233 302 MET B N 5434 C CA . MET B 285 ? 0.2281 0.1894 0.1755 -0.0380 0.0004 -0.0158 302 MET B CA 5435 C C . MET B 285 ? 0.2357 0.1957 0.1861 -0.0386 -0.0027 -0.0134 302 MET B C 5436 O O . MET B 285 ? 0.2399 0.2015 0.1999 -0.0321 -0.0030 -0.0089 302 MET B O 5437 C CB . MET B 285 ? 0.2336 0.2042 0.1764 -0.0400 -0.0065 -0.0126 302 MET B CB 5438 C CG . MET B 285 ? 0.2475 0.2265 0.1984 -0.0342 -0.0123 -0.0060 302 MET B CG 5439 S SD . MET B 285 ? 0.2457 0.2288 0.2068 -0.0261 -0.0100 -0.0039 302 MET B SD 5440 C CE . MET B 285 ? 0.2469 0.2338 0.2024 -0.0296 -0.0097 -0.0057 302 MET B CE 5441 N N . ILE B 286 ? 0.2550 0.2123 0.1971 -0.0469 -0.0053 -0.0160 303 ILE B N 5442 C CA . ILE B 286 ? 0.2547 0.2115 0.2009 -0.0488 -0.0085 -0.0135 303 ILE B CA 5443 C C . ILE B 286 ? 0.2585 0.2049 0.2107 -0.0461 -0.0010 -0.0157 303 ILE B C 5444 O O . ILE B 286 ? 0.2874 0.2347 0.2486 -0.0415 -0.0016 -0.0108 303 ILE B O 5445 C CB . ILE B 286 ? 0.2760 0.2334 0.2129 -0.0596 -0.0139 -0.0154 303 ILE B CB 5446 C CG1 . ILE B 286 ? 0.2521 0.2215 0.1877 -0.0603 -0.0219 -0.0099 303 ILE B CG1 5447 C CG2 . ILE B 286 ? 0.2874 0.2427 0.2304 -0.0626 -0.0155 -0.0138 303 ILE B CG2 5448 C CD1 . ILE B 286 ? 0.2789 0.2506 0.2038 -0.0714 -0.0281 -0.0110 303 ILE B CD1 5449 N N . LYS B 287 ? 0.2850 0.2206 0.2323 -0.0485 0.0068 -0.0226 304 LYS B N 5450 C CA . LYS B 287 ? 0.3027 0.2272 0.2576 -0.0449 0.0156 -0.0243 304 LYS B CA 5451 C C . LYS B 287 ? 0.3070 0.2368 0.2760 -0.0334 0.0164 -0.0168 304 LYS B C 5452 O O . LYS B 287 ? 0.2984 0.2244 0.2756 -0.0296 0.0185 -0.0132 304 LYS B O 5453 C CB . LYS B 287 ? 0.3515 0.2636 0.2998 -0.0477 0.0259 -0.0327 304 LYS B CB 5454 C CG . LYS B 287 ? 0.4639 0.3643 0.4227 -0.0420 0.0371 -0.0337 304 LYS B CG 5455 C CD . LYS B 287 ? 0.5183 0.4056 0.4697 -0.0450 0.0488 -0.0426 304 LYS B CD 5456 C CE . LYS B 287 ? 0.6801 0.5562 0.6450 -0.0378 0.0613 -0.0424 304 LYS B CE 5457 N NZ . LYS B 287 ? 0.6753 0.5396 0.6413 -0.0414 0.0642 -0.0444 304 LYS B NZ 5458 N N . ILE B 288 ? 0.2659 0.2042 0.2371 -0.0284 0.0145 -0.0141 305 ILE B N 5459 C CA . ILE B 288 ? 0.2534 0.1980 0.2361 -0.0189 0.0134 -0.0069 305 ILE B CA 5460 C C . ILE B 288 ? 0.2648 0.2156 0.2484 -0.0173 0.0061 -0.0007 305 ILE B C 5461 O O . ILE B 288 ? 0.2349 0.1844 0.2256 -0.0118 0.0071 0.0044 305 ILE B O 5462 C CB . ILE B 288 ? 0.2167 0.1696 0.2012 -0.0156 0.0120 -0.0058 305 ILE B CB 5463 C CG1 . ILE B 288 ? 0.2515 0.1976 0.2383 -0.0155 0.0217 -0.0108 305 ILE B CG1 5464 C CG2 . ILE B 288 ? 0.2208 0.1822 0.2153 -0.0074 0.0078 0.0022 305 ILE B CG2 5465 C CD1 . ILE B 288 ? 0.2577 0.2112 0.2456 -0.0144 0.0215 -0.0109 305 ILE B CD1 5466 N N . ASN B 289 ? 0.2556 0.2124 0.2322 -0.0218 -0.0003 -0.0007 306 ASN B N 5467 C CA . ASN B 289 ? 0.2487 0.2106 0.2268 -0.0199 -0.0055 0.0050 306 ASN B CA 5468 C C . ASN B 289 ? 0.2560 0.2113 0.2383 -0.0205 -0.0026 0.0066 306 ASN B C 5469 O O . ASN B 289 ? 0.2412 0.1972 0.2279 -0.0153 -0.0028 0.0124 306 ASN B O 5470 C CB . ASN B 289 ? 0.2534 0.2217 0.2259 -0.0251 -0.0115 0.0052 306 ASN B CB 5471 C CG . ASN B 289 ? 0.2295 0.2018 0.2052 -0.0228 -0.0147 0.0112 306 ASN B CG 5472 O OD1 . ASN B 289 ? 0.2438 0.2144 0.2218 -0.0261 -0.0147 0.0124 306 ASN B OD1 5473 N ND2 . ASN B 289 ? 0.2320 0.2089 0.2076 -0.0174 -0.0168 0.0150 306 ASN B ND2 5474 N N . GLN B 290 ? 0.2326 0.1807 0.2124 -0.0273 0.0002 0.0011 307 GLN B N 5475 C CA . GLN B 290 ? 0.2475 0.1883 0.2310 -0.0303 0.0031 0.0013 307 GLN B CA 5476 C C . GLN B 290 ? 0.2768 0.2068 0.2666 -0.0261 0.0115 0.0008 307 GLN B C 5477 O O . GLN B 290 ? 0.3168 0.2379 0.3094 -0.0297 0.0156 -0.0006 307 GLN B O 5478 C CB . GLN B 290 ? 0.2782 0.2161 0.2548 -0.0415 0.0013 -0.0048 307 GLN B CB 5479 C CG . GLN B 290 ? 0.2656 0.2147 0.2390 -0.0457 -0.0072 -0.0023 307 GLN B CG 5480 C CD . GLN B 290 ? 0.2765 0.2311 0.2582 -0.0440 -0.0101 0.0048 307 GLN B CD 5481 O OE1 . GLN B 290 ? 0.2933 0.2449 0.2792 -0.0493 -0.0099 0.0048 307 GLN B OE1 5482 N NE2 . GLN B 290 ? 0.2419 0.2038 0.2263 -0.0368 -0.0122 0.0107 307 GLN B NE2 5483 N N . ASP B 291 ? 0.2718 0.2028 0.2655 -0.0186 0.0142 0.0029 308 ASP B N 5484 C CA . ASP B 291 ? 0.2917 0.2133 0.2937 -0.0138 0.0225 0.0037 308 ASP B CA 5485 C C . ASP B 291 ? 0.2889 0.2063 0.2972 -0.0113 0.0241 0.0097 308 ASP B C 5486 O O . ASP B 291 ? 0.2832 0.2079 0.2919 -0.0076 0.0191 0.0166 308 ASP B O 5487 C CB . ASP B 291 ? 0.2732 0.2005 0.2816 -0.0052 0.0230 0.0082 308 ASP B CB 5488 C CG . ASP B 291 ? 0.2965 0.2153 0.3164 0.0006 0.0317 0.0109 308 ASP B CG 5489 O OD1 . ASP B 291 ? 0.3323 0.2421 0.3535 -0.0013 0.0399 0.0046 308 ASP B OD1 5490 O OD2 . ASP B 291 ? 0.2873 0.2078 0.3145 0.0072 0.0309 0.0196 308 ASP B OD2 5491 N N . PRO B 292 ? 0.2943 0.1987 0.3070 -0.0132 0.0322 0.0070 309 PRO B N 5492 C CA . PRO B 292 ? 0.3074 0.2072 0.3260 -0.0120 0.0341 0.0126 309 PRO B CA 5493 C C . PRO B 292 ? 0.3170 0.2202 0.3430 -0.0016 0.0342 0.0235 309 PRO B C 5494 O O . PRO B 292 ? 0.3367 0.2392 0.3647 -0.0005 0.0338 0.0294 309 PRO B O 5495 C CB . PRO B 292 ? 0.3646 0.2479 0.3864 -0.0167 0.0437 0.0064 309 PRO B CB 5496 C CG . PRO B 292 ? 0.4605 0.3391 0.4783 -0.0185 0.0482 -0.0015 309 PRO B CG 5497 C CD . PRO B 292 ? 0.3616 0.2539 0.3717 -0.0187 0.0399 -0.0023 309 PRO B CD 5498 N N . LEU B 293 ? 0.2844 0.1916 0.3145 0.0056 0.0345 0.0270 310 LEU B N 5499 C CA . LEU B 293 ? 0.2978 0.2097 0.3333 0.0147 0.0326 0.0382 310 LEU B CA 5500 C C . LEU B 293 ? 0.2756 0.1985 0.3021 0.0153 0.0235 0.0426 310 LEU B C 5501 O O . LEU B 293 ? 0.2971 0.2217 0.3234 0.0204 0.0219 0.0515 310 LEU B O 5502 C CB . LEU B 293 ? 0.3145 0.2295 0.3587 0.0218 0.0343 0.0417 310 LEU B CB 5503 C CG . LEU B 293 ? 0.3996 0.3023 0.4549 0.0231 0.0456 0.0389 310 LEU B CG 5504 C CD1 . LEU B 293 ? 0.3977 0.3063 0.4651 0.0314 0.0467 0.0450 310 LEU B CD1 5505 C CD2 . LEU B 293 ? 0.3599 0.2502 0.4215 0.0243 0.0527 0.0429 310 LEU B CD2 5506 N N . GLY B 294 ? 0.2930 0.1682 0.3704 -0.0030 0.0544 0.0351 311 GLY B N 5507 C CA . GLY B 294 ? 0.3037 0.1909 0.3631 -0.0021 0.0472 0.0399 311 GLY B CA 5508 C C . GLY B 294 ? 0.3313 0.2215 0.3789 0.0064 0.0412 0.0541 311 GLY B C 5509 O O . GLY B 294 ? 0.3254 0.2192 0.3602 0.0075 0.0398 0.0624 311 GLY B O 5510 N N . ILE B 295 ? 0.2725 0.1622 0.3242 0.0120 0.0378 0.0564 312 ILE B N 5511 C CA . ILE B 295 ? 0.2738 0.1694 0.3154 0.0194 0.0301 0.0692 312 ILE B CA 5512 C C . ILE B 295 ? 0.3021 0.2109 0.3289 0.0188 0.0202 0.0618 312 ILE B C 5513 O O . ILE B 295 ? 0.2821 0.1942 0.3137 0.0180 0.0180 0.0521 312 ILE B O 5514 C CB . ILE B 295 ? 0.2852 0.1757 0.3424 0.0264 0.0311 0.0775 312 ILE B CB 5515 C CG1 . ILE B 295 ? 0.3349 0.2099 0.4096 0.0275 0.0423 0.0855 312 ILE B CG1 5516 C CG2 . ILE B 295 ? 0.3082 0.2083 0.3549 0.0332 0.0211 0.0916 312 ILE B CG2 5517 C CD1 . ILE B 295 ? 0.3367 0.2041 0.4333 0.0344 0.0463 0.0913 312 ILE B CD1 5518 N N . GLN B 296 ? 0.2632 0.1786 0.2718 0.0188 0.0152 0.0660 313 GLN B N 5519 C CA . GLN B 296 ? 0.2455 0.1716 0.2409 0.0183 0.0067 0.0598 313 GLN B CA 5520 C C . GLN B 296 ? 0.2378 0.1692 0.2354 0.0231 -0.0008 0.0640 313 GLN B C 5521 O O . GLN B 296 ? 0.2648 0.1953 0.2656 0.0280 -0.0022 0.0765 313 GLN B O 5522 C CB . GLN B 296 ? 0.2645 0.1945 0.2408 0.0171 0.0050 0.0627 313 GLN B CB 5523 C CG . GLN B 296 ? 0.2395 0.1783 0.2019 0.0167 -0.0030 0.0569 313 GLN B CG 5524 C CD . GLN B 296 ? 0.2612 0.2018 0.2071 0.0145 -0.0014 0.0558 313 GLN B CD 5525 O OE1 . GLN B 296 ? 0.2645 0.2020 0.2127 0.0122 0.0059 0.0547 313 GLN B OE1 5526 N NE2 . GLN B 296 ? 0.2891 0.2348 0.2190 0.0150 -0.0078 0.0555 313 GLN B NE2 5527 N N . GLY B 297 ? 0.2467 0.1844 0.2444 0.0218 -0.0052 0.0546 314 GLY B N 5528 C CA . GLY B 297 ? 0.2370 0.1815 0.2387 0.0253 -0.0121 0.0572 314 GLY B CA 5529 C C . GLY B 297 ? 0.2685 0.2217 0.2540 0.0258 -0.0213 0.0619 314 GLY B C 5530 O O . GLY B 297 ? 0.2742 0.2269 0.2435 0.0237 -0.0215 0.0631 314 GLY B O 5531 N N . ARG B 298 ? 0.2550 0.2164 0.2457 0.0279 -0.0285 0.0638 315 ARG B N 5532 C CA . ARG B 298 ? 0.3134 0.2847 0.2915 0.0276 -0.0386 0.0676 315 ARG B CA 5533 C C . ARG B 298 ? 0.2572 0.2368 0.2423 0.0263 -0.0441 0.0610 315 ARG B C 5534 O O . ARG B 298 ? 0.2448 0.2244 0.2477 0.0281 -0.0408 0.0586 315 ARG B O 5535 C CB . ARG B 298 ? 0.3404 0.3163 0.3226 0.0328 -0.0434 0.0832 315 ARG B CB 5536 C CG . ARG B 298 ? 0.4547 0.4239 0.4275 0.0342 -0.0393 0.0933 315 ARG B CG 5537 C CD . ARG B 298 ? 0.3678 0.3419 0.3483 0.0405 -0.0440 0.1109 315 ARG B CD 5538 N NE . ARG B 298 ? 0.4221 0.4118 0.3941 0.0402 -0.0575 0.1153 315 ARG B NE 5539 C CZ . ARG B 298 ? 0.6557 0.6520 0.6031 0.0375 -0.0646 0.1198 315 ARG B CZ 5540 N NH1 . ARG B 298 ? 0.4390 0.4273 0.3670 0.0354 -0.0585 0.1213 315 ARG B NH1 5541 N NH2 . ARG B 298 ? 0.6781 0.6901 0.6203 0.0362 -0.0777 0.1222 315 ARG B NH2 5542 N N . ARG B 299 ? 0.2681 0.2550 0.2399 0.0229 -0.0520 0.0584 316 ARG B N 5543 C CA . ARG B 299 ? 0.2803 0.2775 0.2610 0.0218 -0.0590 0.0560 316 ARG B CA 5544 C C . ARG B 299 ? 0.2713 0.2785 0.2641 0.0264 -0.0659 0.0684 316 ARG B C 5545 O O . ARG B 299 ? 0.2759 0.2873 0.2573 0.0274 -0.0719 0.0774 316 ARG B O 5546 C CB . ARG B 299 ? 0.2595 0.2610 0.2242 0.0159 -0.0653 0.0488 316 ARG B CB 5547 C CG . ARG B 299 ? 0.3146 0.3249 0.2922 0.0136 -0.0701 0.0442 316 ARG B CG 5548 C CD . ARG B 299 ? 0.3238 0.3359 0.2882 0.0070 -0.0748 0.0356 316 ARG B CD 5549 N NE . ARG B 299 ? 0.2886 0.3084 0.2390 0.0047 -0.0841 0.0395 316 ARG B NE 5550 C CZ . ARG B 299 ? 0.3744 0.3948 0.3081 -0.0017 -0.0883 0.0317 316 ARG B CZ 5551 N NH1 . ARG B 299 ? 0.3675 0.3799 0.2986 -0.0058 -0.0832 0.0205 316 ARG B NH1 5552 N NH2 . ARG B 299 ? 0.4659 0.4945 0.3849 -0.0041 -0.0971 0.0354 316 ARG B NH2 5553 N N . ILE B 300 ? 0.2438 0.2556 0.2598 0.0296 -0.0648 0.0694 317 ILE B N 5554 C CA . ILE B 300 ? 0.2765 0.2990 0.3102 0.0353 -0.0706 0.0821 317 ILE B CA 5555 C C . ILE B 300 ? 0.2786 0.3179 0.3219 0.0331 -0.0808 0.0817 317 ILE B C 5556 O O . ILE B 300 ? 0.2966 0.3493 0.3504 0.0366 -0.0896 0.0933 317 ILE B O 5557 C CB . ILE B 300 ? 0.2428 0.2582 0.3010 0.0420 -0.0603 0.0861 317 ILE B CB 5558 C CG1 . ILE B 300 ? 0.3039 0.3162 0.3747 0.0403 -0.0521 0.0740 317 ILE B CG1 5559 C CG2 . ILE B 300 ? 0.2648 0.2652 0.3162 0.0441 -0.0518 0.0896 317 ILE B CG2 5560 C CD1 . ILE B 300 ? 0.3181 0.3268 0.4159 0.0469 -0.0429 0.0775 317 ILE B CD1 5561 N N . HIS B 301 ? 0.2446 0.2843 0.2851 0.0271 -0.0801 0.0693 318 HIS B N 5562 C CA . HIS B 301 ? 0.3484 0.4032 0.4014 0.0240 -0.0880 0.0676 318 HIS B CA 5563 C C . HIS B 301 ? 0.3210 0.3726 0.3579 0.0154 -0.0889 0.0546 318 HIS B C 5564 O O . HIS B 301 ? 0.2520 0.2904 0.2798 0.0137 -0.0800 0.0463 318 HIS B O 5565 C CB . HIS B 301 ? 0.4355 0.4925 0.5169 0.0281 -0.0805 0.0674 318 HIS B CB 5566 C CG . HIS B 301 ? 0.5169 0.5925 0.6235 0.0316 -0.0882 0.0770 318 HIS B CG 5567 N ND1 . HIS B 301 ? 0.8483 0.9397 0.9621 0.0261 -0.0976 0.0745 318 HIS B ND1 5568 C CD2 . HIS B 301 ? 0.8023 0.8836 0.9311 0.0403 -0.0878 0.0895 318 HIS B CD2 5569 C CE1 . HIS B 301 ? 0.8798 0.9881 1.0196 0.0311 -0.1035 0.0853 318 HIS B CE1 5570 N NE2 . HIS B 301 ? 0.9261 1.0284 1.0758 0.0403 -0.0975 0.0951 318 HIS B NE2 5571 N N . LYS B 302 ? 0.3017 0.3657 0.3359 0.0097 -0.0999 0.0530 319 LYS B N 5572 C CA . LYS B 302 ? 0.2934 0.3549 0.3187 0.0013 -0.1003 0.0407 319 LYS B CA 5573 C C . LYS B 302 ? 0.4283 0.5076 0.4735 -0.0023 -0.1090 0.0413 319 LYS B C 5574 O O . LYS B 302 ? 0.3529 0.4481 0.4047 -0.0012 -0.1201 0.0498 319 LYS B O 5575 C CB . LYS B 302 ? 0.4319 0.4882 0.4285 -0.0037 -0.1046 0.0360 319 LYS B CB 5576 C CG . LYS B 302 ? 0.6166 0.6673 0.6032 -0.0123 -0.1038 0.0227 319 LYS B CG 5577 C CD . LYS B 302 ? 0.8606 0.9087 0.8198 -0.0174 -0.1088 0.0181 319 LYS B CD 5578 C CE . LYS B 302 ? 0.9625 0.9995 0.9113 -0.0247 -0.1042 0.0041 319 LYS B CE 5579 N NZ . LYS B 302 ? 0.9963 1.0279 0.9174 -0.0290 -0.1057 -0.0015 319 LYS B NZ 5580 N N . GLU B 303 ? 0.2909 0.3688 0.3476 -0.0062 -0.1039 0.0337 320 GLU B N 5581 C CA . GLU B 303 ? 0.3024 0.3972 0.3823 -0.0102 -0.1100 0.0337 320 GLU B CA 5582 C C . GLU B 303 ? 0.3458 0.4393 0.4173 -0.0212 -0.1132 0.0223 320 GLU B C 5583 O O . GLU B 303 ? 0.2980 0.3749 0.3513 -0.0239 -0.1065 0.0143 320 GLU B O 5584 C CB . GLU B 303 ? 0.3065 0.4014 0.4110 -0.0061 -0.0993 0.0350 320 GLU B CB 5585 C CG . GLU B 303 ? 0.5781 0.6636 0.6856 0.0034 -0.0890 0.0404 320 GLU B CG 5586 C CD . GLU B 303 ? 0.7360 0.8349 0.8697 0.0110 -0.0907 0.0513 320 GLU B CD 5587 O OE1 . GLU B 303 ? 0.6790 0.7708 0.8120 0.0185 -0.0862 0.0575 320 GLU B OE1 5588 O OE2 . GLU B 303 ? 0.7311 0.8473 0.8881 0.0095 -0.0960 0.0540 320 GLU B OE2 5589 N N . LYS B 304 ? 0.3310 0.4420 0.4181 -0.0275 -0.1230 0.0215 321 LYS B N 5590 C CA . LYS B 304 ? 0.4354 0.5441 0.5180 -0.0391 -0.1251 0.0095 321 LYS B CA 5591 C C . LYS B 304 ? 0.3564 0.4513 0.4469 -0.0405 -0.1111 0.0036 321 LYS B C 5592 O O . LYS B 304 ? 0.3565 0.4411 0.4383 -0.0481 -0.1086 -0.0059 321 LYS B O 5593 C CB . LYS B 304 ? 0.5162 0.6482 0.6156 -0.0470 -0.1392 0.0091 321 LYS B CB 5594 C CG . LYS B 304 ? 0.5884 0.7407 0.7226 -0.0426 -0.1416 0.0190 321 LYS B CG 5595 C CD . LYS B 304 ? 0.7787 0.9570 0.9273 -0.0511 -0.1586 0.0191 321 LYS B CD 5596 C CE . LYS B 304 ? 0.8615 1.0637 1.0443 -0.0441 -0.1637 0.0327 321 LYS B CE 5597 N NZ . LYS B 304 ? 0.8489 1.0511 1.0619 -0.0419 -0.1506 0.0329 321 LYS B NZ 5598 N N . SER B 305 ? 0.3019 0.3958 0.4076 -0.0330 -0.1016 0.0097 322 SER B N 5599 C CA . SER B 305 ? 0.2531 0.3336 0.3613 -0.0329 -0.0876 0.0063 322 SER B CA 5600 C C . SER B 305 ? 0.2692 0.3288 0.3521 -0.0308 -0.0801 0.0026 322 SER B C 5601 O O . SER B 305 ? 0.2523 0.3015 0.3352 -0.0308 -0.0698 0.0008 322 SER B O 5602 C CB . SER B 305 ? 0.2461 0.3319 0.3739 -0.0254 -0.0793 0.0132 322 SER B CB 5603 O OG . SER B 305 ? 0.2666 0.3473 0.3853 -0.0166 -0.0772 0.0184 322 SER B OG 5604 N N . LEU B 306 ? 0.2431 0.2981 0.3058 -0.0288 -0.0851 0.0025 323 LEU B N 5605 C CA . LEU B 306 ? 0.2715 0.3092 0.3120 -0.0264 -0.0789 -0.0003 323 LEU B CA 5606 C C . LEU B 306 ? 0.2520 0.2837 0.2927 -0.0184 -0.0700 0.0047 323 LEU B C 5607 O O . LEU B 306 ? 0.2571 0.2761 0.2846 -0.0167 -0.0635 0.0026 323 LEU B O 5608 C CB . LEU B 306 ? 0.2628 0.2881 0.2972 -0.0325 -0.0737 -0.0083 323 LEU B CB 5609 C CG . LEU B 306 ? 0.3533 0.3820 0.3881 -0.0422 -0.0809 -0.0160 323 LEU B CG 5610 C CD1 . LEU B 306 ? 0.4000 0.4122 0.4298 -0.0467 -0.0729 -0.0233 323 LEU B CD1 5611 C CD2 . LEU B 306 ? 0.4090 0.4422 0.4266 -0.0439 -0.0910 -0.0181 323 LEU B CD2 5612 N N . ILE B 307 ? 0.2268 0.2681 0.2835 -0.0136 -0.0697 0.0109 324 ILE B N 5613 C CA . ILE B 307 ? 0.1622 0.1983 0.2183 -0.0064 -0.0625 0.0147 324 ILE B CA 5614 C C . ILE B 307 ? 0.2121 0.2481 0.2590 -0.0020 -0.0675 0.0197 324 ILE B C 5615 O O . ILE B 307 ? 0.2502 0.2975 0.3029 -0.0016 -0.0766 0.0246 324 ILE B O 5616 C CB . ILE B 307 ? 0.1891 0.2331 0.2678 -0.0031 -0.0569 0.0181 324 ILE B CB 5617 C CG1 . ILE B 307 ? 0.2366 0.2810 0.3238 -0.0077 -0.0506 0.0143 324 ILE B CG1 5618 C CG2 . ILE B 307 ? 0.2359 0.2722 0.3125 0.0031 -0.0483 0.0197 324 ILE B CG2 5619 C CD1 . ILE B 307 ? 0.2066 0.2371 0.2767 -0.0098 -0.0436 0.0100 324 ILE B CD1 5620 N N . GLU B 308 ? 0.1932 0.2176 0.2264 0.0009 -0.0618 0.0191 325 GLU B N 5621 C CA . GLU B 308 ? 0.2454 0.2676 0.2703 0.0052 -0.0640 0.0245 325 GLU B CA 5622 C C . GLU B 308 ? 0.1973 0.2147 0.2309 0.0108 -0.0555 0.0272 325 GLU B C 5623 O O . GLU B 308 ? 0.2705 0.2824 0.3056 0.0102 -0.0474 0.0224 325 GLU B O 5624 C CB . GLU B 308 ? 0.2537 0.2662 0.2560 0.0031 -0.0638 0.0209 325 GLU B CB 5625 C CG . GLU B 308 ? 0.3203 0.3348 0.3125 -0.0030 -0.0703 0.0159 325 GLU B CG 5626 C CD . GLU B 308 ? 0.4531 0.4583 0.4236 -0.0044 -0.0691 0.0123 325 GLU B CD 5627 O OE1 . GLU B 308 ? 0.3952 0.3918 0.3603 -0.0012 -0.0621 0.0128 325 GLU B OE1 5628 O OE2 . GLU B 308 ? 0.5725 0.5794 0.5321 -0.0092 -0.0747 0.0084 325 GLU B OE2 5629 N N . VAL B 309 ? 0.2189 0.2379 0.2574 0.0158 -0.0571 0.0350 326 VAL B N 5630 C CA . VAL B 309 ? 0.1983 0.2105 0.2455 0.0207 -0.0482 0.0368 326 VAL B CA 5631 C C . VAL B 309 ? 0.2254 0.2295 0.2603 0.0227 -0.0477 0.0410 326 VAL B C 5632 O O . VAL B 309 ? 0.2314 0.2398 0.2611 0.0241 -0.0549 0.0486 326 VAL B O 5633 C CB . VAL B 309 ? 0.2094 0.2294 0.2813 0.0261 -0.0474 0.0435 326 VAL B CB 5634 C CG1 . VAL B 309 ? 0.2426 0.2525 0.3236 0.0302 -0.0357 0.0425 326 VAL B CG1 5635 C CG2 . VAL B 309 ? 0.2319 0.2623 0.3180 0.0236 -0.0481 0.0402 326 VAL B CG2 5636 N N . TYR B 310 ? 0.2095 0.2030 0.2395 0.0223 -0.0392 0.0360 327 TYR B N 5637 C CA . TYR B 310 ? 0.2338 0.2188 0.2555 0.0237 -0.0363 0.0393 327 TYR B CA 5638 C C . TYR B 310 ? 0.2493 0.2278 0.2864 0.0273 -0.0276 0.0405 327 TYR B C 5639 O O . TYR B 310 ? 0.2433 0.2208 0.2905 0.0269 -0.0215 0.0341 327 TYR B O 5640 C CB . TYR B 310 ? 0.2103 0.1888 0.2162 0.0194 -0.0332 0.0318 327 TYR B CB 5641 C CG . TYR B 310 ? 0.2168 0.1981 0.2072 0.0161 -0.0393 0.0298 327 TYR B CG 5642 C CD1 . TYR B 310 ? 0.2612 0.2478 0.2522 0.0133 -0.0429 0.0254 327 TYR B CD1 5643 C CD2 . TYR B 310 ? 0.3190 0.2968 0.2949 0.0155 -0.0400 0.0319 327 TYR B CD2 5644 C CE1 . TYR B 310 ? 0.3158 0.3030 0.2939 0.0098 -0.0472 0.0223 327 TYR B CE1 5645 C CE2 . TYR B 310 ? 0.3751 0.3541 0.3367 0.0123 -0.0440 0.0285 327 TYR B CE2 5646 C CZ . TYR B 310 ? 0.3226 0.3059 0.2859 0.0094 -0.0476 0.0233 327 TYR B CZ 5647 O OH . TYR B 310 ? 0.5569 0.5392 0.5073 0.0059 -0.0503 0.0187 327 TYR B OH 5648 N N . MET B 311 ? 0.2383 0.2113 0.2766 0.0305 -0.0260 0.0482 328 MET B N 5649 C CA . MET B 311 ? 0.2173 0.1813 0.2715 0.0338 -0.0166 0.0495 328 MET B CA 5650 C C . MET B 311 ? 0.2679 0.2215 0.3141 0.0325 -0.0120 0.0512 328 MET B C 5651 O O . MET B 311 ? 0.2699 0.2248 0.3045 0.0331 -0.0169 0.0592 328 MET B O 5652 C CB . MET B 311 ? 0.2305 0.1990 0.3042 0.0410 -0.0183 0.0613 328 MET B CB 5653 C CG . MET B 311 ? 0.2946 0.2528 0.3896 0.0451 -0.0067 0.0616 328 MET B CG 5654 S SD . MET B 311 ? 0.3665 0.3106 0.4621 0.0474 -0.0009 0.0708 328 MET B SD 5655 C CE . MET B 311 ? 0.4413 0.3940 0.5472 0.0563 -0.0093 0.0925 328 MET B CE 5656 N N . ARG B 312 ? 0.2586 0.2027 0.3109 0.0301 -0.0024 0.0432 329 ARG B N 5657 C CA . ARG B 312 ? 0.2675 0.2012 0.3179 0.0282 0.0036 0.0441 329 ARG B CA 5658 C C . ARG B 312 ? 0.2696 0.1920 0.3403 0.0307 0.0139 0.0446 329 ARG B C 5659 O O . ARG B 312 ? 0.2763 0.1956 0.3560 0.0288 0.0203 0.0339 329 ARG B O 5660 C CB . ARG B 312 ? 0.2682 0.2011 0.3069 0.0209 0.0055 0.0321 329 ARG B CB 5661 C CG . ARG B 312 ? 0.2669 0.1910 0.3059 0.0182 0.0115 0.0330 329 ARG B CG 5662 C CD . ARG B 312 ? 0.2662 0.1924 0.2961 0.0112 0.0122 0.0228 329 ARG B CD 5663 N NE . ARG B 312 ? 0.2939 0.2116 0.3298 0.0083 0.0193 0.0237 329 ARG B NE 5664 C CZ . ARG B 312 ? 0.2521 0.1703 0.2864 0.0017 0.0218 0.0162 329 ARG B CZ 5665 N NH1 . ARG B 312 ? 0.2680 0.1777 0.3113 -0.0008 0.0291 0.0178 329 ARG B NH1 5666 N NH2 . ARG B 312 ? 0.2657 0.1937 0.2912 -0.0020 0.0170 0.0082 329 ARG B NH2 5667 N N . PRO B 313 ? 0.2798 0.1950 0.3575 0.0348 0.0166 0.0568 330 PRO B N 5668 C CA . PRO B 313 ? 0.2820 0.1835 0.3805 0.0369 0.0282 0.0571 330 PRO B CA 5669 C C . PRO B 313 ? 0.2705 0.1619 0.3679 0.0287 0.0369 0.0438 330 PRO B C 5670 O O . PRO B 313 ? 0.2850 0.1779 0.3684 0.0236 0.0346 0.0422 330 PRO B O 5671 C CB . PRO B 313 ? 0.3581 0.2554 0.4619 0.0432 0.0278 0.0761 330 PRO B CB 5672 C CG . PRO B 313 ? 0.4005 0.3111 0.4842 0.0440 0.0152 0.0848 330 PRO B CG 5673 C CD . PRO B 313 ? 0.3087 0.2275 0.3749 0.0374 0.0101 0.0710 330 PRO B CD 5674 N N . LEU B 314 ? 0.2934 0.1750 0.4066 0.0274 0.0472 0.0340 331 LEU B N 5675 C CA . LEU B 314 ? 0.2904 0.1636 0.4037 0.0183 0.0553 0.0187 331 LEU B CA 5676 C C . LEU B 314 ? 0.3207 0.1754 0.4564 0.0190 0.0691 0.0181 331 LEU B C 5677 O O . LEU B 314 ? 0.3342 0.1825 0.4873 0.0279 0.0730 0.0300 331 LEU B O 5678 C CB . LEU B 314 ? 0.2870 0.1671 0.3929 0.0128 0.0548 0.0019 331 LEU B CB 5679 C CG . LEU B 314 ? 0.2886 0.1854 0.3750 0.0120 0.0428 0.0016 331 LEU B CG 5680 C CD1 . LEU B 314 ? 0.2835 0.1853 0.3650 0.0074 0.0445 -0.0130 331 LEU B CD1 5681 C CD2 . LEU B 314 ? 0.2820 0.1842 0.3525 0.0070 0.0365 0.0023 331 LEU B CD2 5682 N N . SER B 315 ? 0.3178 0.1642 0.4543 0.0094 0.0763 0.0039 332 SER B N 5683 C CA . SER B 315 ? 0.3739 0.2009 0.5316 0.0075 0.0910 -0.0012 332 SER B CA 5684 C C . SER B 315 ? 0.3675 0.1876 0.5409 0.0119 0.0997 -0.0079 332 SER B C 5685 O O . SER B 315 ? 0.3954 0.2267 0.5603 0.0125 0.0954 -0.0149 332 SER B O 5686 C CB . SER B 315 ? 0.3792 0.2029 0.5320 -0.0060 0.0951 -0.0194 332 SER B CB 5687 O OG . SER B 315 ? 0.4688 0.2969 0.6132 -0.0097 0.0900 -0.0127 332 SER B OG 5688 N N . ASN B 316 ? 0.4601 0.2611 0.6577 0.0151 0.1131 -0.0053 333 ASN B N 5689 C CA . ASN B 316 ? 0.4442 0.2350 0.6615 0.0193 0.1253 -0.0130 333 ASN B CA 5690 C C . ASN B 316 ? 0.4333 0.2365 0.6552 0.0309 0.1194 -0.0018 333 ASN B C 5691 O O . ASN B 316 ? 0.5494 0.3542 0.7762 0.0316 0.1249 -0.0130 333 ASN B O 5692 C CB . ASN B 316 ? 0.5075 0.2960 0.7163 0.0072 0.1321 -0.0400 333 ASN B CB 5693 C CG . ASN B 316 ? 0.6033 0.3807 0.8107 -0.0053 0.1378 -0.0525 333 ASN B CG 5694 O OD1 . ASN B 316 ? 0.7064 0.4661 0.9331 -0.0044 0.1475 -0.0468 333 ASN B OD1 5695 N ND2 . ASN B 316 ? 0.6657 0.4541 0.8516 -0.0173 0.1317 -0.0689 333 ASN B ND2 5696 N N . LYS B 317 ? 0.4277 0.2402 0.6484 0.0394 0.1085 0.0202 334 LYS B N 5697 C CA . LYS B 317 ? 0.4495 0.2761 0.6763 0.0503 0.1005 0.0340 334 LYS B CA 5698 C C . LYS B 317 ? 0.3858 0.2301 0.5953 0.0468 0.0923 0.0230 334 LYS B C 5699 O O . LYS B 317 ? 0.4484 0.3028 0.6677 0.0540 0.0897 0.0284 334 LYS B O 5700 C CB . LYS B 317 ? 0.5611 0.3764 0.8219 0.0606 0.1130 0.0405 334 LYS B CB 5701 C CG . LYS B 317 ? 0.7713 0.5707 1.0524 0.0672 0.1197 0.0580 334 LYS B CG 5702 C CD . LYS B 317 ? 0.9600 0.7730 1.2341 0.0748 0.1046 0.0839 334 LYS B CD 5703 C CE . LYS B 317 ? 1.0532 0.8567 1.3571 0.0875 0.1104 0.1068 334 LYS B CE 5704 N NZ . LYS B 317 ? 1.1188 0.8953 1.4399 0.0853 0.1277 0.1042 334 LYS B NZ 5705 N N . ALA B 318 ? 0.3512 0.2000 0.5364 0.0359 0.0881 0.0090 335 ALA B N 5706 C CA . ALA B 318 ? 0.3472 0.2124 0.5137 0.0322 0.0796 0.0009 335 ALA B CA 5707 C C . ALA B 318 ? 0.3590 0.2397 0.5085 0.0342 0.0632 0.0140 335 ALA B C 5708 O O . ALA B 318 ? 0.3365 0.2153 0.4841 0.0366 0.0587 0.0270 335 ALA B O 5709 C CB . ALA B 318 ? 0.3635 0.2270 0.5131 0.0200 0.0829 -0.0195 335 ALA B CB 5710 N N . SER B 319 ? 0.3017 0.1969 0.4390 0.0330 0.0554 0.0104 336 SER B N 5711 C CA . SER B 319 ? 0.2944 0.2037 0.4151 0.0335 0.0409 0.0193 336 SER B CA 5712 C C . SER B 319 ? 0.2881 0.2066 0.3899 0.0265 0.0367 0.0073 336 SER B C 5713 O O . SER B 319 ? 0.3121 0.2297 0.4155 0.0233 0.0436 -0.0047 336 SER B O 5714 C CB . SER B 319 ? 0.3290 0.2484 0.4620 0.0423 0.0347 0.0328 336 SER B CB 5715 O OG . SER B 319 ? 0.3840 0.2970 0.5345 0.0499 0.0370 0.0471 336 SER B OG 5716 N N . ALA B 320 ? 0.2771 0.2039 0.3608 0.0241 0.0261 0.0109 337 ALA B N 5717 C CA . ALA B 320 ? 0.2654 0.2023 0.3337 0.0196 0.0205 0.0041 337 ALA B CA 5718 C C . ALA B 320 ? 0.2796 0.2273 0.3476 0.0240 0.0111 0.0135 337 ALA B C 5719 O O . ALA B 320 ? 0.2723 0.2217 0.3390 0.0274 0.0048 0.0242 337 ALA B O 5720 C CB . ALA B 320 ? 0.2720 0.2097 0.3226 0.0136 0.0164 0.0005 337 ALA B CB 5721 N N . LEU B 321 ? 0.2291 0.1845 0.2977 0.0232 0.0105 0.0093 338 LEU B N 5722 C CA . LEU B 321 ? 0.2306 0.1971 0.2988 0.0251 0.0015 0.0157 338 LEU B CA 5723 C C . LEU B 321 ? 0.2184 0.1897 0.2700 0.0195 -0.0020 0.0095 338 LEU B C 5724 O O . LEU B 321 ? 0.2259 0.1959 0.2735 0.0158 0.0036 0.0009 338 LEU B O 5725 C CB . LEU B 321 ? 0.2535 0.2255 0.3421 0.0295 0.0049 0.0178 338 LEU B CB 5726 C CG . LEU B 321 ? 0.2515 0.2221 0.3608 0.0371 0.0061 0.0282 338 LEU B CG 5727 C CD1 . LEU B 321 ? 0.2538 0.2295 0.3868 0.0414 0.0126 0.0280 338 LEU B CD1 5728 C CD2 . LEU B 321 ? 0.2852 0.2637 0.3905 0.0397 -0.0065 0.0408 338 LEU B CD2 5729 N N . VAL B 322 ? 0.2163 0.1926 0.2579 0.0188 -0.0111 0.0140 339 VAL B N 5730 C CA . VAL B 322 ? 0.1930 0.1733 0.2224 0.0144 -0.0144 0.0097 339 VAL B CA 5731 C C . VAL B 322 ? 0.2259 0.2147 0.2605 0.0150 -0.0209 0.0138 339 VAL B C 5732 O O . VAL B 322 ? 0.2110 0.2027 0.2453 0.0167 -0.0279 0.0199 339 VAL B O 5733 C CB . VAL B 322 ? 0.2272 0.2043 0.2403 0.0119 -0.0179 0.0092 339 VAL B CB 5734 C CG1 . VAL B 322 ? 0.1981 0.1787 0.2019 0.0086 -0.0210 0.0066 339 VAL B CG1 5735 C CG2 . VAL B 322 ? 0.2143 0.1853 0.2243 0.0100 -0.0121 0.0045 339 VAL B CG2 5736 N N . PHE B 323 ? 0.1972 0.1905 0.2369 0.0131 -0.0183 0.0106 340 PHE B N 5737 C CA . PHE B 323 ? 0.1951 0.1972 0.2418 0.0121 -0.0237 0.0131 340 PHE B CA 5738 C C . PHE B 323 ? 0.1940 0.1942 0.2260 0.0075 -0.0262 0.0100 340 PHE B C 5739 O O . PHE B 323 ? 0.2042 0.2016 0.2300 0.0053 -0.0208 0.0062 340 PHE B O 5740 C CB . PHE B 323 ? 0.1833 0.1907 0.2461 0.0126 -0.0170 0.0117 340 PHE B CB 5741 C CG . PHE B 323 ? 0.2069 0.2140 0.2863 0.0178 -0.0111 0.0134 340 PHE B CG 5742 C CD1 . PHE B 323 ? 0.2550 0.2697 0.3522 0.0223 -0.0158 0.0210 340 PHE B CD1 5743 C CD2 . PHE B 323 ? 0.2231 0.2226 0.3013 0.0180 -0.0005 0.0073 340 PHE B CD2 5744 C CE1 . PHE B 323 ? 0.2861 0.2997 0.4018 0.0282 -0.0093 0.0238 340 PHE B CE1 5745 C CE2 . PHE B 323 ? 0.2422 0.2392 0.3375 0.0228 0.0066 0.0079 340 PHE B CE2 5746 C CZ . PHE B 323 ? 0.2220 0.2255 0.3372 0.0285 0.0026 0.0168 340 PHE B CZ 5747 N N . PHE B 324 ? 0.2030 0.2045 0.2291 0.0059 -0.0339 0.0118 341 PHE B N 5748 C CA . PHE B 324 ? 0.2002 0.1970 0.2129 0.0025 -0.0354 0.0088 341 PHE B CA 5749 C C . PHE B 324 ? 0.1876 0.1888 0.2049 -0.0013 -0.0398 0.0081 341 PHE B C 5750 O O . PHE B 324 ? 0.2078 0.2148 0.2291 -0.0019 -0.0465 0.0098 341 PHE B O 5751 C CB . PHE B 324 ? 0.1929 0.1845 0.1927 0.0035 -0.0385 0.0095 341 PHE B CB 5752 C CG . PHE B 324 ? 0.1837 0.1700 0.1714 0.0009 -0.0392 0.0066 341 PHE B CG 5753 C CD1 . PHE B 324 ? 0.2290 0.2130 0.2068 0.0003 -0.0433 0.0063 341 PHE B CD1 5754 C CD2 . PHE B 324 ? 0.1792 0.1625 0.1652 -0.0004 -0.0351 0.0046 341 PHE B CD2 5755 C CE1 . PHE B 324 ? 0.2822 0.2601 0.2505 -0.0014 -0.0422 0.0028 341 PHE B CE1 5756 C CE2 . PHE B 324 ? 0.2169 0.1946 0.1949 -0.0016 -0.0349 0.0029 341 PHE B CE2 5757 C CZ . PHE B 324 ? 0.2388 0.2132 0.2089 -0.0020 -0.0378 0.0013 341 PHE B CZ 5758 N N . SER B 325 ? 0.1821 0.1811 0.1990 -0.0043 -0.0361 0.0060 342 SER B N 5759 C CA . SER B 325 ? 0.1729 0.1742 0.1955 -0.0089 -0.0389 0.0047 342 SER B CA 5760 C C . SER B 325 ? 0.2022 0.1953 0.2129 -0.0115 -0.0409 0.0016 342 SER B C 5761 O O . SER B 325 ? 0.2212 0.2070 0.2249 -0.0109 -0.0363 0.0015 342 SER B O 5762 C CB . SER B 325 ? 0.2075 0.2102 0.2387 -0.0109 -0.0322 0.0052 342 SER B CB 5763 O OG . SER B 325 ? 0.2070 0.2102 0.2446 -0.0162 -0.0343 0.0037 342 SER B OG 5764 N N A CYS B 326 ? 0.2010 0.1961 0.2103 -0.0146 -0.0478 -0.0009 343 CYS B N 5765 N N B CYS B 326 ? 0.2213 0.2160 0.2299 -0.0145 -0.0477 -0.0010 343 CYS B N 5766 C CA A CYS B 326 ? 0.2303 0.2172 0.2298 -0.0182 -0.0487 -0.0059 343 CYS B CA 5767 C CA B CYS B 326 ? 0.2542 0.2400 0.2533 -0.0181 -0.0480 -0.0060 343 CYS B CA 5768 C C A CYS B 326 ? 0.2103 0.1952 0.2194 -0.0241 -0.0471 -0.0090 343 CYS B C 5769 C C B CYS B 326 ? 0.2868 0.2728 0.2965 -0.0246 -0.0480 -0.0093 343 CYS B C 5770 O O A CYS B 326 ? 0.2684 0.2445 0.2723 -0.0278 -0.0463 -0.0143 343 CYS B O 5771 O O B CYS B 326 ? 0.2693 0.2497 0.2747 -0.0296 -0.0498 -0.0154 343 CYS B O 5772 C CB A CYS B 326 ? 0.1743 0.1644 0.1647 -0.0199 -0.0566 -0.0084 343 CYS B CB 5773 C CB B CYS B 326 ? 0.3752 0.3607 0.3615 -0.0188 -0.0539 -0.0088 343 CYS B CB 5774 S SG A CYS B 326 ? 0.3257 0.3163 0.3053 -0.0132 -0.0572 -0.0034 343 CYS B SG 5775 S SG B CYS B 326 ? 0.3393 0.3191 0.3115 -0.0124 -0.0505 -0.0060 343 CYS B SG 5776 N N . ARG B 327 ? 0.2081 0.2002 0.2323 -0.0250 -0.0450 -0.0059 344 ARG B N 5777 C CA . ARG B 327 ? 0.2209 0.2118 0.2569 -0.0311 -0.0425 -0.0077 344 ARG B CA 5778 C C . ARG B 327 ? 0.2401 0.2181 0.2714 -0.0303 -0.0343 -0.0062 344 ARG B C 5779 O O . ARG B 327 ? 0.2260 0.2004 0.2484 -0.0248 -0.0305 -0.0024 344 ARG B O 5780 C CB . ARG B 327 ? 0.2194 0.2214 0.2729 -0.0315 -0.0403 -0.0036 344 ARG B CB 5781 C CG . ARG B 327 ? 0.2031 0.2198 0.2662 -0.0306 -0.0477 -0.0026 344 ARG B CG 5782 C CD . ARG B 327 ? 0.2292 0.2567 0.3132 -0.0309 -0.0434 0.0010 344 ARG B CD 5783 N NE . ARG B 327 ? 0.1973 0.2266 0.2952 -0.0386 -0.0420 -0.0011 344 ARG B NE 5784 C CZ . ARG B 327 ? 0.2486 0.2887 0.3604 -0.0449 -0.0500 -0.0040 344 ARG B CZ 5785 N NH1 . ARG B 327 ? 0.2602 0.3111 0.3722 -0.0437 -0.0608 -0.0041 344 ARG B NH1 5786 N NH2 . ARG B 327 ? 0.2889 0.3295 0.4146 -0.0528 -0.0475 -0.0065 344 ARG B NH2 5787 N N . THR B 328 ? 0.2203 0.1922 0.2592 -0.0361 -0.0317 -0.0088 345 THR B N 5788 C CA . THR B 328 ? 0.2142 0.1729 0.2514 -0.0352 -0.0238 -0.0060 345 THR B CA 5789 C C . THR B 328 ? 0.2185 0.1769 0.2709 -0.0397 -0.0177 -0.0022 345 THR B C 5790 O O . THR B 328 ? 0.2135 0.1601 0.2701 -0.0422 -0.0121 -0.0015 345 THR B O 5791 C CB . THR B 328 ? 0.2514 0.1971 0.2819 -0.0373 -0.0237 -0.0129 345 THR B CB 5792 O OG1 . THR B 328 ? 0.2777 0.2247 0.3142 -0.0457 -0.0284 -0.0217 345 THR B OG1 5793 C CG2 . THR B 328 ? 0.3083 0.2530 0.3227 -0.0317 -0.0266 -0.0145 345 THR B CG2 5794 N N . ASP B 329 ? 0.2155 0.1865 0.2773 -0.0402 -0.0177 0.0008 346 ASP B N 5795 C CA . ASP B 329 ? 0.2172 0.1899 0.2943 -0.0447 -0.0110 0.0048 346 ASP B CA 5796 C C . ASP B 329 ? 0.2302 0.2075 0.3051 -0.0403 -0.0036 0.0135 346 ASP B C 5797 O O . ASP B 329 ? 0.2828 0.2527 0.3543 -0.0393 0.0036 0.0203 346 ASP B O 5798 C CB . ASP B 329 ? 0.1975 0.1810 0.2926 -0.0521 -0.0158 -0.0004 346 ASP B CB 5799 C CG . ASP B 329 ? 0.2350 0.2353 0.3342 -0.0492 -0.0221 -0.0006 346 ASP B CG 5800 O OD1 . ASP B 329 ? 0.2064 0.2079 0.2925 -0.0423 -0.0246 0.0004 346 ASP B OD1 5801 O OD2 . ASP B 329 ? 0.2846 0.2971 0.4028 -0.0541 -0.0245 -0.0018 346 ASP B OD2 5802 N N . MET B 330 ? 0.1936 0.1831 0.2702 -0.0376 -0.0050 0.0134 347 MET B N 5803 C CA . MET B 330 ? 0.2294 0.2241 0.3046 -0.0350 0.0031 0.0192 347 MET B CA 5804 C C . MET B 330 ? 0.1997 0.2041 0.2730 -0.0304 0.0007 0.0168 347 MET B C 5805 O O . MET B 330 ? 0.2084 0.2160 0.2830 -0.0291 -0.0075 0.0124 347 MET B O 5806 C CB . MET B 330 ? 0.2684 0.2674 0.3614 -0.0406 0.0105 0.0222 347 MET B CB 5807 C CG . MET B 330 ? 0.2431 0.2545 0.3570 -0.0443 0.0064 0.0176 347 MET B CG 5808 S SD . MET B 330 ? 0.2499 0.2662 0.3885 -0.0524 0.0153 0.0209 347 MET B SD 5809 C CE . MET B 330 ? 0.3716 0.4061 0.5327 -0.0546 0.0058 0.0149 347 MET B CE 5810 N N . PRO B 331 ? 0.2173 0.2254 0.2860 -0.0278 0.0084 0.0196 348 PRO B N 5811 C CA . PRO B 331 ? 0.2170 0.2320 0.2858 -0.0235 0.0078 0.0164 348 PRO B CA 5812 C C . PRO B 331 ? 0.1853 0.2106 0.2759 -0.0244 0.0040 0.0141 348 PRO B C 5813 O O . PRO B 331 ? 0.2029 0.2336 0.3107 -0.0291 0.0058 0.0151 348 PRO B O 5814 C CB . PRO B 331 ? 0.2448 0.2623 0.3081 -0.0229 0.0191 0.0185 348 PRO B CB 5815 C CG . PRO B 331 ? 0.2383 0.2485 0.2884 -0.0249 0.0223 0.0242 348 PRO B CG 5816 C CD . PRO B 331 ? 0.2154 0.2212 0.2770 -0.0288 0.0183 0.0257 348 PRO B CD 5817 N N . TYR B 332 ? 0.2080 0.2366 0.2990 -0.0200 -0.0015 0.0117 349 TYR B N 5818 C CA . TYR B 332 ? 0.2207 0.2605 0.3318 -0.0195 -0.0071 0.0114 349 TYR B CA 5819 C C . TYR B 332 ? 0.2170 0.2623 0.3362 -0.0138 -0.0015 0.0116 349 TYR B C 5820 O O . TYR B 332 ? 0.1858 0.2246 0.2912 -0.0097 0.0000 0.0101 349 TYR B O 5821 C CB . TYR B 332 ? 0.2341 0.2726 0.3391 -0.0194 -0.0199 0.0100 349 TYR B CB 5822 C CG . TYR B 332 ? 0.1831 0.2354 0.3077 -0.0199 -0.0284 0.0110 349 TYR B CG 5823 C CD1 . TYR B 332 ? 0.2274 0.2869 0.3653 -0.0269 -0.0337 0.0098 349 TYR B CD1 5824 C CD2 . TYR B 332 ? 0.2304 0.2891 0.3615 -0.0137 -0.0314 0.0137 349 TYR B CD2 5825 C CE1 . TYR B 332 ? 0.2434 0.3188 0.4000 -0.0280 -0.0432 0.0113 349 TYR B CE1 5826 C CE2 . TYR B 332 ? 0.2425 0.3163 0.3929 -0.0135 -0.0404 0.0168 349 TYR B CE2 5827 C CZ . TYR B 332 ? 0.2682 0.3514 0.4307 -0.0208 -0.0469 0.0156 349 TYR B CZ 5828 O OH . TYR B 332 ? 0.3414 0.4422 0.5232 -0.0212 -0.0573 0.0190 349 TYR B OH 5829 N N . ARG B 333 ? 0.2236 0.2810 0.3674 -0.0137 0.0017 0.0131 350 ARG B N 5830 C CA . ARG B 333 ? 0.2557 0.3185 0.4128 -0.0076 0.0080 0.0133 350 ARG B CA 5831 C C . ARG B 333 ? 0.2439 0.3137 0.4126 -0.0033 -0.0033 0.0163 350 ARG B C 5832 O O . ARG B 333 ? 0.2610 0.3440 0.4501 -0.0049 -0.0107 0.0195 350 ARG B O 5833 C CB . ARG B 333 ? 0.2836 0.3571 0.4647 -0.0087 0.0182 0.0144 350 ARG B CB 5834 C CG . ARG B 333 ? 0.3776 0.4458 0.5483 -0.0121 0.0319 0.0127 350 ARG B CG 5835 C CD . ARG B 333 ? 0.5529 0.6341 0.7519 -0.0140 0.0412 0.0146 350 ARG B CD 5836 N NE . ARG B 333 ? 0.7962 0.8749 0.9902 -0.0136 0.0587 0.0124 350 ARG B NE 5837 C CZ . ARG B 333 ? 0.9882 1.0600 1.1627 -0.0183 0.0664 0.0127 350 ARG B CZ 5838 N NH1 . ARG B 333 ? 1.1046 1.1701 1.2652 -0.0230 0.0587 0.0157 350 ARG B NH1 5839 N NH2 . ARG B 333 ? 0.9897 1.0608 1.1581 -0.0182 0.0824 0.0104 350 ARG B NH2 5840 N N . TYR B 334 ? 0.2292 0.2909 0.3847 0.0015 -0.0051 0.0159 351 TYR B N 5841 C CA . TYR B 334 ? 0.2311 0.2974 0.3930 0.0058 -0.0157 0.0204 351 TYR B CA 5842 C C . TYR B 334 ? 0.2262 0.2980 0.4109 0.0131 -0.0087 0.0234 351 TYR B C 5843 O O . TYR B 334 ? 0.2261 0.2886 0.4059 0.0164 0.0024 0.0197 351 TYR B O 5844 C CB . TYR B 334 ? 0.2236 0.2771 0.3598 0.0070 -0.0202 0.0191 351 TYR B CB 5845 C CG . TYR B 334 ? 0.2415 0.2986 0.3812 0.0115 -0.0300 0.0249 351 TYR B CG 5846 C CD1 . TYR B 334 ? 0.2385 0.3072 0.3845 0.0093 -0.0429 0.0291 351 TYR B CD1 5847 C CD2 . TYR B 334 ? 0.2579 0.3071 0.3943 0.0174 -0.0262 0.0265 351 TYR B CD2 5848 C CE1 . TYR B 334 ? 0.3145 0.3878 0.4611 0.0134 -0.0525 0.0361 351 TYR B CE1 5849 C CE2 . TYR B 334 ? 0.2728 0.3249 0.4120 0.0219 -0.0346 0.0340 351 TYR B CE2 5850 C CZ . TYR B 334 ? 0.2782 0.3429 0.4217 0.0201 -0.0479 0.0394 351 TYR B CZ 5851 O OH . TYR B 334 ? 0.3664 0.4353 0.5104 0.0244 -0.0567 0.0481 351 TYR B OH 5852 N N . HIS B 335 ? 0.2553 0.3430 0.4659 0.0153 -0.0154 0.0298 352 HIS B N 5853 C CA . HIS B 335 ? 0.2681 0.3636 0.5071 0.0232 -0.0093 0.0346 352 HIS B CA 5854 C C . HIS B 335 ? 0.2871 0.3835 0.5277 0.0296 -0.0193 0.0426 352 HIS B C 5855 O O . HIS B 335 ? 0.3144 0.4197 0.5521 0.0275 -0.0346 0.0478 352 HIS B O 5856 C CB . HIS B 335 ? 0.2934 0.4092 0.5644 0.0219 -0.0109 0.0386 352 HIS B CB 5857 C CG . HIS B 335 ? 0.3763 0.4924 0.6467 0.0147 -0.0018 0.0326 352 HIS B CG 5858 N ND1 . HIS B 335 ? 0.5131 0.6225 0.7847 0.0159 0.0162 0.0274 352 HIS B ND1 5859 C CD2 . HIS B 335 ? 0.4130 0.5348 0.6814 0.0060 -0.0076 0.0311 352 HIS B CD2 5860 C CE1 . HIS B 335 ? 0.4581 0.5697 0.7280 0.0086 0.0209 0.0245 352 HIS B CE1 5861 N NE2 . HIS B 335 ? 0.3677 0.4861 0.6370 0.0026 0.0069 0.0267 352 HIS B NE2 5862 N N . SER B 336 ? 0.2826 0.3692 0.5268 0.0368 -0.0103 0.0433 353 SER B N 5863 C CA . SER B 336 ? 0.2885 0.3746 0.5359 0.0434 -0.0179 0.0526 353 SER B CA 5864 C C . SER B 336 ? 0.2751 0.3555 0.5445 0.0526 -0.0048 0.0551 353 SER B C 5865 O O . SER B 336 ? 0.2880 0.3683 0.5736 0.0540 0.0091 0.0497 353 SER B O 5866 C CB . SER B 336 ? 0.3355 0.4068 0.5486 0.0402 -0.0231 0.0498 353 SER B CB 5867 O OG . SER B 336 ? 0.3889 0.4619 0.6024 0.0452 -0.0326 0.0603 353 SER B OG 5868 N N . SER B 337 ? 0.2975 0.3726 0.5679 0.0589 -0.0086 0.0633 354 SER B N 5869 C CA . SER B 337 ? 0.2826 0.3475 0.5719 0.0676 0.0048 0.0652 354 SER B CA 5870 C C . SER B 337 ? 0.2755 0.3280 0.5497 0.0702 0.0002 0.0710 354 SER B C 5871 O O . SER B 337 ? 0.3063 0.3637 0.5629 0.0675 -0.0146 0.0772 354 SER B O 5872 C CB . SER B 337 ? 0.3006 0.3822 0.6320 0.0766 0.0053 0.0767 354 SER B CB 5873 O OG . SER B 337 ? 0.3220 0.4171 0.6599 0.0805 -0.0119 0.0927 354 SER B OG 5874 N N . LEU B 338 ? 0.2978 0.3336 0.5785 0.0750 0.0138 0.0687 355 LEU B N 5875 C CA . LEU B 338 ? 0.3221 0.3446 0.5895 0.0769 0.0114 0.0740 355 LEU B CA 5876 C C . LEU B 338 ? 0.3681 0.4025 0.6497 0.0844 -0.0016 0.0940 355 LEU B C 5877 O O . LEU B 338 ? 0.3322 0.3640 0.5934 0.0829 -0.0114 0.1006 355 LEU B O 5878 C CB . LEU B 338 ? 0.3172 0.3188 0.5917 0.0796 0.0297 0.0663 355 LEU B CB 5879 C CG . LEU B 338 ? 0.3042 0.2937 0.5560 0.0705 0.0400 0.0466 355 LEU B CG 5880 C CD1 . LEU B 338 ? 0.3001 0.2696 0.5602 0.0724 0.0575 0.0384 355 LEU B CD1 5881 C CD2 . LEU B 338 ? 0.3211 0.3083 0.5363 0.0616 0.0295 0.0422 355 LEU B CD2 5882 N N . GLY B 339 ? 0.3371 0.3867 0.6529 0.0920 -0.0023 0.1040 356 GLY B N 5883 C CA . GLY B 339 ? 0.3691 0.4345 0.7003 0.0993 -0.0166 0.1247 356 GLY B CA 5884 C C . GLY B 339 ? 0.3554 0.4370 0.6627 0.0922 -0.0372 0.1287 356 GLY B C 5885 O O . GLY B 339 ? 0.4377 0.5242 0.7365 0.0945 -0.0494 0.1425 356 GLY B O 5886 N N . GLN B 340 ? 0.3194 0.4081 0.6147 0.0830 -0.0403 0.1163 357 GLN B N 5887 C CA . GLN B 340 ? 0.3263 0.4267 0.5965 0.0745 -0.0576 0.1158 357 GLN B CA 5888 C C . GLN B 340 ? 0.3367 0.4201 0.5677 0.0686 -0.0589 0.1098 357 GLN B C 5889 O O . GLN B 340 ? 0.3772 0.4675 0.5857 0.0627 -0.0722 0.1106 357 GLN B O 5890 C CB . GLN B 340 ? 0.3376 0.4480 0.6092 0.0663 -0.0583 0.1040 357 GLN B CB 5891 C CG . GLN B 340 ? 0.4282 0.5607 0.7386 0.0704 -0.0603 0.1108 357 GLN B CG 5892 C CD . GLN B 340 ? 0.5514 0.6900 0.8652 0.0623 -0.0563 0.0983 357 GLN B CD 5893 O OE1 . GLN B 340 ? 0.7393 0.8901 1.0437 0.0539 -0.0686 0.0958 357 GLN B OE1 5894 N NE2 . GLN B 340 ? 0.4231 0.5526 0.7498 0.0644 -0.0381 0.0902 357 GLN B NE2 5895 N N . LEU B 341 ? 0.3512 0.4130 0.5749 0.0698 -0.0446 0.1030 358 LEU B N 5896 C CA . LEU B 341 ? 0.3237 0.3699 0.5151 0.0652 -0.0443 0.0983 358 LEU B CA 5897 C C . LEU B 341 ? 0.4079 0.4439 0.6024 0.0722 -0.0414 0.1104 358 LEU B C 5898 O O . LEU B 341 ? 0.4147 0.4332 0.5926 0.0701 -0.0341 0.1054 358 LEU B O 5899 C CB . LEU B 341 ? 0.3320 0.3630 0.5106 0.0593 -0.0317 0.0808 358 LEU B CB 5900 C CG . LEU B 341 ? 0.2897 0.3293 0.4642 0.0524 -0.0336 0.0704 358 LEU B CG 5901 C CD1 . LEU B 341 ? 0.3168 0.3430 0.4820 0.0481 -0.0203 0.0558 358 LEU B CD1 5902 C CD2 . LEU B 341 ? 0.3555 0.4020 0.5065 0.0456 -0.0473 0.0698 358 LEU B CD2 5903 N N . ASN B 342 ? 0.4418 0.4896 0.6592 0.0806 -0.0473 0.1273 359 ASN B N 5904 C CA . ASN B 342 ? 0.5604 0.6014 0.7831 0.0883 -0.0467 0.1437 359 ASN B CA 5905 C C . ASN B 342 ? 0.4802 0.4982 0.7156 0.0927 -0.0281 0.1404 359 ASN B C 5906 O O . ASN B 342 ? 0.5115 0.5168 0.7401 0.0951 -0.0250 0.1485 359 ASN B O 5907 C CB . ASN B 342 ? 0.7119 0.7525 0.9006 0.0835 -0.0574 0.1488 359 ASN B CB 5908 C CG . ASN B 342 ? 0.9107 0.9746 1.0885 0.0797 -0.0764 0.1540 359 ASN B CG 5909 O OD1 . ASN B 342 ? 0.9280 1.0067 1.1138 0.0850 -0.0876 0.1719 359 ASN B OD1 5910 N ND2 . ASN B 342 ? 0.9519 1.0194 1.1117 0.0701 -0.0802 0.1386 359 ASN B ND2 5911 N N . PHE B 343 ? 0.4353 0.4475 0.6888 0.0932 -0.0150 0.1282 360 PHE B N 5912 C CA . PHE B 343 ? 0.4471 0.4389 0.7186 0.0980 0.0032 0.1250 360 PHE B CA 5913 C C . PHE B 343 ? 0.5402 0.5379 0.8509 0.1108 0.0056 0.1425 360 PHE B C 5914 O O . PHE B 343 ? 0.4720 0.4900 0.8021 0.1146 -0.0013 0.1485 360 PHE B O 5915 C CB . PHE B 343 ? 0.4776 0.4603 0.7482 0.0922 0.0169 0.1032 360 PHE B CB 5916 C CG . PHE B 343 ? 0.5018 0.4751 0.7374 0.0810 0.0169 0.0880 360 PHE B CG 5917 C CD1 . PHE B 343 ? 0.4986 0.4512 0.7268 0.0778 0.0290 0.0787 360 PHE B CD1 5918 C CD2 . PHE B 343 ? 0.4069 0.3924 0.6189 0.0737 0.0049 0.0833 360 PHE B CD2 5919 C CE1 . PHE B 343 ? 0.4502 0.3970 0.6488 0.0679 0.0279 0.0661 360 PHE B CE1 5920 C CE2 . PHE B 343 ? 0.4138 0.3912 0.5964 0.0647 0.0050 0.0709 360 PHE B CE2 5921 C CZ . PHE B 343 ? 0.4021 0.3614 0.5785 0.0620 0.0161 0.0629 360 PHE B CZ 5922 N N . THR B 344 ? 0.6738 0.6541 0.9975 0.1173 0.0157 0.1509 361 THR B N 5923 C CA . THR B 344 ? 0.7882 0.7719 1.1485 0.1309 0.0174 0.1723 361 THR B CA 5924 C C . THR B 344 ? 0.8342 0.8067 1.2317 0.1379 0.0373 0.1657 361 THR B C 5925 O O . THR B 344 ? 0.8494 0.8003 1.2427 0.1330 0.0540 0.1475 361 THR B O 5926 C CB . THR B 344 ? 0.8323 0.8022 1.1873 0.1349 0.0177 0.1886 361 THR B CB 5927 O OG1 . THR B 344 ? 0.7935 0.7781 1.1193 0.1312 -0.0015 0.1997 361 THR B OG1 5928 C CG2 . THR B 344 ? 0.9305 0.8987 1.3270 0.1499 0.0236 0.2103 361 THR B CG2 5929 N N . GLY B 345 ? 0.9097 0.8975 1.3442 0.1493 0.0353 0.1813 362 GLY B N 5930 C CA . GLY B 345 ? 0.8876 0.8723 1.3608 0.1563 0.0525 0.1751 362 GLY B CA 5931 C C . GLY B 345 ? 0.8364 0.7904 1.3217 0.1572 0.0780 0.1604 362 GLY B C 5932 O O . GLY B 345 ? 0.7840 0.7163 1.2610 0.1565 0.0845 0.1618 362 GLY B O 5933 N N . SER B 346 ? 0.8433 0.7964 1.3483 0.1578 0.0929 0.1454 363 SER B N 5934 C CA . SER B 346 ? 0.9025 0.8301 1.4310 0.1614 0.1192 0.1328 363 SER B CA 5935 C C . SER B 346 ? 0.7719 0.6759 1.2689 0.1479 0.1321 0.1052 363 SER B C 5936 O O . SER B 346 ? 0.8303 0.7166 1.3421 0.1479 0.1539 0.0889 363 SER B O 5937 C CB . SER B 346 ? 0.9555 0.8690 1.5174 0.1747 0.1267 0.1529 363 SER B CB 5938 O OG . SER B 346 ? 1.1092 1.0009 1.6481 0.1694 0.1278 0.1526 363 SER B OG 5939 N N . VAL B 347 ? 0.7680 0.6722 1.2229 0.1363 0.1194 0.0995 364 VAL B N 5940 C CA . VAL B 347 ? 0.6833 0.5691 1.1088 0.1231 0.1295 0.0742 364 VAL B CA 5941 C C . VAL B 347 ? 0.5928 0.4902 1.0038 0.1154 0.1311 0.0557 364 VAL B C 5942 O O . VAL B 347 ? 0.4978 0.4183 0.9010 0.1146 0.1159 0.0622 364 VAL B O 5943 C CB . VAL B 347 ? 0.6972 0.5788 1.0863 0.1143 0.1167 0.0755 364 VAL B CB 5944 C CG1 . VAL B 347 ? 0.5571 0.4229 0.9189 0.1006 0.1260 0.0500 364 VAL B CG1 5945 C CG2 . VAL B 347 ? 0.6839 0.5533 1.0875 0.1219 0.1169 0.0950 364 VAL B CG2 5946 N N . ILE B 348 ? 0.5113 0.3928 0.9204 0.1097 0.1502 0.0333 365 ILE B N 5947 C CA . ILE B 348 ? 0.4496 0.3392 0.8396 0.1008 0.1536 0.0146 365 ILE B CA 5948 C C . ILE B 348 ? 0.4235 0.3058 0.7708 0.0863 0.1491 -0.0010 365 ILE B C 5949 O O . ILE B 348 ? 0.4298 0.2921 0.7709 0.0819 0.1572 -0.0096 365 ILE B O 5950 C CB . ILE B 348 ? 0.4121 0.2903 0.8231 0.1025 0.1784 -0.0018 365 ILE B CB 5951 C CG1 . ILE B 348 ? 0.5658 0.4512 1.0249 0.1179 0.1853 0.0135 365 ILE B CG1 5952 C CG2 . ILE B 348 ? 0.5073 0.3952 0.8942 0.0926 0.1812 -0.0195 365 ILE B CG2 5953 C CD1 . ILE B 348 ? 0.6077 0.4810 1.0906 0.1207 0.2120 -0.0027 365 ILE B CD1 5954 N N . TYR B 349 ? 0.3851 0.2836 0.7052 0.0790 0.1365 -0.0043 366 TYR B N 5955 C CA . TYR B 349 ? 0.3394 0.2352 0.6206 0.0666 0.1289 -0.0151 366 TYR B CA 5956 C C . TYR B 349 ? 0.3532 0.2522 0.6129 0.0569 0.1355 -0.0343 366 TYR B C 5957 O O . TYR B 349 ? 0.3517 0.2595 0.6221 0.0592 0.1424 -0.0372 366 TYR B O 5958 C CB . TYR B 349 ? 0.3525 0.2646 0.6162 0.0658 0.1065 -0.0007 366 TYR B CB 5959 C CG . TYR B 349 ? 0.3495 0.2605 0.6248 0.0733 0.0971 0.0188 366 TYR B CG 5960 C CD1 . TYR B 349 ? 0.4128 0.3127 0.6717 0.0691 0.0932 0.0199 366 TYR B CD1 5961 C CD2 . TYR B 349 ? 0.4151 0.3382 0.7175 0.0844 0.0917 0.0371 366 TYR B CD2 5962 C CE1 . TYR B 349 ? 0.4820 0.3812 0.7494 0.0758 0.0854 0.0389 366 TYR B CE1 5963 C CE2 . TYR B 349 ? 0.4632 0.3868 0.7736 0.0911 0.0824 0.0564 366 TYR B CE2 5964 C CZ . TYR B 349 ? 0.4996 0.4106 0.7912 0.0868 0.0798 0.0573 366 TYR B CZ 5965 O OH . TYR B 349 ? 0.5851 0.4964 0.8826 0.0932 0.0715 0.0773 366 TYR B OH 5966 N N . GLU B 350 ? 0.3285 0.2217 0.5575 0.0460 0.1325 -0.0461 367 GLU B N 5967 C CA . GLU B 350 ? 0.3084 0.2086 0.5089 0.0358 0.1322 -0.0599 367 GLU B CA 5968 C C . GLU B 350 ? 0.3327 0.2414 0.5049 0.0297 0.1138 -0.0550 367 GLU B C 5969 O O . GLU B 350 ? 0.3374 0.2408 0.5076 0.0300 0.1062 -0.0481 367 GLU B O 5970 C CB . GLU B 350 ? 0.3827 0.2676 0.5742 0.0277 0.1482 -0.0813 367 GLU B CB 5971 C CG . GLU B 350 ? 0.4001 0.2916 0.5600 0.0164 0.1488 -0.0961 367 GLU B CG 5972 C CD . GLU B 350 ? 0.5114 0.3889 0.6685 0.0099 0.1684 -0.1180 367 GLU B CD 5973 O OE1 . GLU B 350 ? 0.4285 0.3038 0.6033 0.0147 0.1836 -0.1225 367 GLU B OE1 5974 O OE2 . GLU B 350 ? 0.5500 0.4193 0.6886 0.0000 0.1689 -0.1310 367 GLU B OE2 5975 N N . ALA B 351 ? 0.3087 0.2302 0.4605 0.0244 0.1077 -0.0577 368 ALA B N 5976 C CA . ALA B 351 ? 0.3466 0.2757 0.4734 0.0191 0.0917 -0.0534 368 ALA B CA 5977 C C . ALA B 351 ? 0.3243 0.2559 0.4234 0.0087 0.0934 -0.0670 368 ALA B C 5978 O O . ALA B 351 ? 0.3707 0.3048 0.4672 0.0064 0.1034 -0.0757 368 ALA B O 5979 C CB . ALA B 351 ? 0.3158 0.2597 0.4462 0.0238 0.0790 -0.0388 368 ALA B CB 5980 N N . GLN B 352 ? 0.3045 0.2364 0.3834 0.0025 0.0841 -0.0684 369 GLN B N 5981 C CA . GLN B 352 ? 0.2905 0.2295 0.3426 -0.0064 0.0809 -0.0764 369 GLN B CA 5982 C C . GLN B 352 ? 0.2917 0.2421 0.3318 -0.0059 0.0656 -0.0648 369 GLN B C 5983 O O . GLN B 352 ? 0.2956 0.2451 0.3369 -0.0040 0.0562 -0.0569 369 GLN B O 5984 C CB . GLN B 352 ? 0.2974 0.2296 0.3364 -0.0151 0.0826 -0.0888 369 GLN B CB 5985 C CG . GLN B 352 ? 0.3462 0.2883 0.3573 -0.0246 0.0791 -0.0968 369 GLN B CG 5986 C CD . GLN B 352 ? 0.4428 0.3811 0.4414 -0.0346 0.0802 -0.1105 369 GLN B CD 5987 O OE1 . GLN B 352 ? 0.4661 0.3915 0.4759 -0.0365 0.0900 -0.1204 369 GLN B OE1 5988 N NE2 . GLN B 352 ? 0.4338 0.3838 0.4107 -0.0413 0.0700 -0.1108 369 GLN B NE2 5989 N N . ASP B 353 ? 0.2699 0.2301 0.2986 -0.0080 0.0643 -0.0641 370 ASP B N 5990 C CA . ASP B 353 ? 0.3039 0.2735 0.3209 -0.0083 0.0515 -0.0545 370 ASP B CA 5991 C C . ASP B 353 ? 0.2562 0.2270 0.2538 -0.0148 0.0450 -0.0583 370 ASP B C 5992 O O . ASP B 353 ? 0.3063 0.2792 0.2887 -0.0217 0.0487 -0.0678 370 ASP B O 5993 C CB . ASP B 353 ? 0.3012 0.2794 0.3128 -0.0092 0.0540 -0.0528 370 ASP B CB 5994 C CG . ASP B 353 ? 0.3141 0.2999 0.3170 -0.0092 0.0424 -0.0425 370 ASP B CG 5995 O OD1 . ASP B 353 ? 0.2727 0.2600 0.2607 -0.0125 0.0348 -0.0418 370 ASP B OD1 5996 O OD2 . ASP B 353 ? 0.3083 0.2989 0.3206 -0.0062 0.0417 -0.0357 370 ASP B OD2 5997 N N . VAL B 354 ? 0.2616 0.2324 0.2597 -0.0130 0.0351 -0.0508 371 VAL B N 5998 C CA . VAL B 354 ? 0.2432 0.2156 0.2291 -0.0182 0.0293 -0.0537 371 VAL B CA 5999 C C . VAL B 354 ? 0.2558 0.2388 0.2226 -0.0231 0.0244 -0.0538 371 VAL B C 6000 O O . VAL B 354 ? 0.2920 0.2787 0.2472 -0.0298 0.0233 -0.0609 371 VAL B O 6001 C CB . VAL B 354 ? 0.2631 0.2332 0.2550 -0.0145 0.0214 -0.0450 371 VAL B CB 6002 C CG1 . VAL B 354 ? 0.2611 0.2350 0.2427 -0.0197 0.0157 -0.0471 371 VAL B CG1 6003 C CG2 . VAL B 354 ? 0.2479 0.2072 0.2573 -0.0102 0.0269 -0.0443 371 VAL B CG2 6004 N N . TYR B 355 ? 0.2549 0.2434 0.2194 -0.0202 0.0215 -0.0457 372 TYR B N 6005 C CA . TYR B 355 ? 0.2553 0.2535 0.2030 -0.0239 0.0173 -0.0431 372 TYR B CA 6006 C C . TYR B 355 ? 0.2989 0.3011 0.2349 -0.0286 0.0253 -0.0496 372 TYR B C 6007 O O . TYR B 355 ? 0.3434 0.3532 0.2622 -0.0342 0.0227 -0.0519 372 TYR B O 6008 C CB . TYR B 355 ? 0.2481 0.2490 0.1984 -0.0194 0.0109 -0.0311 372 TYR B CB 6009 C CG . TYR B 355 ? 0.2340 0.2341 0.1870 -0.0170 0.0022 -0.0255 372 TYR B CG 6010 C CD1 . TYR B 355 ? 0.2405 0.2462 0.1848 -0.0202 -0.0031 -0.0257 372 TYR B CD1 6011 C CD2 . TYR B 355 ? 0.2202 0.2152 0.1844 -0.0119 -0.0004 -0.0200 372 TYR B CD2 6012 C CE1 . TYR B 355 ? 0.2382 0.2437 0.1864 -0.0179 -0.0094 -0.0208 372 TYR B CE1 6013 C CE2 . TYR B 355 ? 0.2186 0.2125 0.1836 -0.0101 -0.0066 -0.0158 372 TYR B CE2 6014 C CZ . TYR B 355 ? 0.1769 0.1756 0.1348 -0.0128 -0.0104 -0.0162 372 TYR B CZ 6015 O OH . TYR B 355 ? 0.2077 0.2057 0.1678 -0.0107 -0.0151 -0.0120 372 TYR B OH 6016 N N . SER B 356 ? 0.3222 0.3203 0.2673 -0.0263 0.0349 -0.0522 373 SER B N 6017 C CA . SER B 356 ? 0.3379 0.3394 0.2714 -0.0306 0.0448 -0.0587 373 SER B CA 6018 C C . SER B 356 ? 0.3857 0.3821 0.3155 -0.0357 0.0543 -0.0743 373 SER B C 6019 O O . SER B 356 ? 0.4417 0.4421 0.3543 -0.0419 0.0609 -0.0823 373 SER B O 6020 C CB . SER B 356 ? 0.3919 0.3929 0.3393 -0.0260 0.0522 -0.0542 373 SER B CB 6021 O OG . SER B 356 ? 0.3772 0.3704 0.3459 -0.0215 0.0590 -0.0584 373 SER B OG 6022 N N . GLY B 357 ? 0.3301 0.3169 0.2754 -0.0335 0.0557 -0.0787 374 GLY B N 6023 C CA . GLY B 357 ? 0.4287 0.4073 0.3748 -0.0381 0.0659 -0.0941 374 GLY B CA 6024 C C . GLY B 357 ? 0.3766 0.3481 0.3368 -0.0347 0.0814 -0.1000 374 GLY B C 6025 O O . GLY B 357 ? 0.4221 0.3841 0.3864 -0.0376 0.0926 -0.1136 374 GLY B O 6026 N N . ASP B 358 ? 0.3462 0.3219 0.3159 -0.0287 0.0829 -0.0904 375 ASP B N 6027 C CA . ASP B 358 ? 0.3912 0.3628 0.3777 -0.0247 0.0977 -0.0943 375 ASP B CA 6028 C C . ASP B 358 ? 0.3953 0.3558 0.4099 -0.0179 0.1023 -0.0947 375 ASP B C 6029 O O . ASP B 358 ? 0.3392 0.2980 0.3645 -0.0133 0.0918 -0.0850 375 ASP B O 6030 C CB . ASP B 358 ? 0.4269 0.4075 0.4206 -0.0202 0.0965 -0.0824 375 ASP B CB 6031 C CG . ASP B 358 ? 0.5256 0.5157 0.4940 -0.0264 0.0961 -0.0815 375 ASP B CG 6032 O OD1 . ASP B 358 ? 0.5187 0.5099 0.4627 -0.0342 0.0975 -0.0907 375 ASP B OD1 6033 O OD2 . ASP B 358 ? 0.5745 0.5714 0.5477 -0.0238 0.0943 -0.0711 375 ASP B OD2 6034 N N . ILE B 359 ? 0.4053 0.3579 0.4315 -0.0171 0.1189 -0.1054 376 ILE B N 6035 C CA . ILE B 359 ? 0.3699 0.3110 0.4255 -0.0098 0.1258 -0.1052 376 ILE B CA 6036 C C . ILE B 359 ? 0.3128 0.2587 0.3952 -0.0006 0.1317 -0.0962 376 ILE B C 6037 O O . ILE B 359 ? 0.3289 0.2797 0.4099 -0.0018 0.1424 -0.1008 376 ILE B O 6038 C CB . ILE B 359 ? 0.3811 0.3080 0.4369 -0.0146 0.1423 -0.1241 376 ILE B CB 6039 C CG1 . ILE B 359 ? 0.5451 0.4690 0.5760 -0.0252 0.1358 -0.1342 376 ILE B CG1 6040 C CG2 . ILE B 359 ? 0.4019 0.3156 0.4918 -0.0057 0.1511 -0.1220 376 ILE B CG2 6041 C CD1 . ILE B 359 ? 0.4685 0.3888 0.5067 -0.0230 0.1228 -0.1250 376 ILE B CD1 6042 N N . ILE B 360 ? 0.3488 0.2941 0.4556 0.0080 0.1246 -0.0832 377 ILE B N 6043 C CA . ILE B 360 ? 0.3240 0.2753 0.4615 0.0174 0.1284 -0.0734 377 ILE B CA 6044 C C . ILE B 360 ? 0.3319 0.2709 0.4983 0.0248 0.1388 -0.0742 377 ILE B C 6045 O O . ILE B 360 ? 0.3567 0.2886 0.5285 0.0276 0.1314 -0.0681 377 ILE B O 6046 C CB . ILE B 360 ? 0.3419 0.3053 0.4848 0.0216 0.1101 -0.0558 377 ILE B CB 6047 C CG1 . ILE B 360 ? 0.4118 0.3845 0.5271 0.0143 0.1003 -0.0548 377 ILE B CG1 6048 C CG2 . ILE B 360 ? 0.3864 0.3595 0.5622 0.0302 0.1126 -0.0458 377 ILE B CG2 6049 C CD1 . ILE B 360 ? 0.4927 0.4619 0.5837 0.0093 0.0877 -0.0546 377 ILE B CD1 6050 N N . SER B 361 ? 0.3229 0.2584 0.5081 0.0281 0.1570 -0.0816 378 SER B N 6051 C CA . SER B 361 ? 0.3362 0.2576 0.5501 0.0352 0.1699 -0.0839 378 SER B CA 6052 C C . SER B 361 ? 0.4434 0.3736 0.6971 0.0478 0.1710 -0.0687 378 SER B C 6053 O O . SER B 361 ? 0.5164 0.4631 0.7757 0.0494 0.1671 -0.0617 378 SER B O 6054 C CB . SER B 361 ? 0.4759 0.3841 0.6845 0.0299 0.1921 -0.1054 378 SER B CB 6055 O OG . SER B 361 ? 0.5394 0.4307 0.7763 0.0364 0.2059 -0.1087 378 SER B OG 6056 N N . GLY B 362 ? 0.3996 0.3195 0.6816 0.0566 0.1755 -0.0625 379 GLY B N 6057 C CA . GLY B 362 ? 0.5089 0.4367 0.8332 0.0696 0.1786 -0.0482 379 GLY B CA 6058 C C . GLY B 362 ? 0.4412 0.3875 0.7743 0.0750 0.1567 -0.0263 379 GLY B C 6059 O O . GLY B 362 ? 0.4687 0.4309 0.8294 0.0822 0.1554 -0.0156 379 GLY B O 6060 N N . LEU B 363 ? 0.3659 0.3107 0.6763 0.0711 0.1397 -0.0203 380 LEU B N 6061 C CA . LEU B 363 ? 0.3447 0.3052 0.6586 0.0750 0.1187 -0.0011 380 LEU B CA 6062 C C . LEU B 363 ? 0.3796 0.3369 0.7231 0.0864 0.1165 0.0149 380 LEU B C 6063 O O . LEU B 363 ? 0.3879 0.3293 0.7255 0.0865 0.1176 0.0153 380 LEU B O 6064 C CB . LEU B 363 ? 0.3747 0.3348 0.6507 0.0660 0.1031 -0.0022 380 LEU B CB 6065 C CG . LEU B 363 ? 0.3821 0.3485 0.6291 0.0558 0.1010 -0.0131 380 LEU B CG 6066 C CD1 . LEU B 363 ? 0.3952 0.3577 0.6085 0.0481 0.0885 -0.0147 380 LEU B CD1 6067 C CD2 . LEU B 363 ? 0.4809 0.4677 0.7380 0.0570 0.0935 -0.0050 380 LEU B CD2 6068 N N . ARG B 364 ? 0.3782 0.3514 0.7549 0.0958 0.1139 0.0288 381 ARG B N 6069 C CA . ARG B 364 ? 0.3568 0.3334 0.7610 0.1071 0.1068 0.0491 381 ARG B CA 6070 C C . ARG B 364 ? 0.3730 0.3698 0.7649 0.1056 0.0820 0.0639 381 ARG B C 6071 O O . ARG B 364 ? 0.3734 0.3815 0.7440 0.0972 0.0734 0.0580 381 ARG B O 6072 C CB . ARG B 364 ? 0.4596 0.4431 0.9110 0.1189 0.1190 0.0559 381 ARG B CB 6073 C CG . ARG B 364 ? 0.6183 0.5843 1.0801 0.1186 0.1458 0.0369 381 ARG B CG 6074 C CD . ARG B 364 ? 0.6825 0.6600 1.1895 0.1289 0.1583 0.0415 381 ARG B CD 6075 N NE . ARG B 364 ? 0.8719 0.8409 1.4191 0.1428 0.1670 0.0543 381 ARG B NE 6076 C CZ . ARG B 364 ? 1.0050 0.9498 1.5677 0.1465 0.1904 0.0434 381 ARG B CZ 6077 N NH1 . ARG B 364 ? 1.0543 0.9817 1.5934 0.1365 0.2074 0.0179 381 ARG B NH1 6078 N NH2 . ARG B 364 ? 1.0451 0.9830 1.6474 0.1602 0.1970 0.0581 381 ARG B NH2 6079 N N . ASP B 365 ? 0.3636 0.3647 0.7683 0.1134 0.0711 0.0831 382 ASP B N 6080 C CA . ASP B 365 ? 0.3838 0.4042 0.7754 0.1115 0.0476 0.0967 382 ASP B CA 6081 C C . ASP B 365 ? 0.3219 0.3680 0.7263 0.1102 0.0391 0.0988 382 ASP B C 6082 O O . ASP B 365 ? 0.3382 0.3966 0.7200 0.1025 0.0234 0.0988 382 ASP B O 6083 C CB . ASP B 365 ? 0.4302 0.4539 0.8387 0.1216 0.0385 0.1191 382 ASP B CB 6084 C CG . ASP B 365 ? 0.5755 0.5773 0.9623 0.1201 0.0405 0.1199 382 ASP B CG 6085 O OD1 . ASP B 365 ? 0.6570 0.6594 1.0559 0.1282 0.0347 0.1389 382 ASP B OD1 6086 O OD2 . ASP B 365 ? 0.5251 0.5106 0.8842 0.1109 0.0474 0.1028 382 ASP B OD2 6087 N N . GLU B 366 ? 0.3460 0.3996 0.7878 0.1173 0.0507 0.0999 383 GLU B N 6088 C CA . GLU B 366 ? 0.3969 0.4770 0.8583 0.1168 0.0435 0.1037 383 GLU B CA 6089 C C . GLU B 366 ? 0.3570 0.4366 0.8024 0.1066 0.0520 0.0852 383 GLU B C 6090 O O . GLU B 366 ? 0.3587 0.4591 0.8148 0.1035 0.0454 0.0868 383 GLU B O 6091 C CB . GLU B 366 ? 0.3628 0.4551 0.8769 0.1298 0.0518 0.1154 383 GLU B CB 6092 C CG . GLU B 366 ? 0.6513 0.7332 1.1883 0.1424 0.0561 0.1297 383 GLU B CG 6093 C CD . GLU B 366 ? 0.7432 0.7952 1.2823 0.1447 0.0815 0.1157 383 GLU B CD 6094 O OE1 . GLU B 366 ? 0.8201 0.8701 1.3840 0.1478 0.1006 0.1062 383 GLU B OE1 6095 O OE2 . GLU B 366 ? 0.4906 0.5213 1.0063 0.1426 0.0826 0.1133 383 GLU B OE2 6096 N N . THR B 367 ? 0.3699 0.4273 0.7903 0.1009 0.0664 0.0681 384 THR B N 6097 C CA . THR B 367 ? 0.3514 0.4091 0.7608 0.0928 0.0772 0.0523 384 THR B CA 6098 C C . THR B 367 ? 0.3045 0.3683 0.6794 0.0813 0.0628 0.0484 384 THR B C 6099 O O . THR B 367 ? 0.3085 0.3616 0.6506 0.0760 0.0544 0.0458 384 THR B O 6100 C CB . THR B 367 ? 0.5008 0.5362 0.9029 0.0913 0.1010 0.0348 384 THR B CB 6101 O OG1 . THR B 367 ? 0.5483 0.5750 0.9093 0.0795 0.1013 0.0206 384 THR B OG1 6102 C CG2 . THR B 367 ? 0.3106 0.3269 0.7196 0.0979 0.1084 0.0362 384 THR B CG2 6103 N N . ASN B 368 ? 0.3171 0.3990 0.7032 0.0779 0.0603 0.0488 385 ASN B N 6104 C CA . ASN B 368 ? 0.3385 0.4267 0.6981 0.0674 0.0484 0.0455 385 ASN B CA 6105 C C . ASN B 368 ? 0.3861 0.4571 0.7114 0.0593 0.0590 0.0301 385 ASN B C 6106 O O . ASN B 368 ? 0.3632 0.4266 0.6925 0.0596 0.0775 0.0205 385 ASN B O 6107 C CB . ASN B 368 ? 0.3354 0.4462 0.7201 0.0655 0.0460 0.0492 385 ASN B CB 6108 C CG . ASN B 368 ? 0.4495 0.5820 0.8627 0.0708 0.0293 0.0652 385 ASN B CG 6109 O OD1 . ASN B 368 ? 0.3635 0.4948 0.7678 0.0735 0.0155 0.0737 385 ASN B OD1 6110 N ND2 . ASN B 368 ? 0.7035 0.8573 1.1512 0.0720 0.0304 0.0697 385 ASN B ND2 6111 N N . PHE B 369 ? 0.2899 0.3548 0.5813 0.0522 0.0476 0.0278 386 PHE B N 6112 C CA . PHE B 369 ? 0.2755 0.3282 0.5350 0.0441 0.0546 0.0156 386 PHE B CA 6113 C C . PHE B 369 ? 0.2792 0.3384 0.5193 0.0360 0.0420 0.0166 386 PHE B C 6114 O O . PHE B 369 ? 0.2522 0.3221 0.4984 0.0359 0.0270 0.0249 386 PHE B O 6115 C CB . PHE B 369 ? 0.3257 0.3595 0.5626 0.0440 0.0573 0.0097 386 PHE B CB 6116 C CG . PHE B 369 ? 0.2902 0.3216 0.5131 0.0441 0.0412 0.0169 386 PHE B CG 6117 C CD1 . PHE B 369 ? 0.2917 0.3228 0.4871 0.0370 0.0303 0.0156 386 PHE B CD1 6118 C CD2 . PHE B 369 ? 0.2767 0.3050 0.5137 0.0516 0.0381 0.0253 386 PHE B CD2 6119 C CE1 . PHE B 369 ? 0.3059 0.3343 0.4880 0.0371 0.0174 0.0213 386 PHE B CE1 6120 C CE2 . PHE B 369 ? 0.2792 0.3053 0.5015 0.0514 0.0247 0.0321 386 PHE B CE2 6121 C CZ . PHE B 369 ? 0.2746 0.3007 0.4689 0.0440 0.0147 0.0294 386 PHE B CZ 6122 N N . THR B 370 ? 0.2876 0.3406 0.5052 0.0291 0.0487 0.0081 387 THR B N 6123 C CA . THR B 370 ? 0.2866 0.3424 0.4855 0.0216 0.0393 0.0087 387 THR B CA 6124 C C . THR B 370 ? 0.3083 0.3500 0.4731 0.0172 0.0404 0.0021 387 THR B C 6125 O O . THR B 370 ? 0.2984 0.3321 0.4536 0.0166 0.0526 -0.0055 387 THR B O 6126 C CB . THR B 370 ? 0.2994 0.3649 0.5093 0.0174 0.0469 0.0079 387 THR B CB 6127 O OG1 . THR B 370 ? 0.2980 0.3794 0.5430 0.0211 0.0450 0.0145 387 THR B OG1 6128 C CG2 . THR B 370 ? 0.3510 0.4166 0.5425 0.0096 0.0388 0.0087 387 THR B CG2 6129 N N . VAL B 371 ? 0.2857 0.3249 0.4327 0.0140 0.0276 0.0045 388 VAL B N 6130 C CA . VAL B 371 ? 0.2393 0.2683 0.3566 0.0096 0.0276 -0.0002 388 VAL B CA 6131 C C . VAL B 371 ? 0.2537 0.2857 0.3616 0.0040 0.0215 0.0022 388 VAL B C 6132 O O . VAL B 371 ? 0.2396 0.2783 0.3581 0.0033 0.0126 0.0068 388 VAL B O 6133 C CB . VAL B 371 ? 0.2523 0.2723 0.3561 0.0115 0.0206 -0.0003 388 VAL B CB 6134 C CG1 . VAL B 371 ? 0.2574 0.2717 0.3711 0.0164 0.0290 -0.0034 388 VAL B CG1 6135 C CG2 . VAL B 371 ? 0.2638 0.2877 0.3710 0.0129 0.0066 0.0067 388 VAL B CG2 6136 N N . ILE B 372 ? 0.2351 0.2622 0.3239 0.0000 0.0266 -0.0007 389 ILE B N 6137 C CA . ILE B 372 ? 0.2194 0.2471 0.2999 -0.0049 0.0231 0.0023 389 ILE B CA 6138 C C . ILE B 372 ? 0.1993 0.2191 0.2591 -0.0056 0.0147 0.0025 389 ILE B C 6139 O O . ILE B 372 ? 0.2165 0.2310 0.2598 -0.0056 0.0173 -0.0004 389 ILE B O 6140 C CB . ILE B 372 ? 0.2873 0.3156 0.3603 -0.0084 0.0345 0.0013 389 ILE B CB 6141 C CG1 . ILE B 372 ? 0.4043 0.4407 0.4992 -0.0075 0.0452 0.0004 389 ILE B CG1 6142 C CG2 . ILE B 372 ? 0.3273 0.3546 0.3935 -0.0129 0.0312 0.0064 389 ILE B CG2 6143 C CD1 . ILE B 372 ? 0.4933 0.5312 0.5809 -0.0114 0.0580 0.0000 389 ILE B CD1 6144 N N . ILE B 373 ? 0.2044 0.2241 0.2660 -0.0065 0.0049 0.0055 390 ILE B N 6145 C CA . ILE B 373 ? 0.1894 0.2018 0.2347 -0.0065 -0.0024 0.0057 390 ILE B CA 6146 C C . ILE B 373 ? 0.1743 0.1839 0.2143 -0.0104 -0.0042 0.0082 390 ILE B C 6147 O O . ILE B 373 ? 0.1823 0.1951 0.2344 -0.0133 -0.0060 0.0094 390 ILE B O 6148 C CB . ILE B 373 ? 0.1811 0.1941 0.2310 -0.0042 -0.0118 0.0064 390 ILE B CB 6149 C CG1 . ILE B 373 ? 0.1882 0.2056 0.2515 0.0001 -0.0101 0.0066 390 ILE B CG1 6150 C CG2 . ILE B 373 ? 0.1860 0.1911 0.2185 -0.0035 -0.0165 0.0057 390 ILE B CG2 6151 C CD1 . ILE B 373 ? 0.2242 0.2453 0.2944 0.0024 -0.0197 0.0100 390 ILE B CD1 6152 N N . ASN B 374 ? 0.2146 0.2183 0.2385 -0.0107 -0.0035 0.0091 391 ASN B N 6153 C CA . ASN B 374 ? 0.1921 0.1913 0.2124 -0.0132 -0.0040 0.0127 391 ASN B CA 6154 C C . ASN B 374 ? 0.1726 0.1663 0.1911 -0.0131 -0.0116 0.0115 391 ASN B C 6155 O O . ASN B 374 ? 0.1998 0.1927 0.2139 -0.0105 -0.0163 0.0090 391 ASN B O 6156 C CB . ASN B 374 ? 0.1877 0.1850 0.1934 -0.0130 0.0000 0.0159 391 ASN B CB 6157 C CG . ASN B 374 ? 0.2487 0.2514 0.2533 -0.0145 0.0085 0.0167 391 ASN B CG 6158 O OD1 . ASN B 374 ? 0.2591 0.2655 0.2766 -0.0163 0.0131 0.0166 391 ASN B OD1 6159 N ND2 . ASN B 374 ? 0.2398 0.2438 0.2290 -0.0143 0.0109 0.0171 391 ASN B ND2 6160 N N . PRO B 375 ? 0.1795 0.1684 0.2013 -0.0160 -0.0119 0.0131 392 PRO B N 6161 C CA . PRO B 375 ? 0.1713 0.1539 0.1910 -0.0167 -0.0177 0.0101 392 PRO B CA 6162 C C . PRO B 375 ? 0.2005 0.1777 0.2068 -0.0128 -0.0191 0.0103 392 PRO B C 6163 O O . PRO B 375 ? 0.2288 0.2048 0.2288 -0.0108 -0.0157 0.0145 392 PRO B O 6164 C CB . PRO B 375 ? 0.2527 0.2290 0.2791 -0.0209 -0.0146 0.0117 392 PRO B CB 6165 C CG . PRO B 375 ? 0.2634 0.2449 0.2982 -0.0230 -0.0086 0.0156 392 PRO B CG 6166 C CD . PRO B 375 ? 0.2119 0.2002 0.2404 -0.0195 -0.0057 0.0172 392 PRO B CD 6167 N N . SER B 376 ? 0.2079 0.1832 0.2102 -0.0119 -0.0242 0.0063 393 SER B N 6168 C CA . SER B 376 ? 0.1826 0.1543 0.1743 -0.0083 -0.0253 0.0060 393 SER B CA 6169 C C . SER B 376 ? 0.1928 0.1696 0.1804 -0.0055 -0.0236 0.0080 393 SER B C 6170 O O . SER B 376 ? 0.2450 0.2205 0.2260 -0.0033 -0.0229 0.0095 393 SER B O 6171 C CB . SER B 376 ? 0.2472 0.2103 0.2360 -0.0076 -0.0229 0.0072 393 SER B CB 6172 O OG . SER B 376 ? 0.2807 0.2432 0.2720 -0.0071 -0.0185 0.0132 393 SER B OG 6173 N N . GLY B 377 ? 0.1962 0.1790 0.1889 -0.0059 -0.0227 0.0075 394 GLY B N 6174 C CA . GLY B 377 ? 0.1977 0.1843 0.1872 -0.0045 -0.0196 0.0074 394 GLY B CA 6175 C C . GLY B 377 ? 0.2059 0.1954 0.2007 -0.0030 -0.0203 0.0050 394 GLY B C 6176 O O . GLY B 377 ? 0.1820 0.1724 0.1830 -0.0027 -0.0242 0.0050 394 GLY B O 6177 N N . VAL B 378 ? 0.1802 0.1710 0.1728 -0.0022 -0.0165 0.0032 395 VAL B N 6178 C CA . VAL B 378 ? 0.1683 0.1598 0.1679 -0.0002 -0.0153 0.0013 395 VAL B CA 6179 C C . VAL B 378 ? 0.1870 0.1811 0.1909 -0.0008 -0.0077 -0.0017 395 VAL B C 6180 O O . VAL B 378 ? 0.2067 0.2024 0.2031 -0.0033 -0.0038 -0.0030 395 VAL B O 6181 C CB . VAL B 378 ? 0.1581 0.1456 0.1517 0.0011 -0.0167 0.0002 395 VAL B CB 6182 C CG1 . VAL B 378 ? 0.1864 0.1712 0.1753 0.0020 -0.0225 0.0027 395 VAL B CG1 6183 C CG2 . VAL B 378 ? 0.1953 0.1831 0.1795 -0.0010 -0.0137 -0.0026 395 VAL B CG2 6184 N N . VAL B 379 ? 0.1976 0.1921 0.2132 0.0017 -0.0055 -0.0025 396 VAL B N 6185 C CA . VAL B 379 ? 0.1854 0.1791 0.2056 0.0020 0.0030 -0.0074 396 VAL B CA 6186 C C . VAL B 379 ? 0.2103 0.1985 0.2340 0.0047 0.0023 -0.0078 396 VAL B C 6187 O O . VAL B 379 ? 0.2274 0.2156 0.2581 0.0080 -0.0030 -0.0024 396 VAL B O 6188 C CB . VAL B 379 ? 0.1894 0.1881 0.2262 0.0035 0.0085 -0.0068 396 VAL B CB 6189 C CG1 . VAL B 379 ? 0.2274 0.2232 0.2718 0.0049 0.0187 -0.0126 396 VAL B CG1 6190 C CG2 . VAL B 379 ? 0.2001 0.2036 0.2335 0.0000 0.0106 -0.0060 396 VAL B CG2 6191 N N . MET B 380 ? 0.2087 0.1924 0.2265 0.0027 0.0076 -0.0139 397 MET B N 6192 C CA . MET B 380 ? 0.1970 0.1738 0.2191 0.0045 0.0085 -0.0145 397 MET B CA 6193 C C . MET B 380 ? 0.2368 0.2087 0.2682 0.0046 0.0191 -0.0214 397 MET B C 6194 O O . MET B 380 ? 0.2427 0.2153 0.2666 0.0003 0.0252 -0.0295 397 MET B O 6195 C CB . MET B 380 ? 0.2101 0.1848 0.2188 0.0011 0.0051 -0.0165 397 MET B CB 6196 C CG . MET B 380 ? 0.2155 0.1830 0.2293 0.0023 0.0064 -0.0162 397 MET B CG 6197 S SD . MET B 380 ? 0.2450 0.2130 0.2457 -0.0022 0.0025 -0.0183 397 MET B SD 6198 C CE . MET B 380 ? 0.2680 0.2267 0.2780 0.0000 0.0048 -0.0149 397 MET B CE 6199 N N . TRP B 381 ? 0.2317 0.1986 0.2789 0.0095 0.0216 -0.0180 398 TRP B N 6200 C CA . TRP B 381 ? 0.2453 0.2047 0.3052 0.0106 0.0331 -0.0243 398 TRP B CA 6201 C C . TRP B 381 ? 0.2627 0.2117 0.3253 0.0105 0.0353 -0.0252 398 TRP B C 6202 O O . TRP B 381 ? 0.2659 0.2136 0.3306 0.0137 0.0288 -0.0160 398 TRP B O 6203 C CB . TRP B 381 ? 0.2493 0.2110 0.3322 0.0178 0.0362 -0.0178 398 TRP B CB 6204 C CG . TRP B 381 ? 0.2386 0.2089 0.3261 0.0177 0.0395 -0.0193 398 TRP B CG 6205 C CD1 . TRP B 381 ? 0.2347 0.2102 0.3065 0.0122 0.0398 -0.0244 398 TRP B CD1 6206 C CD2 . TRP B 381 ? 0.2592 0.2349 0.3704 0.0237 0.0430 -0.0141 398 TRP B CD2 6207 N NE1 . TRP B 381 ? 0.2775 0.2602 0.3612 0.0138 0.0446 -0.0235 398 TRP B NE1 6208 C CE2 . TRP B 381 ? 0.2797 0.2634 0.3885 0.0208 0.0464 -0.0175 398 TRP B CE2 6209 C CE3 . TRP B 381 ? 0.2790 0.2545 0.4146 0.0315 0.0438 -0.0058 398 TRP B CE3 6210 C CZ2 . TRP B 381 ? 0.3102 0.3020 0.4416 0.0250 0.0511 -0.0140 398 TRP B CZ2 6211 C CZ3 . TRP B 381 ? 0.2838 0.2683 0.4424 0.0363 0.0474 -0.0017 398 TRP B CZ3 6212 C CH2 . TRP B 381 ? 0.3099 0.3028 0.4668 0.0327 0.0511 -0.0064 398 TRP B CH2 6213 N N . TYR B 382 ? 0.2723 0.2133 0.3358 0.0065 0.0455 -0.0366 399 TYR B N 6214 C CA . TYR B 382 ? 0.2664 0.1948 0.3398 0.0069 0.0513 -0.0382 399 TYR B CA 6215 C C . TYR B 382 ? 0.3111 0.2327 0.4077 0.0130 0.0625 -0.0383 399 TYR B C 6216 O O . TYR B 382 ? 0.2850 0.2056 0.3831 0.0108 0.0721 -0.0487 399 TYR B O 6217 C CB . TYR B 382 ? 0.2788 0.2028 0.3398 -0.0025 0.0556 -0.0523 399 TYR B CB 6218 C CG . TYR B 382 ? 0.2796 0.1890 0.3525 -0.0040 0.0640 -0.0570 399 TYR B CG 6219 C CD1 . TYR B 382 ? 0.3157 0.2202 0.3944 -0.0015 0.0599 -0.0471 399 TYR B CD1 6220 C CD2 . TYR B 382 ? 0.3366 0.2365 0.4143 -0.0087 0.0769 -0.0719 399 TYR B CD2 6221 C CE1 . TYR B 382 ? 0.3266 0.2165 0.4180 -0.0033 0.0687 -0.0505 399 TYR B CE1 6222 C CE2 . TYR B 382 ? 0.3861 0.2708 0.4766 -0.0109 0.0857 -0.0771 399 TYR B CE2 6223 C CZ . TYR B 382 ? 0.3878 0.2674 0.4858 -0.0082 0.0814 -0.0657 399 TYR B CZ 6224 O OH . TYR B 382 ? 0.4013 0.2646 0.5136 -0.0106 0.0911 -0.0700 399 TYR B OH 6225 N N . LEU B 383 ? 0.2873 0.2049 0.4016 0.0208 0.0614 -0.0259 400 LEU B N 6226 C CA . LEU B 383 ? 0.3115 0.2258 0.4518 0.0291 0.0696 -0.0211 400 LEU B CA 6227 C C . LEU B 383 ? 0.3196 0.2169 0.4767 0.0314 0.0798 -0.0212 400 LEU B C 6228 O O . LEU B 383 ? 0.3426 0.2349 0.4974 0.0317 0.0749 -0.0133 400 LEU B O 6229 C CB . LEU B 383 ? 0.3559 0.2820 0.5048 0.0369 0.0581 -0.0036 400 LEU B CB 6230 C CG . LEU B 383 ? 0.4211 0.3497 0.5998 0.0467 0.0630 0.0052 400 LEU B CG 6231 C CD1 . LEU B 383 ? 0.3133 0.2513 0.4964 0.0460 0.0677 -0.0018 400 LEU B CD1 6232 C CD2 . LEU B 383 ? 0.3921 0.3306 0.5773 0.0534 0.0496 0.0242 400 LEU B CD2 6233 N N . TYR B 384 ? 0.3180 0.2055 0.4927 0.0331 0.0950 -0.0299 401 TYR B N 6234 C CA . TYR B 384 ? 0.3735 0.2422 0.5663 0.0349 0.1069 -0.0314 401 TYR B CA 6235 C C . TYR B 384 ? 0.3946 0.2563 0.6187 0.0439 0.1210 -0.0302 401 TYR B C 6236 O O . TYR B 384 ? 0.3720 0.2401 0.5995 0.0445 0.1269 -0.0376 401 TYR B O 6237 C CB . TYR B 384 ? 0.3942 0.2517 0.5720 0.0228 0.1146 -0.0513 401 TYR B CB 6238 C CG . TYR B 384 ? 0.3959 0.2591 0.5576 0.0152 0.1193 -0.0691 401 TYR B CG 6239 C CD1 . TYR B 384 ? 0.3820 0.2353 0.5557 0.0147 0.1367 -0.0831 401 TYR B CD1 6240 C CD2 . TYR B 384 ? 0.4123 0.2908 0.5469 0.0088 0.1073 -0.0713 401 TYR B CD2 6241 C CE1 . TYR B 384 ? 0.4126 0.2718 0.5685 0.0072 0.1417 -0.0992 401 TYR B CE1 6242 C CE2 . TYR B 384 ? 0.4073 0.2918 0.5257 0.0021 0.1115 -0.0854 401 TYR B CE2 6243 C CZ . TYR B 384 ? 0.4204 0.2957 0.5480 0.0009 0.1285 -0.0994 401 TYR B CZ 6244 O OH . TYR B 384 ? 0.4634 0.3454 0.5720 -0.0062 0.1330 -0.1131 401 TYR B OH 6245 N N . PRO B 385 ? 0.4111 0.2595 0.6597 0.0513 0.1274 -0.0200 402 PRO B N 6246 C CA . PRO B 385 ? 0.4282 0.2685 0.7096 0.0601 0.1429 -0.0198 402 PRO B CA 6247 C C . PRO B 385 ? 0.4927 0.3203 0.7720 0.0524 0.1611 -0.0449 402 PRO B C 6248 O O . PRO B 385 ? 0.4824 0.2982 0.7455 0.0416 0.1654 -0.0600 402 PRO B O 6249 C CB . PRO B 385 ? 0.4530 0.2780 0.7578 0.0677 0.1470 -0.0050 402 PRO B CB 6250 C CG . PRO B 385 ? 0.4436 0.2767 0.7290 0.0660 0.1294 0.0089 402 PRO B CG 6251 C CD . PRO B 385 ? 0.4676 0.3083 0.7175 0.0529 0.1219 -0.0067 402 PRO B CD 6252 N N . ILE B 386 ? 0.4637 0.2947 0.7592 0.0574 0.1718 -0.0496 403 ILE B N 6253 C CA . ILE B 386 ? 0.6449 0.4640 0.9385 0.0506 0.1911 -0.0739 403 ILE B CA 6254 C C . ILE B 386 ? 0.7991 0.5927 1.1227 0.0549 0.2111 -0.0789 403 ILE B C 6255 O O . ILE B 386 ? 0.9296 0.7127 1.2667 0.0550 0.2309 -0.0943 403 ILE B O 6256 C CB . ILE B 386 ? 0.6622 0.4954 0.9604 0.0538 0.1964 -0.0776 403 ILE B CB 6257 C CG1 . ILE B 386 ? 0.7441 0.5724 1.0191 0.0416 0.2093 -0.1042 403 ILE B CG1 6258 C CG2 . ILE B 386 ? 0.8210 0.6512 1.1636 0.0686 0.2086 -0.0666 403 ILE B CG2 6259 C CD1 . ILE B 386 ? 0.8050 0.6485 1.0791 0.0431 0.2141 -0.1075 403 ILE B CD1 6260 N N . LYS B 387 ? 0.7610 0.5443 1.0959 0.0585 0.2069 -0.0653 404 LYS B N 6261 C CA . LYS B 387 ? 0.9253 0.6812 1.2827 0.0590 0.2247 -0.0715 404 LYS B CA 6262 C C . LYS B 387 ? 0.9346 0.6795 1.2689 0.0453 0.2211 -0.0818 404 LYS B C 6263 O O . LYS B 387 ? 0.9527 0.6740 1.2998 0.0412 0.2365 -0.0931 404 LYS B O 6264 C CB . LYS B 387 ? 0.9898 0.7407 1.3847 0.0753 0.2253 -0.0450 404 LYS B CB 6265 C CG . LYS B 387 ? 1.1387 0.8910 1.5698 0.0888 0.2382 -0.0397 404 LYS B CG 6266 C CD . LYS B 387 ? 1.2405 0.9956 1.7063 0.1057 0.2331 -0.0088 404 LYS B CD 6267 C CE . LYS B 387 ? 1.2681 1.0263 1.7741 0.1197 0.2461 -0.0031 404 LYS B CE 6268 N NZ . LYS B 387 ? 1.2779 1.0447 1.8172 0.1365 0.2377 0.0294 404 LYS B NZ 6724 O O . HOH KA . ? 0.2005 0.2308 0.2126 -0.0151 -0.0121 0.0328 601 HOH A O 6725 O O . HOH KA . ? 0.2148 0.1804 0.2046 -0.0236 -0.0209 -0.0095 602 HOH A O 6726 O O . HOH KA . ? 0.1659 0.2877 0.1949 -0.0068 -0.0148 -0.0125 603 HOH A O 6727 O O . HOH KA . ? 0.2254 0.3044 0.1981 -0.0050 0.0031 -0.0090 604 HOH A O 6728 O O . HOH KA . ? 0.1942 0.1716 0.1474 -0.0059 0.0054 -0.0219 605 HOH A O 6729 O O . HOH KA . ? 0.1957 0.2453 0.1948 -0.0266 -0.0132 -0.0238 606 HOH A O 6730 O O . HOH KA . ? 0.1891 0.1722 0.1609 -0.0095 -0.0039 0.0253 607 HOH A O 6731 O O . HOH KA . ? 0.1992 0.1821 0.1429 -0.0043 -0.0099 -0.0122 608 HOH A O 6732 O O . HOH KA . ? 0.2040 0.1844 0.1539 -0.0042 0.0042 -0.0152 609 HOH A O 6733 O O . HOH KA . ? 0.2429 0.1828 0.3145 0.0128 0.0480 -0.0009 610 HOH A O 6734 O O . HOH KA . ? 0.1889 0.1766 0.1515 -0.0085 -0.0067 -0.0108 611 HOH A O 6735 O O . HOH KA . ? 0.2293 0.2089 0.1976 -0.0132 -0.0170 -0.0011 612 HOH A O 6736 O O . HOH KA . ? 0.2237 0.2654 0.2674 0.0023 -0.0279 0.0444 613 HOH A O 6737 O O . HOH KA . ? 0.2111 0.1902 0.1761 -0.0050 -0.0027 -0.0052 614 HOH A O 6738 O O . HOH KA . ? 0.2032 0.1845 0.1477 -0.0028 -0.0122 -0.0077 615 HOH A O 6739 O O . HOH KA . ? 0.2018 0.1952 0.1594 -0.0095 -0.0165 -0.0036 616 HOH A O 6740 O O . HOH KA . ? 0.1990 0.1776 0.1608 -0.0066 -0.0034 -0.0112 617 HOH A O 6741 O O . HOH KA . ? 0.2415 0.2242 0.2972 0.0093 0.0205 0.0460 618 HOH A O 6742 O O . HOH KA . ? 0.2706 0.3748 0.2151 -0.0173 -0.0223 0.0294 619 HOH A O 6743 O O . HOH KA . ? 0.2177 0.1879 0.1773 -0.0060 -0.0168 -0.0081 620 HOH A O 6744 O O . HOH KA . ? 0.1977 0.1783 0.1504 -0.0063 -0.0065 -0.0146 621 HOH A O 6745 O O . HOH KA . ? 0.1753 0.1557 0.1621 -0.0166 -0.0097 0.0198 622 HOH A O 6746 O O . HOH KA . ? 0.2322 0.2244 0.1831 0.0006 -0.0163 -0.0173 623 HOH A O 6747 O O . HOH KA . ? 0.2186 0.1774 0.2367 0.0024 0.0243 -0.0025 624 HOH A O 6748 O O . HOH KA . ? 0.2099 0.2728 0.1958 0.0066 -0.0074 -0.0214 625 HOH A O 6749 O O . HOH KA . ? 0.2062 0.1897 0.1762 -0.0041 -0.0034 0.0023 626 HOH A O 6750 O O . HOH KA . ? 0.2265 0.2033 0.3195 0.0202 0.0343 0.0545 627 HOH A O 6751 O O . HOH KA . ? 0.2059 0.2271 0.2882 -0.0015 0.0162 0.0659 628 HOH A O 6752 O O . HOH KA . ? 0.3069 0.3637 0.2862 -0.0057 -0.0048 -0.0141 629 HOH A O 6753 O O . HOH KA . ? 0.2250 0.2062 0.1837 -0.0123 -0.0205 -0.0240 630 HOH A O 6754 O O . HOH KA . ? 0.2331 0.3179 0.2387 -0.0106 -0.0078 -0.0137 631 HOH A O 6755 O O . HOH KA . ? 0.2047 0.2940 0.1870 0.0102 0.0065 -0.0273 632 HOH A O 6756 O O . HOH KA . ? 0.2247 0.2883 0.2206 -0.0239 -0.0301 0.0277 633 HOH A O 6757 O O . HOH KA . ? 0.2458 0.3173 0.2421 -0.0191 -0.0286 0.0369 634 HOH A O 6758 O O . HOH KA . ? 0.3033 0.2976 0.3409 -0.0069 0.0130 0.0467 635 HOH A O 6759 O O . HOH KA . ? 0.3228 0.3688 0.2946 -0.0437 -0.0395 -0.0277 636 HOH A O 6760 O O . HOH KA . ? 0.1749 0.1516 0.1516 -0.0120 -0.0086 0.0191 637 HOH A O 6761 O O . HOH KA . ? 0.3244 0.2926 0.2997 -0.0316 0.0247 -0.0953 638 HOH A O 6762 O O . HOH KA . ? 0.2480 0.2143 0.2859 -0.0265 0.0153 -0.0074 639 HOH A O 6763 O O . HOH KA . ? 0.2541 0.2433 0.1939 -0.0033 -0.0025 -0.0001 640 HOH A O 6764 O O . HOH KA . ? 0.2150 0.2641 0.2478 -0.0171 -0.0113 0.0440 641 HOH A O 6765 O O . HOH KA . ? 0.2427 0.2142 0.2149 -0.0098 0.0038 -0.0203 642 HOH A O 6766 O O . HOH KA . ? 0.3088 0.3209 0.2865 -0.0338 -0.0312 -0.0188 643 HOH A O 6767 O O . HOH KA . ? 0.2149 0.2132 0.1667 -0.0005 -0.0149 -0.0189 644 HOH A O 6768 O O . HOH KA . ? 0.1939 0.2199 0.1568 -0.0167 -0.0191 -0.0298 645 HOH A O 6769 O O . HOH KA . ? 0.2662 0.2406 0.3145 -0.0288 0.0161 0.0040 646 HOH A O 6770 O O . HOH KA . ? 0.2646 0.2630 0.2202 -0.0178 -0.0235 -0.0247 647 HOH A O 6771 O O . HOH KA . ? 0.2335 0.2793 0.2525 -0.0528 -0.0147 -0.0501 648 HOH A O 6772 O O . HOH KA . ? 0.2665 0.2603 0.2000 -0.0028 -0.0077 -0.0017 649 HOH A O 6773 O O . HOH KA . ? 0.3491 0.3456 0.2835 -0.0034 0.0024 -0.0030 650 HOH A O 6774 O O . HOH KA . ? 0.3786 0.3542 0.3780 0.0105 0.0634 -0.0517 651 HOH A O 6775 O O . HOH KA . ? 0.2431 0.2902 0.2013 0.0012 -0.0042 -0.0236 652 HOH A O 6776 O O . HOH KA . ? 0.2386 0.2732 0.2530 -0.0567 -0.0132 -0.0623 653 HOH A O 6777 O O . HOH KA . ? 0.4019 0.3285 0.4291 -0.0228 0.0562 -0.1096 654 HOH A O 6778 O O . HOH KA . ? 0.2661 0.2219 0.3148 -0.0322 0.0190 -0.0211 655 HOH A O 6779 O O . HOH KA . ? 0.4111 0.4420 0.6501 0.1016 0.0375 0.1830 656 HOH A O 6780 O O . HOH KA . ? 0.2702 0.2699 0.3230 -0.0509 0.0065 -0.0276 657 HOH A O 6781 O O . HOH KA . ? 0.2386 0.2990 0.2251 -0.0303 -0.0342 0.0136 658 HOH A O 6782 O O . HOH KA . ? 0.3630 0.2820 0.4456 -0.0142 0.0413 -0.0177 659 HOH A O 6783 O O . HOH KA . ? 0.2135 0.2652 0.1511 -0.0213 -0.0261 -0.0204 660 HOH A O 6784 O O . HOH KA . ? 0.2368 0.2060 0.2114 -0.0102 -0.0114 0.0154 661 HOH A O 6785 O O . HOH KA . ? 0.3566 0.3555 0.2853 -0.0114 0.0108 -0.0443 662 HOH A O 6786 O O . HOH KA . ? 0.2045 0.1919 0.1449 -0.0015 -0.0142 -0.0065 663 HOH A O 6787 O O . HOH KA . ? 0.2251 0.1927 0.2236 0.0016 0.0179 -0.0033 664 HOH A O 6788 O O . HOH KA . ? 0.2281 0.2970 0.2135 -0.0157 0.0048 0.0162 665 HOH A O 6789 O O . HOH KA . ? 0.2583 0.3317 0.4764 0.0630 0.0424 0.1137 666 HOH A O 6790 O O . HOH KA . ? 0.3046 0.2784 0.2679 0.0045 -0.0160 -0.0246 667 HOH A O 6791 O O . HOH KA . ? 0.3153 0.3165 0.3178 -0.0338 -0.0247 0.0039 668 HOH A O 6792 O O . HOH KA . ? 0.2273 0.2275 0.2378 -0.0130 0.0065 0.0256 669 HOH A O 6793 O O . HOH KA . ? 0.2463 0.3421 0.2195 0.0012 0.0077 -0.0172 670 HOH A O 6794 O O . HOH KA . ? 0.3005 0.2977 0.2721 0.0161 -0.0209 -0.0028 671 HOH A O 6795 O O . HOH KA . ? 0.2602 0.3397 0.2421 -0.0156 0.0058 0.0341 672 HOH A O 6796 O O . HOH KA . ? 0.3476 0.3309 0.3303 0.0195 -0.0171 -0.0090 673 HOH A O 6797 O O . HOH KA . ? 0.2110 0.2046 0.1829 -0.0184 -0.0210 -0.0023 674 HOH A O 6798 O O . HOH KA . ? 0.3290 0.2852 0.3148 -0.0247 0.0515 -0.1213 675 HOH A O 6799 O O . HOH KA . ? 0.2758 0.2534 0.2378 -0.0120 -0.0003 -0.0268 676 HOH A O 6800 O O . HOH KA . ? 0.2538 0.3665 0.1858 -0.0061 0.0046 -0.0166 677 HOH A O 6801 O O . HOH KA . ? 0.2209 0.2017 0.1862 -0.0086 -0.0035 -0.0123 678 HOH A O 6802 O O . HOH KA . ? 0.3292 0.2954 0.3498 0.0108 0.0394 -0.0099 679 HOH A O 6803 O O . HOH KA . ? 0.3103 0.3200 0.2326 -0.0210 0.0241 -0.0841 680 HOH A O 6804 O O . HOH KA . ? 0.2951 0.3485 0.2209 -0.0149 -0.0165 -0.0472 681 HOH A O 6805 O O . HOH KA . ? 0.3270 0.2955 0.3000 -0.0338 0.0506 -0.1430 682 HOH A O 6806 O O . HOH KA . ? 0.2562 0.2712 0.2753 -0.0175 0.0088 0.0347 683 HOH A O 6807 O O . HOH KA . ? 0.3445 0.3495 0.2820 -0.0017 0.0191 -0.0100 684 HOH A O 6808 O O . HOH KA . ? 0.2990 0.2579 0.3824 0.0244 0.0545 0.0121 685 HOH A O 6809 O O . HOH KA . ? 0.3475 0.2839 0.4081 0.0162 0.0769 -0.0549 686 HOH A O 6810 O O . HOH KA . ? 0.3425 0.3073 0.3254 0.0073 -0.0073 -0.0616 687 HOH A O 6811 O O . HOH KA . ? 0.3623 0.2972 0.4706 -0.0113 0.0389 0.0298 688 HOH A O 6812 O O . HOH KA . ? 0.4309 0.3728 0.4360 -0.0187 0.0529 -0.1045 689 HOH A O 6813 O O . HOH KA . ? 0.3150 0.2611 0.3869 -0.0316 0.0260 -0.0105 690 HOH A O 6814 O O . HOH KA . ? 0.2553 0.2576 0.2188 -0.0241 -0.0267 -0.0228 691 HOH A O 6815 O O . HOH KA . ? 0.3426 0.4062 0.3296 0.0224 0.0045 -0.0401 692 HOH A O 6816 O O . HOH KA . ? 0.3281 0.3742 0.3675 -0.0608 -0.0111 -0.0491 693 HOH A O 6817 O O . HOH KA . ? 0.2670 0.3468 0.2610 -0.0084 -0.0007 -0.0098 694 HOH A O 6818 O O . HOH KA . ? 0.2562 0.2268 0.3545 0.0096 0.0313 0.0657 695 HOH A O 6819 O O . HOH KA . ? 0.2967 0.2784 0.2587 0.0091 -0.0191 -0.0043 696 HOH A O 6820 O O . HOH KA . ? 0.3334 0.3270 0.3171 -0.0257 -0.0236 -0.0033 697 HOH A O 6821 O O . HOH KA . ? 0.3601 0.3864 0.3790 -0.0383 -0.0261 0.0165 698 HOH A O 6822 O O . HOH KA . ? 0.3277 0.4026 0.5294 -0.0054 0.0414 0.0965 699 HOH A O 6823 O O . HOH KA . ? 0.3321 0.3960 0.3005 0.0007 -0.0321 -0.0107 700 HOH A O 6824 O O . HOH KA . ? 0.4098 0.3425 0.5105 0.0139 0.0506 0.0151 701 HOH A O 6825 O O . HOH KA . ? 0.2319 0.3697 0.2840 -0.0331 -0.0180 -0.0150 702 HOH A O 6826 O O . HOH KA . ? 0.2812 0.2917 0.3030 -0.0141 0.0092 0.0403 703 HOH A O 6827 O O . HOH KA . ? 0.3329 0.3409 0.3144 -0.0260 -0.0255 -0.0010 704 HOH A O 6828 O O . HOH KA . ? 0.3306 0.4053 0.2542 -0.0076 -0.0064 -0.0429 705 HOH A O 6829 O O . HOH KA . ? 0.7183 0.8552 0.9525 0.0947 -0.0476 0.2254 706 HOH A O 6830 O O . HOH KA . ? 0.2989 0.3798 0.3194 -0.0013 -0.0137 0.0820 707 HOH A O 6831 O O . HOH KA . ? 0.4357 0.5244 0.4319 -0.0009 -0.0283 -0.0140 708 HOH A O 6832 O O . HOH KA . ? 0.3647 0.3300 0.3332 0.0021 -0.0160 -0.0267 709 HOH A O 6833 O O . HOH KA . ? 0.3255 0.2415 0.4138 -0.0278 0.0399 -0.0333 710 HOH A O 6834 O O . HOH KA . ? 0.2925 0.2917 0.2498 0.0059 -0.0101 -0.0443 711 HOH A O 6835 O O . HOH KA . ? 0.3960 0.5070 0.3742 -0.0186 -0.0323 0.0501 712 HOH A O 6836 O O . HOH KA . ? 0.3437 0.2752 0.3771 -0.0013 0.0633 -0.0765 713 HOH A O 6837 O O . HOH KA . ? 0.2824 0.3511 0.2026 -0.0134 -0.0125 -0.0517 714 HOH A O 6838 O O . HOH KA . ? 0.4736 0.5546 0.4492 -0.0319 -0.0329 -0.0408 715 HOH A O 6839 O O . HOH KA . ? 0.4372 0.4470 0.4992 0.0426 0.0102 0.1282 716 HOH A O 6840 O O . HOH KA . ? 0.2970 0.3046 0.3139 -0.0081 0.0067 0.0426 717 HOH A O 6841 O O . HOH KA . ? 0.3694 0.4553 0.3773 -0.0270 -0.0342 0.0370 718 HOH A O 6842 O O . HOH KA . ? 0.3048 0.3496 0.3873 -0.0110 -0.0297 0.0432 719 HOH A O 6843 O O . HOH KA . ? 0.3155 0.2998 0.3588 -0.0590 0.0062 -0.0654 720 HOH A O 6844 O O . HOH KA . ? 0.4170 0.4868 0.6316 -0.0263 0.0122 0.0855 721 HOH A O 6845 O O . HOH KA . ? 0.2632 0.3020 0.3121 -0.0036 -0.0302 0.0386 722 HOH A O 6846 O O . HOH KA . ? 0.5901 0.6037 0.6933 0.0486 0.0884 0.0650 723 HOH A O 6847 O O . HOH KA . ? 0.3861 0.4286 0.3870 -0.0143 0.0047 0.0441 724 HOH A O 6848 O O . HOH KA . ? 0.4100 0.3271 0.4986 0.0052 0.0551 -0.0179 725 HOH A O 6849 O O . HOH KA . ? 0.3704 0.3436 0.3641 -0.0521 0.0184 -0.1164 726 HOH A O 6850 O O . HOH KA . ? 0.3789 0.4300 0.2965 -0.0147 -0.0242 -0.0275 727 HOH A O 6851 O O . HOH KA . ? 0.3553 0.3998 0.3778 -0.0365 -0.0273 0.0237 728 HOH A O 6852 O O . HOH KA . ? 0.3309 0.4122 0.3156 -0.0370 -0.0407 0.0106 729 HOH A O 6853 O O . HOH KA . ? 0.3947 0.4749 0.5998 0.0100 0.0650 0.1032 730 HOH A O 6854 O O . HOH KA . ? 0.3453 0.3395 0.4112 -0.0606 0.0078 -0.0412 731 HOH A O 6855 O O . HOH KA . ? 0.4373 0.3547 0.5494 0.0326 0.0621 0.0793 732 HOH A O 6856 O O . HOH KA . ? 0.3926 0.4775 0.4029 -0.0510 -0.0278 -0.0503 733 HOH A O 6857 O O . HOH KA . ? 0.3871 0.4491 0.3712 -0.0124 0.0004 0.0462 734 HOH A O 6858 O O . HOH KA . ? 0.4376 0.3714 0.5351 0.0352 0.0547 0.0642 735 HOH A O 6859 O O . HOH KA . ? 0.3505 0.3345 0.4099 0.0278 0.0257 0.0951 736 HOH A O 6860 O O . HOH KA . ? 0.4001 0.4694 0.3433 -0.0383 -0.0291 -0.0605 737 HOH A O 6861 O O . HOH KA . ? 0.4029 0.4293 0.4346 -0.0190 0.0124 0.0506 738 HOH A O 6862 O O . HOH KA . ? 0.4357 0.4700 0.5315 0.0200 0.0152 0.0994 739 HOH A O 6863 O O . HOH KA . ? 0.3247 0.4286 0.5764 0.0456 0.0627 0.1112 740 HOH A O 6864 O O . HOH KA . ? 0.3951 0.5074 0.3098 -0.0170 -0.0137 -0.0148 741 HOH A O 6865 O O . HOH KA . ? 0.2885 0.3253 0.3582 0.0119 0.0083 0.0928 742 HOH A O 6866 O O . HOH KA . ? 0.4292 0.4421 0.3699 -0.0421 0.0058 -0.1027 743 HOH A O 6867 O O . HOH KA . ? 0.3274 0.3748 0.3463 -0.0166 -0.0169 0.0386 744 HOH A O 6868 O O . HOH KA . ? 0.3501 0.2955 0.4268 -0.0101 0.0307 0.0204 745 HOH A O 6869 O O . HOH KA . ? 0.3948 0.3808 0.3434 0.0035 -0.0181 0.0000 746 HOH A O 6870 O O . HOH KA . ? 0.3119 0.3658 0.3322 -0.0249 -0.0231 0.0346 747 HOH A O 6871 O O . HOH KA . ? 0.3285 0.2605 0.3449 0.0175 0.0420 0.0025 748 HOH A O 6872 O O . HOH KA . ? 0.3303 0.3092 0.3945 -0.0610 0.0108 -0.0537 749 HOH A O 6873 O O . HOH KA . ? 0.3430 0.3227 0.4532 0.0478 0.0409 0.0857 750 HOH A O 6874 O O . HOH KA . ? 0.3019 0.3091 0.2522 0.0012 -0.0099 -0.0518 751 HOH A O 6875 O O . HOH KA . ? 0.3931 0.4276 0.3722 0.0137 -0.0193 -0.0151 752 HOH A O 6876 O O . HOH KA . ? 0.5479 0.5572 0.4970 -0.0022 -0.0086 -0.0685 753 HOH A O 6877 O O . HOH KA . ? 0.4168 0.3807 0.4135 -0.0549 0.0325 -0.1453 754 HOH A O 6878 O O . HOH KA . ? 0.3247 0.3369 0.2951 0.0155 -0.0230 -0.0034 755 HOH A O 6879 O O . HOH KA . ? 0.3502 0.3703 0.3135 0.0127 -0.0259 0.0014 756 HOH A O 6880 O O . HOH KA . ? 0.3918 0.3810 0.3929 0.0140 0.0587 -0.0283 757 HOH A O 6881 O O . HOH KA . ? 0.3608 0.4550 0.3456 -0.0214 -0.0335 0.0392 758 HOH A O 6882 O O . HOH KA . ? 0.3881 0.4340 0.3491 -0.0440 -0.0387 -0.0432 759 HOH A O 6883 O O . HOH KA . ? 0.5360 0.5974 0.4590 -0.0104 -0.0086 -0.0671 760 HOH A O 6884 O O . HOH KA . ? 0.3950 0.5262 0.3184 -0.0127 -0.0012 0.0029 761 HOH A O 6885 O O . HOH KA . ? 0.3334 0.3952 0.4960 0.0275 0.0743 0.0916 762 HOH A O 6886 O O . HOH KA . ? 0.3271 0.3298 0.3189 -0.0119 0.0046 0.0330 763 HOH A O 6887 O O . HOH KA . ? 0.4124 0.4518 0.6502 0.0869 0.1182 0.1022 764 HOH A O 6888 O O . HOH KA . ? 0.4206 0.3827 0.5300 -0.0460 0.0289 0.0109 765 HOH A O 6889 O O . HOH KA . ? 0.2504 0.3196 0.2236 -0.0214 -0.0300 -0.0312 766 HOH A O 6890 O O . HOH KA . ? 0.5665 0.5462 0.5130 0.0231 0.0405 0.0470 767 HOH A O 6891 O O . HOH KA . ? 0.4324 0.3475 0.5011 -0.0051 0.0520 -0.0423 768 HOH A O 6892 O O . HOH KA . ? 0.3702 0.3464 0.3782 0.0099 0.0365 -0.0075 769 HOH A O 6893 O O . HOH KA . ? 0.3886 0.3449 0.3691 0.0048 -0.0142 -0.0313 770 HOH A O 6894 O O . HOH KA . ? 0.4678 0.5974 0.5297 0.0050 -0.1052 0.0944 771 HOH A O 6895 O O . HOH KA . ? 0.2879 0.2994 0.2152 -0.0076 -0.0150 -0.0198 772 HOH A O 6896 O O . HOH KA . ? 0.4102 0.4278 0.3961 -0.0338 -0.0306 -0.0070 773 HOH A O 6897 O O . HOH KA . ? 0.5776 0.7422 0.7686 0.0332 -0.0825 0.1415 774 HOH A O 6898 O O . HOH KA . ? 0.4742 0.4582 0.5371 -0.0036 0.0202 0.0561 775 HOH A O 6899 O O . HOH KA . ? 0.4218 0.5148 0.3445 -0.0605 -0.0256 -0.1057 776 HOH A O 6900 O O . HOH KA . ? 0.4380 0.4672 0.5340 0.0319 0.0860 0.0790 777 HOH A O 6901 O O . HOH KA . ? 0.4645 0.5146 0.3961 -0.0037 -0.0049 -0.0656 778 HOH A O 6902 O O . HOH KA . ? 0.2970 0.4443 0.3363 -0.0054 -0.0274 -0.0091 779 HOH A O 6903 O O . HOH KA . ? 0.3860 0.4945 0.5586 0.0154 -0.0274 0.0919 780 HOH A O 6904 O O . HOH KA . ? 0.3728 0.3617 0.3481 -0.0235 -0.0240 -0.0118 781 HOH A O 6905 O O . HOH KA . ? 0.3309 0.3379 0.3990 -0.0532 0.0097 -0.0144 782 HOH A O 6906 O O . HOH KA . ? 0.5353 0.5142 0.7380 0.0873 0.0862 0.1072 783 HOH A O 6907 O O . HOH KA . ? 0.3844 0.4653 0.5090 -0.0014 -0.0320 0.0657 784 HOH A O 6908 O O . HOH KA . ? 0.4406 0.4965 0.4559 -0.0013 -0.0066 0.0720 785 HOH A O 6909 O O . HOH KA . ? 0.5371 0.4760 0.6235 0.0359 0.0545 0.0509 786 HOH A O 6910 O O . HOH KA . ? 0.5437 0.4855 0.4893 0.0419 0.0941 0.0151 787 HOH A O 6911 O O . HOH KA . ? 0.4240 0.4336 0.4687 -0.0147 0.0149 0.0561 788 HOH A O 6912 O O . HOH KA . ? 0.3523 0.3290 0.3248 -0.0209 -0.0232 -0.0242 789 HOH A O 6913 O O . HOH KA . ? 0.4404 0.4000 0.5578 -0.0378 0.0330 0.0314 790 HOH A O 6914 O O . HOH KA . ? 0.4950 0.4225 0.5864 -0.0330 0.0344 -0.0203 791 HOH A O 6915 O O . HOH KA . ? 0.3862 0.3701 0.4022 -0.0633 0.0076 -0.1047 792 HOH A O 6916 O O . HOH KA . ? 0.4487 0.5066 0.4326 0.0250 0.0084 -0.0512 793 HOH A O 6917 O O . HOH KA . ? 0.4686 0.5462 0.4400 -0.0062 -0.0343 -0.0159 794 HOH A O 6918 O O . HOH KA . ? 0.3722 0.3928 0.4316 -0.0464 0.0095 -0.0002 795 HOH A O 6919 O O . HOH KA . ? 0.3988 0.3764 0.3649 -0.0172 -0.0221 -0.0299 796 HOH A O 6920 O O . HOH KA . ? 0.3260 0.3972 0.3073 0.0018 -0.0015 -0.0191 797 HOH A O 6921 O O . HOH KA . ? 0.3876 0.3707 0.3550 -0.0074 -0.0041 0.0298 798 HOH A O 6922 O O . HOH KA . ? 0.5004 0.5884 0.4126 -0.0195 -0.0161 -0.0526 799 HOH A O 6923 O O . HOH KA . ? 0.4538 0.4036 0.5192 0.0426 0.0666 0.0347 800 HOH A O 6924 O O . HOH KA . ? 0.2691 0.2604 0.2251 -0.0074 -0.0102 -0.0147 801 HOH A O 6925 O O . HOH KA . ? 0.3999 0.4472 0.4469 -0.0571 -0.0072 -0.0354 802 HOH A O 6926 O O . HOH KA . ? 0.5021 0.5447 0.4000 -0.0276 0.0098 -0.0830 803 HOH A O 6927 O O . HOH KA . ? 0.3061 0.4709 0.6737 0.0699 0.0403 0.1550 804 HOH A O 6928 O O . HOH KA . ? 0.3901 0.4141 0.3955 -0.0069 0.0016 0.0474 805 HOH A O 6929 O O . HOH KA . ? 0.4197 0.5705 0.4593 -0.0271 -0.0329 -0.0187 806 HOH A O 6930 O O . HOH KA . ? 0.4058 0.3561 0.5133 -0.0559 0.0274 -0.0243 807 HOH A O 6931 O O . HOH KA . ? 0.4191 0.3758 0.5398 0.0085 0.0388 0.0677 808 HOH A O 6932 O O . HOH KA . ? 0.4494 0.4018 0.5371 -0.0560 0.0229 -0.0417 809 HOH A O 6933 O O . HOH KA . ? 0.3487 0.4581 0.3576 -0.0173 -0.0304 -0.0204 810 HOH A O 6934 O O . HOH KA . ? 0.5231 0.4192 0.5796 -0.0190 0.0299 -0.0262 811 HOH A O 6935 O O . HOH KA . ? 0.5949 0.6518 0.7087 -0.0239 -0.0429 0.0422 812 HOH A O 6936 O O . HOH KA . ? 0.7300 0.7331 0.6576 -0.0031 -0.0109 -0.0044 813 HOH A O 6937 O O . HOH KA . ? 0.5333 0.5266 0.6026 -0.0159 0.0216 0.0589 814 HOH A O 6938 O O . HOH KA . ? 0.5041 0.4469 0.6294 -0.0060 0.0408 0.0548 815 HOH A O 6939 O O . HOH KA . ? 0.3737 0.3530 0.3358 -0.0141 -0.0199 -0.0455 816 HOH A O 6940 O O . HOH KA . ? 0.7848 0.8011 0.7465 0.0058 0.0441 -0.0106 817 HOH A O 6941 O O . HOH KA . ? 0.5511 0.4879 0.4738 0.0279 0.0585 -0.0015 818 HOH A O 6942 O O . HOH KA . ? 0.2173 0.2104 0.1855 -0.0105 -0.0057 -0.0093 819 HOH A O 6943 O O . HOH KA . ? 0.6104 0.5782 0.7247 -0.0163 0.0339 0.0670 820 HOH A O 6944 O O . HOH KA . ? 0.4098 0.5155 0.3361 -0.0040 0.0039 -0.0340 821 HOH A O 6945 O O . HOH KA . ? 0.4894 0.4140 0.5263 0.0389 0.0742 0.0134 822 HOH A O 6946 O O . HOH KA . ? 0.5899 0.5953 0.5379 -0.0145 -0.0165 -0.0686 823 HOH A O 6947 O O . HOH KA . ? 0.6165 0.6803 0.5272 -0.0232 -0.0236 -0.0430 824 HOH A O 6948 O O . HOH KA . ? 0.3494 0.4158 0.3666 -0.0494 -0.0201 -0.0449 825 HOH A O 6949 O O . HOH KA . ? 0.4546 0.5125 0.4836 0.0305 -0.0329 0.1107 826 HOH A O 6950 O O . HOH KA . ? 0.3912 0.5069 0.3429 0.0095 0.0175 -0.0447 827 HOH A O 6951 O O . HOH KA . ? 0.4558 0.5937 0.3810 -0.0182 -0.0149 0.0243 828 HOH A O 6952 O O . HOH KA . ? 0.3214 0.4018 0.2956 -0.0543 -0.0312 -0.0719 829 HOH A O 6953 O O . HOH KA . ? 0.4115 0.4637 0.4357 -0.0378 -0.0063 -0.0184 830 HOH A O 6954 O O . HOH KA . ? 0.5473 0.5504 0.6806 0.0707 0.0239 0.1657 831 HOH A O 6955 O O . HOH KA . ? 0.3934 0.4933 0.3951 -0.0258 -0.0312 -0.0279 832 HOH A O 6956 O O . HOH KA . ? 0.5505 0.6439 0.4834 0.0009 0.0059 -0.0453 833 HOH A O 6957 O O . HOH KA . ? 0.5384 0.5135 0.5123 0.0133 -0.0180 -0.0059 834 HOH A O 6958 O O . HOH KA . ? 0.4403 0.5058 0.4125 0.0211 0.0112 -0.0576 835 HOH A O 6959 O O . HOH KA . ? 0.4030 0.4340 0.6728 0.1025 0.0793 0.1404 836 HOH A O 6960 O O . HOH KA . ? 0.6107 0.5451 0.6983 0.0487 0.0753 0.0408 837 HOH A O 6961 O O . HOH KA . ? 0.3550 0.3793 0.4245 0.0093 0.0121 0.0897 838 HOH A O 6962 O O . HOH KA . ? 0.3366 0.3669 0.3775 -0.0385 0.0067 0.0035 839 HOH A O 6963 O O . HOH KA . ? 0.3974 0.4010 0.4471 0.0006 0.0131 0.0649 840 HOH A O 6964 O O . HOH KA . ? 0.4581 0.4428 0.4101 -0.0038 -0.0063 0.0178 841 HOH A O 6965 O O . HOH KA . ? 0.3910 0.4081 0.5328 -0.0066 0.0746 0.1174 842 HOH A O 6966 O O . HOH KA . ? 0.5338 0.5514 0.4505 -0.0059 0.0153 -0.0235 843 HOH A O 6967 O O . HOH KA . ? 0.4815 0.4928 0.4075 -0.0169 0.0487 -0.1067 844 HOH A O 6968 O O . HOH KA . ? 0.3628 0.3646 0.3142 -0.0032 0.0104 0.0152 845 HOH A O 6969 O O . HOH KA . ? 0.4838 0.4946 0.4044 -0.0101 0.0222 -0.0511 846 HOH A O 6971 O O . HOH KA . ? 0.3868 0.3326 0.4374 -0.0489 0.0225 -0.0716 848 HOH A O 6972 O O . HOH KA . ? 0.5709 0.5077 0.6389 -0.0427 0.0271 -0.0498 849 HOH A O 6973 O O . HOH KA . ? 0.5744 0.5670 0.5220 -0.0321 0.0162 -0.0943 850 HOH A O 6974 O O . HOH KA . ? 0.5855 0.6291 0.5144 -0.0170 -0.0172 -0.0613 851 HOH A O 6975 O O . HOH KA . ? 0.4229 0.4608 0.4037 0.0233 0.0034 -0.0502 852 HOH A O 6976 O O . HOH KA . ? 0.5318 0.5802 0.8598 0.1201 0.0933 0.1590 853 HOH A O 6977 O O . HOH KA . ? 0.5308 0.6317 0.4485 -0.0081 -0.0020 -0.0403 854 HOH A O 6978 O O . HOH KA . ? 0.5104 0.5009 0.4515 -0.0028 -0.0050 0.0087 855 HOH A O 6979 O O . HOH KA . ? 0.4216 0.4213 0.4648 -0.0679 0.0008 -0.0770 856 HOH A O 6980 O O . HOH KA . ? 0.3534 0.4184 0.3108 -0.0469 -0.0268 -0.0707 857 HOH A O 6981 O O . HOH KA . ? 0.4052 0.5450 0.6451 0.0191 -0.0222 0.1094 858 HOH A O 6982 O O . HOH KA . ? 0.4839 0.4015 0.5981 0.0268 0.0651 0.1008 859 HOH A O 6983 O O . HOH KA . ? 0.6427 0.6530 0.5855 -0.0010 0.0208 0.0018 860 HOH A O 6984 O O . HOH KA . ? 0.3362 0.3909 0.3231 -0.0100 -0.0023 0.0496 861 HOH A O 6985 O O . HOH KA . ? 0.3820 0.4168 0.5206 -0.0070 0.0402 0.0892 862 HOH A O 6986 O O . HOH KA . ? 0.6862 0.7682 0.6883 0.0097 -0.0215 -0.0127 863 HOH A O 6987 O O . HOH KA . ? 0.5485 0.6076 0.5613 -0.0467 -0.0388 0.0077 864 HOH A O 6988 O O . HOH KA . ? 0.4180 0.4001 0.3921 -0.0180 -0.0198 -0.0035 865 HOH A O 6989 O O . HOH KA . ? 0.5580 0.6679 0.8249 0.0004 0.0532 0.1121 866 HOH A O 6990 O O . HOH KA . ? 0.3473 0.3258 0.3082 -0.0271 0.0167 -0.0801 867 HOH A O 6991 O O . HOH KA . ? 0.5243 0.5146 0.7452 0.0991 0.0542 0.1757 868 HOH A O 6992 O O . HOH KA . ? 0.3663 0.4929 0.2984 -0.0220 -0.0267 0.0215 869 HOH A O 6993 O O . HOH KA . ? 0.6677 0.7047 0.7924 0.0402 0.0935 0.0811 870 HOH A O 6994 O O . HOH KA . ? 0.3855 0.4444 0.4558 -0.0060 -0.0415 0.0469 871 HOH A O 6995 O O . HOH KA . ? 0.3967 0.4147 0.4838 -0.0316 -0.0439 0.0194 872 HOH A O 6996 O O . HOH KA . ? 0.4733 0.5329 0.5036 0.0021 -0.0054 0.0822 873 HOH A O 6997 O O . HOH KA . ? 0.4906 0.5478 0.4932 -0.0169 0.0073 0.0476 874 HOH A O 6998 O O . HOH KA . ? 0.4641 0.4220 0.5960 0.0584 0.0625 0.0834 875 HOH A O 6999 O O . HOH KA . ? 0.5019 0.4035 0.5834 -0.0188 0.0552 -0.0661 876 HOH A O 7000 O O . HOH KA . ? 0.4740 0.5859 0.4909 -0.0021 -0.0243 -0.0130 877 HOH A O 7001 O O . HOH KA . ? 0.5410 0.6605 0.5306 -0.0090 -0.0171 0.0865 878 HOH A O 7002 O O . HOH KA . ? 0.4107 0.3254 0.4254 0.0255 0.0597 -0.0025 879 HOH A O 7003 O O . HOH KA . ? 0.5810 0.5661 0.5434 -0.0030 0.0560 -0.0801 880 HOH A O 7004 O O . HOH KA . ? 0.5613 0.6726 0.4655 -0.0200 -0.0138 -0.0500 881 HOH A O 7005 O O . HOH KA . ? 0.3050 0.3538 0.4370 -0.0284 -0.0337 0.0452 882 HOH A O 7006 O O . HOH KA . ? 0.4742 0.5433 0.4156 0.0037 0.0025 -0.0464 883 HOH A O 7007 O O . HOH KA . ? 0.4789 0.6313 0.4183 -0.0159 -0.0013 0.0469 884 HOH A O 7008 O O . HOH KA . ? 0.4658 0.4763 0.4062 -0.0024 0.0144 0.0107 885 HOH A O 7009 O O . HOH KA . ? 0.3715 0.3626 0.3426 -0.0270 -0.0268 -0.0295 886 HOH A O 7010 O O . HOH KA . ? 0.5279 0.5213 0.5491 0.0192 0.0616 -0.0145 887 HOH A O 7011 O O . HOH KA . ? 0.8301 0.9004 0.7710 -0.0761 -0.0131 -0.1428 888 HOH A O 7012 O O . HOH KA . ? 0.3466 0.4152 0.4507 -0.0088 -0.0378 0.0536 889 HOH A O 7013 O O . HOH KA . ? 0.9021 0.8309 0.9421 0.0273 -0.0040 -0.0249 890 HOH A O 7014 O O . HOH KA . ? 0.5835 0.5955 0.5857 -0.0108 0.0078 0.0354 891 HOH A O 7015 O O . HOH KA . ? 0.5799 0.6234 0.4931 -0.0160 -0.0188 -0.0328 892 HOH A O 7016 O O . HOH KA . ? 0.6229 0.7384 0.7027 0.0111 -0.0113 0.1266 893 HOH A O 7017 O O . HOH KA . ? 0.5124 0.4916 0.4787 -0.0391 0.0252 -0.1150 894 HOH A O 7018 O O . HOH KA . ? 0.4030 0.4628 0.4207 -0.0385 -0.0332 0.0214 895 HOH A O 7019 O O . HOH KA . ? 0.6112 0.5072 0.7075 0.0209 0.0641 0.0376 896 HOH A O 7020 O O . HOH KA . ? 0.6740 0.6717 0.7299 -0.0075 0.0172 0.0614 897 HOH A O 7021 O O . HOH KA . ? 0.5339 0.4443 0.6854 -0.0082 0.0535 0.0315 898 HOH A O 7022 O O . HOH KA . ? 0.3584 0.3945 0.3954 -0.0274 0.0135 0.0397 899 HOH A O 7023 O O . HOH KA . ? 0.4459 0.4362 0.5441 0.0096 0.0262 0.0847 900 HOH A O 7024 O O . HOH KA . ? 0.5388 0.5831 0.5360 0.0244 -0.0125 -0.0193 901 HOH A O 7026 O O . HOH KA . ? 0.6454 0.6637 0.7200 -0.0469 0.0156 0.0155 903 HOH A O 7027 O O . HOH KA . ? 0.6973 0.6680 0.6229 0.0360 0.1006 0.0794 904 HOH A O 7028 O O . HOH KA . ? 0.5707 0.6771 0.6202 -0.0411 -0.0096 -0.0137 905 HOH A O 7029 O O . HOH KA . ? 0.6276 0.6012 0.5443 0.0247 0.0375 0.0526 906 HOH A O 7030 O O . HOH KA . ? 0.5486 0.6351 0.5293 -0.0134 0.0012 0.0567 907 HOH A O 7031 O O . HOH KA . ? 0.5155 0.4814 0.6033 -0.0243 0.0276 0.0359 908 HOH A O 7032 O O . HOH KA . ? 0.4698 0.6288 0.4060 -0.0210 -0.0252 0.0485 909 HOH A O 7033 O O . HOH KA . ? 0.5625 0.6244 0.4837 -0.0699 0.0013 -0.1572 910 HOH A O 7034 O O . HOH KA . ? 0.5379 0.6009 0.4427 -0.0300 -0.0172 -0.0611 911 HOH A O 7035 O O . HOH KA . ? 0.4184 0.3434 0.5191 0.0218 0.0733 -0.0224 912 HOH A O 7036 O O . HOH KA . ? 0.4131 0.4461 0.4434 -0.0682 -0.0111 -0.0736 913 HOH A O 7037 O O . HOH KA . ? 0.4456 0.5516 0.4476 -0.0090 -0.0324 -0.0162 914 HOH A O 7038 O O . HOH KA . ? 0.2965 0.3747 0.4017 0.0066 -0.0342 0.0693 915 HOH A O 7039 O O . HOH KA . ? 0.4768 0.5628 0.4561 -0.0105 -0.0065 0.0622 916 HOH A O 7040 O O . HOH KA . ? 0.6159 0.6616 0.5364 -0.0080 -0.0250 -0.0142 917 HOH A O 7041 O O . HOH KA . ? 0.4933 0.5039 0.4119 -0.0104 0.0131 -0.0420 918 HOH A O 7042 O O . HOH KA . ? 0.4346 0.4696 0.3644 -0.0026 -0.0254 -0.0066 919 HOH A O 7043 O O . HOH KA . ? 0.4225 0.4972 0.4196 -0.0188 0.0071 0.0181 920 HOH A O 7044 O O . HOH KA . ? 0.5228 0.6573 0.4367 -0.0193 -0.0152 0.0015 921 HOH A O 7045 O O . HOH KA . ? 0.5375 0.6128 0.5749 -0.0364 0.0007 -0.0016 922 HOH A O 7046 O O . HOH KA . ? 0.4225 0.3929 0.3901 -0.0133 -0.0201 -0.0359 923 HOH A O 7047 O O . HOH KA . ? 0.4820 0.3775 0.5111 0.0079 0.0485 -0.0149 924 HOH A O 7048 O O . HOH KA . ? 0.7459 0.6832 0.8305 -0.0463 0.0283 -0.0399 925 HOH A O 7049 O O . HOH KA . ? 0.4111 0.4132 0.3362 -0.0100 0.0029 -0.0332 926 HOH A O 7050 O O . HOH KA . ? 0.4800 0.5145 0.5237 -0.0358 0.0107 0.0182 927 HOH A O 7051 O O . HOH KA . ? 1.0761 1.2280 1.2725 0.0785 -0.0714 0.2114 928 HOH A O 7052 O O . HOH KA . ? 0.6299 0.5479 0.7372 0.0081 0.0547 0.0022 929 HOH A O 7053 O O . HOH KA . ? 0.4922 0.5744 0.4753 -0.0104 -0.0316 -0.0200 930 HOH A O 7054 O O . HOH KA . ? 0.6640 0.6409 0.6560 0.0497 0.1310 0.0586 931 HOH A O 7055 O O . HOH KA . ? 0.4403 0.3547 0.5445 0.0139 0.0662 -0.0193 932 HOH A O 7056 O O . HOH KA . ? 0.5958 0.5383 0.7309 0.0615 0.0579 0.1538 933 HOH A O 7057 O O . HOH KA . ? 0.6311 0.6407 0.6273 -0.0381 -0.0304 -0.0078 934 HOH A O 7058 O O . HOH KA . ? 0.5626 0.6781 0.5314 -0.0123 -0.0148 0.0673 935 HOH A O 7059 O O . HOH KA . ? 0.6125 0.4995 0.6911 0.0198 0.0657 0.0161 936 HOH A O 7061 O O . HOH KA . ? 0.4912 0.5024 0.4220 -0.0027 0.0133 0.0002 938 HOH A O 7062 O O . HOH KA . ? 0.4591 0.4924 0.4867 0.0007 0.0014 0.0695 939 HOH A O 7064 O O . HOH KA . ? 0.4444 0.5719 0.3579 -0.0140 -0.0055 -0.0136 941 HOH A O 7065 O O . HOH KA . ? 0.5909 0.7018 0.5905 -0.0382 -0.0370 -0.0389 942 HOH A O 7066 O O . HOH KA . ? 0.5299 0.4774 0.6677 -0.0246 0.0407 0.0545 943 HOH A O 7067 O O . HOH KA . ? 0.6810 0.8768 0.9209 0.0454 -0.0932 0.1689 944 HOH A O 7068 O O . HOH KA . ? 1.0384 1.1803 0.9952 -0.0545 -0.0495 -0.0655 945 HOH A O 7069 O O . HOH KA . ? 0.5780 0.4833 0.6631 0.0025 0.0707 -0.0603 946 HOH A O 7070 O O . HOH KA . ? 0.5894 0.7092 0.6428 -0.0480 -0.0193 -0.0241 947 HOH A O 7071 O O . HOH KA . ? 0.5812 0.5547 0.5687 0.0045 0.0625 -0.0688 948 HOH A O 7072 O O . HOH KA . ? 0.4124 0.4350 0.3914 0.0172 -0.0189 -0.0137 949 HOH A O 7073 O O . HOH KA . ? 0.4965 0.5080 0.4847 0.0254 -0.0025 -0.0436 950 HOH A O 7074 O O . HOH KA . ? 0.6772 0.7091 0.7171 0.0006 0.0059 0.0788 951 HOH A O 7075 O O . HOH KA . ? 0.6184 0.5943 0.7346 -0.0488 0.0290 0.0233 952 HOH A O 7076 O O . HOH KA . ? 0.5946 0.6879 0.9082 0.0886 0.1103 0.1292 953 HOH A O 7077 O O . HOH KA . ? 0.4972 0.3939 0.6416 -0.0302 0.0524 -0.0137 954 HOH A O 7078 O O . HOH KA . ? 0.4635 0.5389 0.4514 -0.0080 -0.0093 0.0642 955 HOH A O 7079 O O . HOH KA . ? 0.6620 0.5715 0.8065 0.0521 0.0741 0.1300 956 HOH A O 7080 O O . HOH KA . ? 0.5466 0.4534 0.6382 0.0016 0.0617 -0.0376 957 HOH A O 7081 O O . HOH KA . ? 0.6489 0.5597 0.7134 -0.0085 0.0587 -0.0665 958 HOH A O 7082 O O . HOH KA . ? 0.5601 0.6584 0.5115 0.0127 0.0159 -0.0575 959 HOH A O 7084 O O . HOH KA . ? 0.6739 0.7157 0.6859 0.0324 -0.0195 0.1171 961 HOH A O 7086 O O . HOH KA . ? 0.5564 0.6635 0.4855 -0.0457 -0.0377 -0.0681 963 HOH A O 7087 O O . HOH KA . ? 0.3325 0.3333 0.2594 -0.0055 -0.0072 -0.0139 964 HOH A O 7088 O O . HOH KA . ? 0.2905 0.2811 0.2330 -0.0105 -0.0073 -0.0277 965 HOH A O 7089 O O . HOH KA . ? 0.3879 0.3837 0.3342 0.0043 -0.0201 -0.0005 966 HOH A O 7090 O O . HOH KA . ? 0.3431 0.3339 0.2832 0.0004 -0.0155 0.0005 967 HOH A O 7091 O O . HOH KA . ? 0.3804 0.3711 0.3411 -0.0204 -0.0241 -0.0345 968 HOH A O 7092 O O . HOH KA . ? 0.4489 0.4712 0.3598 -0.0163 0.0022 -0.0481 969 HOH A O 7093 O O . HOH KA . ? 0.4977 0.5267 0.4571 -0.0665 -0.0009 -0.1331 970 HOH A O 7094 O O . HOH KA . ? 0.4258 0.3889 0.3995 -0.0088 -0.0147 0.0064 971 HOH A O 7095 O O . HOH KA . ? 0.4528 0.5329 0.4551 -0.0054 -0.0161 0.0703 972 HOH A O 7096 O O . HOH KA . ? 0.3758 0.4424 0.3646 -0.0067 -0.0055 -0.0143 973 HOH A O 7097 O O . HOH KA . ? 0.5061 0.5565 0.4345 -0.0238 -0.0229 -0.0586 974 HOH A O 7098 O O . HOH KA . ? 0.4262 0.5170 0.4424 -0.0438 -0.0262 -0.0388 975 HOH A O 7099 O O . HOH KA . ? 0.4383 0.4115 0.4885 -0.0654 0.0110 -0.0836 976 HOH A O 7100 O O . HOH KA . ? 0.3506 0.3167 0.3519 0.0060 0.0362 -0.0212 977 HOH A O 7101 O O . HOH KA . ? 0.4614 0.5360 0.4673 -0.0410 -0.0396 0.0153 978 HOH A O 7102 O O . HOH KA . ? 0.4740 0.4536 0.4538 -0.0514 0.0215 -0.1278 979 HOH A O 7103 O O . HOH KA . ? 0.4580 0.5247 0.4424 0.0063 -0.0277 -0.0109 980 HOH A O 7104 O O . HOH KA . ? 0.4771 0.4655 0.5701 -0.0676 0.0138 -0.0356 981 HOH A O 7105 O O . HOH KA . ? 0.4648 0.5117 0.4687 -0.0079 0.0004 0.0608 982 HOH A O 7106 O O . HOH KA . ? 0.4214 0.3952 0.4546 0.0204 0.0706 -0.0337 983 HOH A O 7107 O O . HOH KA . ? 0.5189 0.4178 0.6425 0.0265 0.0707 0.0825 984 HOH A O 7108 O O . HOH KA . ? 0.5523 0.5547 0.5149 0.0069 -0.0018 -0.0775 985 HOH A O 7109 O O . HOH KA . ? 0.5058 0.4244 0.6154 0.0013 0.0493 0.0100 986 HOH A O 7110 O O . HOH KA . ? 0.4744 0.4283 0.4946 -0.0547 0.0257 -0.1179 987 HOH A O 7111 O O . HOH KA . ? 0.5281 0.5267 0.6213 -0.0622 0.0148 -0.0156 988 HOH A O 7112 O O . HOH KA . ? 0.4649 0.4915 0.3846 -0.0079 -0.0175 -0.0170 989 HOH A O 7113 O O . HOH KA . ? 0.6644 0.5900 0.6947 -0.0308 0.0522 -0.1161 990 HOH A O 7114 O O . HOH KA . ? 0.5020 0.5569 0.4951 0.0169 -0.0170 -0.0157 991 HOH A O 7115 O O . HOH KA . ? 0.5891 0.5609 0.5971 0.0117 0.0844 -0.0842 992 HOH A O 7116 O O . HOH KA . ? 0.4545 0.4982 0.4835 -0.0285 0.0107 0.0284 993 HOH A O 7117 O O . HOH KA . ? 0.5430 0.5312 0.5393 0.0268 -0.0164 -0.0050 994 HOH A O 7118 O O . HOH KA . ? 0.5012 0.5454 0.5961 0.0181 0.0121 0.1105 995 HOH A O 7119 O O . HOH KA . ? 0.9677 0.9040 1.1009 0.0000 0.0448 0.0540 996 HOH A O 7120 O O . HOH KA . ? 0.4982 0.5314 0.4126 -0.0390 0.0086 -0.1062 997 HOH A O 7121 O O . HOH KA . ? 0.4870 0.4785 0.6168 0.0152 0.0326 0.1058 998 HOH A O 7122 O O . HOH KA . ? 0.5065 0.5231 0.4204 -0.0082 0.0067 -0.0263 999 HOH A O 7123 O O . HOH KA . ? 0.4851 0.5835 0.4902 -0.0221 -0.0340 0.0472 1000 HOH A O 7124 O O . HOH KA . ? 0.5228 0.5996 0.5549 -0.0287 -0.0279 0.0420 1001 HOH A O 7125 O O . HOH KA . ? 0.4467 0.5917 0.7019 0.0373 -0.0184 0.1265 1002 HOH A O 7126 O O . HOH KA . ? 0.5175 0.5990 0.5322 -0.0224 0.0010 -0.0010 1003 HOH A O 7127 O O . HOH KA . ? 0.4326 0.5863 0.3413 -0.0299 -0.0300 -0.0048 1004 HOH A O 7128 O O . HOH KA . ? 0.6397 0.6994 0.5527 -0.0579 -0.0002 -0.1335 1005 HOH A O 7129 O O . HOH KA . ? 0.6000 0.5573 0.5937 0.0163 -0.0124 -0.0224 1006 HOH A O 7130 O O . HOH KA . ? 0.5461 0.6886 0.4765 -0.0166 -0.0094 0.0337 1007 HOH A O 7131 O O . HOH KA . ? 0.6323 0.5520 0.6479 0.0428 0.0866 0.0059 1008 HOH A O 7132 O O . HOH KA . ? 0.6655 0.6828 0.7345 -0.0371 0.0189 0.0362 1009 HOH A O 7133 O O . HOH KA . ? 0.5326 0.5478 0.4566 -0.0052 0.0325 -0.0455 1010 HOH A O 7134 O O . HOH KA . ? 0.4966 0.5041 0.4913 -0.0069 0.0088 0.0290 1011 HOH A O 7135 O O . HOH KA . ? 0.3984 0.4702 0.3981 -0.0155 -0.0020 -0.0069 1012 HOH A O 7136 O O . HOH KA . ? 0.4653 0.5621 0.3951 -0.0206 -0.0395 -0.0278 1013 HOH A O 7137 O O . HOH KA . ? 0.4176 0.5656 0.4722 -0.0395 -0.0260 -0.0208 1014 HOH A O 7138 O O . HOH KA . ? 0.4604 0.4545 0.6172 0.0286 0.0389 0.1145 1015 HOH A O 7139 O O . HOH KA . ? 0.6501 0.7543 0.6505 -0.0067 -0.0182 0.0829 1016 HOH A O 7140 O O . HOH KA . ? 0.5086 0.5773 0.4693 0.0043 -0.0359 -0.0006 1017 HOH A O 7141 O O . HOH KA . ? 0.6560 0.7018 0.6023 0.0070 0.0014 -0.0627 1018 HOH A O 7142 O O . HOH KA . ? 0.5132 0.5832 0.5373 -0.0350 -0.0094 -0.0181 1019 HOH A O 7143 O O . HOH KA . ? 0.5030 0.5283 0.4930 0.0238 -0.0192 -0.0089 1020 HOH A O 7144 O O . HOH KA . ? 0.6375 0.6714 0.5476 -0.0142 -0.0119 -0.0323 1021 HOH A O 7145 O O . HOH KA . ? 0.5628 0.5878 0.6134 -0.0249 0.0171 0.0538 1022 HOH A O 7146 O O . HOH KA . ? 0.5141 0.5097 0.4805 -0.0286 -0.0274 -0.0416 1023 HOH A O 7147 O O . HOH KA . ? 0.4560 0.6318 0.7993 0.0504 0.0059 0.1476 1024 HOH A O 7148 O O . HOH KA . ? 0.6923 0.6635 0.7307 0.0230 0.0886 -0.0583 1025 HOH A O 7150 O O . HOH KA . ? 0.5078 0.5215 0.7538 0.1003 0.1295 0.1023 1027 HOH A O 7151 O O . HOH KA . ? 0.6004 0.6078 0.5484 -0.0081 -0.0116 -0.0728 1028 HOH A O 7152 O O . HOH KA . ? 0.4445 0.5264 0.6498 -0.0293 -0.0172 0.0714 1029 HOH A O 7153 O O . HOH KA . ? 0.4336 0.5210 0.5201 -0.0062 -0.0623 0.0595 1030 HOH A O 7154 O O . HOH KA . ? 0.6170 0.6377 0.6261 -0.0420 -0.0310 0.0014 1031 HOH A O 7155 O O . HOH KA . ? 0.5237 0.5080 0.6266 -0.0353 0.0287 0.0467 1032 HOH A O 7156 O O . HOH KA . ? 0.5921 0.6370 0.5979 -0.0485 -0.0388 -0.0047 1033 HOH A O 7157 O O . HOH KA . ? 0.3781 0.5380 0.7464 0.0876 0.0259 0.1739 1034 HOH A O 7158 O O . HOH KA . ? 0.5419 0.4613 0.6295 0.0179 0.0855 -0.0596 1035 HOH A O 7159 O O . HOH KA . ? 0.6773 0.6718 0.7846 -0.0496 0.0256 0.0277 1036 HOH A O 7160 O O . HOH KA . ? 0.5584 0.5353 0.5271 0.0209 0.0533 0.0960 1037 HOH A O 7161 O O . HOH KA . ? 0.6347 0.7311 0.6900 -0.0238 -0.1000 0.0416 1038 HOH A O 7162 O O . HOH KA . ? 0.7415 0.7323 0.6971 0.0081 -0.0206 0.0005 1039 HOH A O 7163 O O . HOH KA . ? 0.5369 0.6431 0.5754 0.0014 -0.0158 0.1043 1040 HOH A O 7164 O O . HOH KA . ? 0.4634 0.5288 0.4843 -0.0268 0.0102 0.0268 1041 HOH A O 7166 O O . HOH KA . ? 0.5715 0.6118 0.5148 0.0040 -0.0297 0.0021 1043 HOH A O 7167 O O . HOH KA . ? 0.5040 0.6412 0.4852 -0.0185 -0.0347 0.0652 1044 HOH A O 7168 O O . HOH KA . ? 0.6747 0.7354 0.6276 -0.0661 -0.0176 -0.1140 1045 HOH A O 7169 O O . HOH KA . ? 0.6150 0.6471 0.5477 -0.0547 0.0056 -0.1297 1046 HOH A O 7170 O O . HOH KA . ? 0.5184 0.5462 0.4680 -0.0644 0.0048 -0.1415 1047 HOH A O 7171 O O . HOH KA . ? 0.4923 0.6470 0.7453 0.0439 -0.0358 0.1401 1048 HOH A O 7172 O O . HOH KA . ? 0.5855 0.6950 0.6009 -0.0380 -0.0313 -0.0338 1049 HOH A O 7173 O O . HOH KA . ? 0.4110 0.5205 0.4570 0.0021 -0.0172 0.1047 1050 HOH A O 7174 O O . HOH KA . ? 0.5178 0.5997 0.5040 -0.0006 -0.0313 -0.0130 1051 HOH A O 7175 O O . HOH KA . ? 0.5337 0.5762 0.4514 -0.0219 -0.0179 -0.0454 1052 HOH A O 7176 O O . HOH KA . ? 0.5374 0.5374 0.4899 -0.0465 0.0159 -0.1212 1053 HOH A O 7177 O O . HOH KA . ? 0.7580 0.8151 0.7958 -0.0410 -0.0013 -0.0096 1054 HOH A O 7178 O O . HOH KA . ? 0.6233 0.7099 0.5295 -0.0235 -0.0303 -0.0374 1055 HOH A O 7179 O O . HOH KA . ? 0.7303 0.7397 0.6973 0.0133 0.0012 -0.0730 1056 HOH A O 7180 O O . HOH KA . ? 0.5311 0.4502 0.6654 0.0077 0.0538 0.0298 1057 HOH A O 7181 O O . HOH KA . ? 0.5914 0.4749 0.6482 0.0079 0.0563 -0.0061 1058 HOH A O 7182 O O . HOH KA . ? 0.5502 0.4803 0.6617 0.0238 0.0664 0.0006 1059 HOH A O 7183 O O . HOH KA . ? 0.5812 0.5479 0.6909 -0.0694 0.0213 -0.0392 1060 HOH A O 7184 O O . HOH KA . ? 0.5904 0.5194 0.6258 -0.0479 0.0462 -0.1353 1061 HOH A O 7185 O O . HOH KA . ? 0.5453 0.5641 0.5275 0.0219 -0.0239 0.0027 1062 HOH A O 7186 O O . HOH KA . ? 0.4780 0.4555 0.5902 -0.0601 0.0236 -0.0053 1063 HOH A O 7187 O O . HOH KA . ? 0.7287 0.8354 0.6954 -0.0346 -0.0412 -0.0426 1064 HOH A O 7188 O O . HOH KA . ? 0.4638 0.4259 0.4362 -0.0052 -0.0164 -0.0407 1065 HOH A O 7189 O O . HOH KA . ? 0.5486 0.6587 0.5168 -0.0148 0.0043 0.0488 1066 HOH A O 7190 O O . HOH KA . ? 0.5710 0.6042 0.6232 -0.0707 -0.0074 -0.0611 1067 HOH A O 7191 O O . HOH KA . ? 0.5224 0.6364 0.4548 -0.0313 -0.0362 -0.0043 1068 HOH A O 7192 O O . HOH KA . ? 0.6287 0.6447 0.5972 -0.0403 -0.0337 -0.0491 1069 HOH A O 7193 O O . HOH KA . ? 0.6435 0.6496 0.6035 -0.0044 0.0126 0.0243 1070 HOH A O 7194 O O . HOH KA . ? 0.5292 0.4347 0.6187 -0.0085 0.0542 -0.0381 1071 HOH A O 7195 O O . HOH KA . ? 0.4989 0.4665 0.5376 -0.0618 0.0133 -0.0924 1072 HOH A O 7196 O O . HOH KA . ? 0.5982 0.6677 0.5998 -0.0198 -0.0875 0.0285 1073 HOH A O 7197 O O . HOH KA . ? 0.6093 0.7678 0.5469 -0.0155 0.0036 0.0410 1074 HOH A O 7198 O O . HOH KA . ? 0.6466 0.6457 0.6346 -0.0680 0.0088 -0.1356 1075 HOH A O 7199 O O . HOH KA . ? 0.6149 0.6115 0.6302 0.0259 0.1002 0.0985 1076 HOH A O 7200 O O . HOH KA . ? 0.3977 0.4644 0.4197 -0.0644 -0.0219 -0.0650 1077 HOH A O 7201 O O . HOH KA . ? 0.6594 0.7027 0.5616 -0.0325 0.0051 -0.0892 1078 HOH A O 7202 O O . HOH KA . ? 0.6264 0.5368 0.5941 0.0353 0.0805 -0.0111 1079 HOH A O 7203 O O . HOH KA . ? 0.6600 0.7614 0.5884 -0.0128 -0.0415 -0.0129 1080 HOH A O 7204 O O . HOH KA . ? 0.6756 0.5478 0.6515 0.0072 0.0533 -0.0466 1081 HOH A O 7205 O O . HOH KA . ? 0.6318 0.6558 0.6884 -0.0301 0.0179 0.0461 1082 HOH A O 7206 O O . HOH KA . ? 0.6480 0.6060 0.7267 -0.0696 0.0185 -0.0792 1083 HOH A O 7207 O O . HOH KA . ? 0.6001 0.5508 0.7441 0.0185 0.0472 0.0719 1084 HOH A O 7208 O O . HOH KA . ? 0.5286 0.5411 0.6126 0.0092 0.0183 0.0929 1085 HOH A O 7209 O O . HOH KA . ? 0.6741 0.6701 0.6351 0.0023 0.0604 -0.0686 1086 HOH A O 7210 O O . HOH KA . ? 0.6059 0.7313 0.5644 -0.0193 -0.0300 0.0477 1087 HOH A O 7211 O O . HOH KA . ? 0.5239 0.4778 0.6631 0.0602 0.0602 0.0983 1088 HOH A O 7212 O O . HOH KA . ? 0.6123 0.6243 0.5442 -0.0019 0.0263 -0.0207 1089 HOH A O 7213 O O . HOH KA . ? 0.6920 0.6002 0.6359 -0.0190 0.0164 0.0110 1090 HOH A O 7214 O O . HOH KA . ? 0.5174 0.4519 0.6554 0.0198 0.0544 0.0446 1091 HOH A O 7215 O O . HOH KA . ? 0.7385 0.7697 0.6408 -0.0147 0.0138 -0.0528 1092 HOH A O 7216 O O . HOH KA . ? 0.6102 0.7490 0.6677 0.0003 -0.0243 0.1147 1093 HOH A O 7217 O O . HOH KA . ? 0.6579 0.7628 0.6284 -0.0266 -0.0376 0.0289 1094 HOH A O 7218 O O . HOH KA . ? 0.7742 0.7757 0.7672 0.0272 0.0016 -0.0557 1095 HOH A O 7219 O O . HOH KA . ? 0.6653 0.7558 0.6561 -0.0111 -0.0012 0.0746 1096 HOH A O 7220 O O . HOH KA . ? 0.6433 0.7979 0.6141 -0.0147 -0.0249 0.0837 1097 HOH A O 7221 O O . HOH KA . ? 0.5446 0.6030 0.5642 -0.0209 0.0120 0.0548 1098 HOH A O 7222 O O . HOH KA . ? 0.6338 0.6729 0.6572 -0.0091 0.0070 0.0690 1099 HOH A O 7223 O O . HOH KA . ? 0.6071 0.5411 0.7690 -0.0323 0.0466 0.0487 1100 HOH A O 7224 O O . HOH KA . ? 0.8484 0.9487 1.1061 0.1047 -0.0099 0.2186 1101 HOH A O 7225 O O . HOH KA . ? 0.6185 0.5739 0.6140 0.0087 -0.0031 -0.0746 1102 HOH A O 7226 O O . HOH KA . ? 0.6268 0.5426 0.6766 -0.0099 0.0641 -0.0886 1103 HOH A O 7227 O O . HOH KA . ? 0.8070 0.7930 1.0382 0.1136 0.0496 0.2239 1104 HOH A O 7228 O O . HOH KA . ? 0.6012 0.5871 0.5981 0.0255 0.0035 -0.0672 1105 HOH A O 7229 O O . HOH KA . ? 0.6484 0.5859 0.7758 0.0610 0.0808 0.0645 1106 HOH A O 7230 O O . HOH KA . ? 0.5635 0.5210 0.6853 -0.0632 0.0275 -0.0201 1107 HOH A O 7231 O O . HOH KA . ? 0.6236 0.6677 0.6491 -0.0144 -0.0550 0.0249 1108 HOH A O 7232 O O . HOH KA . ? 0.5956 0.6475 0.7719 -0.0067 0.0545 0.1007 1109 HOH A O 7233 O O . HOH KA . ? 0.5169 0.5238 0.5850 -0.0702 0.0028 -0.0556 1110 HOH A O 7234 O O . HOH KA . ? 0.8327 0.8119 0.8045 -0.0256 -0.0239 -0.0532 1111 HOH A O 7235 O O . HOH KA . ? 0.3694 0.4985 0.4053 -0.0041 -0.0257 0.1003 1112 HOH A O 7236 O O . HOH KA . ? 0.7415 0.7685 0.7240 0.0202 -0.0231 -0.0036 1113 HOH A O 7237 O O . HOH KA . ? 0.6161 0.5845 0.7750 0.0239 0.0453 0.0981 1114 HOH A O 7238 O O . HOH KA . ? 0.6602 0.7753 0.5964 0.0015 0.0116 -0.0374 1115 HOH A O 7239 O O . HOH KA . ? 0.5858 0.6323 0.5381 0.0088 0.0006 -0.0503 1116 HOH A O 7240 O O . HOH KA . ? 0.4921 0.6463 0.7105 0.0706 -0.0625 0.1907 1117 HOH A O 7241 O O . HOH KA . ? 0.5628 0.5942 0.6352 -0.0660 0.0010 -0.0331 1118 HOH A O 7243 O O . HOH KA . ? 0.6039 0.5356 0.7651 0.0278 0.0628 0.0504 1120 HOH A O 7244 O O . HOH KA . ? 0.5331 0.5921 0.5375 -0.0051 -0.0047 0.0691 1121 HOH A O 7245 O O . HOH KA . ? 0.6651 0.5916 0.7654 -0.0079 0.0412 0.0138 1122 HOH A O 7246 O O . HOH KA . ? 0.6718 0.8329 0.5783 -0.0267 -0.0250 0.0022 1123 HOH A O 7247 O O . HOH KA . ? 0.7317 0.7759 0.8494 0.0208 0.0176 0.1304 1124 HOH A O 7248 O O . HOH KA . ? 0.6771 0.6500 0.6227 0.0266 0.0737 0.1020 1125 HOH A O 7249 O O . HOH KA . ? 0.6614 0.6656 0.7577 -0.0527 0.0204 0.0153 1126 HOH A O 7250 O O . HOH KA . ? 0.5319 0.5847 0.5844 0.0070 0.0012 0.0940 1127 HOH A O 7251 O O . HOH KA . ? 0.6778 0.8186 0.6481 -0.0162 -0.0287 0.0697 1128 HOH A O 7252 O O . HOH KA . ? 0.6568 0.7213 0.6300 -0.0757 -0.0205 -0.1182 1129 HOH A O 7253 O O . HOH KA . ? 0.6430 0.6629 0.6643 0.0411 -0.0031 -0.0275 1130 HOH A O 7254 O O . HOH KA . ? 0.4970 0.6009 0.6352 0.0051 -0.0474 0.0803 1131 HOH A O 7255 O O . HOH KA . ? 0.5478 0.6238 0.5139 -0.0156 -0.0340 -0.0253 1132 HOH A O 7256 O O . HOH KA . ? 0.5228 0.5638 0.4297 -0.0214 -0.0097 -0.0500 1133 HOH A O 7257 O O . HOH KA . ? 0.5700 0.6311 0.7649 0.0538 0.1055 0.0959 1134 HOH A O 7258 O O . HOH KA . ? 0.5853 0.5123 0.6161 -0.0399 0.0530 -0.1357 1135 HOH A O 7259 O O . HOH KA . ? 0.7340 0.6988 0.9120 0.0831 0.0549 0.1650 1136 HOH A O 7260 O O . HOH KA . ? 0.6928 0.8586 0.6541 -0.0489 -0.0568 -0.0514 1137 HOH A O 7261 O O . HOH KA . ? 0.6713 0.7798 0.6339 -0.0450 -0.0410 -0.0570 1138 HOH A O 7262 O O . HOH KA . ? 0.6042 0.5625 0.8023 0.0880 0.0677 0.1493 1139 HOH A O 7263 O O . HOH KA . ? 0.7470 0.8096 0.6478 -0.0507 0.0029 -0.1253 1140 HOH A O 7264 O O . HOH KA . ? 0.5895 0.6126 0.6236 -0.0025 0.0073 0.0688 1141 HOH A O 7265 O O . HOH KA . ? 0.5197 0.5115 0.6179 0.0514 0.0257 0.1321 1142 HOH A O 7266 O O . HOH KA . ? 0.6917 0.6619 0.6635 0.0202 0.0333 0.0997 1143 HOH A O 7267 O O . HOH KA . ? 0.7606 0.8555 0.6490 -0.0543 -0.0108 -0.1169 1144 HOH A O 7268 O O . HOH KA . ? 0.6750 0.7437 0.7146 -0.0520 -0.0128 -0.0326 1145 HOH A O 7269 O O . HOH KA . ? 0.3362 0.2792 0.4032 0.0200 0.0695 -0.0310 1146 HOH A O 7270 O O . HOH KA . ? 0.2881 0.3564 0.2855 -0.0131 -0.0077 -0.0138 1147 HOH A O 7271 O O . HOH KA . ? 0.5470 0.6263 0.5518 -0.0188 0.0036 0.0033 1148 HOH A O 7272 O O . HOH KA . ? 0.4785 0.5146 0.4825 -0.0043 -0.0028 0.0550 1149 HOH A O 7273 O O . HOH KA . ? 0.4678 0.5390 0.4293 0.0155 0.0099 -0.0547 1150 HOH A O 7274 O O . HOH KA . ? 0.6378 0.7019 0.5658 -0.0042 -0.0044 -0.0531 1151 HOH A O 7275 O O . HOH KA . ? 0.4265 0.4097 0.4187 0.0062 0.0274 -0.0026 1152 HOH A O 7276 O O . HOH KA . ? 0.7634 0.7122 0.8318 0.0253 0.0888 -0.0530 1153 HOH A O 7277 O O . HOH KA . ? 0.8734 0.9895 0.7754 -0.0379 -0.0358 -0.0584 1154 HOH A O 7278 O O . HOH KA . ? 0.6220 0.5942 0.6483 0.0377 -0.0053 -0.0227 1155 HOH A O 7279 O O . HOH KA . ? 1.8110 1.8334 1.7793 0.0082 -0.0176 -0.0187 1156 HOH A O 7280 O O . HOH KA . ? 0.6145 0.6921 0.7363 -0.0207 -0.0526 0.0494 1157 HOH A O 7281 O O . HOH KA . ? 0.7845 0.8583 0.7288 -0.0010 -0.0371 -0.0017 1158 HOH A O 7282 O O . HOH KA . ? 0.7426 0.8855 1.0470 -0.0057 0.0150 0.1109 1159 HOH A O 7283 O O . HOH KA . ? 0.6504 0.6311 0.6224 0.0185 0.0344 0.0814 1160 HOH A O 7284 O O . HOH KA . ? 0.6257 0.6828 1.0288 0.1513 0.0940 0.2075 1161 HOH A O 7285 O O . HOH KA . ? 0.8193 0.9137 0.8713 -0.0496 -0.0116 -0.0214 1162 HOH A O 7286 O O . HOH KA . ? 0.8387 0.9489 0.8279 -0.0276 -0.0395 0.0383 1163 HOH A O 7287 O O . HOH KA . ? 0.7033 0.7513 0.5986 -0.0241 0.0010 -0.0647 1164 HOH A O 7288 O O . HOH KA . ? 1.1467 1.1708 1.0686 -0.0032 0.0106 0.0105 1165 HOH A O 7289 O O . HOH KA . ? 0.6569 0.7253 0.6540 -0.0076 -0.0041 0.0689 1166 HOH A O 7290 O O . HOH KA . ? 0.6054 0.7238 0.5641 -0.0219 -0.0331 0.0382 1167 HOH A O 7291 O O . HOH KA . ? 0.7373 0.6838 0.5857 0.0227 0.0281 0.0070 1168 HOH A O 7293 O O . HOH LA . ? 0.2359 0.2012 0.1983 0.0104 -0.0120 0.0446 601 HOH B O 7294 O O . HOH LA . ? 0.1901 0.1975 0.2452 -0.0199 -0.0200 0.0078 602 HOH B O 7295 O O . HOH LA . ? 0.2227 0.2133 0.2124 -0.0056 -0.0117 0.0452 603 HOH B O 7296 O O . HOH LA . ? 0.2402 0.2143 0.1920 0.0059 -0.0200 0.0363 604 HOH B O 7297 O O . HOH LA . ? 0.2043 0.2165 0.2130 -0.0303 -0.0206 0.0173 605 HOH B O 7298 O O . HOH LA . ? 0.2710 0.2163 0.2689 -0.0070 0.0046 0.0213 606 HOH B O 7299 O O . HOH LA . ? 0.2516 0.1996 0.1636 0.0025 -0.0032 0.0272 607 HOH B O 7300 O O . HOH LA . ? 0.2054 0.2232 0.1802 -0.0293 -0.0173 0.0046 608 HOH B O 7301 O O . HOH LA . ? 0.2257 0.2149 0.2063 -0.0119 -0.0007 0.0310 609 HOH B O 7302 O O . HOH LA . ? 0.3055 0.2089 0.3301 -0.0144 0.0298 0.0264 610 HOH B O 7303 O O . HOH LA . ? 0.2053 0.2016 0.1872 -0.0130 -0.0228 0.0359 611 HOH B O 7304 O O . HOH LA . ? 0.2684 0.2116 0.2925 0.0157 0.0147 0.0332 612 HOH B O 7305 O O . HOH LA . ? 0.2117 0.2401 0.2045 -0.0304 -0.0430 0.0515 613 HOH B O 7306 O O . HOH LA . ? 0.2280 0.2262 0.2263 -0.0169 -0.0018 0.0323 614 HOH B O 7307 O O . HOH LA . ? 0.2130 0.1922 0.3300 -0.0197 0.0107 0.0718 615 HOH B O 7308 O O . HOH LA . ? 0.2616 0.2228 0.2516 0.0115 0.0241 0.0539 616 HOH B O 7309 O O . HOH LA . ? 0.2611 0.2506 0.2534 -0.0067 0.0155 -0.0242 617 HOH B O 7310 O O . HOH LA . ? 0.1910 0.1786 0.1811 -0.0160 -0.0047 0.0281 618 HOH B O 7311 O O . HOH LA . ? 0.2569 0.2662 0.2375 -0.0222 -0.0300 0.0471 619 HOH B O 7312 O O . HOH LA . ? 0.2544 0.2158 0.2381 0.0299 -0.0118 0.0698 620 HOH B O 7313 O O . HOH LA . ? 0.2030 0.2321 0.2073 -0.0283 -0.0045 0.0038 621 HOH B O 7314 O O . HOH LA . ? 0.3452 0.2482 0.3580 0.0188 0.0702 0.1101 622 HOH B O 7315 O O . HOH LA . ? 0.3524 0.3662 0.3041 -0.0438 -0.0223 0.0359 623 HOH B O 7316 O O . HOH LA . ? 0.2510 0.1955 0.1661 0.0077 0.0057 0.0354 624 HOH B O 7317 O O . HOH LA . ? 0.2945 0.2949 0.3186 0.0352 -0.0305 0.0729 625 HOH B O 7318 O O . HOH LA . ? 0.2207 0.2416 0.1830 -0.0350 -0.0395 0.0427 626 HOH B O 7319 O O . HOH LA . ? 0.2742 0.3245 0.2325 -0.0548 -0.0642 0.0739 627 HOH B O 7320 O O . HOH LA . ? 0.3659 0.4201 0.6310 -0.0489 0.0174 0.0927 628 HOH B O 7321 O O . HOH LA . ? 0.3780 0.4026 0.2855 -0.1567 -0.1045 0.0130 629 HOH B O 7322 O O . HOH LA . ? 0.2778 0.2993 0.5872 0.0772 0.0513 0.0467 630 HOH B O 7323 O O . HOH LA . ? 0.4385 0.3574 0.3486 -0.0800 0.0038 -0.0399 631 HOH B O 7324 O O . HOH LA . ? 0.3064 0.3218 0.3208 -0.0198 0.0328 0.0178 632 HOH B O 7325 O O . HOH LA . ? 0.3190 0.3938 0.5000 -0.0269 -0.0024 0.0153 633 HOH B O 7326 O O . HOH LA . ? 0.2855 0.2251 0.3860 -0.0071 0.0743 0.1095 634 HOH B O 7327 O O . HOH LA . ? 0.3264 0.3262 0.2130 -0.0661 -0.0223 0.0049 635 HOH B O 7328 O O . HOH LA . ? 0.3187 0.3683 0.4876 0.0151 0.0206 0.1332 636 HOH B O 7329 O O . HOH LA . ? 0.3623 0.4073 0.3588 -0.0353 -0.0504 0.0920 637 HOH B O 7330 O O . HOH LA . ? 0.2924 0.2910 0.2751 -0.0083 0.0095 -0.0129 638 HOH B O 7331 O O . HOH LA . ? 0.4004 0.2529 0.5256 -0.0070 0.0864 -0.0474 639 HOH B O 7332 O O . HOH LA . ? 0.4210 0.3615 0.6265 0.0512 0.2325 0.1798 640 HOH B O 7333 O O . HOH LA . ? 0.3565 0.3252 0.3407 -0.0243 -0.0230 -0.0213 641 HOH B O 7334 O O . HOH LA . ? 0.3357 0.2599 0.2429 -0.0049 0.0081 0.0140 642 HOH B O 7335 O O . HOH LA . ? 0.2519 0.2462 0.2856 -0.0013 0.0087 0.0680 643 HOH B O 7336 O O . HOH LA . ? 0.3148 0.2953 0.4688 -0.0265 0.0553 0.1090 644 HOH B O 7337 O O . HOH LA . ? 0.2391 0.2264 0.2438 0.0000 0.0018 0.0561 645 HOH B O 7338 O O . HOH LA . ? 0.2376 0.2174 0.2417 0.0064 0.0128 0.0592 646 HOH B O 7339 O O . HOH LA . ? 0.3993 0.4025 0.2614 -0.0020 -0.0963 0.0725 647 HOH B O 7340 O O . HOH LA . ? 0.3036 0.2505 0.3917 0.0023 0.0785 0.1117 648 HOH B O 7341 O O . HOH LA . ? 0.2739 0.3384 0.2669 -0.0511 -0.0707 0.0875 649 HOH B O 7342 O O . HOH LA . ? 0.4003 0.5790 0.4655 -0.1244 -0.1677 0.1560 650 HOH B O 7343 O O . HOH LA . ? 0.3309 0.3104 0.2269 -0.0615 -0.0092 -0.0146 651 HOH B O 7344 O O . HOH LA . ? 0.2918 0.3002 0.3994 -0.0581 -0.0108 0.0686 652 HOH B O 7345 O O . HOH LA . ? 0.3431 0.3377 0.2915 0.0137 -0.0464 0.0501 653 HOH B O 7346 O O . HOH LA . ? 0.3298 0.3673 0.5318 -0.0147 0.0846 0.1279 654 HOH B O 7347 O O . HOH LA . ? 0.3344 0.3529 0.2900 -0.0388 -0.0344 0.0442 655 HOH B O 7348 O O . HOH LA . ? 0.3129 0.3041 0.5193 0.0466 0.1381 0.1491 656 HOH B O 7349 O O . HOH LA . ? 0.3270 0.3210 0.3856 0.0038 0.0514 -0.0302 657 HOH B O 7350 O O . HOH LA . ? 0.3246 0.3572 0.2470 -0.0589 -0.0490 0.0570 658 HOH B O 7351 O O . HOH LA . ? 0.2823 0.2471 0.2665 0.0082 0.0177 0.0589 659 HOH B O 7352 O O . HOH LA . ? 0.4115 0.3399 0.2420 -0.0272 -0.0383 -0.0017 660 HOH B O 7353 O O . HOH LA . ? 0.3865 0.3537 0.6841 0.0809 0.2407 0.1879 661 HOH B O 7354 O O . HOH LA . ? 0.3235 0.4029 0.2697 -0.1067 -0.1102 0.0728 662 HOH B O 7355 O O . HOH LA . ? 0.3475 0.3675 0.2870 -0.0452 -0.0363 0.0349 663 HOH B O 7356 O O . HOH LA . ? 0.2944 0.2622 0.4032 -0.0110 0.0567 0.1024 664 HOH B O 7357 O O . HOH LA . ? 0.3848 0.5771 0.6733 -0.0062 -0.0824 0.2741 665 HOH B O 7358 O O . HOH LA . ? 0.4013 0.3025 0.3174 0.0056 0.0390 0.0220 666 HOH B O 7359 O O . HOH LA . ? 0.3674 0.3570 0.6767 0.0460 0.2261 0.2021 667 HOH B O 7360 O O . HOH LA . ? 0.3156 0.3076 0.2177 -0.0573 -0.0113 -0.0056 668 HOH B O 7361 O O . HOH LA . ? 0.3236 0.2802 0.3642 0.0436 -0.0227 0.0901 669 HOH B O 7362 O O . HOH LA . ? 0.8268 0.6546 0.4458 -0.0102 0.0167 0.0410 670 HOH B O 7363 O O . HOH LA . ? 0.7466 0.5542 0.6193 0.0546 0.2297 0.1401 671 HOH B O 7364 O O . HOH LA . ? 0.4669 0.6060 0.9965 0.0077 0.1412 0.2513 672 HOH B O 7365 O O . HOH LA . ? 0.3934 0.2961 0.3711 -0.0385 0.0286 -0.0201 673 HOH B O 7366 O O . HOH LA . ? 0.5705 0.4706 0.4893 0.0396 0.0403 0.1197 674 HOH B O 7367 O O . HOH LA . ? 0.7890 0.7547 0.6251 -0.1515 -0.0657 -0.0272 675 HOH B O 7368 O O . HOH LA . ? 0.4140 0.4434 0.2759 -0.0856 -0.0556 0.0513 676 HOH B O 7369 O O . HOH LA . ? 0.2722 0.2977 0.3736 -0.0004 0.0128 0.0959 677 HOH B O 7370 O O . HOH LA . ? 0.3893 0.3674 0.3485 0.0066 -0.0186 0.0004 678 HOH B O 7371 O O . HOH LA . ? 0.4580 0.3846 0.3619 -0.0541 0.0453 -0.0454 679 HOH B O 7372 O O . HOH LA . ? 0.5751 0.6646 0.4940 -0.1066 -0.1171 0.0958 680 HOH B O 7373 O O . HOH LA . ? 0.3306 0.2862 0.3179 0.0150 0.0370 0.0659 681 HOH B O 7374 O O . HOH LA . ? 0.5408 0.4212 0.5274 -0.0312 0.0510 -0.0268 682 HOH B O 7375 O O . HOH LA . ? 0.2444 0.3212 0.4411 0.0047 0.0055 0.1442 683 HOH B O 7376 O O . HOH LA . ? 0.4137 0.3603 0.5579 -0.0474 0.0487 0.0890 684 HOH B O 7377 O O . HOH LA . ? 0.4700 0.4228 0.6893 -0.0358 0.1014 0.1387 685 HOH B O 7378 O O . HOH LA . ? 0.7870 0.4876 0.4420 0.0374 0.2395 0.0540 686 HOH B O 7379 O O . HOH LA . ? 0.3877 0.4611 0.3863 -0.0508 -0.0748 0.1066 687 HOH B O 7380 O O . HOH LA . ? 0.2492 0.3095 0.2847 -0.0298 -0.0541 0.1022 688 HOH B O 7381 O O . HOH LA . ? 0.3437 0.3547 0.3110 -0.0320 -0.0046 -0.0010 689 HOH B O 7382 O O . HOH LA . ? 0.5292 0.3079 0.7438 0.0174 0.1199 0.0254 690 HOH B O 7383 O O . HOH LA . ? 0.4239 0.4752 0.6467 -0.0433 -0.0019 0.0750 691 HOH B O 7384 O O . HOH LA . ? 0.3567 0.6292 0.7030 -0.1647 -0.1748 0.2021 692 HOH B O 7385 O O . HOH LA . ? 0.3488 0.3817 0.4701 -0.0381 -0.0167 0.0082 693 HOH B O 7386 O O . HOH LA . ? 0.5258 0.5155 0.3742 -0.0816 -0.0174 -0.0002 694 HOH B O 7387 O O . HOH LA . ? 0.2887 0.5224 0.7968 -0.0329 -0.0083 0.2538 695 HOH B O 7388 O O . HOH LA . ? 0.3681 0.3737 0.6434 0.0677 0.1114 0.1810 696 HOH B O 7389 O O . HOH LA . ? 0.4808 0.3919 0.3513 -0.0106 0.0030 0.0044 697 HOH B O 7390 O O . HOH LA . ? 0.5965 0.4012 0.3416 0.0309 0.1339 0.0676 698 HOH B O 7391 O O . HOH LA . ? 0.3865 0.3093 0.5119 0.0324 0.1832 0.1609 699 HOH B O 7392 O O . HOH LA . ? 0.3362 0.4265 0.7463 0.0244 0.1342 0.2147 700 HOH B O 7393 O O . HOH LA . ? 0.3696 0.2959 0.4163 -0.0125 0.0343 0.0666 701 HOH B O 7394 O O . HOH LA . ? 0.5254 0.5536 0.4322 -0.0101 -0.1050 0.0596 702 HOH B O 7395 O O . HOH LA . ? 0.5431 0.5459 0.5659 0.0518 -0.0631 0.1294 703 HOH B O 7396 O O . HOH LA . ? 0.3938 0.4011 0.3966 -0.0097 0.0149 -0.0003 704 HOH B O 7397 O O . HOH LA . ? 0.3666 0.3965 0.5378 -0.0795 -0.0127 0.0862 705 HOH B O 7398 O O . HOH LA . ? 0.3417 0.3431 0.6132 -0.0013 0.1391 0.1730 706 HOH B O 7399 O O . HOH LA . ? 0.4527 0.3979 0.3001 0.0284 -0.0339 0.1013 707 HOH B O 7400 O O . HOH LA . ? 0.5478 0.4104 0.3409 0.0285 0.0698 0.0825 708 HOH B O 7401 O O . HOH LA . ? 0.4571 0.3944 0.6282 0.0206 0.1762 0.1693 709 HOH B O 7402 O O . HOH LA . ? 0.5469 0.4163 0.3573 0.0252 0.0668 0.0679 710 HOH B O 7403 O O . HOH LA . ? 0.2728 0.5352 0.8831 0.0071 0.0241 0.3075 711 HOH B O 7404 O O . HOH LA . ? 0.3785 0.3856 0.5030 -0.0802 -0.0168 0.0648 712 HOH B O 7405 O O . HOH LA . ? 0.3553 0.4651 0.5694 0.0022 -0.0440 0.0329 713 HOH B O 7406 O O . HOH LA . ? 0.3871 0.3881 0.3835 -0.0092 0.0307 -0.0229 714 HOH B O 7407 O O . HOH LA . ? 0.3397 0.5335 0.7100 -0.1172 -0.0774 0.1755 715 HOH B O 7408 O O . HOH LA . ? 0.3598 0.3169 0.3518 -0.0249 -0.0221 -0.0299 716 HOH B O 7409 O O . HOH LA . ? 0.4468 0.6543 1.2646 0.0586 0.2609 0.3583 717 HOH B O 7410 O O . HOH LA . ? 0.4081 0.3125 0.4722 -0.0143 0.0494 0.0732 718 HOH B O 7411 O O . HOH LA . ? 0.3445 0.5079 0.6386 -0.1475 -0.1000 0.1381 719 HOH B O 7412 O O . HOH LA . ? 0.3881 0.3865 0.3653 -0.0094 0.0055 0.0322 720 HOH B O 7413 O O . HOH LA . ? 0.4648 0.7373 0.8774 -0.0404 -0.1046 0.2809 721 HOH B O 7414 O O . HOH LA . ? 0.4903 0.4138 0.6270 0.0092 0.1428 0.1541 722 HOH B O 7415 O O . HOH LA . ? 0.3031 0.5961 0.8216 -0.0923 -0.0888 0.2594 723 HOH B O 7416 O O . HOH LA . ? 0.3160 0.5612 0.7256 -0.0581 -0.0806 0.2377 724 HOH B O 7417 O O . HOH LA . ? 0.4448 0.3264 0.2465 0.0036 0.0254 0.0236 725 HOH B O 7418 O O . HOH LA . ? 0.5736 0.8197 0.7617 -0.1427 -0.1954 0.1974 726 HOH B O 7419 O O . HOH LA . ? 0.4251 0.5570 0.5859 -0.0205 -0.1081 0.0304 727 HOH B O 7420 O O . HOH LA . ? 0.3749 0.3463 0.3481 -0.0076 -0.0093 0.0244 728 HOH B O 7421 O O . HOH LA . ? 0.4882 0.4233 0.5250 -0.0503 0.0076 0.0269 729 HOH B O 7422 O O . HOH LA . ? 0.6661 0.4687 0.5760 0.0487 0.1900 0.0518 730 HOH B O 7423 O O . HOH LA . ? 0.5443 0.3905 0.2307 -0.0032 0.0219 0.0344 731 HOH B O 7424 O O . HOH LA . ? 0.5025 0.3924 0.5226 0.0322 0.0311 0.1228 732 HOH B O 7425 O O . HOH LA . ? 0.2587 0.2897 0.3704 -0.0139 0.0055 0.0945 733 HOH B O 7426 O O . HOH LA . ? 0.6892 0.5671 0.5156 0.0061 0.0393 0.0207 734 HOH B O 7427 O O . HOH LA . ? 0.5066 0.4050 0.2787 0.0229 0.0010 0.0922 735 HOH B O 7428 O O . HOH LA . ? 0.3587 0.5658 0.6002 -0.0507 -0.1157 0.2241 736 HOH B O 7429 O O . HOH LA . ? 0.3946 0.4572 0.4166 -0.0349 -0.0591 0.1087 737 HOH B O 7430 O O . HOH LA . ? 0.2257 0.2426 0.2992 -0.0077 0.0037 0.0815 738 HOH B O 7431 O O . HOH LA . ? 0.4065 0.3884 0.3228 0.0098 -0.0451 0.0471 739 HOH B O 7432 O O . HOH LA . ? 0.4490 0.3522 0.4544 -0.0124 0.0465 -0.0124 740 HOH B O 7433 O O . HOH LA . ? 0.5976 0.4618 0.3594 -0.0077 0.0193 0.0096 741 HOH B O 7434 O O . HOH LA . ? 0.6687 0.5972 0.5569 -0.0656 0.0265 -0.0443 742 HOH B O 7435 O O . HOH LA . ? 0.5321 0.5690 0.7471 0.0294 0.0877 -0.0122 743 HOH B O 7436 O O . HOH LA . ? 0.3539 0.2854 0.3243 0.0229 0.0596 0.0609 744 HOH B O 7437 O O . HOH LA . ? 0.3572 0.4750 0.6819 0.0466 0.0053 0.0513 745 HOH B O 7438 O O . HOH LA . ? 0.3919 0.3521 0.4439 -0.0564 -0.0029 0.0370 746 HOH B O 7439 O O . HOH LA . ? 0.4965 0.6188 0.7653 -0.0167 0.0070 0.0233 747 HOH B O 7440 O O . HOH LA . ? 0.5918 0.4865 0.3806 0.0326 0.0115 0.1140 748 HOH B O 7441 O O . HOH LA . ? 0.4496 0.5959 0.5529 -0.0528 -0.1088 0.1832 749 HOH B O 7442 O O . HOH LA . ? 0.4095 0.4327 0.4644 -0.1212 -0.0665 0.0366 750 HOH B O 7443 O O . HOH LA . ? 0.3312 0.3429 0.2894 -0.0388 0.0005 0.0005 751 HOH B O 7444 O O . HOH LA . ? 0.4623 0.4182 0.4436 -0.0142 -0.0189 -0.0402 752 HOH B O 7445 O O . HOH LA . ? 0.3819 0.3847 0.3101 0.0329 -0.0717 0.1136 753 HOH B O 7446 O O . HOH LA . ? 0.4643 0.5192 0.6245 -0.1147 -0.0534 0.0763 754 HOH B O 7447 O O . HOH LA . ? 0.5408 0.5178 0.5016 -0.1288 -0.0580 -0.0050 755 HOH B O 7448 O O . HOH LA . ? 0.5271 0.4155 0.5973 -0.0242 0.0509 0.0598 756 HOH B O 7449 O O . HOH LA . ? 0.4101 0.3850 0.4705 0.0560 -0.0368 0.1189 757 HOH B O 7450 O O . HOH LA . ? 0.4588 0.4004 0.6578 -0.0476 0.0815 0.1183 758 HOH B O 7451 O O . HOH LA . ? 0.3973 0.4003 0.3412 0.0061 -0.0554 0.0421 759 HOH B O 7452 O O . HOH LA . ? 0.4327 0.5368 0.4993 -0.0407 -0.0818 0.1517 760 HOH B O 7453 O O . HOH LA . ? 0.5261 0.4163 0.5472 -0.0341 0.0325 0.0094 761 HOH B O 7454 O O . HOH LA . ? 0.4628 0.3565 0.6620 0.0575 0.0640 0.0380 762 HOH B O 7455 O O . HOH LA . ? 0.5961 0.6507 0.5619 -0.0050 -0.1049 0.0638 763 HOH B O 7456 O O . HOH LA . ? 0.4936 0.4273 0.6775 -0.0069 0.1361 0.1561 764 HOH B O 7457 O O . HOH LA . ? 0.5130 0.7033 0.5881 -0.1144 -0.1699 0.1777 765 HOH B O 7458 O O . HOH LA . ? 0.4132 0.4096 0.5205 0.0653 -0.0436 0.1246 766 HOH B O 7459 O O . HOH LA . ? 0.3853 0.4916 0.6104 -0.0177 -0.0183 0.0210 767 HOH B O 7460 O O . HOH LA . ? 0.4001 0.3891 0.4378 -0.0826 -0.0336 0.0287 768 HOH B O 7461 O O . HOH LA . ? 0.5755 0.6164 0.3949 -0.2162 -0.1520 0.0173 769 HOH B O 7462 O O . HOH LA . ? 0.4813 0.4642 0.4711 0.0470 -0.0343 0.1099 770 HOH B O 7463 O O . HOH LA . ? 0.4045 0.4323 0.3686 -0.0391 -0.0424 0.0594 771 HOH B O 7464 O O . HOH LA . ? 0.4762 0.4563 0.3688 -0.0593 0.0082 -0.0156 772 HOH B O 7465 O O . HOH LA . ? 0.7000 0.5327 0.7234 0.0735 0.2763 0.1281 773 HOH B O 7466 O O . HOH LA . ? 0.3872 0.3957 0.6958 0.0758 0.1343 0.1910 774 HOH B O 7467 O O . HOH LA . ? 0.7343 0.6640 0.5381 -0.0319 -0.0519 0.0013 775 HOH B O 7468 O O . HOH LA . ? 0.4754 0.5284 0.7974 0.0630 0.0768 0.2145 776 HOH B O 7469 O O . HOH LA . ? 0.5493 0.4904 0.6127 0.0316 0.0700 0.0839 777 HOH B O 7470 O O . HOH LA . ? 0.4642 0.3638 0.4532 -0.0461 0.0233 -0.0125 778 HOH B O 7471 O O . HOH LA . ? 0.5235 0.4342 0.5383 0.0203 0.0323 0.0776 779 HOH B O 7472 O O . HOH LA . ? 0.6174 0.4349 0.8086 0.0115 0.1294 -0.0598 780 HOH B O 7473 O O . HOH LA . ? 0.6180 0.6431 0.4839 -0.1811 -0.1202 0.0095 781 HOH B O 7474 O O . HOH LA . ? 0.4968 0.3126 0.7006 0.0425 0.0937 0.0556 782 HOH B O 7475 O O . HOH LA . ? 0.4650 0.5654 0.5177 0.0160 -0.1247 0.0797 783 HOH B O 7476 O O . HOH LA . ? 0.4237 0.4352 0.4848 0.0005 0.0432 -0.0165 784 HOH B O 7477 O O . HOH LA . ? 0.4333 0.3461 0.4361 0.0179 0.0440 0.0910 785 HOH B O 7478 O O . HOH LA . ? 0.5197 0.3883 0.6933 0.0522 0.0593 0.0632 786 HOH B O 7479 O O . HOH LA . ? 0.5231 0.5363 0.4952 -0.0339 -0.0492 0.0037 787 HOH B O 7480 O O . HOH LA . ? 0.6489 0.6157 0.5927 -0.0222 -0.0538 -0.0221 788 HOH B O 7481 O O . HOH LA . ? 0.4099 0.4166 0.3339 -0.0527 0.0050 0.0066 789 HOH B O 7482 O O . HOH LA . ? 0.4931 0.4252 0.5067 -0.0537 0.0028 0.0118 790 HOH B O 7483 O O . HOH LA . ? 0.5011 0.4413 0.4449 -0.0823 -0.0161 -0.0203 791 HOH B O 7484 O O . HOH LA . ? 0.6591 0.5410 0.6979 -0.0424 0.1555 -0.1746 792 HOH B O 7486 O O . HOH LA . ? 0.3348 0.5292 0.6216 -0.0241 -0.0813 0.2319 794 HOH B O 7487 O O . HOH LA . ? 0.5667 0.4230 0.5715 -0.0261 0.0675 -0.0247 795 HOH B O 7488 O O . HOH LA . ? 0.5243 0.5572 0.4185 -0.0704 -0.0499 0.0624 796 HOH B O 7489 O O . HOH LA . ? 0.5587 0.5639 1.0930 0.1578 0.0847 0.1386 797 HOH B O 7490 O O . HOH LA . ? 0.4937 0.5553 0.6086 -0.1402 -0.0841 0.0613 798 HOH B O 7493 O O . HOH LA . ? 0.3889 0.4654 0.4493 -0.0278 -0.0598 0.1353 801 HOH B O 7496 O O . HOH LA . ? 0.6381 0.6382 0.5445 -0.0548 0.0381 -0.0961 804 HOH B O 7497 O O . HOH LA . ? 0.7743 1.2284 1.3864 -0.1528 -0.2251 0.3531 805 HOH B O 7498 O O . HOH LA . ? 0.3991 0.3829 0.4587 -0.0675 -0.0182 0.0404 806 HOH B O 7499 O O . HOH LA . ? 0.4496 0.3759 0.3872 0.0347 0.0127 0.0972 807 HOH B O 7500 O O . HOH LA . ? 0.4694 0.5126 0.4146 0.0078 -0.1039 0.0858 808 HOH B O 7501 O O . HOH LA . ? 0.3982 0.4237 0.4448 -0.0239 0.0478 0.0199 809 HOH B O 7502 O O . HOH LA . ? 0.5184 0.4539 0.4906 0.0355 0.0062 0.0905 810 HOH B O 7503 O O . HOH LA . ? 0.5854 0.8586 1.0466 -0.0122 -0.0806 0.3093 811 HOH B O 7504 O O . HOH LA . ? 0.4160 0.7134 0.7295 -0.1924 -0.2183 0.2099 812 HOH B O 7506 O O . HOH LA . ? 0.4415 0.4673 0.7782 -0.0178 0.1350 0.1862 814 HOH B O 7507 O O . HOH LA . ? 0.5360 0.4484 0.5772 0.0309 0.0315 0.0671 815 HOH B O 7508 O O . HOH LA . ? 0.4105 0.4207 0.4344 -0.0070 0.0359 -0.0140 816 HOH B O 7509 O O . HOH LA . ? 0.7646 0.6875 0.6612 -0.1145 -0.0197 -0.0414 817 HOH B O 7510 O O . HOH LA . ? 0.6256 0.6402 0.5712 -0.0487 -0.0139 0.0304 818 HOH B O 7511 O O . HOH LA . ? 0.6319 0.6501 0.5499 -0.0267 0.0192 -0.0248 819 HOH B O 7512 O O . HOH LA . ? 0.4511 0.4366 0.5964 0.0659 -0.0221 0.1011 820 HOH B O 7513 O O . HOH LA . ? 0.5528 0.4718 0.4911 -0.0712 0.0040 -0.0307 821 HOH B O 7514 O O . HOH LA . ? 0.3923 0.3660 0.6441 0.0101 0.1723 0.1813 822 HOH B O 7515 O O . HOH LA . ? 0.3683 0.4357 0.5456 -0.0358 -0.0343 0.0548 823 HOH B O 7516 O O . HOH LA . ? 0.7971 0.8847 0.6865 -0.1322 -0.1313 0.0831 824 HOH B O 7517 O O . HOH LA . ? 0.7211 0.4695 0.4589 0.0301 0.1840 0.0301 825 HOH B O 7518 O O . HOH LA . ? 0.6102 0.7290 1.2232 0.0465 0.2462 0.2903 826 HOH B O 7519 O O . HOH LA . ? 0.4790 0.5780 0.9177 0.0721 0.1103 0.2484 827 HOH B O 7520 O O . HOH LA . ? 1.0442 0.7269 1.5075 0.0837 0.2637 -0.0384 828 HOH B O 7521 O O . HOH LA . ? 0.5605 0.7643 0.6962 -0.2224 -0.2136 0.1283 829 HOH B O 7522 O O . HOH LA . ? 0.4751 0.4484 0.4929 0.0464 -0.0169 0.0951 830 HOH B O 7523 O O . HOH LA . ? 0.4385 0.6995 1.0588 -0.0046 0.0320 0.3000 831 HOH B O 7524 O O . HOH LA . ? 0.6057 0.4640 0.6583 0.0044 0.0723 0.0120 832 HOH B O 7525 O O . HOH LA . ? 0.4648 0.4223 0.4512 -0.0218 -0.0213 -0.0401 833 HOH B O 7526 O O . HOH LA . ? 0.3634 0.6808 0.8865 -0.1324 -0.1276 0.2568 834 HOH B O 7527 O O . HOH LA . ? 0.4872 0.6612 0.9297 -0.1111 -0.0242 0.1869 835 HOH B O 7528 O O . HOH LA . ? 0.6123 0.6232 0.5038 -0.0649 -0.0128 0.0304 836 HOH B O 7529 O O . HOH LA . ? 0.6330 0.5057 0.3976 -0.0246 -0.0046 -0.0073 837 HOH B O 7530 O O . HOH LA . ? 0.6634 0.4700 0.5270 0.0412 0.1711 0.0493 838 HOH B O 7532 O O . HOH LA . ? 0.4756 0.4142 0.4851 0.0307 0.0092 0.0709 840 HOH B O 7533 O O . HOH LA . ? 0.7113 0.5494 0.7077 0.0622 0.2639 0.1505 841 HOH B O 7534 O O . HOH LA . ? 0.5195 0.5630 0.6561 -0.0345 0.0246 0.0199 842 HOH B O 7535 O O . HOH LA . ? 0.4780 0.3942 0.4086 -0.0126 0.0127 0.0115 843 HOH B O 7536 O O . HOH LA . ? 0.6183 0.4397 0.3451 0.0393 0.1041 0.1295 844 HOH B O 7537 O O . HOH LA . ? 0.4958 0.4384 0.3814 -0.0349 -0.0360 -0.0092 845 HOH B O 7538 O O . HOH LA . ? 0.4978 0.6442 0.6694 -0.0220 -0.0845 0.2219 846 HOH B O 7539 O O . HOH LA . ? 0.8189 0.8768 0.9687 0.0900 -0.0865 0.1973 847 HOH B O 7540 O O . HOH LA . ? 0.7729 0.7667 0.6239 -0.0781 -0.0103 0.0068 848 HOH B O 7541 O O . HOH LA . ? 0.7416 0.7539 0.6679 -0.0340 0.0892 -0.0631 849 HOH B O 7542 O O . HOH LA . ? 0.6753 0.5965 0.5225 -0.0393 -0.0349 -0.0154 850 HOH B O 7543 O O . HOH LA . ? 0.4914 0.7163 1.1819 0.0084 0.1314 0.3084 851 HOH B O 7544 O O . HOH LA . ? 0.7890 0.6230 0.5253 0.0279 0.0860 0.0847 852 HOH B O 7545 O O . HOH LA . ? 0.5280 0.5254 0.5289 -0.0132 0.0670 -0.0480 853 HOH B O 7546 O O . HOH LA . ? 0.8126 0.6858 0.5294 0.0242 0.0139 0.1081 854 HOH B O 7547 O O . HOH LA . ? 0.8224 0.7103 0.9184 -0.0562 0.0474 0.0484 855 HOH B O 7548 O O . HOH LA . ? 0.6362 0.5462 0.5451 -0.0085 0.0155 0.0092 856 HOH B O 7549 O O . HOH LA . ? 0.4104 0.4840 0.4841 -0.0211 -0.0535 0.1528 857 HOH B O 7550 O O . HOH LA . ? 0.5496 0.4514 0.5057 -0.0614 0.0186 -0.0301 858 HOH B O 7551 O O . HOH LA . ? 0.4413 0.3541 0.4375 0.0232 0.0673 0.0541 859 HOH B O 7552 O O . HOH LA . ? 0.5293 0.4528 0.5978 0.0406 0.0965 0.0862 860 HOH B O 7553 O O . HOH LA . ? 0.4475 0.3990 0.4290 0.0449 -0.0090 0.1034 861 HOH B O 7554 O O . HOH LA . ? 0.4930 0.3960 0.6498 0.0586 0.0339 0.0779 862 HOH B O 7555 O O . HOH LA . ? 0.4156 0.2924 0.3578 0.0313 0.1034 0.0496 863 HOH B O 7556 O O . HOH LA . ? 0.4100 0.3959 0.4535 0.0015 0.0026 0.0611 864 HOH B O 7557 O O . HOH LA . ? 0.5039 0.4837 0.5324 -0.0586 -0.0586 -0.0386 865 HOH B O 7558 O O . HOH LA . ? 0.4809 0.3682 0.5211 -0.0123 0.0416 0.0374 866 HOH B O 7559 O O . HOH LA . ? 0.4370 0.4026 0.2942 -0.0876 -0.0179 -0.0232 867 HOH B O 7560 O O . HOH LA . ? 0.4826 0.4339 0.3220 -0.1128 -0.0288 -0.0335 868 HOH B O 7561 O O . HOH LA . ? 0.4350 0.4053 0.7702 0.0957 0.2312 0.1949 869 HOH B O 7562 O O . HOH LA . ? 1.1870 0.9547 1.4710 0.0273 0.2258 -0.1235 870 HOH B O 7563 O O . HOH LA . ? 0.4266 0.4790 0.3940 -0.0500 -0.0616 0.0899 871 HOH B O 7564 O O . HOH LA . ? 0.5825 0.7312 0.5660 -0.1243 -0.1601 0.1410 872 HOH B O 7565 O O . HOH LA . ? 0.6265 0.4552 0.4393 0.0421 0.1445 0.1151 873 HOH B O 7566 O O . HOH LA . ? 0.4821 0.4979 0.4562 -0.0292 -0.0340 0.0500 874 HOH B O 7567 O O . HOH LA . ? 0.5763 0.5224 0.6957 -0.0674 0.0230 0.0608 875 HOH B O 7568 O O . HOH LA . ? 0.3880 0.4933 0.5565 -0.0049 -0.0734 0.0321 876 HOH B O 7569 O O . HOH LA . ? 0.4265 0.3566 0.4691 0.0517 -0.0072 0.1273 877 HOH B O 7570 O O . HOH LA . ? 0.3354 0.4113 0.5671 -0.0388 -0.0090 0.0763 878 HOH B O 7571 O O . HOH LA . ? 0.3981 0.4006 0.7534 0.0372 0.2345 0.2183 879 HOH B O 7572 O O . HOH LA . ? 0.5682 0.5875 0.4968 -0.0520 -0.0286 0.0442 880 HOH B O 7573 O O . HOH LA . ? 0.6026 0.5146 0.5580 0.0361 0.0299 0.1068 881 HOH B O 7574 O O . HOH LA . ? 0.6119 0.5800 0.5994 -0.0834 -0.0310 0.0046 882 HOH B O 7575 O O . HOH LA . ? 0.7224 0.5171 0.4967 0.0218 0.1304 0.0254 883 HOH B O 7576 O O . HOH LA . ? 0.4739 0.7509 0.7203 -0.1111 -0.1913 0.2477 884 HOH B O 7577 O O . HOH LA . ? 0.5072 0.5390 0.7032 -0.1026 -0.0187 0.0854 885 HOH B O 7578 O O . HOH LA . ? 0.3578 0.4131 0.5543 -0.0466 -0.0319 0.0530 886 HOH B O 7579 O O . HOH LA . ? 0.4837 0.4276 0.4571 -0.0712 -0.0136 -0.0073 887 HOH B O 7580 O O . HOH LA . ? 0.4878 0.5113 0.4693 -0.0426 -0.0360 -0.0275 888 HOH B O 7581 O O . HOH LA . ? 0.5155 0.5648 0.3726 -0.0993 -0.0814 0.0721 889 HOH B O 7582 O O . HOH LA . ? 0.5013 0.5901 0.6523 -0.0555 -0.0816 -0.0055 890 HOH B O 7583 O O . HOH LA . ? 0.5006 0.5702 0.4669 -0.0595 -0.0768 0.1075 891 HOH B O 7584 O O . HOH LA . ? 0.8266 0.5308 0.5710 0.0572 0.2952 0.0749 892 HOH B O 7585 O O . HOH LA . ? 0.5932 0.7633 0.6784 -0.0759 -0.1383 0.1937 893 HOH B O 7586 O O . HOH LA . ? 0.6373 0.5076 0.7081 -0.0012 0.0700 0.0878 894 HOH B O 7587 O O . HOH LA . ? 0.5939 0.5469 0.3617 -0.0122 -0.0796 0.0595 895 HOH B O 7588 O O . HOH LA . ? 0.5693 0.5460 0.3843 -0.0014 -0.0854 0.0746 896 HOH B O 7589 O O . HOH LA . ? 0.6438 0.5199 0.3795 -0.0158 -0.0077 0.0124 897 HOH B O 7590 O O . HOH LA . ? 0.6185 0.6653 0.5983 0.0151 -0.1000 0.0680 898 HOH B O 7591 O O . HOH LA . ? 0.6468 0.6180 0.5038 0.0292 -0.0628 0.1181 899 HOH B O 7592 O O . HOH LA . ? 0.6817 0.5136 0.4420 0.0058 0.0674 0.0169 900 HOH B O 7593 O O . HOH LA . ? 0.6997 0.7231 0.5905 -0.0679 -0.0349 0.0546 901 HOH B O 7594 O O . HOH LA . ? 0.3673 0.4658 0.8263 0.0893 0.0921 0.0474 902 HOH B O 7595 O O . HOH LA . ? 0.6151 0.5835 0.6073 -0.0396 -0.0531 -0.0302 903 HOH B O 7596 O O . HOH LA . ? 0.4978 0.7538 1.3204 0.0621 0.1823 0.3691 904 HOH B O 7597 O O . HOH LA . ? 0.5571 0.5010 0.5546 0.0061 -0.0098 -0.0474 905 HOH B O 7598 O O . HOH LA . ? 0.6661 0.6926 0.6002 0.0304 -0.0950 0.1271 906 HOH B O 7599 O O . HOH LA . ? 0.5883 0.5838 0.4711 -0.0649 0.0016 0.0025 907 HOH B O 7601 O O . HOH LA . ? 0.6560 0.5955 1.0094 0.1142 0.0633 0.1087 909 HOH B O 7602 O O . HOH LA . ? 0.5673 0.4725 0.5383 0.0305 0.0450 0.1060 910 HOH B O 7603 O O . HOH LA . ? 0.7209 0.4931 1.0413 0.0650 0.1560 0.0188 911 HOH B O 7604 O O . HOH LA . ? 0.8574 0.8724 0.7669 -0.0324 -0.0933 0.0200 912 HOH B O 7605 O O . HOH LA . ? 0.4279 0.7777 1.0543 -0.0068 -0.0795 0.3749 913 HOH B O 7606 O O . HOH LA . ? 0.3745 0.6120 0.9235 -0.0689 -0.0053 0.2472 914 HOH B O 7607 O O . HOH LA . ? 0.9476 0.6964 1.1907 -0.0023 0.1773 -0.0916 915 HOH B O 7608 O O . HOH LA . ? 0.4472 0.6247 0.6910 -0.1930 -0.1509 0.1249 916 HOH B O 7609 O O . HOH LA . ? 0.5377 0.6241 0.9220 -0.0446 0.0753 0.1837 917 HOH B O 7610 O O . HOH LA . ? 0.4748 0.4407 0.9202 0.1300 0.0940 0.0949 918 HOH B O 7611 O O . HOH LA . ? 0.6802 0.7196 1.0266 0.1339 -0.0292 0.2087 919 HOH B O 7612 O O . HOH LA . ? 0.6359 0.5558 0.5343 0.0354 0.0129 0.1025 920 HOH B O 7613 O O . HOH LA . ? 0.5979 0.5794 0.3917 -0.0002 -0.0996 0.0962 921 HOH B O 7614 O O . HOH LA . ? 0.5937 0.5095 0.3975 -0.1289 -0.0114 -0.0570 922 HOH B O 7615 O O . HOH LA . ? 0.6081 0.5057 0.3993 -0.1206 0.0144 -0.0674 923 HOH B O 7616 O O . HOH LA . ? 0.6030 0.4584 0.7201 0.0830 0.3124 0.1595 924 HOH B O 7617 O O . HOH LA . ? 0.6312 0.5173 0.6753 0.0073 0.0461 0.0561 925 HOH B O 7618 O O . HOH LA . ? 0.5899 0.4876 0.6234 0.0220 0.0399 0.0750 926 HOH B O 7619 O O . HOH LA . ? 0.5119 0.5735 0.5365 0.0224 -0.0869 0.0905 927 HOH B O 7620 O O . HOH LA . ? 0.5617 0.6565 0.7998 -0.1355 -0.0645 0.1029 928 HOH B O 7621 O O . HOH LA . ? 0.4701 0.4808 0.8543 0.0561 0.2512 0.2249 929 HOH B O 7622 O O . HOH LA . ? 0.3131 0.6070 0.9128 -0.0179 -0.0247 0.3104 930 HOH B O 7623 O O . HOH LA . ? 0.4340 0.5555 0.8373 0.1012 -0.0214 0.1266 931 HOH B O 7624 O O . HOH LA . ? 0.6517 0.6445 0.4612 -0.0297 -0.1137 0.0496 932 HOH B O 7625 O O . HOH LA . ? 0.5974 0.4818 0.6430 0.0088 0.0475 0.0427 933 HOH B O 7626 O O . HOH LA . ? 0.6498 0.5075 0.6797 -0.0336 0.0531 0.0024 934 HOH B O 7627 O O . HOH LA . ? 0.6303 0.8986 0.8778 -0.1193 -0.1863 0.2292 935 HOH B O 7628 O O . HOH LA . ? 0.4482 0.6626 0.5495 -0.1425 -0.1934 0.1777 936 HOH B O 7629 O O . HOH LA . ? 0.7069 0.7121 0.5367 -0.1406 -0.0832 0.0039 937 HOH B O 7630 O O . HOH LA . ? 0.5935 0.5065 0.6305 -0.0008 0.0410 0.0735 938 HOH B O 7632 O O . HOH LA . ? 0.4102 0.4883 0.7173 -0.1049 -0.0055 0.1296 940 HOH B O 7633 O O . HOH LA . ? 0.5419 0.4827 0.8217 0.0910 0.2571 0.1800 941 HOH B O 7634 O O . HOH LA . ? 0.5174 0.6195 0.9963 0.0022 0.1541 0.2344 942 HOH B O 7635 O O . HOH LA . ? 0.6526 0.5061 0.7385 0.0721 0.3044 0.1695 943 HOH B O 7636 O O . HOH LA . ? 0.6606 0.6791 0.5413 -0.0461 0.0615 -0.0701 944 HOH B O 7637 O O . HOH LA . ? 0.8426 0.5817 1.3228 0.0980 0.2844 -0.0693 945 HOH B O 7638 O O . HOH LA . ? 0.4881 0.7922 0.9107 -0.1745 -0.1770 0.2237 946 HOH B O 7639 O O . HOH LA . ? 0.6073 0.6823 0.7368 -0.1688 -0.1027 0.0631 947 HOH B O 7640 O O . HOH LA . ? 0.6794 0.6874 0.6454 -0.0442 -0.0566 -0.0016 948 HOH B O 7641 O O . HOH LA . ? 0.7387 0.7778 0.6000 -0.2135 -0.1468 0.0135 949 HOH B O 7642 O O . HOH LA . ? 0.5367 0.6308 0.7339 0.0386 -0.0626 0.0699 950 HOH B O 7643 O O . HOH LA . ? 1.0966 0.9040 1.2928 0.0044 0.1605 -0.1025 951 HOH B O 7644 O O . HOH LA . ? 0.6836 0.6665 0.6162 -0.1693 -0.0831 -0.0120 952 HOH B O 7645 O O . HOH LA . ? 0.5447 0.5304 0.4935 -0.0015 -0.0095 0.0179 953 HOH B O 7646 O O . HOH LA . ? 0.7725 0.7593 0.5588 -0.1165 -0.0404 0.0022 954 HOH B O 7647 O O . HOH LA . ? 0.7327 0.5385 0.5953 0.0357 0.1567 0.0370 955 HOH B O 7648 O O . HOH LA . ? 0.5358 0.5254 0.5733 -0.1092 -0.0453 0.0219 956 HOH B O 7649 O O . HOH LA . ? 0.6890 0.5110 0.4536 0.0381 0.1264 0.1072 957 HOH B O 7650 O O . HOH LA . ? 0.7941 0.8428 0.7971 -0.0278 -0.1015 0.0021 958 HOH B O 7651 O O . HOH LA . ? 0.7791 0.5935 0.8165 0.0813 0.3340 0.1553 959 HOH B O 7652 O O . HOH LA . ? 0.6992 0.6918 1.1458 0.1020 0.1694 0.0022 960 HOH B O 7653 O O . HOH LA . ? 0.7574 0.6627 0.7957 -0.0566 0.0209 0.0169 961 HOH B O 7654 O O . HOH LA . ? 0.4537 0.7068 1.1308 0.0040 0.0816 0.3109 962 HOH B O 7655 O O . HOH LA . ? 0.7180 0.6885 0.5691 -0.0771 0.0048 -0.0189 963 HOH B O 7656 O O . HOH LA . ? 0.6345 0.5272 0.6372 -0.0510 0.0250 -0.0067 964 HOH B O 7657 O O . HOH LA . ? 0.5226 0.6529 0.6565 -0.0300 -0.0828 0.1880 965 HOH B O 7658 O O . HOH LA . ? 0.6821 0.6344 0.7515 -0.0747 -0.0017 0.0344 966 HOH B O 7659 O O . HOH LA . ? 0.8620 0.7738 0.5632 -0.0121 -0.0562 0.0603 967 HOH B O 7660 O O . HOH LA . ? 0.3447 0.6502 0.9320 -0.0817 -0.0628 0.2794 968 HOH B O 7661 O O . HOH LA . ? 0.9349 1.0157 0.9315 0.0119 -0.1232 0.0765 969 HOH B O 7662 O O . HOH LA . ? 0.5378 0.5708 0.6403 0.0628 -0.0700 0.1310 970 HOH B O 7663 O O . HOH LA . ? 0.7707 0.6094 0.4166 -0.0193 0.0034 0.0206 971 HOH B O 7664 O O . HOH LA . ? 0.6420 0.5407 0.4682 -0.1248 -0.0009 -0.0645 972 HOH B O 7665 O O . HOH LA . ? 0.5246 0.5420 0.5120 -0.0216 -0.0799 -0.0025 973 HOH B O 7666 O O . HOH LA . ? 0.5524 0.6397 0.7420 -0.0421 -0.0557 0.0509 974 HOH B O 7667 O O . HOH LA . ? 0.8578 0.6937 0.9821 0.0936 0.3409 0.1569 975 HOH B O 7668 O O . HOH LA . ? 0.4573 0.6389 1.0878 0.0080 0.1511 0.2855 976 HOH B O 7669 O O . HOH LA . ? 0.7155 0.7062 0.6984 -0.0335 -0.0287 -0.0271 977 HOH B O 7670 O O . HOH LA . ? 0.8354 0.8582 0.6941 0.0104 -0.1205 0.1245 978 HOH B O 7671 O O . HOH LA . ? 0.6580 0.6248 0.6482 0.0544 -0.0399 0.1572 979 HOH B O 7672 O O . HOH LA . ? 0.5400 0.5094 0.8195 0.0206 0.2110 0.2000 980 HOH B O 7673 O O . HOH LA . ? 0.4289 0.7167 1.4170 0.0836 0.2576 0.4240 981 HOH B O 7674 O O . HOH LA . ? 0.5822 0.7946 0.7368 -0.0788 -0.1554 0.2262 982 HOH B O 7675 O O . HOH LA . ? 0.8122 0.6674 0.8501 0.0561 0.2594 0.1704 983 HOH B O 7676 O O . HOH LA . ? 0.5439 0.6887 1.3372 0.1112 0.3351 0.3571 984 HOH B O 7677 O O . HOH LA . ? 0.6637 0.5754 0.7305 0.0441 0.0379 0.0771 985 HOH B O 7678 O O . HOH LA . ? 0.5798 0.5850 0.4768 -0.0622 0.0008 0.0161 986 HOH B O 7679 O O . HOH LA . ? 0.6144 0.5154 0.8620 0.0802 0.0604 0.0757 987 HOH B O 7680 O O . HOH LA . ? 0.7267 0.7874 1.1938 0.0905 0.1956 0.2458 988 HOH B O 7681 O O . HOH LA . ? 0.6904 0.6346 0.5718 0.0391 -0.0248 0.1176 989 HOH B O 7682 O O . HOH LA . ? 0.6547 0.5565 0.4791 -0.0323 -0.0206 -0.0138 990 HOH B O 7683 O O . HOH LA . ? 0.6048 0.7923 0.6167 -0.1713 -0.2047 0.1473 991 HOH B O 7684 O O . HOH LA . ? 0.7762 0.7008 0.4769 -0.0056 -0.0689 0.0857 992 HOH B O 7685 O O . HOH LA . ? 0.4343 0.4561 0.3553 -0.0547 -0.0361 0.0402 993 HOH B O 7686 O O . HOH LA . ? 0.6686 0.5158 0.6845 0.0558 0.1735 0.0723 994 HOH B O 7687 O O . HOH LA . ? 0.5674 0.6130 1.0746 0.0899 0.2779 0.2596 995 HOH B O 7688 O O . HOH LA . ? 0.8659 0.6695 0.9409 0.0951 0.3456 0.1368 996 HOH B O 7689 O O . HOH LA . ? 0.7863 0.8855 1.4323 0.0856 0.3046 0.3067 997 HOH B O 7690 O O . HOH LA . ? 0.5647 0.4848 0.7582 0.0535 0.2600 0.1893 998 HOH B O 7691 O O . HOH LA . ? 0.8464 0.6685 0.5232 0.0230 0.0736 0.0892 999 HOH B O 7692 O O . HOH LA . ? 0.6854 0.7619 0.6412 -0.2307 -0.1686 0.0351 1000 HOH B O 7693 O O . HOH LA . ? 0.6473 0.6978 0.5063 -0.1147 -0.0957 0.0562 1001 HOH B O 7694 O O . HOH LA . ? 0.8521 0.6869 0.8105 0.0439 0.1543 0.0517 1002 HOH B O 7695 O O . HOH LA . ? 0.6508 0.6415 0.4890 -0.1099 -0.0517 -0.0038 1003 HOH B O 7696 O O . HOH LA . ? 0.5885 0.7490 1.1331 0.0884 0.0616 0.3452 1004 HOH B O 7697 O O . HOH LA . ? 0.5451 0.6486 0.8558 0.0372 0.0395 0.0297 1005 HOH B O 7698 O O . HOH LA . ? 0.5638 0.6426 1.0556 0.0283 0.2118 0.2489 1006 HOH B O 7699 O O . HOH LA . ? 0.5300 0.6819 0.6709 -0.0127 -0.1355 0.0489 1007 HOH B O 7700 O O . HOH LA . ? 0.5622 0.5234 0.7442 0.0792 -0.0033 0.1186 1008 HOH B O 7701 O O . HOH LA . ? 0.5849 0.5440 0.5595 -0.1098 -0.0379 -0.0070 1009 HOH B O 7702 O O . HOH LA . ? 0.3812 0.5931 0.8181 -0.1211 -0.0658 0.1945 1010 HOH B O 7703 O O . HOH LA . ? 0.6337 0.5539 0.4205 0.0217 -0.0238 0.0959 1011 HOH B O 7704 O O . HOH LA . ? 0.6568 0.6690 0.4834 -0.0942 -0.0407 0.0347 1012 HOH B O 7705 O O . HOH LA . ? 1.0554 1.0645 0.9438 -0.0476 0.0928 -0.0900 1013 HOH B O 7706 O O . HOH LA . ? 0.7744 0.6629 0.5490 0.0379 0.0125 0.1352 1014 HOH B O 7707 O O . HOH LA . ? 0.6608 0.6426 0.7823 -0.0886 -0.0077 0.0551 1015 HOH B O 7708 O O . HOH LA . ? 0.5922 0.7475 0.8808 0.0021 -0.0491 0.0431 1016 HOH B O 7709 O O . HOH LA . ? 0.5519 0.6011 0.9765 0.0210 0.2029 0.2287 1017 HOH B O 7710 O O . HOH LA . ? 0.6329 0.4725 0.7578 -0.0207 0.1337 -0.1210 1018 HOH B O 7711 O O . HOH LA . ? 0.4539 0.5396 0.6489 -0.0541 -0.0437 0.0033 1019 HOH B O 7712 O O . HOH LA . ? 0.7620 0.6200 0.9616 0.1018 0.2780 0.1418 1020 HOH B O 7713 O O . HOH LA . ? 0.8409 0.6454 0.9479 0.0948 0.2916 0.1094 1021 HOH B O 7714 O O . HOH LA . ? 0.3741 0.3805 0.3418 0.0345 -0.0597 0.0992 1022 HOH B O 7715 O O . HOH LA . ? 0.4636 0.4631 0.3997 -0.0022 -0.0534 0.0289 1023 HOH B O 7717 O O . HOH LA . ? 0.4007 0.6186 0.9732 -0.0046 0.0583 0.2725 1025 HOH B O 7718 O O . HOH LA . ? 0.3660 0.5942 0.9308 -0.0308 0.0321 0.2629 1026 HOH B O 7719 O O . HOH LA . ? 0.6283 0.5949 0.6297 -0.0245 0.1435 -0.1168 1027 HOH B O 7723 O O . HOH LA . ? 0.5679 0.8273 0.9646 -0.0217 -0.0983 0.2950 1031 HOH B O 7724 O O . HOH LA . ? 0.4715 0.4288 0.7221 0.0791 0.1623 0.1626 1032 HOH B O 7725 O O . HOH LA . ? 0.6180 0.8458 1.2508 0.0629 0.0708 0.3366 1033 HOH B O 7726 O O . HOH LA . ? 0.7968 0.6225 1.2520 0.1164 0.1937 0.0197 1034 HOH B O 7727 O O . HOH LA . ? 0.6302 0.4813 0.7955 0.0463 0.0650 0.0717 1035 HOH B O 7728 O O . HOH LA . ? 0.4660 0.5055 0.5646 -0.0242 0.0464 0.0173 1036 HOH B O 7729 O O . HOH LA . ? 0.4730 0.5645 1.0746 0.0943 0.2714 0.2908 1037 HOH B O 7730 O O . HOH LA . ? 0.6046 0.5359 0.5536 0.0415 0.0047 0.1073 1038 HOH B O 7731 O O . HOH LA . ? 0.7042 0.6119 0.7265 0.0119 0.0410 0.0805 1039 HOH B O 7732 O O . HOH LA . ? 1.5129 1.4460 1.8088 0.0873 0.3139 0.2043 1040 HOH B O 7733 O O . HOH LA . ? 0.7334 0.5739 0.6499 0.0338 0.1296 0.0408 1041 HOH B O 7734 O O . HOH LA . ? 0.5705 0.5904 0.5581 -0.0405 -0.0480 0.0028 1042 HOH B O 7735 O O . HOH LA . ? 0.7902 0.7263 0.6966 -0.0934 -0.0163 -0.0327 1043 HOH B O 7736 O O . HOH LA . ? 0.7655 0.7003 0.5955 -0.1570 -0.0491 -0.0467 1044 HOH B O 7737 O O . HOH LA . ? 0.6049 0.6411 0.8502 -0.1085 -0.0054 0.1007 1045 HOH B O 7738 O O . HOH LA . ? 0.6504 0.6695 0.6532 -0.0176 0.0423 0.0039 1046 HOH B O 7739 O O . HOH LA . ? 0.5591 0.7675 1.1131 -0.0753 0.0240 0.2379 1047 HOH B O 7740 O O . HOH LA . ? 0.8715 0.8668 0.7522 0.0370 -0.0835 0.1486 1048 HOH B O 7742 O O . HOH LA . ? 0.2324 0.1967 0.2337 0.0106 0.0220 0.0563 1050 HOH B O 7743 O O . HOH LA . ? 0.2916 0.2316 0.2948 0.0196 0.0485 0.0588 1051 HOH B O 7744 O O . HOH LA . ? 0.4553 0.3417 0.3492 0.0118 0.0549 0.0250 1052 HOH B O 7745 O O . HOH LA . ? 0.5859 0.4003 0.9740 0.0908 0.1865 -0.0082 1053 HOH B O # _database_PDB_caveat.id 1 _database_PDB_caveat.text 'THE LIGAND MAN 507 OF CHAIN A AND CHAIN B ARE CHARACTERIZED BY A HIGH VALUE OF HIGH REAL SPACE R' # 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 LEU 1 18 18 LEU LEU A . n A 1 2 ASP 2 19 19 ASP ASP A . n A 1 3 ASN 3 20 20 ASN ASN A . n A 1 4 GLY 4 21 21 GLY GLY A . n A 1 5 LEU 5 22 22 LEU LEU A . n A 1 6 LEU 6 23 23 LEU LEU A . n A 1 7 GLN 7 24 24 GLN GLN A . n A 1 8 THR 8 25 25 THR THR A . n A 1 9 PRO 9 26 26 PRO PRO A . n A 1 10 PRO 10 27 27 PRO PRO A . n A 1 11 MET 11 28 28 MET MET A . n A 1 12 GLY 12 29 29 GLY GLY A . n A 1 13 TRP 13 30 30 TRP TRP A . n A 1 14 LEU 14 31 31 LEU LEU A . n A 1 15 ALA 15 32 32 ALA ALA A . n A 1 16 TRP 16 33 33 TRP TRP A . n A 1 17 GLU 17 34 34 GLU GLU A . n A 1 18 ARG 18 35 35 ARG ARG A . n A 1 19 PHE 19 36 36 PHE PHE A . n A 1 20 ARG 20 37 37 ARG ARG A . n A 1 21 CYS 21 38 38 CYS CYS A . n A 1 22 ASN 22 39 39 ASN ASN A . n A 1 23 ILE 23 40 40 ILE ILE A . n A 1 24 ASN 24 41 41 ASN ASN A . n A 1 25 CYS 25 42 42 CYS CYS A . n A 1 26 ASP 26 43 43 ASP ASP A . n A 1 27 GLU 27 44 44 GLU GLU A . n A 1 28 ASP 28 45 45 ASP ASP A . n A 1 29 PRO 29 46 46 PRO PRO A . n A 1 30 LYS 30 47 47 LYS LYS A . n A 1 31 ASN 31 48 48 ASN ASN A . n A 1 32 CYS 32 49 49 CYS CYS A . n A 1 33 ILE 33 50 50 ILE ILE A . n A 1 34 SER 34 51 51 SER SER A . n A 1 35 GLU 35 52 52 GLU GLU A . n A 1 36 GLN 36 53 53 GLN GLN A . n A 1 37 LEU 37 54 54 LEU LEU A . n A 1 38 PHE 38 55 55 PHE PHE A . n A 1 39 MET 39 56 56 MET MET A . n A 1 40 GLU 40 57 57 GLU GLU A . n A 1 41 MET 41 58 58 MET MET A . n A 1 42 ALA 42 59 59 ALA ALA A . n A 1 43 ASP 43 60 60 ASP ASP A . n A 1 44 ARG 44 61 61 ARG ARG A . n A 1 45 MET 45 62 62 MET MET A . n A 1 46 ALA 46 63 63 ALA ALA A . n A 1 47 GLN 47 64 64 GLN GLN A . n A 1 48 ASP 48 65 65 ASP ASP A . n A 1 49 GLY 49 66 66 GLY GLY A . n A 1 50 TRP 50 67 67 TRP TRP A . n A 1 51 ARG 51 68 68 ARG ARG A . n A 1 52 ASP 52 69 69 ASP ASP A . n A 1 53 MET 53 70 70 MET MET A . n A 1 54 GLY 54 71 71 GLY GLY A . n A 1 55 TYR 55 72 72 TYR TYR A . n A 1 56 THR 56 73 73 THR THR A . n A 1 57 TYR 57 74 74 TYR TYR A . n A 1 58 LEU 58 75 75 LEU LEU A . n A 1 59 ASN 59 76 76 ASN ASN A . n A 1 60 ILE 60 77 77 ILE ILE A . n A 1 61 ASP 61 78 78 ASP ASP A . n A 1 62 ASP 62 79 79 ASP ASP A . n A 1 63 CYS 63 80 80 CYS CYS A . n A 1 64 TRP 64 81 81 TRP TRP A . n A 1 65 ILE 65 82 82 ILE ILE A . n A 1 66 GLY 66 83 83 GLY GLY A . n A 1 67 GLY 67 84 84 GLY GLY A . n A 1 68 ARG 68 85 85 ARG ARG A . n A 1 69 ASP 69 86 86 ASP ASP A . n A 1 70 ALA 70 87 87 ALA ALA A . n A 1 71 SER 71 88 88 SER SER A . n A 1 72 GLY 72 89 89 GLY GLY A . n A 1 73 ARG 73 90 90 ARG ARG A . n A 1 74 LEU 74 91 91 LEU LEU A . n A 1 75 MET 75 92 92 MET MET A . n A 1 76 PRO 76 93 93 PRO PRO A . n A 1 77 ASP 77 94 94 ASP ASP A . n A 1 78 PRO 78 95 95 PRO PRO A . n A 1 79 LYS 79 96 96 LYS LYS A . n A 1 80 ARG 80 97 97 ARG ARG A . n A 1 81 PHE 81 98 98 PHE PHE A . n A 1 82 PRO 82 99 99 PRO PRO A . n A 1 83 HIS 83 100 100 HIS HIS A . n A 1 84 GLY 84 101 101 GLY GLY A . n A 1 85 ILE 85 102 102 ILE ILE A . n A 1 86 PRO 86 103 103 PRO PRO A . n A 1 87 PHE 87 104 104 PHE PHE A . n A 1 88 LEU 88 105 105 LEU LEU A . n A 1 89 ALA 89 106 106 ALA ALA A . n A 1 90 ASP 90 107 107 ASP ASP A . n A 1 91 TYR 91 108 108 TYR TYR A . n A 1 92 VAL 92 109 109 VAL VAL A . n A 1 93 HIS 93 110 110 HIS HIS A . n A 1 94 SER 94 111 111 SER SER A . n A 1 95 LEU 95 112 112 LEU LEU A . n A 1 96 GLY 96 113 113 GLY GLY A . n A 1 97 LEU 97 114 114 LEU LEU A . n A 1 98 LYS 98 115 115 LYS LYS A . n A 1 99 LEU 99 116 116 LEU LEU A . n A 1 100 GLY 100 117 117 GLY GLY A . n A 1 101 ILE 101 118 118 ILE ILE A . n A 1 102 TYR 102 119 119 TYR TYR A . n A 1 103 ALA 103 120 120 ALA ALA A . n A 1 104 ASP 104 121 121 ASP ASP A . n A 1 105 MET 105 122 122 MET MET A . n A 1 106 GLY 106 123 123 GLY GLY A . n A 1 107 ASN 107 124 124 ASN ASN A . n A 1 108 PHE 108 125 125 PHE PHE A . n A 1 109 THR 109 126 126 THR THR A . n A 1 110 CYS 110 127 127 CYS CYS A . n A 1 111 MET 111 128 128 MET MET A . n A 1 112 GLY 112 129 129 GLY GLY A . n A 1 113 TYR 113 130 130 TYR TYR A . n A 1 114 PRO 114 131 131 PRO PRO A . n A 1 115 GLY 115 132 132 GLY GLY A . n A 1 116 THR 116 133 133 THR THR A . n A 1 117 THR 117 134 134 THR THR A . n A 1 118 LEU 118 135 135 LEU LEU A . n A 1 119 ASP 119 136 136 ASP ASP A . n A 1 120 LYS 120 137 137 LYS LYS A . n A 1 121 VAL 121 138 138 VAL VAL A . n A 1 122 VAL 122 139 139 VAL VAL A . n A 1 123 GLN 123 140 140 GLN GLN A . n A 1 124 ASP 124 141 141 ASP ASP A . n A 1 125 ALA 125 142 142 ALA ALA A . n A 1 126 GLN 126 143 143 GLN GLN A . n A 1 127 THR 127 144 144 THR THR A . n A 1 128 PHE 128 145 145 PHE PHE A . n A 1 129 ALA 129 146 146 ALA ALA A . n A 1 130 GLU 130 147 147 GLU GLU A . n A 1 131 TRP 131 148 148 TRP TRP A . n A 1 132 LYS 132 149 149 LYS LYS A . n A 1 133 VAL 133 150 150 VAL VAL A . n A 1 134 ASP 134 151 151 ASP ASP A . n A 1 135 MET 135 152 152 MET MET A . n A 1 136 LEU 136 153 153 LEU LEU A . n A 1 137 LYS 137 154 154 LYS LYS A . n A 1 138 LEU 138 155 155 LEU LEU A . n A 1 139 ASP 139 156 156 ASP ASP A . n A 1 140 GLY 140 157 157 GLY GLY A . n A 1 141 CYS 141 158 158 CYS CYS A . n A 1 142 PHE 142 159 159 PHE PHE A . n A 1 143 SER 143 160 160 SER SER A . n A 1 144 THR 144 161 161 THR THR A . n A 1 145 PRO 145 162 162 PRO PRO A . n A 1 146 GLU 146 163 163 GLU GLU A . n A 1 147 GLU 147 164 164 GLU GLU A . n A 1 148 ARG 148 165 165 ARG ARG A . n A 1 149 ALA 149 166 166 ALA ALA A . n A 1 150 GLN 150 167 167 GLN GLN A . n A 1 151 GLY 151 168 168 GLY GLY A . n A 1 152 TYR 152 169 169 TYR TYR A . n A 1 153 PRO 153 170 170 PRO PRO A . n A 1 154 LYS 154 171 171 LYS LYS A . n A 1 155 MET 155 172 172 MET MET A . n A 1 156 ALA 156 173 173 ALA ALA A . n A 1 157 ALA 157 174 174 ALA ALA A . n A 1 158 ALA 158 175 175 ALA ALA A . n A 1 159 LEU 159 176 176 LEU LEU A . n A 1 160 ASN 160 177 177 ASN ASN A . n A 1 161 ALA 161 178 178 ALA ALA A . n A 1 162 THR 162 179 179 THR THR A . n A 1 163 GLY 163 180 180 GLY GLY A . n A 1 164 ARG 164 181 181 ARG ARG A . n A 1 165 PRO 165 182 182 PRO PRO A . n A 1 166 ILE 166 183 183 ILE ILE A . n A 1 167 ALA 167 184 184 ALA ALA A . n A 1 168 PHE 168 185 185 PHE PHE A . n A 1 169 SER 169 186 186 SER SER A . n A 1 170 CYS 170 187 187 CYS CYS A . n A 1 171 SER 171 188 188 SER SER A . n A 1 172 TRP 172 189 189 TRP TRP A . n A 1 173 PRO 173 190 190 PRO PRO A . n A 1 174 ALA 174 191 191 ALA ALA A . n A 1 175 TYR 175 192 192 TYR TYR A . n A 1 176 GLU 176 193 193 GLU GLU A . n A 1 177 GLY 177 194 194 GLY GLY A . n A 1 178 GLY 178 195 195 GLY GLY A . n A 1 179 LEU 179 196 196 LEU LEU A . n A 1 180 PRO 180 197 197 PRO PRO A . n A 1 181 PRO 181 198 198 PRO PRO A . n A 1 182 ARG 182 199 199 ARG ARG A . n A 1 183 VAL 183 200 200 VAL VAL A . n A 1 184 GLN 184 201 201 GLN GLN A . n A 1 185 TYR 185 202 202 TYR TYR A . n A 1 186 SER 186 203 203 SER SER A . n A 1 187 LEU 187 204 204 LEU LEU A . n A 1 188 LEU 188 205 205 LEU LEU A . n A 1 189 ALA 189 206 206 ALA ALA A . n A 1 190 ASP 190 207 207 ASP ASP A . n A 1 191 ILE 191 208 208 ILE ILE A . n A 1 192 CYS 192 209 209 CYS CYS A . n A 1 193 ASN 193 210 210 ASN ASN A . n A 1 194 LEU 194 211 211 LEU LEU A . n A 1 195 TRP 195 212 212 TRP TRP A . n A 1 196 ARG 196 213 213 ARG ARG A . n A 1 197 ASN 197 214 214 ASN ASN A . n A 1 198 TYR 198 215 215 TYR TYR A . n A 1 199 ASP 199 216 216 ASP ASP A . n A 1 200 ASP 200 217 217 ASP ASP A . n A 1 201 ILE 201 218 218 ILE ILE A . n A 1 202 GLN 202 219 219 GLN GLN A . n A 1 203 ASP 203 220 220 ASP ASP A . n A 1 204 SER 204 221 221 SER SER A . n A 1 205 TRP 205 222 222 TRP TRP A . n A 1 206 TRP 206 223 223 TRP TRP A . n A 1 207 SER 207 224 224 SER SER A . n A 1 208 VAL 208 225 225 VAL VAL A . n A 1 209 LEU 209 226 226 LEU LEU A . n A 1 210 SER 210 227 227 SER SER A . n A 1 211 ILE 211 228 228 ILE ILE A . n A 1 212 LEU 212 229 229 LEU LEU A . n A 1 213 ASN 213 230 230 ASN ASN A . n A 1 214 TRP 214 231 231 TRP TRP A . n A 1 215 PHE 215 232 232 PHE PHE A . n A 1 216 VAL 216 233 233 VAL VAL A . n A 1 217 GLU 217 234 234 GLU GLU A . n A 1 218 HIS 218 235 235 HIS HIS A . n A 1 219 GLN 219 236 236 GLN GLN A . n A 1 220 ASP 220 237 237 ASP ASP A . n A 1 221 ILE 221 238 238 ILE ILE A . n A 1 222 LEU 222 239 239 LEU LEU A . n A 1 223 GLN 223 240 240 GLN GLN A . n A 1 224 PRO 224 241 241 PRO PRO A . n A 1 225 VAL 225 242 242 VAL VAL A . n A 1 226 ALA 226 243 243 ALA ALA A . n A 1 227 GLY 227 244 244 GLY GLY A . n A 1 228 PRO 228 245 245 PRO PRO A . n A 1 229 GLY 229 246 246 GLY GLY A . n A 1 230 HIS 230 247 247 HIS HIS A . n A 1 231 TRP 231 248 248 TRP TRP A . n A 1 232 ASN 232 249 249 ASN ASN A . n A 1 233 ASP 233 250 250 ASP ASP A . n A 1 234 PRO 234 251 251 PRO PRO A . n A 1 235 ASP 235 252 252 ASP ASP A . n A 1 236 MET 236 253 253 MET MET A . n A 1 237 LEU 237 254 254 LEU LEU A . n A 1 238 LEU 238 255 255 LEU LEU A . n A 1 239 ILE 239 256 256 ILE ILE A . n A 1 240 GLY 240 257 257 GLY GLY A . n A 1 241 ASN 241 258 258 ASN ASN A . n A 1 242 PHE 242 259 259 PHE PHE A . n A 1 243 GLY 243 260 260 GLY GLY A . n A 1 244 LEU 244 261 261 LEU LEU A . n A 1 245 SER 245 262 262 SER SER A . n A 1 246 LEU 246 263 263 LEU LEU A . n A 1 247 GLU 247 264 264 GLU GLU A . n A 1 248 GLN 248 265 265 GLN GLN A . n A 1 249 SER 249 266 266 SER SER A . n A 1 250 ARG 250 267 267 ARG ARG A . n A 1 251 ALA 251 268 268 ALA ALA A . n A 1 252 GLN 252 269 269 GLN GLN A . n A 1 253 MET 253 270 270 MET MET A . n A 1 254 ALA 254 271 271 ALA ALA A . n A 1 255 LEU 255 272 272 LEU LEU A . n A 1 256 TRP 256 273 273 TRP TRP A . n A 1 257 THR 257 274 274 THR THR A . n A 1 258 VAL 258 275 275 VAL VAL A . n A 1 259 LEU 259 276 276 LEU LEU A . n A 1 260 ALA 260 277 277 ALA ALA A . n A 1 261 ALA 261 278 278 ALA ALA A . n A 1 262 PRO 262 279 279 PRO PRO A . n A 1 263 LEU 263 280 280 LEU LEU A . n A 1 264 LEU 264 281 281 LEU LEU A . n A 1 265 MET 265 282 282 MET MET A . n A 1 266 SER 266 283 283 SER SER A . n A 1 267 THR 267 284 284 THR THR A . n A 1 268 ASP 268 285 285 ASP ASP A . n A 1 269 LEU 269 286 286 LEU LEU A . n A 1 270 ARG 270 287 287 ARG ARG A . n A 1 271 THR 271 288 288 THR THR A . n A 1 272 ILE 272 289 289 ILE ILE A . n A 1 273 SER 273 290 290 SER SER A . n A 1 274 ALA 274 291 291 ALA ALA A . n A 1 275 GLN 275 292 292 GLN GLN A . n A 1 276 ASN 276 293 293 ASN ASN A . n A 1 277 MET 277 294 294 MET MET A . n A 1 278 ASP 278 295 295 ASP ASP A . n A 1 279 ILE 279 296 296 ILE ILE A . n A 1 280 LEU 280 297 297 LEU LEU A . n A 1 281 GLN 281 298 298 GLN GLN A . n A 1 282 ASN 282 299 299 ASN ASN A . n A 1 283 PRO 283 300 300 PRO PRO A . n A 1 284 LEU 284 301 301 LEU LEU A . n A 1 285 MET 285 302 302 MET MET A . n A 1 286 ILE 286 303 303 ILE ILE A . n A 1 287 LYS 287 304 304 LYS LYS A . n A 1 288 ILE 288 305 305 ILE ILE A . n A 1 289 ASN 289 306 306 ASN ASN A . n A 1 290 GLN 290 307 307 GLN GLN A . n A 1 291 ASP 291 308 308 ASP ASP A . n A 1 292 PRO 292 309 309 PRO PRO A . n A 1 293 LEU 293 310 310 LEU LEU A . n A 1 294 GLY 294 311 311 GLY GLY A . n A 1 295 ILE 295 312 312 ILE ILE A . n A 1 296 GLN 296 313 313 GLN GLN A . n A 1 297 GLY 297 314 314 GLY GLY A . n A 1 298 ARG 298 315 315 ARG ARG A . n A 1 299 ARG 299 316 316 ARG ARG A . n A 1 300 ILE 300 317 317 ILE ILE A . n A 1 301 HIS 301 318 318 HIS HIS A . n A 1 302 LYS 302 319 319 LYS LYS A . n A 1 303 GLU 303 320 320 GLU GLU A . n A 1 304 LYS 304 321 321 LYS LYS A . n A 1 305 SER 305 322 322 SER SER A . n A 1 306 LEU 306 323 323 LEU LEU A . n A 1 307 ILE 307 324 324 ILE ILE A . n A 1 308 GLU 308 325 325 GLU GLU A . n A 1 309 VAL 309 326 326 VAL VAL A . n A 1 310 TYR 310 327 327 TYR TYR A . n A 1 311 MET 311 328 328 MET MET A . n A 1 312 ARG 312 329 329 ARG ARG A . n A 1 313 PRO 313 330 330 PRO PRO A . n A 1 314 LEU 314 331 331 LEU LEU A . n A 1 315 SER 315 332 332 SER SER A . n A 1 316 ASN 316 333 333 ASN ASN A . n A 1 317 LYS 317 334 334 LYS LYS A . n A 1 318 ALA 318 335 335 ALA ALA A . n A 1 319 SER 319 336 336 SER SER A . n A 1 320 ALA 320 337 337 ALA ALA A . n A 1 321 LEU 321 338 338 LEU LEU A . n A 1 322 VAL 322 339 339 VAL VAL A . n A 1 323 PHE 323 340 340 PHE PHE A . n A 1 324 PHE 324 341 341 PHE PHE A . n A 1 325 SER 325 342 342 SER SER A . n A 1 326 CYS 326 343 343 CYS CYS A . n A 1 327 ARG 327 344 344 ARG ARG A . n A 1 328 THR 328 345 345 THR THR A . n A 1 329 ASP 329 346 346 ASP ASP A . n A 1 330 MET 330 347 347 MET MET A . n A 1 331 PRO 331 348 348 PRO PRO A . n A 1 332 TYR 332 349 349 TYR TYR A . n A 1 333 ARG 333 350 350 ARG ARG A . n A 1 334 TYR 334 351 351 TYR TYR A . n A 1 335 HIS 335 352 352 HIS HIS A . n A 1 336 SER 336 353 353 SER SER A . n A 1 337 SER 337 354 354 SER SER A . n A 1 338 LEU 338 355 355 LEU LEU A . n A 1 339 GLY 339 356 356 GLY GLY A . n A 1 340 GLN 340 357 357 GLN GLN A . n A 1 341 LEU 341 358 358 LEU LEU A . n A 1 342 ASN 342 359 359 ASN ASN A . n A 1 343 PHE 343 360 360 PHE PHE A . n A 1 344 THR 344 361 361 THR THR A . n A 1 345 GLY 345 362 362 GLY GLY A . n A 1 346 SER 346 363 363 SER SER A . n A 1 347 VAL 347 364 364 VAL VAL A . n A 1 348 ILE 348 365 365 ILE ILE A . n A 1 349 TYR 349 366 366 TYR TYR A . n A 1 350 GLU 350 367 367 GLU GLU A . n A 1 351 ALA 351 368 368 ALA ALA A . n A 1 352 GLN 352 369 369 GLN GLN A . n A 1 353 ASP 353 370 370 ASP ASP A . n A 1 354 VAL 354 371 371 VAL VAL A . n A 1 355 TYR 355 372 372 TYR TYR A . n A 1 356 SER 356 373 373 SER SER A . n A 1 357 GLY 357 374 374 GLY GLY A . n A 1 358 ASP 358 375 375 ASP ASP A . n A 1 359 ILE 359 376 376 ILE ILE A . n A 1 360 ILE 360 377 377 ILE ILE A . n A 1 361 SER 361 378 378 SER SER A . n A 1 362 GLY 362 379 379 GLY GLY A . n A 1 363 LEU 363 380 380 LEU LEU A . n A 1 364 ARG 364 381 381 ARG ARG A . n A 1 365 ASP 365 382 382 ASP ASP A . n A 1 366 GLU 366 383 383 GLU GLU A . n A 1 367 THR 367 384 384 THR THR A . n A 1 368 ASN 368 385 385 ASN ASN A . n A 1 369 PHE 369 386 386 PHE PHE A . n A 1 370 THR 370 387 387 THR THR A . n A 1 371 VAL 371 388 388 VAL VAL A . n A 1 372 ILE 372 389 389 ILE ILE A . n A 1 373 ILE 373 390 390 ILE ILE A . n A 1 374 ASN 374 391 391 ASN ASN A . n A 1 375 PRO 375 392 392 PRO PRO A . n A 1 376 SER 376 393 393 SER SER A . n A 1 377 GLY 377 394 394 GLY GLY A . n A 1 378 VAL 378 395 395 VAL VAL A . n A 1 379 VAL 379 396 396 VAL VAL A . n A 1 380 MET 380 397 397 MET MET A . n A 1 381 TRP 381 398 398 TRP TRP A . n A 1 382 TYR 382 399 399 TYR TYR A . n A 1 383 LEU 383 400 400 LEU LEU A . n A 1 384 TYR 384 401 401 TYR TYR A . n A 1 385 PRO 385 402 402 PRO PRO A . n A 1 386 ILE 386 403 403 ILE ILE A . n A 1 387 LYS 387 404 404 LYS LYS A . n A 1 388 ASN 388 405 ? ? ? A . n A 1 389 LEU 389 406 ? ? ? A . n A 1 390 GLU 390 407 ? ? ? A . n A 1 391 MET 391 408 ? ? ? A . n A 1 392 SER 392 409 ? ? ? A . n A 1 393 GLN 393 410 ? ? ? A . n A 1 394 GLN 394 411 ? ? ? A . n A 1 395 HIS 395 412 ? ? ? A . n A 1 396 HIS 396 413 ? ? ? A . n A 1 397 HIS 397 414 ? ? ? A . n A 1 398 HIS 398 415 ? ? ? A . n A 1 399 HIS 399 416 ? ? ? A . n A 1 400 HIS 400 417 ? ? ? A . n B 1 1 LEU 1 18 18 LEU LEU B . n B 1 2 ASP 2 19 19 ASP ASP B . n B 1 3 ASN 3 20 20 ASN ASN B . n B 1 4 GLY 4 21 21 GLY GLY B . n B 1 5 LEU 5 22 22 LEU LEU B . n B 1 6 LEU 6 23 23 LEU LEU B . n B 1 7 GLN 7 24 24 GLN GLN B . n B 1 8 THR 8 25 25 THR THR B . n B 1 9 PRO 9 26 26 PRO PRO B . n B 1 10 PRO 10 27 27 PRO PRO B . n B 1 11 MET 11 28 28 MET MET B . n B 1 12 GLY 12 29 29 GLY GLY B . n B 1 13 TRP 13 30 30 TRP TRP B . n B 1 14 LEU 14 31 31 LEU LEU B . n B 1 15 ALA 15 32 32 ALA ALA B . n B 1 16 TRP 16 33 33 TRP TRP B . n B 1 17 GLU 17 34 34 GLU GLU B . n B 1 18 ARG 18 35 35 ARG ARG B . n B 1 19 PHE 19 36 36 PHE PHE B . n B 1 20 ARG 20 37 37 ARG ARG B . n B 1 21 CYS 21 38 38 CYS CYS B . n B 1 22 ASN 22 39 39 ASN ASN B . n B 1 23 ILE 23 40 40 ILE ILE B . n B 1 24 ASN 24 41 41 ASN ASN B . n B 1 25 CYS 25 42 42 CYS CYS B . n B 1 26 ASP 26 43 43 ASP ASP B . n B 1 27 GLU 27 44 44 GLU GLU B . n B 1 28 ASP 28 45 45 ASP ASP B . n B 1 29 PRO 29 46 46 PRO PRO B . n B 1 30 LYS 30 47 47 LYS LYS B . n B 1 31 ASN 31 48 48 ASN ASN B . n B 1 32 CYS 32 49 49 CYS CYS B . n B 1 33 ILE 33 50 50 ILE ILE B . n B 1 34 SER 34 51 51 SER SER B . n B 1 35 GLU 35 52 52 GLU GLU B . n B 1 36 GLN 36 53 53 GLN GLN B . n B 1 37 LEU 37 54 54 LEU LEU B . n B 1 38 PHE 38 55 55 PHE PHE B . n B 1 39 MET 39 56 56 MET MET B . n B 1 40 GLU 40 57 57 GLU GLU B . n B 1 41 MET 41 58 58 MET MET B . n B 1 42 ALA 42 59 59 ALA ALA B . n B 1 43 ASP 43 60 60 ASP ASP B . n B 1 44 ARG 44 61 61 ARG ARG B . n B 1 45 MET 45 62 62 MET MET B . n B 1 46 ALA 46 63 63 ALA ALA B . n B 1 47 GLN 47 64 64 GLN GLN B . n B 1 48 ASP 48 65 65 ASP ASP B . n B 1 49 GLY 49 66 66 GLY GLY B . n B 1 50 TRP 50 67 67 TRP TRP B . n B 1 51 ARG 51 68 68 ARG ARG B . n B 1 52 ASP 52 69 69 ASP ASP B . n B 1 53 MET 53 70 70 MET MET B . n B 1 54 GLY 54 71 71 GLY GLY B . n B 1 55 TYR 55 72 72 TYR TYR B . n B 1 56 THR 56 73 73 THR THR B . n B 1 57 TYR 57 74 74 TYR TYR B . n B 1 58 LEU 58 75 75 LEU LEU B . n B 1 59 ASN 59 76 76 ASN ASN B . n B 1 60 ILE 60 77 77 ILE ILE B . n B 1 61 ASP 61 78 78 ASP ASP B . n B 1 62 ASP 62 79 79 ASP ASP B . n B 1 63 CYS 63 80 80 CYS CYS B . n B 1 64 TRP 64 81 81 TRP TRP B . n B 1 65 ILE 65 82 82 ILE ILE B . n B 1 66 GLY 66 83 83 GLY GLY B . n B 1 67 GLY 67 84 84 GLY GLY B . n B 1 68 ARG 68 85 85 ARG ARG B . n B 1 69 ASP 69 86 86 ASP ASP B . n B 1 70 ALA 70 87 87 ALA ALA B . n B 1 71 SER 71 88 88 SER SER B . n B 1 72 GLY 72 89 89 GLY GLY B . n B 1 73 ARG 73 90 90 ARG ARG B . n B 1 74 LEU 74 91 91 LEU LEU B . n B 1 75 MET 75 92 92 MET MET B . n B 1 76 PRO 76 93 93 PRO PRO B . n B 1 77 ASP 77 94 94 ASP ASP B . n B 1 78 PRO 78 95 95 PRO PRO B . n B 1 79 LYS 79 96 96 LYS LYS B . n B 1 80 ARG 80 97 97 ARG ARG B . n B 1 81 PHE 81 98 98 PHE PHE B . n B 1 82 PRO 82 99 99 PRO PRO B . n B 1 83 HIS 83 100 100 HIS HIS B . n B 1 84 GLY 84 101 101 GLY GLY B . n B 1 85 ILE 85 102 102 ILE ILE B . n B 1 86 PRO 86 103 103 PRO PRO B . n B 1 87 PHE 87 104 104 PHE PHE B . n B 1 88 LEU 88 105 105 LEU LEU B . n B 1 89 ALA 89 106 106 ALA ALA B . n B 1 90 ASP 90 107 107 ASP ASP B . n B 1 91 TYR 91 108 108 TYR TYR B . n B 1 92 VAL 92 109 109 VAL VAL B . n B 1 93 HIS 93 110 110 HIS HIS B . n B 1 94 SER 94 111 111 SER SER B . n B 1 95 LEU 95 112 112 LEU LEU B . n B 1 96 GLY 96 113 113 GLY GLY B . n B 1 97 LEU 97 114 114 LEU LEU B . n B 1 98 LYS 98 115 115 LYS LYS B . n B 1 99 LEU 99 116 116 LEU LEU B . n B 1 100 GLY 100 117 117 GLY GLY B . n B 1 101 ILE 101 118 118 ILE ILE B . n B 1 102 TYR 102 119 119 TYR TYR B . n B 1 103 ALA 103 120 120 ALA ALA B . n B 1 104 ASP 104 121 121 ASP ASP B . n B 1 105 MET 105 122 122 MET MET B . n B 1 106 GLY 106 123 123 GLY GLY B . n B 1 107 ASN 107 124 124 ASN ASN B . n B 1 108 PHE 108 125 125 PHE PHE B . n B 1 109 THR 109 126 126 THR THR B . n B 1 110 CYS 110 127 127 CYS CYS B . n B 1 111 MET 111 128 128 MET MET B . n B 1 112 GLY 112 129 129 GLY GLY B . n B 1 113 TYR 113 130 130 TYR TYR B . n B 1 114 PRO 114 131 131 PRO PRO B . n B 1 115 GLY 115 132 132 GLY GLY B . n B 1 116 THR 116 133 133 THR THR B . n B 1 117 THR 117 134 134 THR THR B . n B 1 118 LEU 118 135 135 LEU LEU B . n B 1 119 ASP 119 136 136 ASP ASP B . n B 1 120 LYS 120 137 137 LYS LYS B . n B 1 121 VAL 121 138 138 VAL VAL B . n B 1 122 VAL 122 139 139 VAL VAL B . n B 1 123 GLN 123 140 140 GLN GLN B . n B 1 124 ASP 124 141 141 ASP ASP B . n B 1 125 ALA 125 142 142 ALA ALA B . n B 1 126 GLN 126 143 143 GLN GLN B . n B 1 127 THR 127 144 144 THR THR B . n B 1 128 PHE 128 145 145 PHE PHE B . n B 1 129 ALA 129 146 146 ALA ALA B . n B 1 130 GLU 130 147 147 GLU GLU B . n B 1 131 TRP 131 148 148 TRP TRP B . n B 1 132 LYS 132 149 149 LYS LYS B . n B 1 133 VAL 133 150 150 VAL VAL B . n B 1 134 ASP 134 151 151 ASP ASP B . n B 1 135 MET 135 152 152 MET MET B . n B 1 136 LEU 136 153 153 LEU LEU B . n B 1 137 LYS 137 154 154 LYS LYS B . n B 1 138 LEU 138 155 155 LEU LEU B . n B 1 139 ASP 139 156 156 ASP ASP B . n B 1 140 GLY 140 157 157 GLY GLY B . n B 1 141 CYS 141 158 158 CYS CYS B . n B 1 142 PHE 142 159 159 PHE PHE B . n B 1 143 SER 143 160 160 SER SER B . n B 1 144 THR 144 161 161 THR THR B . n B 1 145 PRO 145 162 162 PRO PRO B . n B 1 146 GLU 146 163 163 GLU GLU B . n B 1 147 GLU 147 164 164 GLU GLU B . n B 1 148 ARG 148 165 165 ARG ARG B . n B 1 149 ALA 149 166 166 ALA ALA B . n B 1 150 GLN 150 167 167 GLN GLN B . n B 1 151 GLY 151 168 168 GLY GLY B . n B 1 152 TYR 152 169 169 TYR TYR B . n B 1 153 PRO 153 170 170 PRO PRO B . n B 1 154 LYS 154 171 171 LYS LYS B . n B 1 155 MET 155 172 172 MET MET B . n B 1 156 ALA 156 173 173 ALA ALA B . n B 1 157 ALA 157 174 174 ALA ALA B . n B 1 158 ALA 158 175 175 ALA ALA B . n B 1 159 LEU 159 176 176 LEU LEU B . n B 1 160 ASN 160 177 177 ASN ASN B . n B 1 161 ALA 161 178 178 ALA ALA B . n B 1 162 THR 162 179 179 THR THR B . n B 1 163 GLY 163 180 180 GLY GLY B . n B 1 164 ARG 164 181 181 ARG ARG B . n B 1 165 PRO 165 182 182 PRO PRO B . n B 1 166 ILE 166 183 183 ILE ILE B . n B 1 167 ALA 167 184 184 ALA ALA B . n B 1 168 PHE 168 185 185 PHE PHE B . n B 1 169 SER 169 186 186 SER SER B . n B 1 170 CYS 170 187 187 CYS CYS B . n B 1 171 SER 171 188 188 SER SER B . n B 1 172 TRP 172 189 189 TRP TRP B . n B 1 173 PRO 173 190 190 PRO PRO B . n B 1 174 ALA 174 191 191 ALA ALA B . n B 1 175 TYR 175 192 192 TYR TYR B . n B 1 176 GLU 176 193 193 GLU GLU B . n B 1 177 GLY 177 194 194 GLY GLY B . n B 1 178 GLY 178 195 195 GLY GLY B . n B 1 179 LEU 179 196 196 LEU LEU B . n B 1 180 PRO 180 197 197 PRO PRO B . n B 1 181 PRO 181 198 198 PRO PRO B . n B 1 182 ARG 182 199 199 ARG ARG B . n B 1 183 VAL 183 200 200 VAL VAL B . n B 1 184 GLN 184 201 201 GLN GLN B . n B 1 185 TYR 185 202 202 TYR TYR B . n B 1 186 SER 186 203 203 SER SER B . n B 1 187 LEU 187 204 204 LEU LEU B . n B 1 188 LEU 188 205 205 LEU LEU B . n B 1 189 ALA 189 206 206 ALA ALA B . n B 1 190 ASP 190 207 207 ASP ASP B . n B 1 191 ILE 191 208 208 ILE ILE B . n B 1 192 CYS 192 209 209 CYS CYS B . n B 1 193 ASN 193 210 210 ASN ASN B . n B 1 194 LEU 194 211 211 LEU LEU B . n B 1 195 TRP 195 212 212 TRP TRP B . n B 1 196 ARG 196 213 213 ARG ARG B . n B 1 197 ASN 197 214 214 ASN ASN B . n B 1 198 TYR 198 215 215 TYR TYR B . n B 1 199 ASP 199 216 216 ASP ASP B . n B 1 200 ASP 200 217 217 ASP ASP B . n B 1 201 ILE 201 218 218 ILE ILE B . n B 1 202 GLN 202 219 219 GLN GLN B . n B 1 203 ASP 203 220 220 ASP ASP B . n B 1 204 SER 204 221 221 SER SER B . n B 1 205 TRP 205 222 222 TRP TRP B . n B 1 206 TRP 206 223 223 TRP TRP B . n B 1 207 SER 207 224 224 SER SER B . n B 1 208 VAL 208 225 225 VAL VAL B . n B 1 209 LEU 209 226 226 LEU LEU B . n B 1 210 SER 210 227 227 SER SER B . n B 1 211 ILE 211 228 228 ILE ILE B . n B 1 212 LEU 212 229 229 LEU LEU B . n B 1 213 ASN 213 230 230 ASN ASN B . n B 1 214 TRP 214 231 231 TRP TRP B . n B 1 215 PHE 215 232 232 PHE PHE B . n B 1 216 VAL 216 233 233 VAL VAL B . n B 1 217 GLU 217 234 234 GLU GLU B . n B 1 218 HIS 218 235 235 HIS HIS B . n B 1 219 GLN 219 236 236 GLN GLN B . n B 1 220 ASP 220 237 237 ASP ASP B . n B 1 221 ILE 221 238 238 ILE ILE B . n B 1 222 LEU 222 239 239 LEU LEU B . n B 1 223 GLN 223 240 240 GLN GLN B . n B 1 224 PRO 224 241 241 PRO PRO B . n B 1 225 VAL 225 242 242 VAL VAL B . n B 1 226 ALA 226 243 243 ALA ALA B . n B 1 227 GLY 227 244 244 GLY GLY B . n B 1 228 PRO 228 245 245 PRO PRO B . n B 1 229 GLY 229 246 246 GLY GLY B . n B 1 230 HIS 230 247 247 HIS HIS B . n B 1 231 TRP 231 248 248 TRP TRP B . n B 1 232 ASN 232 249 249 ASN ASN B . n B 1 233 ASP 233 250 250 ASP ASP B . n B 1 234 PRO 234 251 251 PRO PRO B . n B 1 235 ASP 235 252 252 ASP ASP B . n B 1 236 MET 236 253 253 MET MET B . n B 1 237 LEU 237 254 254 LEU LEU B . n B 1 238 LEU 238 255 255 LEU LEU B . n B 1 239 ILE 239 256 256 ILE ILE B . n B 1 240 GLY 240 257 257 GLY GLY B . n B 1 241 ASN 241 258 258 ASN ASN B . n B 1 242 PHE 242 259 259 PHE PHE B . n B 1 243 GLY 243 260 260 GLY GLY B . n B 1 244 LEU 244 261 261 LEU LEU B . n B 1 245 SER 245 262 262 SER SER B . n B 1 246 LEU 246 263 263 LEU LEU B . n B 1 247 GLU 247 264 264 GLU GLU B . n B 1 248 GLN 248 265 265 GLN GLN B . n B 1 249 SER 249 266 266 SER SER B . n B 1 250 ARG 250 267 267 ARG ARG B . n B 1 251 ALA 251 268 268 ALA ALA B . n B 1 252 GLN 252 269 269 GLN GLN B . n B 1 253 MET 253 270 270 MET MET B . n B 1 254 ALA 254 271 271 ALA ALA B . n B 1 255 LEU 255 272 272 LEU LEU B . n B 1 256 TRP 256 273 273 TRP TRP B . n B 1 257 THR 257 274 274 THR THR B . n B 1 258 VAL 258 275 275 VAL VAL B . n B 1 259 LEU 259 276 276 LEU LEU B . n B 1 260 ALA 260 277 277 ALA ALA B . n B 1 261 ALA 261 278 278 ALA ALA B . n B 1 262 PRO 262 279 279 PRO PRO B . n B 1 263 LEU 263 280 280 LEU LEU B . n B 1 264 LEU 264 281 281 LEU LEU B . n B 1 265 MET 265 282 282 MET MET B . n B 1 266 SER 266 283 283 SER SER B . n B 1 267 THR 267 284 284 THR THR B . n B 1 268 ASP 268 285 285 ASP ASP B . n B 1 269 LEU 269 286 286 LEU LEU B . n B 1 270 ARG 270 287 287 ARG ARG B . n B 1 271 THR 271 288 288 THR THR B . n B 1 272 ILE 272 289 289 ILE ILE B . n B 1 273 SER 273 290 290 SER SER B . n B 1 274 ALA 274 291 291 ALA ALA B . n B 1 275 GLN 275 292 292 GLN GLN B . n B 1 276 ASN 276 293 293 ASN ASN B . n B 1 277 MET 277 294 294 MET MET B . n B 1 278 ASP 278 295 295 ASP ASP B . n B 1 279 ILE 279 296 296 ILE ILE B . n B 1 280 LEU 280 297 297 LEU LEU B . n B 1 281 GLN 281 298 298 GLN GLN B . n B 1 282 ASN 282 299 299 ASN ASN B . n B 1 283 PRO 283 300 300 PRO PRO B . n B 1 284 LEU 284 301 301 LEU LEU B . n B 1 285 MET 285 302 302 MET MET B . n B 1 286 ILE 286 303 303 ILE ILE B . n B 1 287 LYS 287 304 304 LYS LYS B . n B 1 288 ILE 288 305 305 ILE ILE B . n B 1 289 ASN 289 306 306 ASN ASN B . n B 1 290 GLN 290 307 307 GLN GLN B . n B 1 291 ASP 291 308 308 ASP ASP B . n B 1 292 PRO 292 309 309 PRO PRO B . n B 1 293 LEU 293 310 310 LEU LEU B . n B 1 294 GLY 294 311 311 GLY GLY B . n B 1 295 ILE 295 312 312 ILE ILE B . n B 1 296 GLN 296 313 313 GLN GLN B . n B 1 297 GLY 297 314 314 GLY GLY B . n B 1 298 ARG 298 315 315 ARG ARG B . n B 1 299 ARG 299 316 316 ARG ARG B . n B 1 300 ILE 300 317 317 ILE ILE B . n B 1 301 HIS 301 318 318 HIS HIS B . n B 1 302 LYS 302 319 319 LYS LYS B . n B 1 303 GLU 303 320 320 GLU GLU B . n B 1 304 LYS 304 321 321 LYS LYS B . n B 1 305 SER 305 322 322 SER SER B . n B 1 306 LEU 306 323 323 LEU LEU B . n B 1 307 ILE 307 324 324 ILE ILE B . n B 1 308 GLU 308 325 325 GLU GLU B . n B 1 309 VAL 309 326 326 VAL VAL B . n B 1 310 TYR 310 327 327 TYR TYR B . n B 1 311 MET 311 328 328 MET MET B . n B 1 312 ARG 312 329 329 ARG ARG B . n B 1 313 PRO 313 330 330 PRO PRO B . n B 1 314 LEU 314 331 331 LEU LEU B . n B 1 315 SER 315 332 332 SER SER B . n B 1 316 ASN 316 333 333 ASN ASN B . n B 1 317 LYS 317 334 334 LYS LYS B . n B 1 318 ALA 318 335 335 ALA ALA B . n B 1 319 SER 319 336 336 SER SER B . n B 1 320 ALA 320 337 337 ALA ALA B . n B 1 321 LEU 321 338 338 LEU LEU B . n B 1 322 VAL 322 339 339 VAL VAL B . n B 1 323 PHE 323 340 340 PHE PHE B . n B 1 324 PHE 324 341 341 PHE PHE B . n B 1 325 SER 325 342 342 SER SER B . n B 1 326 CYS 326 343 343 CYS CYS B . n B 1 327 ARG 327 344 344 ARG ARG B . n B 1 328 THR 328 345 345 THR THR B . n B 1 329 ASP 329 346 346 ASP ASP B . n B 1 330 MET 330 347 347 MET MET B . n B 1 331 PRO 331 348 348 PRO PRO B . n B 1 332 TYR 332 349 349 TYR TYR B . n B 1 333 ARG 333 350 350 ARG ARG B . n B 1 334 TYR 334 351 351 TYR TYR B . n B 1 335 HIS 335 352 352 HIS HIS B . n B 1 336 SER 336 353 353 SER SER B . n B 1 337 SER 337 354 354 SER SER B . n B 1 338 LEU 338 355 355 LEU LEU B . n B 1 339 GLY 339 356 356 GLY GLY B . n B 1 340 GLN 340 357 357 GLN GLN B . n B 1 341 LEU 341 358 358 LEU LEU B . n B 1 342 ASN 342 359 359 ASN ASN B . n B 1 343 PHE 343 360 360 PHE PHE B . n B 1 344 THR 344 361 361 THR THR B . n B 1 345 GLY 345 362 362 GLY GLY B . n B 1 346 SER 346 363 363 SER SER B . n B 1 347 VAL 347 364 364 VAL VAL B . n B 1 348 ILE 348 365 365 ILE ILE B . n B 1 349 TYR 349 366 366 TYR TYR B . n B 1 350 GLU 350 367 367 GLU GLU B . n B 1 351 ALA 351 368 368 ALA ALA B . n B 1 352 GLN 352 369 369 GLN GLN B . n B 1 353 ASP 353 370 370 ASP ASP B . n B 1 354 VAL 354 371 371 VAL VAL B . n B 1 355 TYR 355 372 372 TYR TYR B . n B 1 356 SER 356 373 373 SER SER B . n B 1 357 GLY 357 374 374 GLY GLY B . n B 1 358 ASP 358 375 375 ASP ASP B . n B 1 359 ILE 359 376 376 ILE ILE B . n B 1 360 ILE 360 377 377 ILE ILE B . n B 1 361 SER 361 378 378 SER SER B . n B 1 362 GLY 362 379 379 GLY GLY B . n B 1 363 LEU 363 380 380 LEU LEU B . n B 1 364 ARG 364 381 381 ARG ARG B . n B 1 365 ASP 365 382 382 ASP ASP B . n B 1 366 GLU 366 383 383 GLU GLU B . n B 1 367 THR 367 384 384 THR THR B . n B 1 368 ASN 368 385 385 ASN ASN B . n B 1 369 PHE 369 386 386 PHE PHE B . n B 1 370 THR 370 387 387 THR THR B . n B 1 371 VAL 371 388 388 VAL VAL B . n B 1 372 ILE 372 389 389 ILE ILE B . n B 1 373 ILE 373 390 390 ILE ILE B . n B 1 374 ASN 374 391 391 ASN ASN B . n B 1 375 PRO 375 392 392 PRO PRO B . n B 1 376 SER 376 393 393 SER SER B . n B 1 377 GLY 377 394 394 GLY GLY B . n B 1 378 VAL 378 395 395 VAL VAL B . n B 1 379 VAL 379 396 396 VAL VAL B . n B 1 380 MET 380 397 397 MET MET B . n B 1 381 TRP 381 398 398 TRP TRP B . n B 1 382 TYR 382 399 399 TYR TYR B . n B 1 383 LEU 383 400 400 LEU LEU B . n B 1 384 TYR 384 401 401 TYR TYR B . n B 1 385 PRO 385 402 402 PRO PRO B . n B 1 386 ILE 386 403 403 ILE ILE B . n B 1 387 LYS 387 404 404 LYS LYS B . n B 1 388 ASN 388 405 405 ASN ASN B . n B 1 389 LEU 389 406 406 LEU LEU B . n B 1 390 GLU 390 407 407 GLU GLU B . n B 1 391 MET 391 408 408 MET MET B . n B 1 392 SER 392 409 409 SER SER B . n B 1 393 GLN 393 410 410 GLN GLN B . n B 1 394 GLN 394 411 411 GLN GLN B . n B 1 395 HIS 395 412 412 HIS HIS B . n B 1 396 HIS 396 413 413 HIS HIS B . n B 1 397 HIS 397 414 414 HIS HIS B . n B 1 398 HIS 398 415 415 HIS HIS B . n B 1 399 HIS 399 416 416 HIS HIS B . n B 1 400 HIS 400 417 417 HIS HIS B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 501 624 NAG NAG A . D 2 NAG 2 502 625 NAG NAG A . E 2 NAG 1 503 677 NAG NAG A . F 2 NAG 2 504 678 NAG NAG A . G 3 BMA 3 505 679 BMA BMA A . H 4 MAN 4 506 680 MAN MAN A . I 4 MAN 5 507 681 MAN MAN A . J 2 NAG 1 508 885 NAG NAG A . K 5 DGJ 1 509 1000 DGJ DGJ A . L 6 CIT 1 510 1003 CIT CIT A . M 7 GOL 1 511 1004 GOL GOL A . N 7 GOL 1 512 1005 GOL GOL A . O 7 GOL 1 513 1006 GOL GOL A . P 7 GOL 1 514 1007 GOL GOL A . Q 7 GOL 1 515 1008 GOL GOL A . R 7 GOL 1 516 1010 GOL GOL A . S 7 GOL 1 517 1012 GOL GOL A . T 7 GOL 1 518 2009 GOL GOL A . U 2 NAG 1 501 624 NAG NAG B . V 2 NAG 2 502 625 NAG NAG B . W 2 NAG 1 503 677 NAG NAG B . X 2 NAG 2 504 678 NAG NAG B . Y 3 BMA 3 505 679 BMA BMA B . Z 4 MAN 4 506 680 MAN MAN B . AA 4 MAN 5 507 681 MAN MAN B . BA 2 NAG 1 508 885 NAG NAG B . CA 5 DGJ 1 509 2000 DGJ DGJ B . DA 6 CIT 1 510 2003 CIT CIT B . EA 7 GOL 1 511 2004 GOL GOL B . FA 7 GOL 1 512 2005 GOL GOL B . GA 7 GOL 1 513 2006 GOL GOL B . HA 7 GOL 1 514 2007 GOL GOL B . IA 7 GOL 1 515 2008 GOL GOL B . JA 7 GOL 1 516 2011 GOL GOL B . KA 8 HOH 1 601 1 HOH HOH A . KA 8 HOH 2 602 3 HOH HOH A . KA 8 HOH 3 603 4 HOH HOH A . KA 8 HOH 4 604 5 HOH HOH A . KA 8 HOH 5 605 6 HOH HOH A . KA 8 HOH 6 606 7 HOH HOH A . KA 8 HOH 7 607 11 HOH HOH A . KA 8 HOH 8 608 12 HOH HOH A . KA 8 HOH 9 609 14 HOH HOH A . KA 8 HOH 10 610 15 HOH HOH A . KA 8 HOH 11 611 16 HOH HOH A . KA 8 HOH 12 612 17 HOH HOH A . KA 8 HOH 13 613 19 HOH HOH A . KA 8 HOH 14 614 20 HOH HOH A . KA 8 HOH 15 615 21 HOH HOH A . KA 8 HOH 16 616 23 HOH HOH A . KA 8 HOH 17 617 24 HOH HOH A . KA 8 HOH 18 618 25 HOH HOH A . KA 8 HOH 19 619 27 HOH HOH A . KA 8 HOH 20 620 29 HOH HOH A . KA 8 HOH 21 621 30 HOH HOH A . KA 8 HOH 22 622 33 HOH HOH A . KA 8 HOH 23 623 35 HOH HOH A . KA 8 HOH 24 624 36 HOH HOH A . KA 8 HOH 25 625 38 HOH HOH A . KA 8 HOH 26 626 40 HOH HOH A . KA 8 HOH 27 627 41 HOH HOH A . KA 8 HOH 28 628 45 HOH HOH A . KA 8 HOH 29 629 46 HOH HOH A . KA 8 HOH 30 630 47 HOH HOH A . KA 8 HOH 31 631 49 HOH HOH A . KA 8 HOH 32 632 50 HOH HOH A . KA 8 HOH 33 633 51 HOH HOH A . KA 8 HOH 34 634 53 HOH HOH A . KA 8 HOH 35 635 54 HOH HOH A . KA 8 HOH 36 636 56 HOH HOH A . KA 8 HOH 37 637 57 HOH HOH A . KA 8 HOH 38 638 58 HOH HOH A . KA 8 HOH 39 639 59 HOH HOH A . KA 8 HOH 40 640 60 HOH HOH A . KA 8 HOH 41 641 62 HOH HOH A . KA 8 HOH 42 642 63 HOH HOH A . KA 8 HOH 43 643 65 HOH HOH A . KA 8 HOH 44 644 66 HOH HOH A . KA 8 HOH 45 645 67 HOH HOH A . KA 8 HOH 46 646 68 HOH HOH A . KA 8 HOH 47 647 69 HOH HOH A . KA 8 HOH 48 648 70 HOH HOH A . KA 8 HOH 49 649 71 HOH HOH A . KA 8 HOH 50 650 72 HOH HOH A . KA 8 HOH 51 651 76 HOH HOH A . KA 8 HOH 52 652 77 HOH HOH A . KA 8 HOH 53 653 78 HOH HOH A . KA 8 HOH 54 654 80 HOH HOH A . KA 8 HOH 55 655 81 HOH HOH A . KA 8 HOH 56 656 84 HOH HOH A . KA 8 HOH 57 657 85 HOH HOH A . KA 8 HOH 58 658 87 HOH HOH A . KA 8 HOH 59 659 88 HOH HOH A . KA 8 HOH 60 660 89 HOH HOH A . KA 8 HOH 61 661 90 HOH HOH A . KA 8 HOH 62 662 92 HOH HOH A . KA 8 HOH 63 663 93 HOH HOH A . KA 8 HOH 64 664 94 HOH HOH A . KA 8 HOH 65 665 95 HOH HOH A . KA 8 HOH 66 666 96 HOH HOH A . KA 8 HOH 67 667 97 HOH HOH A . KA 8 HOH 68 668 98 HOH HOH A . KA 8 HOH 69 669 99 HOH HOH A . KA 8 HOH 70 670 100 HOH HOH A . KA 8 HOH 71 671 102 HOH HOH A . KA 8 HOH 72 672 104 HOH HOH A . KA 8 HOH 73 673 105 HOH HOH A . KA 8 HOH 74 674 106 HOH HOH A . KA 8 HOH 75 675 107 HOH HOH A . KA 8 HOH 76 676 108 HOH HOH A . KA 8 HOH 77 677 109 HOH HOH A . KA 8 HOH 78 678 110 HOH HOH A . KA 8 HOH 79 679 111 HOH HOH A . KA 8 HOH 80 680 112 HOH HOH A . KA 8 HOH 81 681 113 HOH HOH A . KA 8 HOH 82 682 114 HOH HOH A . KA 8 HOH 83 683 115 HOH HOH A . KA 8 HOH 84 684 116 HOH HOH A . KA 8 HOH 85 685 118 HOH HOH A . KA 8 HOH 86 686 123 HOH HOH A . KA 8 HOH 87 687 130 HOH HOH A . KA 8 HOH 88 688 131 HOH HOH A . KA 8 HOH 89 689 133 HOH HOH A . KA 8 HOH 90 690 134 HOH HOH A . KA 8 HOH 91 691 135 HOH HOH A . KA 8 HOH 92 692 140 HOH HOH A . KA 8 HOH 93 693 142 HOH HOH A . KA 8 HOH 94 694 143 HOH HOH A . KA 8 HOH 95 695 144 HOH HOH A . KA 8 HOH 96 696 145 HOH HOH A . KA 8 HOH 97 697 146 HOH HOH A . KA 8 HOH 98 698 148 HOH HOH A . KA 8 HOH 99 699 149 HOH HOH A . KA 8 HOH 100 700 150 HOH HOH A . KA 8 HOH 101 701 156 HOH HOH A . KA 8 HOH 102 702 158 HOH HOH A . KA 8 HOH 103 703 159 HOH HOH A . KA 8 HOH 104 704 162 HOH HOH A . KA 8 HOH 105 705 163 HOH HOH A . KA 8 HOH 106 706 165 HOH HOH A . KA 8 HOH 107 707 167 HOH HOH A . KA 8 HOH 108 708 172 HOH HOH A . KA 8 HOH 109 709 173 HOH HOH A . KA 8 HOH 110 710 174 HOH HOH A . KA 8 HOH 111 711 177 HOH HOH A . KA 8 HOH 112 712 180 HOH HOH A . KA 8 HOH 113 713 183 HOH HOH A . KA 8 HOH 114 714 189 HOH HOH A . KA 8 HOH 115 715 190 HOH HOH A . KA 8 HOH 116 716 191 HOH HOH A . KA 8 HOH 117 717 192 HOH HOH A . KA 8 HOH 118 718 195 HOH HOH A . KA 8 HOH 119 719 196 HOH HOH A . KA 8 HOH 120 720 197 HOH HOH A . KA 8 HOH 121 721 200 HOH HOH A . KA 8 HOH 122 722 201 HOH HOH A . KA 8 HOH 123 723 204 HOH HOH A . KA 8 HOH 124 724 205 HOH HOH A . KA 8 HOH 125 725 206 HOH HOH A . KA 8 HOH 126 726 207 HOH HOH A . KA 8 HOH 127 727 208 HOH HOH A . KA 8 HOH 128 728 209 HOH HOH A . KA 8 HOH 129 729 211 HOH HOH A . KA 8 HOH 130 730 212 HOH HOH A . KA 8 HOH 131 731 213 HOH HOH A . KA 8 HOH 132 732 215 HOH HOH A . KA 8 HOH 133 733 216 HOH HOH A . KA 8 HOH 134 734 221 HOH HOH A . KA 8 HOH 135 735 222 HOH HOH A . KA 8 HOH 136 736 224 HOH HOH A . KA 8 HOH 137 737 225 HOH HOH A . KA 8 HOH 138 738 230 HOH HOH A . KA 8 HOH 139 739 231 HOH HOH A . KA 8 HOH 140 740 232 HOH HOH A . KA 8 HOH 141 741 235 HOH HOH A . KA 8 HOH 142 742 237 HOH HOH A . KA 8 HOH 143 743 238 HOH HOH A . KA 8 HOH 144 744 239 HOH HOH A . KA 8 HOH 145 745 241 HOH HOH A . KA 8 HOH 146 746 242 HOH HOH A . KA 8 HOH 147 747 243 HOH HOH A . KA 8 HOH 148 748 246 HOH HOH A . KA 8 HOH 149 749 247 HOH HOH A . KA 8 HOH 150 750 248 HOH HOH A . KA 8 HOH 151 751 249 HOH HOH A . KA 8 HOH 152 752 250 HOH HOH A . KA 8 HOH 153 753 252 HOH HOH A . KA 8 HOH 154 754 253 HOH HOH A . KA 8 HOH 155 755 257 HOH HOH A . KA 8 HOH 156 756 258 HOH HOH A . KA 8 HOH 157 757 259 HOH HOH A . KA 8 HOH 158 758 260 HOH HOH A . KA 8 HOH 159 759 261 HOH HOH A . KA 8 HOH 160 760 268 HOH HOH A . KA 8 HOH 161 761 273 HOH HOH A . KA 8 HOH 162 762 275 HOH HOH A . KA 8 HOH 163 763 278 HOH HOH A . KA 8 HOH 164 764 279 HOH HOH A . KA 8 HOH 165 765 280 HOH HOH A . KA 8 HOH 166 766 281 HOH HOH A . KA 8 HOH 167 767 284 HOH HOH A . KA 8 HOH 168 768 285 HOH HOH A . KA 8 HOH 169 769 286 HOH HOH A . KA 8 HOH 170 770 292 HOH HOH A . KA 8 HOH 171 771 294 HOH HOH A . KA 8 HOH 172 772 296 HOH HOH A . KA 8 HOH 173 773 299 HOH HOH A . KA 8 HOH 174 774 301 HOH HOH A . KA 8 HOH 175 775 303 HOH HOH A . KA 8 HOH 176 776 304 HOH HOH A . KA 8 HOH 177 777 305 HOH HOH A . KA 8 HOH 178 778 306 HOH HOH A . KA 8 HOH 179 779 310 HOH HOH A . KA 8 HOH 180 780 311 HOH HOH A . KA 8 HOH 181 781 314 HOH HOH A . KA 8 HOH 182 782 316 HOH HOH A . KA 8 HOH 183 783 317 HOH HOH A . KA 8 HOH 184 784 318 HOH HOH A . KA 8 HOH 185 785 319 HOH HOH A . KA 8 HOH 186 786 320 HOH HOH A . KA 8 HOH 187 787 323 HOH HOH A . KA 8 HOH 188 788 324 HOH HOH A . KA 8 HOH 189 789 327 HOH HOH A . KA 8 HOH 190 790 328 HOH HOH A . KA 8 HOH 191 791 329 HOH HOH A . KA 8 HOH 192 792 330 HOH HOH A . KA 8 HOH 193 793 332 HOH HOH A . KA 8 HOH 194 794 333 HOH HOH A . KA 8 HOH 195 795 334 HOH HOH A . KA 8 HOH 196 796 335 HOH HOH A . KA 8 HOH 197 797 336 HOH HOH A . KA 8 HOH 198 798 337 HOH HOH A . KA 8 HOH 199 799 339 HOH HOH A . KA 8 HOH 200 800 340 HOH HOH A . KA 8 HOH 201 801 341 HOH HOH A . KA 8 HOH 202 802 344 HOH HOH A . KA 8 HOH 203 803 345 HOH HOH A . KA 8 HOH 204 804 347 HOH HOH A . KA 8 HOH 205 805 348 HOH HOH A . KA 8 HOH 206 806 351 HOH HOH A . KA 8 HOH 207 807 354 HOH HOH A . KA 8 HOH 208 808 355 HOH HOH A . KA 8 HOH 209 809 358 HOH HOH A . KA 8 HOH 210 810 360 HOH HOH A . KA 8 HOH 211 811 361 HOH HOH A . KA 8 HOH 212 812 365 HOH HOH A . KA 8 HOH 213 813 366 HOH HOH A . KA 8 HOH 214 814 367 HOH HOH A . KA 8 HOH 215 815 369 HOH HOH A . KA 8 HOH 216 816 371 HOH HOH A . KA 8 HOH 217 817 372 HOH HOH A . KA 8 HOH 218 818 373 HOH HOH A . KA 8 HOH 219 819 374 HOH HOH A . KA 8 HOH 220 820 375 HOH HOH A . KA 8 HOH 221 821 377 HOH HOH A . KA 8 HOH 222 822 380 HOH HOH A . KA 8 HOH 223 823 381 HOH HOH A . KA 8 HOH 224 824 383 HOH HOH A . KA 8 HOH 225 825 384 HOH HOH A . KA 8 HOH 226 826 385 HOH HOH A . KA 8 HOH 227 827 387 HOH HOH A . KA 8 HOH 228 828 389 HOH HOH A . KA 8 HOH 229 829 391 HOH HOH A . KA 8 HOH 230 830 397 HOH HOH A . KA 8 HOH 231 831 400 HOH HOH A . KA 8 HOH 232 832 401 HOH HOH A . KA 8 HOH 233 833 402 HOH HOH A . KA 8 HOH 234 834 403 HOH HOH A . KA 8 HOH 235 835 404 HOH HOH A . KA 8 HOH 236 836 405 HOH HOH A . KA 8 HOH 237 837 406 HOH HOH A . KA 8 HOH 238 838 407 HOH HOH A . KA 8 HOH 239 839 410 HOH HOH A . KA 8 HOH 240 840 411 HOH HOH A . KA 8 HOH 241 841 412 HOH HOH A . KA 8 HOH 242 842 413 HOH HOH A . KA 8 HOH 243 843 414 HOH HOH A . KA 8 HOH 244 844 415 HOH HOH A . KA 8 HOH 245 845 416 HOH HOH A . KA 8 HOH 246 846 417 HOH HOH A . KA 8 HOH 247 847 421 HOH HOH A . KA 8 HOH 248 848 423 HOH HOH A . KA 8 HOH 249 849 425 HOH HOH A . KA 8 HOH 250 850 426 HOH HOH A . KA 8 HOH 251 851 428 HOH HOH A . KA 8 HOH 252 852 429 HOH HOH A . KA 8 HOH 253 853 431 HOH HOH A . KA 8 HOH 254 854 434 HOH HOH A . KA 8 HOH 255 855 435 HOH HOH A . KA 8 HOH 256 856 437 HOH HOH A . KA 8 HOH 257 857 439 HOH HOH A . KA 8 HOH 258 858 440 HOH HOH A . KA 8 HOH 259 859 441 HOH HOH A . KA 8 HOH 260 860 443 HOH HOH A . KA 8 HOH 261 861 446 HOH HOH A . KA 8 HOH 262 862 447 HOH HOH A . KA 8 HOH 263 863 448 HOH HOH A . KA 8 HOH 264 864 449 HOH HOH A . KA 8 HOH 265 865 450 HOH HOH A . KA 8 HOH 266 866 452 HOH HOH A . KA 8 HOH 267 867 453 HOH HOH A . KA 8 HOH 268 868 454 HOH HOH A . KA 8 HOH 269 869 457 HOH HOH A . KA 8 HOH 270 870 459 HOH HOH A . KA 8 HOH 271 871 460 HOH HOH A . KA 8 HOH 272 872 462 HOH HOH A . KA 8 HOH 273 873 465 HOH HOH A . KA 8 HOH 274 874 466 HOH HOH A . KA 8 HOH 275 875 469 HOH HOH A . KA 8 HOH 276 876 470 HOH HOH A . KA 8 HOH 277 877 471 HOH HOH A . KA 8 HOH 278 878 473 HOH HOH A . KA 8 HOH 279 879 474 HOH HOH A . KA 8 HOH 280 880 476 HOH HOH A . KA 8 HOH 281 881 477 HOH HOH A . KA 8 HOH 282 882 482 HOH HOH A . KA 8 HOH 283 883 484 HOH HOH A . KA 8 HOH 284 884 489 HOH HOH A . KA 8 HOH 285 885 490 HOH HOH A . KA 8 HOH 286 886 493 HOH HOH A . KA 8 HOH 287 887 494 HOH HOH A . KA 8 HOH 288 888 495 HOH HOH A . KA 8 HOH 289 889 496 HOH HOH A . KA 8 HOH 290 890 497 HOH HOH A . KA 8 HOH 291 891 498 HOH HOH A . KA 8 HOH 292 892 499 HOH HOH A . KA 8 HOH 293 893 503 HOH HOH A . KA 8 HOH 294 894 504 HOH HOH A . KA 8 HOH 295 895 507 HOH HOH A . KA 8 HOH 296 896 508 HOH HOH A . KA 8 HOH 297 897 509 HOH HOH A . KA 8 HOH 298 898 515 HOH HOH A . KA 8 HOH 299 899 517 HOH HOH A . KA 8 HOH 300 900 518 HOH HOH A . KA 8 HOH 301 901 521 HOH HOH A . KA 8 HOH 302 902 522 HOH HOH A . KA 8 HOH 303 903 523 HOH HOH A . KA 8 HOH 304 904 524 HOH HOH A . KA 8 HOH 305 905 525 HOH HOH A . KA 8 HOH 306 906 526 HOH HOH A . KA 8 HOH 307 907 528 HOH HOH A . KA 8 HOH 308 908 531 HOH HOH A . KA 8 HOH 309 909 534 HOH HOH A . KA 8 HOH 310 910 535 HOH HOH A . KA 8 HOH 311 911 536 HOH HOH A . KA 8 HOH 312 912 537 HOH HOH A . KA 8 HOH 313 913 538 HOH HOH A . KA 8 HOH 314 914 539 HOH HOH A . KA 8 HOH 315 915 541 HOH HOH A . KA 8 HOH 316 916 542 HOH HOH A . KA 8 HOH 317 917 543 HOH HOH A . KA 8 HOH 318 918 545 HOH HOH A . KA 8 HOH 319 919 546 HOH HOH A . KA 8 HOH 320 920 547 HOH HOH A . KA 8 HOH 321 921 549 HOH HOH A . KA 8 HOH 322 922 550 HOH HOH A . KA 8 HOH 323 923 554 HOH HOH A . KA 8 HOH 324 924 556 HOH HOH A . KA 8 HOH 325 925 559 HOH HOH A . KA 8 HOH 326 926 560 HOH HOH A . KA 8 HOH 327 927 561 HOH HOH A . KA 8 HOH 328 928 569 HOH HOH A . KA 8 HOH 329 929 570 HOH HOH A . KA 8 HOH 330 930 571 HOH HOH A . KA 8 HOH 331 931 572 HOH HOH A . KA 8 HOH 332 932 574 HOH HOH A . KA 8 HOH 333 933 577 HOH HOH A . KA 8 HOH 334 934 578 HOH HOH A . KA 8 HOH 335 935 579 HOH HOH A . KA 8 HOH 336 936 582 HOH HOH A . KA 8 HOH 337 937 584 HOH HOH A . KA 8 HOH 338 938 585 HOH HOH A . KA 8 HOH 339 939 586 HOH HOH A . KA 8 HOH 340 940 587 HOH HOH A . KA 8 HOH 341 941 588 HOH HOH A . KA 8 HOH 342 942 589 HOH HOH A . KA 8 HOH 343 943 590 HOH HOH A . KA 8 HOH 344 944 592 HOH HOH A . KA 8 HOH 345 945 595 HOH HOH A . KA 8 HOH 346 946 596 HOH HOH A . KA 8 HOH 347 947 599 HOH HOH A . KA 8 HOH 348 948 600 HOH HOH A . KA 8 HOH 349 949 602 HOH HOH A . KA 8 HOH 350 950 603 HOH HOH A . KA 8 HOH 351 951 604 HOH HOH A . KA 8 HOH 352 952 605 HOH HOH A . KA 8 HOH 353 953 606 HOH HOH A . KA 8 HOH 354 954 607 HOH HOH A . KA 8 HOH 355 955 608 HOH HOH A . KA 8 HOH 356 956 609 HOH HOH A . KA 8 HOH 357 957 610 HOH HOH A . KA 8 HOH 358 958 611 HOH HOH A . KA 8 HOH 359 959 613 HOH HOH A . KA 8 HOH 360 960 619 HOH HOH A . KA 8 HOH 361 961 620 HOH HOH A . KA 8 HOH 362 962 622 HOH HOH A . KA 8 HOH 363 963 623 HOH HOH A . KA 8 HOH 364 964 624 HOH HOH A . KA 8 HOH 365 965 625 HOH HOH A . KA 8 HOH 366 966 626 HOH HOH A . KA 8 HOH 367 967 627 HOH HOH A . KA 8 HOH 368 968 629 HOH HOH A . KA 8 HOH 369 969 630 HOH HOH A . KA 8 HOH 370 970 631 HOH HOH A . KA 8 HOH 371 971 634 HOH HOH A . KA 8 HOH 372 972 635 HOH HOH A . KA 8 HOH 373 973 636 HOH HOH A . KA 8 HOH 374 974 638 HOH HOH A . KA 8 HOH 375 975 639 HOH HOH A . KA 8 HOH 376 976 642 HOH HOH A . KA 8 HOH 377 977 649 HOH HOH A . KA 8 HOH 378 978 650 HOH HOH A . KA 8 HOH 379 979 652 HOH HOH A . KA 8 HOH 380 980 653 HOH HOH A . KA 8 HOH 381 981 655 HOH HOH A . KA 8 HOH 382 982 656 HOH HOH A . KA 8 HOH 383 983 658 HOH HOH A . KA 8 HOH 384 984 660 HOH HOH A . KA 8 HOH 385 985 662 HOH HOH A . KA 8 HOH 386 986 666 HOH HOH A . KA 8 HOH 387 987 667 HOH HOH A . KA 8 HOH 388 988 668 HOH HOH A . KA 8 HOH 389 989 669 HOH HOH A . KA 8 HOH 390 990 671 HOH HOH A . KA 8 HOH 391 991 674 HOH HOH A . KA 8 HOH 392 992 680 HOH HOH A . KA 8 HOH 393 993 681 HOH HOH A . KA 8 HOH 394 994 682 HOH HOH A . KA 8 HOH 395 995 683 HOH HOH A . KA 8 HOH 396 996 684 HOH HOH A . KA 8 HOH 397 997 685 HOH HOH A . KA 8 HOH 398 998 687 HOH HOH A . KA 8 HOH 399 999 689 HOH HOH A . KA 8 HOH 400 1000 692 HOH HOH A . KA 8 HOH 401 1001 693 HOH HOH A . KA 8 HOH 402 1002 694 HOH HOH A . KA 8 HOH 403 1003 695 HOH HOH A . KA 8 HOH 404 1004 698 HOH HOH A . KA 8 HOH 405 1005 699 HOH HOH A . KA 8 HOH 406 1006 700 HOH HOH A . KA 8 HOH 407 1007 703 HOH HOH A . KA 8 HOH 408 1008 708 HOH HOH A . KA 8 HOH 409 1009 709 HOH HOH A . KA 8 HOH 410 1010 710 HOH HOH A . KA 8 HOH 411 1011 712 HOH HOH A . KA 8 HOH 412 1012 713 HOH HOH A . KA 8 HOH 413 1013 714 HOH HOH A . KA 8 HOH 414 1014 715 HOH HOH A . KA 8 HOH 415 1015 716 HOH HOH A . KA 8 HOH 416 1016 718 HOH HOH A . KA 8 HOH 417 1017 721 HOH HOH A . KA 8 HOH 418 1018 722 HOH HOH A . KA 8 HOH 419 1019 726 HOH HOH A . KA 8 HOH 420 1020 727 HOH HOH A . KA 8 HOH 421 1021 732 HOH HOH A . KA 8 HOH 422 1022 733 HOH HOH A . KA 8 HOH 423 1023 734 HOH HOH A . KA 8 HOH 424 1024 735 HOH HOH A . KA 8 HOH 425 1025 737 HOH HOH A . KA 8 HOH 426 1026 738 HOH HOH A . KA 8 HOH 427 1027 739 HOH HOH A . KA 8 HOH 428 1028 740 HOH HOH A . KA 8 HOH 429 1029 741 HOH HOH A . KA 8 HOH 430 1030 742 HOH HOH A . KA 8 HOH 431 1031 743 HOH HOH A . KA 8 HOH 432 1032 745 HOH HOH A . KA 8 HOH 433 1033 746 HOH HOH A . KA 8 HOH 434 1034 749 HOH HOH A . KA 8 HOH 435 1035 750 HOH HOH A . KA 8 HOH 436 1036 752 HOH HOH A . KA 8 HOH 437 1037 753 HOH HOH A . KA 8 HOH 438 1038 754 HOH HOH A . KA 8 HOH 439 1039 755 HOH HOH A . KA 8 HOH 440 1040 757 HOH HOH A . KA 8 HOH 441 1041 758 HOH HOH A . KA 8 HOH 442 1042 759 HOH HOH A . KA 8 HOH 443 1043 760 HOH HOH A . KA 8 HOH 444 1044 764 HOH HOH A . KA 8 HOH 445 1045 766 HOH HOH A . KA 8 HOH 446 1046 769 HOH HOH A . KA 8 HOH 447 1047 771 HOH HOH A . KA 8 HOH 448 1048 772 HOH HOH A . KA 8 HOH 449 1049 775 HOH HOH A . KA 8 HOH 450 1050 776 HOH HOH A . KA 8 HOH 451 1051 777 HOH HOH A . KA 8 HOH 452 1052 779 HOH HOH A . KA 8 HOH 453 1053 780 HOH HOH A . KA 8 HOH 454 1054 781 HOH HOH A . KA 8 HOH 455 1055 784 HOH HOH A . KA 8 HOH 456 1056 785 HOH HOH A . KA 8 HOH 457 1057 787 HOH HOH A . KA 8 HOH 458 1058 789 HOH HOH A . KA 8 HOH 459 1059 790 HOH HOH A . KA 8 HOH 460 1060 791 HOH HOH A . KA 8 HOH 461 1061 793 HOH HOH A . KA 8 HOH 462 1062 795 HOH HOH A . KA 8 HOH 463 1063 796 HOH HOH A . KA 8 HOH 464 1064 797 HOH HOH A . KA 8 HOH 465 1065 799 HOH HOH A . KA 8 HOH 466 1066 803 HOH HOH A . KA 8 HOH 467 1067 804 HOH HOH A . KA 8 HOH 468 1068 805 HOH HOH A . KA 8 HOH 469 1069 807 HOH HOH A . KA 8 HOH 470 1070 808 HOH HOH A . KA 8 HOH 471 1071 809 HOH HOH A . KA 8 HOH 472 1072 810 HOH HOH A . KA 8 HOH 473 1073 811 HOH HOH A . KA 8 HOH 474 1074 812 HOH HOH A . KA 8 HOH 475 1075 813 HOH HOH A . KA 8 HOH 476 1076 815 HOH HOH A . KA 8 HOH 477 1077 816 HOH HOH A . KA 8 HOH 478 1078 817 HOH HOH A . KA 8 HOH 479 1079 818 HOH HOH A . KA 8 HOH 480 1080 820 HOH HOH A . KA 8 HOH 481 1081 821 HOH HOH A . KA 8 HOH 482 1082 822 HOH HOH A . KA 8 HOH 483 1083 823 HOH HOH A . KA 8 HOH 484 1084 824 HOH HOH A . KA 8 HOH 485 1085 825 HOH HOH A . KA 8 HOH 486 1086 826 HOH HOH A . KA 8 HOH 487 1087 830 HOH HOH A . KA 8 HOH 488 1088 832 HOH HOH A . KA 8 HOH 489 1089 834 HOH HOH A . KA 8 HOH 490 1090 835 HOH HOH A . KA 8 HOH 491 1091 836 HOH HOH A . KA 8 HOH 492 1092 837 HOH HOH A . KA 8 HOH 493 1093 841 HOH HOH A . KA 8 HOH 494 1094 843 HOH HOH A . KA 8 HOH 495 1095 845 HOH HOH A . KA 8 HOH 496 1096 847 HOH HOH A . KA 8 HOH 497 1097 849 HOH HOH A . KA 8 HOH 498 1098 855 HOH HOH A . KA 8 HOH 499 1099 857 HOH HOH A . KA 8 HOH 500 1100 859 HOH HOH A . KA 8 HOH 501 1101 863 HOH HOH A . KA 8 HOH 502 1102 864 HOH HOH A . KA 8 HOH 503 1103 866 HOH HOH A . KA 8 HOH 504 1104 867 HOH HOH A . KA 8 HOH 505 1105 868 HOH HOH A . KA 8 HOH 506 1106 872 HOH HOH A . KA 8 HOH 507 1107 874 HOH HOH A . KA 8 HOH 508 1108 877 HOH HOH A . KA 8 HOH 509 1109 878 HOH HOH A . KA 8 HOH 510 1110 881 HOH HOH A . KA 8 HOH 511 1111 883 HOH HOH A . KA 8 HOH 512 1112 885 HOH HOH A . KA 8 HOH 513 1113 888 HOH HOH A . KA 8 HOH 514 1114 890 HOH HOH A . KA 8 HOH 515 1115 892 HOH HOH A . KA 8 HOH 516 1116 893 HOH HOH A . KA 8 HOH 517 1117 896 HOH HOH A . KA 8 HOH 518 1118 899 HOH HOH A . KA 8 HOH 519 1119 901 HOH HOH A . KA 8 HOH 520 1120 902 HOH HOH A . KA 8 HOH 521 1121 904 HOH HOH A . KA 8 HOH 522 1122 907 HOH HOH A . KA 8 HOH 523 1123 909 HOH HOH A . KA 8 HOH 524 1124 912 HOH HOH A . KA 8 HOH 525 1125 914 HOH HOH A . KA 8 HOH 526 1126 915 HOH HOH A . KA 8 HOH 527 1127 916 HOH HOH A . KA 8 HOH 528 1128 917 HOH HOH A . KA 8 HOH 529 1129 929 HOH HOH A . KA 8 HOH 530 1130 931 HOH HOH A . KA 8 HOH 531 1131 933 HOH HOH A . KA 8 HOH 532 1132 934 HOH HOH A . KA 8 HOH 533 1133 935 HOH HOH A . KA 8 HOH 534 1134 936 HOH HOH A . KA 8 HOH 535 1135 938 HOH HOH A . KA 8 HOH 536 1136 940 HOH HOH A . KA 8 HOH 537 1137 942 HOH HOH A . KA 8 HOH 538 1138 945 HOH HOH A . KA 8 HOH 539 1139 952 HOH HOH A . KA 8 HOH 540 1140 955 HOH HOH A . KA 8 HOH 541 1141 956 HOH HOH A . KA 8 HOH 542 1142 959 HOH HOH A . KA 8 HOH 543 1143 960 HOH HOH A . KA 8 HOH 544 1144 963 HOH HOH A . KA 8 HOH 545 1145 964 HOH HOH A . KA 8 HOH 546 1146 970 HOH HOH A . KA 8 HOH 547 1147 973 HOH HOH A . KA 8 HOH 548 1148 974 HOH HOH A . KA 8 HOH 549 1149 978 HOH HOH A . KA 8 HOH 550 1150 980 HOH HOH A . KA 8 HOH 551 1151 985 HOH HOH A . KA 8 HOH 552 1152 987 HOH HOH A . KA 8 HOH 553 1153 991 HOH HOH A . KA 8 HOH 554 1154 992 HOH HOH A . KA 8 HOH 555 1155 996 HOH HOH A . KA 8 HOH 556 1156 997 HOH HOH A . KA 8 HOH 557 1157 1001 HOH HOH A . KA 8 HOH 558 1158 1004 HOH HOH A . KA 8 HOH 559 1159 1005 HOH HOH A . KA 8 HOH 560 1160 1006 HOH HOH A . KA 8 HOH 561 1161 1008 HOH HOH A . KA 8 HOH 562 1162 1013 HOH HOH A . KA 8 HOH 563 1163 1014 HOH HOH A . KA 8 HOH 564 1164 1016 HOH HOH A . KA 8 HOH 565 1165 1018 HOH HOH A . KA 8 HOH 566 1166 1019 HOH HOH A . KA 8 HOH 567 1167 1020 HOH HOH A . KA 8 HOH 568 1168 1023 HOH HOH A . KA 8 HOH 569 1169 420 HOH HOH A . LA 8 HOH 1 601 2 HOH HOH B . LA 8 HOH 2 602 8 HOH HOH B . LA 8 HOH 3 603 9 HOH HOH B . LA 8 HOH 4 604 10 HOH HOH B . LA 8 HOH 5 605 13 HOH HOH B . LA 8 HOH 6 606 18 HOH HOH B . LA 8 HOH 7 607 22 HOH HOH B . LA 8 HOH 8 608 26 HOH HOH B . LA 8 HOH 9 609 28 HOH HOH B . LA 8 HOH 10 610 31 HOH HOH B . LA 8 HOH 11 611 32 HOH HOH B . LA 8 HOH 12 612 34 HOH HOH B . LA 8 HOH 13 613 37 HOH HOH B . LA 8 HOH 14 614 39 HOH HOH B . LA 8 HOH 15 615 42 HOH HOH B . LA 8 HOH 16 616 43 HOH HOH B . LA 8 HOH 17 617 44 HOH HOH B . LA 8 HOH 18 618 48 HOH HOH B . LA 8 HOH 19 619 52 HOH HOH B . LA 8 HOH 20 620 55 HOH HOH B . LA 8 HOH 21 621 61 HOH HOH B . LA 8 HOH 22 622 64 HOH HOH B . LA 8 HOH 23 623 73 HOH HOH B . LA 8 HOH 24 624 74 HOH HOH B . LA 8 HOH 25 625 75 HOH HOH B . LA 8 HOH 26 626 79 HOH HOH B . LA 8 HOH 27 627 82 HOH HOH B . LA 8 HOH 28 628 83 HOH HOH B . LA 8 HOH 29 629 86 HOH HOH B . LA 8 HOH 30 630 91 HOH HOH B . LA 8 HOH 31 631 101 HOH HOH B . LA 8 HOH 32 632 103 HOH HOH B . LA 8 HOH 33 633 117 HOH HOH B . LA 8 HOH 34 634 119 HOH HOH B . LA 8 HOH 35 635 120 HOH HOH B . LA 8 HOH 36 636 121 HOH HOH B . LA 8 HOH 37 637 122 HOH HOH B . LA 8 HOH 38 638 124 HOH HOH B . LA 8 HOH 39 639 125 HOH HOH B . LA 8 HOH 40 640 126 HOH HOH B . LA 8 HOH 41 641 127 HOH HOH B . LA 8 HOH 42 642 128 HOH HOH B . LA 8 HOH 43 643 129 HOH HOH B . LA 8 HOH 44 644 132 HOH HOH B . LA 8 HOH 45 645 136 HOH HOH B . LA 8 HOH 46 646 137 HOH HOH B . LA 8 HOH 47 647 138 HOH HOH B . LA 8 HOH 48 648 139 HOH HOH B . LA 8 HOH 49 649 141 HOH HOH B . LA 8 HOH 50 650 147 HOH HOH B . LA 8 HOH 51 651 151 HOH HOH B . LA 8 HOH 52 652 152 HOH HOH B . LA 8 HOH 53 653 153 HOH HOH B . LA 8 HOH 54 654 154 HOH HOH B . LA 8 HOH 55 655 155 HOH HOH B . LA 8 HOH 56 656 157 HOH HOH B . LA 8 HOH 57 657 160 HOH HOH B . LA 8 HOH 58 658 161 HOH HOH B . LA 8 HOH 59 659 164 HOH HOH B . LA 8 HOH 60 660 166 HOH HOH B . LA 8 HOH 61 661 168 HOH HOH B . LA 8 HOH 62 662 169 HOH HOH B . LA 8 HOH 63 663 170 HOH HOH B . LA 8 HOH 64 664 171 HOH HOH B . LA 8 HOH 65 665 175 HOH HOH B . LA 8 HOH 66 666 176 HOH HOH B . LA 8 HOH 67 667 178 HOH HOH B . LA 8 HOH 68 668 179 HOH HOH B . LA 8 HOH 69 669 181 HOH HOH B . LA 8 HOH 70 670 182 HOH HOH B . LA 8 HOH 71 671 184 HOH HOH B . LA 8 HOH 72 672 185 HOH HOH B . LA 8 HOH 73 673 186 HOH HOH B . LA 8 HOH 74 674 187 HOH HOH B . LA 8 HOH 75 675 188 HOH HOH B . LA 8 HOH 76 676 193 HOH HOH B . LA 8 HOH 77 677 194 HOH HOH B . LA 8 HOH 78 678 198 HOH HOH B . LA 8 HOH 79 679 199 HOH HOH B . LA 8 HOH 80 680 202 HOH HOH B . LA 8 HOH 81 681 203 HOH HOH B . LA 8 HOH 82 682 210 HOH HOH B . LA 8 HOH 83 683 214 HOH HOH B . LA 8 HOH 84 684 217 HOH HOH B . LA 8 HOH 85 685 218 HOH HOH B . LA 8 HOH 86 686 219 HOH HOH B . LA 8 HOH 87 687 220 HOH HOH B . LA 8 HOH 88 688 223 HOH HOH B . LA 8 HOH 89 689 226 HOH HOH B . LA 8 HOH 90 690 227 HOH HOH B . LA 8 HOH 91 691 228 HOH HOH B . LA 8 HOH 92 692 229 HOH HOH B . LA 8 HOH 93 693 233 HOH HOH B . LA 8 HOH 94 694 234 HOH HOH B . LA 8 HOH 95 695 236 HOH HOH B . LA 8 HOH 96 696 240 HOH HOH B . LA 8 HOH 97 697 244 HOH HOH B . LA 8 HOH 98 698 245 HOH HOH B . LA 8 HOH 99 699 251 HOH HOH B . LA 8 HOH 100 700 254 HOH HOH B . LA 8 HOH 101 701 255 HOH HOH B . LA 8 HOH 102 702 256 HOH HOH B . LA 8 HOH 103 703 262 HOH HOH B . LA 8 HOH 104 704 263 HOH HOH B . LA 8 HOH 105 705 264 HOH HOH B . LA 8 HOH 106 706 265 HOH HOH B . LA 8 HOH 107 707 266 HOH HOH B . LA 8 HOH 108 708 267 HOH HOH B . LA 8 HOH 109 709 269 HOH HOH B . LA 8 HOH 110 710 270 HOH HOH B . LA 8 HOH 111 711 271 HOH HOH B . LA 8 HOH 112 712 272 HOH HOH B . LA 8 HOH 113 713 274 HOH HOH B . LA 8 HOH 114 714 276 HOH HOH B . LA 8 HOH 115 715 277 HOH HOH B . LA 8 HOH 116 716 282 HOH HOH B . LA 8 HOH 117 717 283 HOH HOH B . LA 8 HOH 118 718 287 HOH HOH B . LA 8 HOH 119 719 288 HOH HOH B . LA 8 HOH 120 720 289 HOH HOH B . LA 8 HOH 121 721 290 HOH HOH B . LA 8 HOH 122 722 291 HOH HOH B . LA 8 HOH 123 723 293 HOH HOH B . LA 8 HOH 124 724 295 HOH HOH B . LA 8 HOH 125 725 297 HOH HOH B . LA 8 HOH 126 726 298 HOH HOH B . LA 8 HOH 127 727 300 HOH HOH B . LA 8 HOH 128 728 302 HOH HOH B . LA 8 HOH 129 729 307 HOH HOH B . LA 8 HOH 130 730 308 HOH HOH B . LA 8 HOH 131 731 309 HOH HOH B . LA 8 HOH 132 732 312 HOH HOH B . LA 8 HOH 133 733 313 HOH HOH B . LA 8 HOH 134 734 315 HOH HOH B . LA 8 HOH 135 735 321 HOH HOH B . LA 8 HOH 136 736 322 HOH HOH B . LA 8 HOH 137 737 325 HOH HOH B . LA 8 HOH 138 738 326 HOH HOH B . LA 8 HOH 139 739 331 HOH HOH B . LA 8 HOH 140 740 338 HOH HOH B . LA 8 HOH 141 741 342 HOH HOH B . LA 8 HOH 142 742 343 HOH HOH B . LA 8 HOH 143 743 346 HOH HOH B . LA 8 HOH 144 744 349 HOH HOH B . LA 8 HOH 145 745 350 HOH HOH B . LA 8 HOH 146 746 352 HOH HOH B . LA 8 HOH 147 747 353 HOH HOH B . LA 8 HOH 148 748 356 HOH HOH B . LA 8 HOH 149 749 357 HOH HOH B . LA 8 HOH 150 750 359 HOH HOH B . LA 8 HOH 151 751 362 HOH HOH B . LA 8 HOH 152 752 363 HOH HOH B . LA 8 HOH 153 753 364 HOH HOH B . LA 8 HOH 154 754 368 HOH HOH B . LA 8 HOH 155 755 370 HOH HOH B . LA 8 HOH 156 756 376 HOH HOH B . LA 8 HOH 157 757 378 HOH HOH B . LA 8 HOH 158 758 379 HOH HOH B . LA 8 HOH 159 759 382 HOH HOH B . LA 8 HOH 160 760 386 HOH HOH B . LA 8 HOH 161 761 388 HOH HOH B . LA 8 HOH 162 762 390 HOH HOH B . LA 8 HOH 163 763 392 HOH HOH B . LA 8 HOH 164 764 393 HOH HOH B . LA 8 HOH 165 765 394 HOH HOH B . LA 8 HOH 166 766 395 HOH HOH B . LA 8 HOH 167 767 396 HOH HOH B . LA 8 HOH 168 768 398 HOH HOH B . LA 8 HOH 169 769 399 HOH HOH B . LA 8 HOH 170 770 408 HOH HOH B . LA 8 HOH 171 771 409 HOH HOH B . LA 8 HOH 172 772 418 HOH HOH B . LA 8 HOH 173 773 419 HOH HOH B . LA 8 HOH 174 774 422 HOH HOH B . LA 8 HOH 175 775 424 HOH HOH B . LA 8 HOH 176 776 427 HOH HOH B . LA 8 HOH 177 777 430 HOH HOH B . LA 8 HOH 178 778 432 HOH HOH B . LA 8 HOH 179 779 433 HOH HOH B . LA 8 HOH 180 780 436 HOH HOH B . LA 8 HOH 181 781 438 HOH HOH B . LA 8 HOH 182 782 442 HOH HOH B . LA 8 HOH 183 783 444 HOH HOH B . LA 8 HOH 184 784 445 HOH HOH B . LA 8 HOH 185 785 451 HOH HOH B . LA 8 HOH 186 786 455 HOH HOH B . LA 8 HOH 187 787 456 HOH HOH B . LA 8 HOH 188 788 458 HOH HOH B . LA 8 HOH 189 789 461 HOH HOH B . LA 8 HOH 190 790 463 HOH HOH B . LA 8 HOH 191 791 464 HOH HOH B . LA 8 HOH 192 792 467 HOH HOH B . LA 8 HOH 193 793 468 HOH HOH B . LA 8 HOH 194 794 472 HOH HOH B . LA 8 HOH 195 795 475 HOH HOH B . LA 8 HOH 196 796 478 HOH HOH B . LA 8 HOH 197 797 479 HOH HOH B . LA 8 HOH 198 798 480 HOH HOH B . LA 8 HOH 199 799 481 HOH HOH B . LA 8 HOH 200 800 483 HOH HOH B . LA 8 HOH 201 801 485 HOH HOH B . LA 8 HOH 202 802 486 HOH HOH B . LA 8 HOH 203 803 487 HOH HOH B . LA 8 HOH 204 804 488 HOH HOH B . LA 8 HOH 205 805 491 HOH HOH B . LA 8 HOH 206 806 492 HOH HOH B . LA 8 HOH 207 807 500 HOH HOH B . LA 8 HOH 208 808 501 HOH HOH B . LA 8 HOH 209 809 502 HOH HOH B . LA 8 HOH 210 810 505 HOH HOH B . LA 8 HOH 211 811 506 HOH HOH B . LA 8 HOH 212 812 510 HOH HOH B . LA 8 HOH 213 813 511 HOH HOH B . LA 8 HOH 214 814 512 HOH HOH B . LA 8 HOH 215 815 513 HOH HOH B . LA 8 HOH 216 816 514 HOH HOH B . LA 8 HOH 217 817 516 HOH HOH B . LA 8 HOH 218 818 519 HOH HOH B . LA 8 HOH 219 819 520 HOH HOH B . LA 8 HOH 220 820 527 HOH HOH B . LA 8 HOH 221 821 529 HOH HOH B . LA 8 HOH 222 822 530 HOH HOH B . LA 8 HOH 223 823 532 HOH HOH B . LA 8 HOH 224 824 533 HOH HOH B . LA 8 HOH 225 825 540 HOH HOH B . LA 8 HOH 226 826 544 HOH HOH B . LA 8 HOH 227 827 548 HOH HOH B . LA 8 HOH 228 828 551 HOH HOH B . LA 8 HOH 229 829 552 HOH HOH B . LA 8 HOH 230 830 553 HOH HOH B . LA 8 HOH 231 831 555 HOH HOH B . LA 8 HOH 232 832 557 HOH HOH B . LA 8 HOH 233 833 558 HOH HOH B . LA 8 HOH 234 834 562 HOH HOH B . LA 8 HOH 235 835 563 HOH HOH B . LA 8 HOH 236 836 564 HOH HOH B . LA 8 HOH 237 837 565 HOH HOH B . LA 8 HOH 238 838 566 HOH HOH B . LA 8 HOH 239 839 567 HOH HOH B . LA 8 HOH 240 840 568 HOH HOH B . LA 8 HOH 241 841 573 HOH HOH B . LA 8 HOH 242 842 575 HOH HOH B . LA 8 HOH 243 843 576 HOH HOH B . LA 8 HOH 244 844 580 HOH HOH B . LA 8 HOH 245 845 581 HOH HOH B . LA 8 HOH 246 846 583 HOH HOH B . LA 8 HOH 247 847 591 HOH HOH B . LA 8 HOH 248 848 593 HOH HOH B . LA 8 HOH 249 849 594 HOH HOH B . LA 8 HOH 250 850 597 HOH HOH B . LA 8 HOH 251 851 598 HOH HOH B . LA 8 HOH 252 852 601 HOH HOH B . LA 8 HOH 253 853 612 HOH HOH B . LA 8 HOH 254 854 614 HOH HOH B . LA 8 HOH 255 855 615 HOH HOH B . LA 8 HOH 256 856 616 HOH HOH B . LA 8 HOH 257 857 618 HOH HOH B . LA 8 HOH 258 858 621 HOH HOH B . LA 8 HOH 259 859 628 HOH HOH B . LA 8 HOH 260 860 632 HOH HOH B . LA 8 HOH 261 861 633 HOH HOH B . LA 8 HOH 262 862 637 HOH HOH B . LA 8 HOH 263 863 640 HOH HOH B . LA 8 HOH 264 864 641 HOH HOH B . LA 8 HOH 265 865 643 HOH HOH B . LA 8 HOH 266 866 644 HOH HOH B . LA 8 HOH 267 867 645 HOH HOH B . LA 8 HOH 268 868 646 HOH HOH B . LA 8 HOH 269 869 647 HOH HOH B . LA 8 HOH 270 870 648 HOH HOH B . LA 8 HOH 271 871 651 HOH HOH B . LA 8 HOH 272 872 654 HOH HOH B . LA 8 HOH 273 873 657 HOH HOH B . LA 8 HOH 274 874 659 HOH HOH B . LA 8 HOH 275 875 661 HOH HOH B . LA 8 HOH 276 876 663 HOH HOH B . LA 8 HOH 277 877 664 HOH HOH B . LA 8 HOH 278 878 665 HOH HOH B . LA 8 HOH 279 879 670 HOH HOH B . LA 8 HOH 280 880 672 HOH HOH B . LA 8 HOH 281 881 673 HOH HOH B . LA 8 HOH 282 882 675 HOH HOH B . LA 8 HOH 283 883 676 HOH HOH B . LA 8 HOH 284 884 677 HOH HOH B . LA 8 HOH 285 885 678 HOH HOH B . LA 8 HOH 286 886 679 HOH HOH B . LA 8 HOH 287 887 686 HOH HOH B . LA 8 HOH 288 888 688 HOH HOH B . LA 8 HOH 289 889 690 HOH HOH B . LA 8 HOH 290 890 691 HOH HOH B . LA 8 HOH 291 891 696 HOH HOH B . LA 8 HOH 292 892 697 HOH HOH B . LA 8 HOH 293 893 701 HOH HOH B . LA 8 HOH 294 894 702 HOH HOH B . LA 8 HOH 295 895 704 HOH HOH B . LA 8 HOH 296 896 705 HOH HOH B . LA 8 HOH 297 897 706 HOH HOH B . LA 8 HOH 298 898 707 HOH HOH B . LA 8 HOH 299 899 711 HOH HOH B . LA 8 HOH 300 900 717 HOH HOH B . LA 8 HOH 301 901 719 HOH HOH B . LA 8 HOH 302 902 720 HOH HOH B . LA 8 HOH 303 903 723 HOH HOH B . LA 8 HOH 304 904 724 HOH HOH B . LA 8 HOH 305 905 725 HOH HOH B . LA 8 HOH 306 906 728 HOH HOH B . LA 8 HOH 307 907 729 HOH HOH B . LA 8 HOH 308 908 730 HOH HOH B . LA 8 HOH 309 909 731 HOH HOH B . LA 8 HOH 310 910 736 HOH HOH B . LA 8 HOH 311 911 744 HOH HOH B . LA 8 HOH 312 912 747 HOH HOH B . LA 8 HOH 313 913 748 HOH HOH B . LA 8 HOH 314 914 751 HOH HOH B . LA 8 HOH 315 915 756 HOH HOH B . LA 8 HOH 316 916 761 HOH HOH B . LA 8 HOH 317 917 762 HOH HOH B . LA 8 HOH 318 918 763 HOH HOH B . LA 8 HOH 319 919 765 HOH HOH B . LA 8 HOH 320 920 767 HOH HOH B . LA 8 HOH 321 921 768 HOH HOH B . LA 8 HOH 322 922 770 HOH HOH B . LA 8 HOH 323 923 773 HOH HOH B . LA 8 HOH 324 924 774 HOH HOH B . LA 8 HOH 325 925 778 HOH HOH B . LA 8 HOH 326 926 782 HOH HOH B . LA 8 HOH 327 927 783 HOH HOH B . LA 8 HOH 328 928 786 HOH HOH B . LA 8 HOH 329 929 788 HOH HOH B . LA 8 HOH 330 930 792 HOH HOH B . LA 8 HOH 331 931 794 HOH HOH B . LA 8 HOH 332 932 798 HOH HOH B . LA 8 HOH 333 933 800 HOH HOH B . LA 8 HOH 334 934 801 HOH HOH B . LA 8 HOH 335 935 802 HOH HOH B . LA 8 HOH 336 936 806 HOH HOH B . LA 8 HOH 337 937 814 HOH HOH B . LA 8 HOH 338 938 819 HOH HOH B . LA 8 HOH 339 939 827 HOH HOH B . LA 8 HOH 340 940 828 HOH HOH B . LA 8 HOH 341 941 829 HOH HOH B . LA 8 HOH 342 942 831 HOH HOH B . LA 8 HOH 343 943 833 HOH HOH B . LA 8 HOH 344 944 838 HOH HOH B . LA 8 HOH 345 945 839 HOH HOH B . LA 8 HOH 346 946 840 HOH HOH B . LA 8 HOH 347 947 842 HOH HOH B . LA 8 HOH 348 948 844 HOH HOH B . LA 8 HOH 349 949 846 HOH HOH B . LA 8 HOH 350 950 848 HOH HOH B . LA 8 HOH 351 951 850 HOH HOH B . LA 8 HOH 352 952 851 HOH HOH B . LA 8 HOH 353 953 852 HOH HOH B . LA 8 HOH 354 954 853 HOH HOH B . LA 8 HOH 355 955 854 HOH HOH B . LA 8 HOH 356 956 856 HOH HOH B . LA 8 HOH 357 957 858 HOH HOH B . LA 8 HOH 358 958 860 HOH HOH B . LA 8 HOH 359 959 861 HOH HOH B . LA 8 HOH 360 960 862 HOH HOH B . LA 8 HOH 361 961 865 HOH HOH B . LA 8 HOH 362 962 869 HOH HOH B . LA 8 HOH 363 963 870 HOH HOH B . LA 8 HOH 364 964 871 HOH HOH B . LA 8 HOH 365 965 873 HOH HOH B . LA 8 HOH 366 966 875 HOH HOH B . LA 8 HOH 367 967 876 HOH HOH B . LA 8 HOH 368 968 879 HOH HOH B . LA 8 HOH 369 969 880 HOH HOH B . LA 8 HOH 370 970 882 HOH HOH B . LA 8 HOH 371 971 884 HOH HOH B . LA 8 HOH 372 972 886 HOH HOH B . LA 8 HOH 373 973 887 HOH HOH B . LA 8 HOH 374 974 889 HOH HOH B . LA 8 HOH 375 975 891 HOH HOH B . LA 8 HOH 376 976 894 HOH HOH B . LA 8 HOH 377 977 895 HOH HOH B . LA 8 HOH 378 978 897 HOH HOH B . LA 8 HOH 379 979 898 HOH HOH B . LA 8 HOH 380 980 900 HOH HOH B . LA 8 HOH 381 981 903 HOH HOH B . LA 8 HOH 382 982 905 HOH HOH B . LA 8 HOH 383 983 906 HOH HOH B . LA 8 HOH 384 984 908 HOH HOH B . LA 8 HOH 385 985 910 HOH HOH B . LA 8 HOH 386 986 911 HOH HOH B . LA 8 HOH 387 987 913 HOH HOH B . LA 8 HOH 388 988 918 HOH HOH B . LA 8 HOH 389 989 919 HOH HOH B . LA 8 HOH 390 990 920 HOH HOH B . LA 8 HOH 391 991 921 HOH HOH B . LA 8 HOH 392 992 922 HOH HOH B . LA 8 HOH 393 993 923 HOH HOH B . LA 8 HOH 394 994 924 HOH HOH B . LA 8 HOH 395 995 925 HOH HOH B . LA 8 HOH 396 996 926 HOH HOH B . LA 8 HOH 397 997 927 HOH HOH B . LA 8 HOH 398 998 928 HOH HOH B . LA 8 HOH 399 999 930 HOH HOH B . LA 8 HOH 400 1000 932 HOH HOH B . LA 8 HOH 401 1001 937 HOH HOH B . LA 8 HOH 402 1002 939 HOH HOH B . LA 8 HOH 403 1003 941 HOH HOH B . LA 8 HOH 404 1004 943 HOH HOH B . LA 8 HOH 405 1005 944 HOH HOH B . LA 8 HOH 406 1006 946 HOH HOH B . LA 8 HOH 407 1007 947 HOH HOH B . LA 8 HOH 408 1008 948 HOH HOH B . LA 8 HOH 409 1009 949 HOH HOH B . LA 8 HOH 410 1010 950 HOH HOH B . LA 8 HOH 411 1011 951 HOH HOH B . LA 8 HOH 412 1012 953 HOH HOH B . LA 8 HOH 413 1013 954 HOH HOH B . LA 8 HOH 414 1014 957 HOH HOH B . LA 8 HOH 415 1015 958 HOH HOH B . LA 8 HOH 416 1016 961 HOH HOH B . LA 8 HOH 417 1017 962 HOH HOH B . LA 8 HOH 418 1018 965 HOH HOH B . LA 8 HOH 419 1019 966 HOH HOH B . LA 8 HOH 420 1020 967 HOH HOH B . LA 8 HOH 421 1021 968 HOH HOH B . LA 8 HOH 422 1022 969 HOH HOH B . LA 8 HOH 423 1023 971 HOH HOH B . LA 8 HOH 424 1024 972 HOH HOH B . LA 8 HOH 425 1025 975 HOH HOH B . LA 8 HOH 426 1026 976 HOH HOH B . LA 8 HOH 427 1027 977 HOH HOH B . LA 8 HOH 428 1028 979 HOH HOH B . LA 8 HOH 429 1029 981 HOH HOH B . LA 8 HOH 430 1030 982 HOH HOH B . LA 8 HOH 431 1031 983 HOH HOH B . LA 8 HOH 432 1032 984 HOH HOH B . LA 8 HOH 433 1033 988 HOH HOH B . LA 8 HOH 434 1034 990 HOH HOH B . LA 8 HOH 435 1035 993 HOH HOH B . LA 8 HOH 436 1036 995 HOH HOH B . LA 8 HOH 437 1037 998 HOH HOH B . LA 8 HOH 438 1038 999 HOH HOH B . LA 8 HOH 439 1039 1000 HOH HOH B . LA 8 HOH 440 1040 1002 HOH HOH B . LA 8 HOH 441 1041 1003 HOH HOH B . LA 8 HOH 442 1042 1007 HOH HOH B . LA 8 HOH 443 1043 1009 HOH HOH B . LA 8 HOH 444 1044 1010 HOH HOH B . LA 8 HOH 445 1045 1011 HOH HOH B . LA 8 HOH 446 1046 1012 HOH HOH B . LA 8 HOH 447 1047 1015 HOH HOH B . LA 8 HOH 448 1048 1021 HOH HOH B . LA 8 HOH 449 1049 1022 HOH HOH B . LA 8 HOH 450 1050 1024 HOH HOH B . LA 8 HOH 451 1051 1025 HOH HOH B . LA 8 HOH 452 1052 1026 HOH HOH B . LA 8 HOH 453 1053 1027 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 160 B ASN 177 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 107 B ASN 124 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 107 A ASN 124 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 160 A ASN 177 ? ASN 'GLYCOSYLATION SITE' 5 A ASN 368 A ASN 385 ? ASN 'GLYCOSYLATION SITE' 6 B ASN 368 B ASN 385 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA,LA # 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)' 9380 ? 1 MORE 35 ? 1 'SSA (A^2)' 31890 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 692 ? KA HOH . 2 1 A HOH 1148 ? KA HOH . # 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 2012-10-10 2 'Structure model' 1 1 2012-11-21 3 'Structure model' 1 2 2017-11-15 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_software.classification' 2 3 'Structure model' '_software.contact_author' 3 3 'Structure model' '_software.contact_author_email' 4 3 'Structure model' '_software.date' 5 3 'Structure model' '_software.language' 6 3 'Structure model' '_software.location' 7 3 'Structure model' '_software.name' 8 3 'Structure model' '_software.type' 9 3 'Structure model' '_software.version' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 56.9588 -1.2228 10.1632 0.0605 0.0457 0.0210 -0.0077 -0.0068 -0.0108 1.0832 0.3359 0.4028 0.0782 -0.1640 -0.1296 0.0296 0.0232 -0.0528 0.0227 0.1145 0.0138 0.0281 -0.0253 0.0359 'X-RAY DIFFRACTION' 2 ? refined 26.2569 3.2564 10.9694 0.0402 0.0682 0.1268 0.0283 0.0201 0.0624 1.4161 1.5984 0.8093 -0.0773 -0.3054 -0.2714 0.0550 0.1005 -0.1555 0.0474 0.1630 0.3325 0.0961 -0.1109 -0.1662 'X-RAY DIFFRACTION' 3 ? refined 21.9069 -31.5738 21.9240 0.0791 0.0887 0.1304 -0.0064 0.0004 0.0728 1.1464 1.6086 0.8008 0.3842 -0.5275 -0.5363 -0.0537 0.1948 -0.1410 0.0817 0.0077 0.3951 0.1212 0.0079 -0.1400 'X-RAY DIFFRACTION' 4 ? refined 51.6099 -37.1646 16.4726 0.0702 0.0646 0.1811 0.0312 0.0018 0.0200 2.1708 1.7057 1.0984 0.3362 -0.6808 -0.2340 -0.1420 -0.0206 0.1627 -0.0647 -0.4222 -0.4399 -0.0130 0.1560 0.2030 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 18 A 310 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 A 311 A 404 ? . . . . ? 'X-RAY DIFFRACTION' 3 3 B 18 B 310 ? . . . . ? 'X-RAY DIFFRACTION' 4 4 B 311 B 404 ? . . . . ? # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 REFMAC 5.5.0109 ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 HKL-2000 . ? ? ? ? 'data collection' ? ? ? # 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 ARG A 37 ? ? 52.04 -135.38 2 1 CYS A 38 ? ? -108.57 42.32 3 1 ASP A 78 ? ? -113.73 -147.82 4 1 CYS A 80 ? ? 81.93 19.29 5 1 LYS A 149 ? ? 70.84 35.06 6 1 LYS A 149 ? ? 70.84 33.92 7 1 ASP A 252 ? ? 95.82 -177.55 8 1 ASN A 258 ? ? -99.42 -140.10 9 1 LEU A 280 ? ? -105.77 77.96 10 1 SER A 283 ? ? -156.20 87.71 11 1 ASP A 346 ? ? -114.43 -70.86 12 1 ARG B 37 ? ? 51.20 -133.16 13 1 ASP B 45 ? ? -141.42 59.13 14 1 ASP B 78 ? ? -114.61 -150.61 15 1 LYS B 149 ? ? 72.80 34.80 16 1 ASP B 252 ? ? 93.60 -177.94 17 1 ASN B 258 ? ? -101.43 -140.59 18 1 LEU B 280 ? ? -109.04 77.62 19 1 SER B 283 ? ? -158.27 89.18 20 1 ASP B 346 ? ? -118.15 -70.51 21 1 SER B 363 ? ? 85.04 -18.37 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A ASN 405 ? A ASN 388 2 1 Y 1 A LEU 406 ? A LEU 389 3 1 Y 1 A GLU 407 ? A GLU 390 4 1 Y 1 A MET 408 ? A MET 391 5 1 Y 1 A SER 409 ? A SER 392 6 1 Y 1 A GLN 410 ? A GLN 393 7 1 Y 1 A GLN 411 ? A GLN 394 8 1 Y 1 A HIS 412 ? A HIS 395 9 1 Y 1 A HIS 413 ? A HIS 396 10 1 Y 1 A HIS 414 ? A HIS 397 11 1 Y 1 A HIS 415 ? A HIS 398 12 1 Y 1 A HIS 416 ? A HIS 399 13 1 Y 1 A HIS 417 ? A HIS 400 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 '(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol' DGJ 6 'CITRIC ACID' CIT 7 GLYCEROL GOL 8 water HOH #