data_4DKV # _entry.id 4DKV # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.283 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4DKV RCSB RCSB070456 WWPDB D_1000070456 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 4DKU _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.entry_id 4DKV _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-02-04 _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Kwon, Y.D.' 1 'Debnath, A.K.' 2 'Kwong, P.D.' 3 # _citation.id primary _citation.title 'Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study.' _citation.journal_abbrev 'Antimicrob. Agents Chemother.' _citation.journal_volume 58 _citation.page_first 5478 _citation.page_last 5491 _citation.year 2014 _citation.journal_id_ASTM AMACCQ _citation.country US _citation.journal_id_ISSN 1098-6596 _citation.journal_id_CSD 0788 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25001301 _citation.pdbx_database_id_DOI 10.1128/AAC.03339-14 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Curreli, F.' 1 primary 'Kwon, Y.D.' 2 primary 'Zhang, H.' 3 primary 'Yang, Y.' 4 primary 'Scacalossi, D.' 5 primary 'Kwong, P.D.' 6 primary 'Debnath, A.K.' 7 # _cell.entry_id 4DKV _cell.length_a 64.333 _cell.length_b 68.773 _cell.length_c 93.848 _cell.angle_alpha 90.00 _cell.angle_beta 91.74 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4DKV _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _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 'HIV-1 gp120 core' 39160.367 2 ? 'V1V2 and V3 deletion, His 375 to Ser' 'Chimera residues 44-492' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 20 ? ? ? ? 3 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305 2 ? ? ? ? 4 non-polymer syn "N-(4-chlorophenyl)-N'-{(S)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide" 436.956 2 ? ? ? ? 5 water nat water 18.015 196 ? ? ? ? # _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 ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT GGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSEN LTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITM HSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGG ANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE ; _entity_poly.pdbx_seq_one_letter_code_can ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT GGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSEN LTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITM HSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGG ANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE ; _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 VAL n 1 2 TRP n 1 3 LYS n 1 4 ASP n 1 5 ALA n 1 6 ASP n 1 7 THR n 1 8 THR n 1 9 LEU n 1 10 PHE n 1 11 CYS n 1 12 ALA n 1 13 SER n 1 14 ASP n 1 15 ALA n 1 16 LYS n 1 17 ALA n 1 18 HIS n 1 19 GLU n 1 20 THR n 1 21 GLU n 1 22 VAL n 1 23 HIS n 1 24 ASN n 1 25 VAL n 1 26 TRP n 1 27 ALA n 1 28 THR n 1 29 HIS n 1 30 ALA n 1 31 CYS n 1 32 VAL n 1 33 PRO n 1 34 THR n 1 35 ASP n 1 36 PRO n 1 37 ASN n 1 38 PRO n 1 39 GLN n 1 40 GLU n 1 41 ILE n 1 42 HIS n 1 43 LEU n 1 44 GLU n 1 45 ASN n 1 46 VAL n 1 47 THR n 1 48 GLU n 1 49 ASN n 1 50 PHE n 1 51 ASN n 1 52 MET n 1 53 TRP n 1 54 LYS n 1 55 ASN n 1 56 ASN n 1 57 MET n 1 58 VAL n 1 59 GLU n 1 60 GLN n 1 61 MET n 1 62 GLN n 1 63 GLU n 1 64 ASP n 1 65 VAL n 1 66 ILE n 1 67 SER n 1 68 LEU n 1 69 TRP n 1 70 ASP n 1 71 GLN n 1 72 SER n 1 73 LEU n 1 74 GLN n 1 75 PRO n 1 76 CYS n 1 77 VAL n 1 78 LYS n 1 79 LEU n 1 80 THR n 1 81 GLY n 1 82 GLY n 1 83 SER n 1 84 VAL n 1 85 ILE n 1 86 LYS n 1 87 GLN n 1 88 ALA n 1 89 CYS n 1 90 PRO n 1 91 LYS n 1 92 ILE n 1 93 SER n 1 94 PHE n 1 95 ASP n 1 96 PRO n 1 97 ILE n 1 98 PRO n 1 99 ILE n 1 100 HIS n 1 101 TYR n 1 102 CYS n 1 103 THR n 1 104 PRO n 1 105 ALA n 1 106 GLY n 1 107 TYR n 1 108 VAL n 1 109 ILE n 1 110 LEU n 1 111 LYS n 1 112 CYS n 1 113 ASN n 1 114 ASP n 1 115 LYS n 1 116 ASN n 1 117 PHE n 1 118 ASN n 1 119 GLY n 1 120 THR n 1 121 GLY n 1 122 PRO n 1 123 CYS n 1 124 LYS n 1 125 ASN n 1 126 VAL n 1 127 SER n 1 128 SER n 1 129 VAL n 1 130 GLN n 1 131 CYS n 1 132 THR n 1 133 HIS n 1 134 GLY n 1 135 ILE n 1 136 LYS n 1 137 PRO n 1 138 VAL n 1 139 VAL n 1 140 SER n 1 141 THR n 1 142 GLN n 1 143 LEU n 1 144 LEU n 1 145 LEU n 1 146 ASN n 1 147 GLY n 1 148 SER n 1 149 LEU n 1 150 ALA n 1 151 GLU n 1 152 GLU n 1 153 GLU n 1 154 ILE n 1 155 ILE n 1 156 ILE n 1 157 ARG n 1 158 SER n 1 159 GLU n 1 160 ASN n 1 161 LEU n 1 162 THR n 1 163 ASN n 1 164 ASN n 1 165 ALA n 1 166 LYS n 1 167 THR n 1 168 ILE n 1 169 ILE n 1 170 VAL n 1 171 HIS n 1 172 LEU n 1 173 ASN n 1 174 LYS n 1 175 SER n 1 176 VAL n 1 177 GLU n 1 178 ILE n 1 179 ASN n 1 180 CYS n 1 181 THR n 1 182 ARG n 1 183 PRO n 1 184 SER n 1 185 ASN n 1 186 GLY n 1 187 GLY n 1 188 SER n 1 189 GLY n 1 190 SER n 1 191 GLY n 1 192 GLY n 1 193 ASP n 1 194 ILE n 1 195 ARG n 1 196 LYS n 1 197 ALA n 1 198 TYR n 1 199 CYS n 1 200 GLU n 1 201 ILE n 1 202 ASN n 1 203 GLY n 1 204 THR n 1 205 LYS n 1 206 TRP n 1 207 ASN n 1 208 LYS n 1 209 VAL n 1 210 LEU n 1 211 LYS n 1 212 GLN n 1 213 VAL n 1 214 THR n 1 215 GLU n 1 216 LYS n 1 217 LEU n 1 218 LYS n 1 219 GLU n 1 220 HIS n 1 221 PHE n 1 222 ASN n 1 223 ASN n 1 224 LYS n 1 225 THR n 1 226 ILE n 1 227 ILE n 1 228 PHE n 1 229 GLN n 1 230 PRO n 1 231 PRO n 1 232 SER n 1 233 GLY n 1 234 GLY n 1 235 ASP n 1 236 LEU n 1 237 GLU n 1 238 ILE n 1 239 THR n 1 240 MET n 1 241 HIS n 1 242 SER n 1 243 PHE n 1 244 ASN n 1 245 CYS n 1 246 ARG n 1 247 GLY n 1 248 GLU n 1 249 PHE n 1 250 PHE n 1 251 TYR n 1 252 CYS n 1 253 ASN n 1 254 THR n 1 255 THR n 1 256 GLN n 1 257 LEU n 1 258 PHE n 1 259 ASN n 1 260 ASN n 1 261 THR n 1 262 CYS n 1 263 ILE n 1 264 GLY n 1 265 ASN n 1 266 GLU n 1 267 THR n 1 268 MET n 1 269 LYS n 1 270 GLY n 1 271 CYS n 1 272 ASN n 1 273 GLY n 1 274 THR n 1 275 ILE n 1 276 THR n 1 277 LEU n 1 278 PRO n 1 279 CYS n 1 280 LYS n 1 281 ILE n 1 282 LYS n 1 283 GLN n 1 284 ILE n 1 285 ILE n 1 286 ASN n 1 287 MET n 1 288 TRP n 1 289 GLN n 1 290 GLY n 1 291 THR n 1 292 GLY n 1 293 GLN n 1 294 ALA n 1 295 MET n 1 296 TYR n 1 297 ALA n 1 298 PRO n 1 299 PRO n 1 300 ILE n 1 301 ASP n 1 302 GLY n 1 303 LYS n 1 304 ILE n 1 305 ASN n 1 306 CYS n 1 307 VAL n 1 308 SER n 1 309 ASN n 1 310 ILE n 1 311 THR n 1 312 GLY n 1 313 ILE n 1 314 LEU n 1 315 LEU n 1 316 THR n 1 317 ARG n 1 318 ASP n 1 319 GLY n 1 320 GLY n 1 321 ALA n 1 322 ASN n 1 323 ASN n 1 324 THR n 1 325 SER n 1 326 ASN n 1 327 GLU n 1 328 THR n 1 329 PHE n 1 330 ARG n 1 331 PRO n 1 332 GLY n 1 333 GLY n 1 334 GLY n 1 335 ASN n 1 336 ILE n 1 337 LYS n 1 338 ASP n 1 339 ASN n 1 340 TRP n 1 341 ARG n 1 342 SER n 1 343 GLU n 1 344 LEU n 1 345 TYR n 1 346 LYS n 1 347 TYR n 1 348 LYS n 1 349 VAL n 1 350 VAL n 1 351 GLN n 1 352 ILE n 1 353 GLU n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? 1 80 ? ? env ? 'clade A/E 93TH057' ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? 293F ? ? ? ? ? ? ? plasmid ? ? ? pVRC8400 ? ? 1 3 sample ? 192 353 ? ? env ? 'clade A/E 93TH057' ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? 293F ? ? ? ? ? ? ? plasmid ? ? ? pVRC8400 ? ? 1 2 sample ? 83 185 ? ? env ? 'clade A/E 93TH057' ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? 293F ? ? ? ? ? ? ? plasmid ? ? ? pVRC8400 ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP Q0ED31_9HIV1 Q0ED31 1 ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT ; 43 ? 2 UNP Q0ED31_9HIV1 Q0ED31 1 ;SVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLT NNAKTIIVHLNKSVEINCTRPSN ; 201 ? 3 UNP Q0ED31_9HIV1 Q0ED31 1 ;GDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGC NGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQ IE ; 325 ? # 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 4DKV A 1 ? 80 ? Q0ED31 43 ? 122 ? 44 123 2 2 4DKV A 83 ? 185 ? Q0ED31 201 ? 303 ? 199 301 3 3 4DKV A 192 ? 353 ? Q0ED31 325 ? 486 ? 324 492 4 1 4DKV B 1 ? 80 ? Q0ED31 43 ? 122 ? 44 123 5 2 4DKV B 83 ? 185 ? Q0ED31 201 ? 303 ? 199 301 6 3 4DKV B 192 ? 353 ? Q0ED31 325 ? 486 ? 324 492 # 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 4DKV GLY A 81 ? UNP Q0ED31 ? ? LINKER 124 1 1 4DKV GLY A 82 ? UNP Q0ED31 ? ? LINKER 198 2 2 4DKV GLY A 186 ? UNP Q0ED31 ? ? LINKER 318 3 2 4DKV GLY A 187 ? UNP Q0ED31 ? ? LINKER 319 4 2 4DKV SER A 188 ? UNP Q0ED31 ? ? LINKER 320 5 2 4DKV GLY A 189 ? UNP Q0ED31 ? ? LINKER 321 6 2 4DKV SER A 190 ? UNP Q0ED31 ? ? LINKER 322 7 2 4DKV GLY A 191 ? UNP Q0ED31 ? ? LINKER 323 8 3 4DKV SER A 242 ? UNP Q0ED31 HIS 375 'ENGINEERED MUTATION' 375 9 4 4DKV GLY B 81 ? UNP Q0ED31 ? ? LINKER 124 10 4 4DKV GLY B 82 ? UNP Q0ED31 ? ? LINKER 198 11 5 4DKV GLY B 186 ? UNP Q0ED31 ? ? LINKER 318 12 5 4DKV GLY B 187 ? UNP Q0ED31 ? ? LINKER 319 13 5 4DKV SER B 188 ? UNP Q0ED31 ? ? LINKER 320 14 5 4DKV GLY B 189 ? UNP Q0ED31 ? ? LINKER 321 15 5 4DKV SER B 190 ? UNP Q0ED31 ? ? LINKER 322 16 5 4DKV GLY B 191 ? UNP Q0ED31 ? ? LINKER 323 17 6 4DKV SER B 242 ? UNP Q0ED31 HIS 375 'ENGINEERED MUTATION' 375 18 # 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 0KW non-polymer . "N-(4-chlorophenyl)-N'-{(S)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide" ? 'C20 H25 Cl N4 O3 S' 436.956 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EPE non-polymer . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES 'C8 H18 N2 O4 S' 238.305 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4DKV _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.65 _exptl_crystal.density_percent_sol 53.58 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '10% PEG 8000, 5% iso-propanol, 0.1M HEPES 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.pdbx_collection_date 2011-06-23 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.00 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 22-BM' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 22-BM _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.00 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4DKV _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 2.185 _reflns.number_obs 39043 _reflns.number_all 42391 _reflns.percent_possible_obs 92.1 _reflns.pdbx_Rmerge_I_obs 0.063 _reflns.pdbx_Rsym_value 0.079 _reflns.pdbx_netI_over_sigmaI 13.6 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.3 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.185 _reflns_shell.d_res_low 2.24 _reflns_shell.percent_possible_all 50.6 _reflns_shell.Rmerge_I_obs 0.518 _reflns_shell.pdbx_Rsym_value 0.568 _reflns_shell.meanI_over_sigI_obs 1.32 _reflns_shell.pdbx_redundancy 2.0 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4DKV _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 39018 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 27.602 _refine.ls_d_res_high 2.1847 _refine.ls_percent_reflns_obs 91.49 _refine.ls_R_factor_obs 0.2017 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1999 _refine.ls_R_factor_R_free 0.2349 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.01 _refine.ls_number_reflns_R_free 1954 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 1.000 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] -0.2486 _refine.aniso_B[2][2] 3.9458 _refine.aniso_B[3][3] -3.6972 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 2.7737 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 3TGT' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.28 _refine.pdbx_overall_phase_error 26.80 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 5308 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 368 _refine_hist.number_atoms_solvent 196 _refine_hist.number_atoms_total 5872 _refine_hist.d_res_high 2.1847 _refine_hist.d_res_low 27.602 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.008 ? ? 5824 'X-RAY DIFFRACTION' ? f_angle_d 0.965 ? ? 7900 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 13.919 ? ? 2190 'X-RAY DIFFRACTION' ? f_chiral_restr 0.047 ? ? 916 'X-RAY DIFFRACTION' ? f_plane_restr 0.003 ? ? 980 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.1847 2.2393 1350 0.2919 47.00 0.3000 . . 76 . . . . 'X-RAY DIFFRACTION' . 2.2393 2.2998 1877 0.2773 65.00 0.3175 . . 99 . . . . 'X-RAY DIFFRACTION' . 2.2998 2.3675 2310 0.2634 82.00 0.3052 . . 123 . . . . 'X-RAY DIFFRACTION' . 2.3675 2.4438 2710 0.2598 94.00 0.3102 . . 141 . . . . 'X-RAY DIFFRACTION' . 2.4438 2.5311 2862 0.2461 99.00 0.3394 . . 157 . . . . 'X-RAY DIFFRACTION' . 2.5311 2.6324 2831 0.2286 100.00 0.2637 . . 174 . . . . 'X-RAY DIFFRACTION' . 2.6324 2.7521 2888 0.2257 100.00 0.2785 . . 141 . . . . 'X-RAY DIFFRACTION' . 2.7521 2.8970 2875 0.2187 100.00 0.2867 . . 155 . . . . 'X-RAY DIFFRACTION' . 2.8970 3.0783 2888 0.2191 100.00 0.2627 . . 145 . . . . 'X-RAY DIFFRACTION' . 3.0783 3.3157 2879 0.2068 99.00 0.2522 . . 149 . . . . 'X-RAY DIFFRACTION' . 3.3157 3.6486 2871 0.1947 99.00 0.2247 . . 145 . . . . 'X-RAY DIFFRACTION' . 3.6486 4.1750 2862 0.1804 99.00 0.2032 . . 142 . . . . 'X-RAY DIFFRACTION' . 4.1750 5.2542 2896 0.1671 99.00 0.1918 . . 161 . . . . 'X-RAY DIFFRACTION' . 5.2542 27.6040 2965 0.1908 99.00 0.2171 . . 146 . . . . # _struct.entry_id 4DKV _struct.title 'Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007' _struct.pdbx_descriptor 'HIV-1 gp120 core' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4DKV _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HIV-1 gp120, clade A/E, CD4 mimic, NBD-10007, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 2 ? M N N 2 ? N N N 3 ? O N N 4 ? P N N 2 ? Q N N 2 ? R N N 2 ? S N N 2 ? T N N 2 ? 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 5 ? BA N N 5 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLU A 21 ? CYS A 31 ? GLU A 64 CYS A 74 1 ? 11 HELX_P HELX_P2 2 ASN A 55 ? LEU A 73 ? ASN A 98 LEU A 116 1 ? 19 HELX_P HELX_P3 3 GLY A 203 ? PHE A 221 ? GLY A 335 PHE A 353 1 ? 19 HELX_P HELX_P4 4 ASP A 235 ? MET A 240 ? ASP A 368 MET A 373 1 ? 6 HELX_P HELX_P5 5 ASN A 259 ? ILE A 263 ? ASN A 392 ILE A 396 5 ? 5 HELX_P HELX_P6 6 ILE A 336 ? TYR A 345 ? ILE A 475 TYR A 484 1 ? 10 HELX_P HELX_P7 7 GLU B 21 ? ALA B 30 ? GLU B 64 ALA B 73 1 ? 10 HELX_P HELX_P8 8 ASN B 55 ? LEU B 73 ? ASN B 98 LEU B 116 1 ? 19 HELX_P HELX_P9 9 GLY B 203 ? GLU B 219 ? GLY B 335 GLU B 351 1 ? 17 HELX_P HELX_P10 10 ASP B 235 ? MET B 240 ? ASP B 368 MET B 373 1 ? 6 HELX_P HELX_P11 11 ASN B 335 ? TYR B 345 ? ASN B 474 TYR B 484 1 ? 11 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 31 SG ? ? A CYS 54 A CYS 74 1_555 ? ? ? ? ? ? ? 2.034 ? disulf2 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 89 SG ? ? A CYS 119 A CYS 205 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 102 SG ? ? ? 1_555 A CYS 131 SG ? ? A CYS 218 A CYS 247 1_555 ? ? ? ? ? ? ? 2.034 ? disulf4 disulf ? ? A CYS 112 SG ? ? ? 1_555 A CYS 123 SG ? ? A CYS 228 A CYS 239 1_555 ? ? ? ? ? ? ? 2.198 ? disulf5 disulf ? ? A CYS 180 SG ? ? ? 1_555 A CYS 199 SG ? ? A CYS 296 A CYS 331 1_555 ? ? ? ? ? ? ? 2.031 ? disulf6 disulf ? ? A CYS 245 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 378 A CYS 445 1_555 ? ? ? ? ? ? ? 2.032 ? disulf7 disulf ? ? A CYS 252 SG ? ? ? 1_555 A CYS 279 SG ? ? A CYS 385 A CYS 418 1_555 ? ? ? ? ? ? ? 2.033 ? disulf8 disulf ? ? B CYS 11 SG ? ? ? 1_555 B CYS 31 SG ? ? B CYS 54 B CYS 74 1_555 ? ? ? ? ? ? ? 2.033 ? disulf9 disulf ? ? B CYS 76 SG ? ? ? 1_555 B CYS 89 SG ? ? B CYS 119 B CYS 205 1_555 ? ? ? ? ? ? ? 2.028 ? disulf10 disulf ? ? B CYS 102 SG ? ? ? 1_555 B CYS 131 SG ? ? B CYS 218 B CYS 247 1_555 ? ? ? ? ? ? ? 2.034 ? disulf11 disulf ? ? B CYS 112 SG ? ? ? 1_555 B CYS 123 SG ? ? B CYS 228 B CYS 239 1_555 ? ? ? ? ? ? ? 2.032 ? disulf12 disulf ? ? B CYS 180 SG ? ? ? 1_555 B CYS 199 SG ? ? B CYS 296 B CYS 331 1_555 ? ? ? ? ? ? ? 2.033 ? disulf13 disulf ? ? B CYS 245 SG ? ? ? 1_555 B CYS 306 SG ? ? B CYS 378 B CYS 445 1_555 ? ? ? ? ? ? ? 2.034 ? disulf14 disulf ? ? B CYS 252 SG ? ? ? 1_555 B CYS 279 SG ? ? B CYS 385 B CYS 418 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale ? ? A ASN 125 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 241 A NAG 502 1_555 ? ? ? ? ? ? ? 1.420 ? covale2 covale ? ? B ASN 309 ND2 ? ? ? 1_555 X NAG . C1 ? ? B ASN 448 B NAG 509 1_555 ? ? ? ? ? ? ? 1.423 ? covale3 covale ? ? B ASN 146 ND2 ? ? ? 1_555 R NAG . C1 ? ? B ASN 262 B NAG 503 1_555 ? ? ? ? ? ? ? 1.426 ? covale4 covale ? ? B ASN 253 ND2 ? ? ? 1_555 W NAG . C1 ? ? B ASN 386 B NAG 508 1_555 ? ? ? ? ? ? ? 1.429 ? covale5 covale ? ? B ASN 118 ND2 ? ? ? 1_555 P NAG . C1 ? ? B ASN 234 B NAG 501 1_555 ? ? ? ? ? ? ? 1.429 ? covale6 covale ? ? A ASN 202 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 334 A NAG 507 1_555 ? ? ? ? ? ? ? 1.429 ? covale7 covale ? ? A ASN 253 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 386 A NAG 509 1_555 ? ? ? ? ? ? ? 1.431 ? covale8 covale ? ? A ASN 259 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 392 A NAG 510 1_555 ? ? ? ? ? ? ? 1.432 ? covale9 covale ? ? A ASN 173 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 289 A NAG 505 1_555 ? ? ? ? ? ? ? 1.434 ? covale10 covale ? ? A ASN 118 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 234 A NAG 501 1_555 ? ? ? ? ? ? ? 1.435 ? covale11 covale ? ? A ASN 146 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 262 A NAG 503 1_555 ? ? ? ? ? ? ? 1.435 ? covale12 covale ? ? B ASN 202 ND2 ? ? ? 1_555 V NAG . C1 ? ? B ASN 334 B NAG 507 1_555 ? ? ? ? ? ? ? 1.435 ? covale13 covale ? ? A ASN 309 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 448 A NAG 511 1_555 ? ? ? ? ? ? ? 1.438 ? covale14 covale ? ? A ASN 179 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 295 A NAG 506 1_555 ? ? ? ? ? ? ? 1.440 ? covale15 covale ? ? B ASN 179 ND2 ? ? ? 1_555 U NAG . C1 ? ? B ASN 295 B NAG 506 1_555 ? ? ? ? ? ? ? 1.441 ? covale16 covale ? ? A ASN 223 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 355 A NAG 508 1_555 ? ? ? ? ? ? ? 1.442 ? covale17 covale ? ? A ASN 160 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 276 A NAG 504 1_555 ? ? ? ? ? ? ? 1.442 ? covale18 covale ? ? B ASN 125 ND2 ? ? ? 1_555 Q NAG . C1 ? ? B ASN 241 B NAG 502 1_555 ? ? ? ? ? ? ? 1.447 ? covale19 covale ? ? B ASN 173 ND2 ? ? ? 1_555 T NAG . C1 ? ? B ASN 289 B NAG 505 1_555 ? ? ? ? ? ? ? 1.477 ? covale20 covale ? ? B ASN 160 ND2 ? ? ? 1_555 S NAG . C1 ? ? B ASN 276 B NAG 504 1_555 ? ? ? ? ? ? ? 1.530 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 3 ? C ? 2 ? D ? 4 ? E ? 5 ? F ? 7 ? G ? 5 ? H ? 3 ? I ? 2 ? J ? 4 ? K ? 5 ? L ? 7 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 4 5 ? parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 4 5 ? anti-parallel F 5 6 ? anti-parallel F 6 7 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel I 1 2 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 4 5 ? parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 4 5 ? anti-parallel L 5 6 ? anti-parallel L 6 7 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TRP A 2 ? ASP A 4 ? TRP A 45 ASP A 47 A 2 TYR A 347 ? ILE A 352 ? TYR A 486 ILE A 491 A 3 TYR A 107 ? CYS A 112 ? TYR A 223 CYS A 228 A 4 VAL A 126 ? VAL A 129 ? VAL A 242 VAL A 245 A 5 GLU A 40 ? LEU A 43 ? GLU A 83 LEU A 86 B 1 VAL A 32 ? PRO A 33 ? VAL A 75 PRO A 76 B 2 PHE A 10 ? SER A 13 ? PHE A 53 SER A 56 B 3 HIS A 100 ? CYS A 102 ? HIS A 216 CYS A 218 C 1 GLU A 48 ? ASN A 51 ? GLU A 91 ASN A 94 C 2 THR A 120 ? CYS A 123 ? THR A 236 CYS A 239 D 1 SER A 83 ? LYS A 86 ? SER A 199 LYS A 202 D 2 VAL A 77 ? THR A 80 ? VAL A 120 THR A 123 D 3 GLN A 293 ? MET A 295 ? GLN A 432 MET A 434 D 4 ILE A 284 ? ASN A 286 ? ILE A 423 ASN A 425 E 1 LEU A 143 ? LEU A 145 ? LEU A 259 LEU A 261 E 2 ILE A 304 ? ARG A 317 ? ILE A 443 ARG A 456 E 3 ILE A 168 ? ARG A 182 ? ILE A 284 ARG A 298 E 4 ASN A 326 ? PRO A 331 ? ASN A 465 PRO A 470 E 5 THR A 225 ? PHE A 228 ? THR A 358 PHE A 361 F 1 ILE A 155 ? ARG A 157 ? ILE A 271 ARG A 273 F 2 ILE A 168 ? ARG A 182 ? ILE A 284 ARG A 298 F 3 ILE A 304 ? ARG A 317 ? ILE A 443 ARG A 456 F 4 LYS A 196 ? ASN A 202 ? LYS A 328 ASN A 334 F 5 THR A 274 ? ILE A 281 ? THR A 413 ILE A 420 F 6 GLU A 248 ? CYS A 252 ? GLU A 381 CYS A 385 F 7 HIS A 241 ? CYS A 245 ? HIS A 374 CYS A 378 G 1 TRP B 2 ? ASP B 4 ? TRP B 45 ASP B 47 G 2 TYR B 347 ? ILE B 352 ? TYR B 486 ILE B 491 G 3 TYR B 107 ? CYS B 112 ? TYR B 223 CYS B 228 G 4 VAL B 126 ? VAL B 129 ? VAL B 242 VAL B 245 G 5 ILE B 41 ? HIS B 42 ? ILE B 84 HIS B 85 H 1 CYS B 31 ? PRO B 33 ? CYS B 74 PRO B 76 H 2 PHE B 10 ? SER B 13 ? PHE B 53 SER B 56 H 3 HIS B 100 ? CYS B 102 ? HIS B 216 CYS B 218 I 1 GLU B 48 ? ASN B 51 ? GLU B 91 ASN B 94 I 2 THR B 120 ? CYS B 123 ? THR B 236 CYS B 239 J 1 ILE B 85 ? LYS B 86 ? ILE B 201 LYS B 202 J 2 VAL B 77 ? LYS B 78 ? VAL B 120 LYS B 121 J 3 GLN B 293 ? MET B 295 ? GLN B 432 MET B 434 J 4 ILE B 284 ? ASN B 286 ? ILE B 423 ASN B 425 K 1 LEU B 143 ? LEU B 145 ? LEU B 259 LEU B 261 K 2 ILE B 304 ? ARG B 317 ? ILE B 443 ARG B 456 K 3 ILE B 168 ? ARG B 182 ? ILE B 284 ARG B 298 K 4 ASN B 326 ? PRO B 331 ? ASN B 465 PRO B 470 K 5 THR B 225 ? PHE B 228 ? THR B 358 PHE B 361 L 1 ILE B 155 ? ARG B 157 ? ILE B 271 ARG B 273 L 2 ILE B 168 ? ARG B 182 ? ILE B 284 ARG B 298 L 3 ILE B 304 ? ARG B 317 ? ILE B 443 ARG B 456 L 4 LYS B 196 ? ASN B 202 ? LYS B 328 ASN B 334 L 5 THR B 274 ? ILE B 281 ? THR B 413 ILE B 420 L 6 GLU B 248 ? CYS B 252 ? GLU B 381 CYS B 385 L 7 HIS B 241 ? CYS B 245 ? HIS B 374 CYS B 378 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N LYS A 3 ? N LYS A 46 O GLN A 351 ? O GLN A 490 A 2 3 O LYS A 348 ? O LYS A 487 N LEU A 110 ? N LEU A 226 A 3 4 N ILE A 109 ? N ILE A 225 O VAL A 129 ? O VAL A 245 A 4 5 O SER A 128 ? O SER A 244 N ILE A 41 ? N ILE A 84 B 1 2 O VAL A 32 ? O VAL A 75 N SER A 13 ? N SER A 56 B 2 3 N PHE A 10 ? N PHE A 53 O CYS A 102 ? O CYS A 218 C 1 2 N PHE A 50 ? N PHE A 93 O GLY A 121 ? O GLY A 237 D 1 2 O ILE A 85 ? O ILE A 201 N LYS A 78 ? N LYS A 121 D 2 3 N LEU A 79 ? N LEU A 122 O GLN A 293 ? O GLN A 432 D 3 4 O ALA A 294 ? O ALA A 433 N ILE A 285 ? N ILE A 424 E 1 2 N LEU A 144 ? N LEU A 260 O GLY A 312 ? O GLY A 451 E 2 3 O ILE A 313 ? O ILE A 452 N VAL A 170 ? N VAL A 286 E 4 5 O PHE A 329 ? O PHE A 468 N ILE A 227 ? N ILE A 360 F 1 2 N ILE A 155 ? N ILE A 271 O HIS A 171 ? O HIS A 287 F 2 3 N VAL A 170 ? N VAL A 286 O ILE A 313 ? O ILE A 452 F 4 5 N ILE A 201 ? N ILE A 333 O ILE A 275 ? O ILE A 414 F 5 6 O LYS A 280 ? O LYS A 419 N TYR A 251 ? N TYR A 384 F 6 7 O GLU A 248 ? O GLU A 381 N CYS A 245 ? N CYS A 378 G 1 2 N LYS B 3 ? N LYS B 46 O GLN B 351 ? O GLN B 490 G 2 3 O LYS B 348 ? O LYS B 487 N LEU B 110 ? N LEU B 226 G 3 4 N LYS B 111 ? N LYS B 227 O SER B 127 ? O SER B 243 G 4 5 O SER B 128 ? O SER B 244 N ILE B 41 ? N ILE B 84 H 1 2 O VAL B 32 ? O VAL B 75 N SER B 13 ? N SER B 56 H 2 3 N PHE B 10 ? N PHE B 53 O CYS B 102 ? O CYS B 218 I 1 2 N PHE B 50 ? N PHE B 93 O GLY B 121 ? O GLY B 237 J 1 2 O ILE B 85 ? O ILE B 201 N LYS B 78 ? N LYS B 121 J 2 3 N VAL B 77 ? N VAL B 120 O MET B 295 ? O MET B 434 J 3 4 O ALA B 294 ? O ALA B 433 N ILE B 285 ? N ILE B 424 K 1 2 N LEU B 144 ? N LEU B 260 O GLY B 312 ? O GLY B 451 K 2 3 O ILE B 313 ? O ILE B 452 N VAL B 170 ? N VAL B 286 K 4 5 O PHE B 329 ? O PHE B 468 N ILE B 227 ? N ILE B 360 L 1 2 N ARG B 157 ? N ARG B 273 O ILE B 169 ? O ILE B 285 L 2 3 N VAL B 170 ? N VAL B 286 O ILE B 313 ? O ILE B 452 L 4 5 N ILE B 201 ? N ILE B 333 O ILE B 275 ? O ILE B 414 L 5 6 O LYS B 280 ? O LYS B 419 N TYR B 251 ? N TYR B 384 L 6 7 O GLU B 248 ? O GLU B 381 N CYS B 245 ? N CYS B 378 # 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 501' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 503' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 504' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 505' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 506' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 507' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 508' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 509' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 510' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 511' BC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE EPE A 512' BC4 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE 0KW A 513' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 501' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG B 502' BC7 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE NAG B 503' BC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 504' BC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 505' CC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 506' CC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 507' CC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG B 508' CC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 509' CC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EPE B 510' CC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE 0KW B 511' # 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 3 ASN A 118 ? ASN A 234 . ? 1_555 ? 2 AC1 3 THR A 120 ? THR A 236 . ? 1_555 ? 3 AC1 3 HIS A 220 ? HIS A 352 . ? 1_555 ? 4 AC2 4 ASP A 114 ? ASP A 230 . ? 1_555 ? 5 AC2 4 LYS A 115 ? LYS A 231 . ? 1_555 ? 6 AC2 4 LYS A 124 ? LYS A 240 . ? 1_555 ? 7 AC2 4 ASN A 125 ? ASN A 241 . ? 1_555 ? 8 AC3 9 ASN A 146 ? ASN A 262 . ? 1_555 ? 9 AC3 9 CYS A 306 ? CYS A 445 . ? 1_555 ? 10 AC3 9 VAL A 307 ? VAL A 446 . ? 1_555 ? 11 AC3 9 SER A 308 ? SER A 447 . ? 1_555 ? 12 AC3 9 NAG M . ? NAG A 511 . ? 1_555 ? 13 AC3 9 HOH AA . ? HOH A 608 . ? 1_555 ? 14 AC3 9 HOH AA . ? HOH A 638 . ? 1_555 ? 15 AC3 9 HOH AA . ? HOH A 656 . ? 1_555 ? 16 AC3 9 HOH AA . ? HOH A 664 . ? 1_555 ? 17 AC4 3 ASN A 160 ? ASN A 276 . ? 1_555 ? 18 AC4 3 ASN A 163 ? ASN A 279 . ? 1_555 ? 19 AC4 3 HIS B 18 ? HIS B 61 . ? 1_555 ? 20 AC5 6 GLU A 152 ? GLU A 268 . ? 1_555 ? 21 AC5 6 GLU A 153 ? GLU A 269 . ? 1_555 ? 22 AC5 6 ILE A 154 ? ILE A 270 . ? 1_555 ? 23 AC5 6 ASN A 173 ? ASN A 289 . ? 1_555 ? 24 AC5 6 LYS A 216 ? LYS A 348 . ? 1_555 ? 25 AC5 6 HOH AA . ? HOH A 652 . ? 1_555 ? 26 AC6 3 ASN A 179 ? ASN A 295 . ? 1_555 ? 27 AC6 3 GLU A 200 ? GLU A 332 . ? 1_555 ? 28 AC6 3 HOH AA . ? HOH A 688 . ? 1_555 ? 29 AC7 4 ASN A 202 ? ASN A 334 . ? 1_555 ? 30 AC7 4 LYS A 205 ? LYS A 337 . ? 1_555 ? 31 AC7 4 GLY A 273 ? GLY A 412 . ? 1_555 ? 32 AC7 4 THR A 274 ? THR A 413 . ? 1_555 ? 33 AC8 6 ASN A 222 ? ASN A 354 . ? 1_555 ? 34 AC8 6 ASN A 223 ? ASN A 355 . ? 1_555 ? 35 AC8 6 HOH AA . ? HOH A 650 . ? 1_555 ? 36 AC8 6 HOH AA . ? HOH A 679 . ? 1_555 ? 37 AC8 6 PRO B 98 ? PRO B 214 . ? 1_555 ? 38 AC8 6 GLY B 147 ? GLY B 263 . ? 1_555 ? 39 AC9 3 ASN A 253 ? ASN A 386 . ? 1_555 ? 40 AC9 3 THR A 255 ? THR A 388 . ? 1_555 ? 41 AC9 3 HOH AA . ? HOH A 640 . ? 1_555 ? 42 BC1 3 GLN A 256 ? GLN A 389 . ? 1_555 ? 43 BC1 3 ASN A 259 ? ASN A 392 . ? 1_555 ? 44 BC1 3 THR A 261 ? THR A 394 . ? 1_555 ? 45 BC2 3 SER A 175 ? SER A 291 . ? 1_555 ? 46 BC2 3 ASN A 309 ? ASN A 448 . ? 1_555 ? 47 BC2 3 NAG E . ? NAG A 503 . ? 1_555 ? 48 BC3 8 LEU A 9 ? LEU A 52 . ? 1_555 ? 49 BC3 8 CYS A 11 ? CYS A 54 . ? 1_555 ? 50 BC3 8 ALA A 30 ? ALA A 73 . ? 1_555 ? 51 BC3 8 GLN A 60 ? GLN A 103 . ? 1_555 ? 52 BC3 8 ASP A 64 ? ASP A 107 . ? 1_555 ? 53 BC3 8 TYR A 101 ? TYR A 217 . ? 1_555 ? 54 BC3 8 HOH AA . ? HOH A 619 . ? 1_555 ? 55 BC3 8 HOH AA . ? HOH A 653 . ? 1_555 ? 56 BC4 12 THR A 141 ? THR A 257 . ? 1_555 ? 57 BC4 12 GLU A 237 ? GLU A 370 . ? 1_555 ? 58 BC4 12 ILE A 238 ? ILE A 371 . ? 1_555 ? 59 BC4 12 SER A 242 ? SER A 375 . ? 1_555 ? 60 BC4 12 PHE A 243 ? PHE A 376 . ? 1_555 ? 61 BC4 12 ILE A 285 ? ILE A 424 . ? 1_555 ? 62 BC4 12 ASN A 286 ? ASN A 425 . ? 1_555 ? 63 BC4 12 MET A 287 ? MET A 426 . ? 1_555 ? 64 BC4 12 TRP A 288 ? TRP A 427 . ? 1_555 ? 65 BC4 12 GLY A 290 ? GLY A 429 . ? 1_555 ? 66 BC4 12 GLY A 333 ? GLY A 472 . ? 1_555 ? 67 BC4 12 GLY A 334 ? GLY A 473 . ? 1_555 ? 68 BC5 4 ASN B 118 ? ASN B 234 . ? 1_555 ? 69 BC5 4 THR B 120 ? THR B 236 . ? 1_555 ? 70 BC5 4 ILE B 156 ? ILE B 272 . ? 1_555 ? 71 BC5 4 HIS B 220 ? HIS B 352 . ? 1_555 ? 72 BC6 2 ASN B 113 ? ASN B 229 . ? 1_555 ? 73 BC6 2 ASN B 125 ? ASN B 241 . ? 1_555 ? 74 BC7 13 ASN A 222 ? ASN A 354 . ? 1_555 ? 75 BC7 13 ASN A 223 ? ASN A 355 . ? 1_555 ? 76 BC7 13 LYS A 224 ? LYS A 357 . ? 1_555 ? 77 BC7 13 SER A 325 ? SER A 464 . ? 1_555 ? 78 BC7 13 ASN B 146 ? ASN B 262 . ? 1_555 ? 79 BC7 13 ARG B 246 ? ARG B 379 . ? 1_555 ? 80 BC7 13 CYS B 306 ? CYS B 445 . ? 1_555 ? 81 BC7 13 VAL B 307 ? VAL B 446 . ? 1_555 ? 82 BC7 13 SER B 308 ? SER B 447 . ? 1_555 ? 83 BC7 13 HOH BA . ? HOH B 601 . ? 1_555 ? 84 BC7 13 HOH BA . ? HOH B 604 . ? 1_555 ? 85 BC7 13 HOH BA . ? HOH B 607 . ? 1_555 ? 86 BC7 13 HOH BA . ? HOH B 623 . ? 1_555 ? 87 BC8 3 ASN B 160 ? ASN B 276 . ? 1_555 ? 88 BC8 3 THR B 162 ? THR B 278 . ? 1_555 ? 89 BC8 3 ASN B 163 ? ASN B 279 . ? 1_555 ? 90 BC9 4 GLU B 152 ? GLU B 268 . ? 1_555 ? 91 BC9 4 GLU B 153 ? GLU B 269 . ? 1_555 ? 92 BC9 4 ILE B 154 ? ILE B 270 . ? 1_555 ? 93 BC9 4 ASN B 173 ? ASN B 289 . ? 1_555 ? 94 CC1 3 ASN A 326 ? ASN A 465 . ? 1_555 ? 95 CC1 3 ASN B 179 ? ASN B 295 . ? 1_555 ? 96 CC1 3 GLU B 200 ? GLU B 332 . ? 1_555 ? 97 CC2 1 ASN B 202 ? ASN B 334 . ? 1_555 ? 98 CC3 2 ASN B 253 ? ASN B 386 . ? 1_555 ? 99 CC3 2 THR B 255 ? THR B 388 . ? 1_555 ? 100 CC4 4 LYS A 218 ? LYS A 350 . ? 1_555 ? 101 CC4 4 ASN A 223 ? ASN A 355 . ? 1_555 ? 102 CC4 4 ASN B 309 ? ASN B 448 . ? 1_555 ? 103 CC4 4 HOH BA . ? HOH B 609 . ? 1_555 ? 104 CC5 6 LEU B 9 ? LEU B 52 . ? 1_555 ? 105 CC5 6 CYS B 11 ? CYS B 54 . ? 1_555 ? 106 CC5 6 ALA B 30 ? ALA B 73 . ? 1_555 ? 107 CC5 6 GLN B 60 ? GLN B 103 . ? 1_555 ? 108 CC5 6 ASP B 64 ? ASP B 107 . ? 1_555 ? 109 CC5 6 TYR B 101 ? TYR B 217 . ? 1_555 ? 110 CC6 7 GLU B 237 ? GLU B 370 . ? 1_555 ? 111 CC6 7 ILE B 238 ? ILE B 371 . ? 1_555 ? 112 CC6 7 SER B 242 ? SER B 375 . ? 1_555 ? 113 CC6 7 ASN B 286 ? ASN B 425 . ? 1_555 ? 114 CC6 7 MET B 287 ? MET B 426 . ? 1_555 ? 115 CC6 7 TRP B 288 ? TRP B 427 . ? 1_555 ? 116 CC6 7 GLY B 290 ? GLY B 429 . ? 1_555 ? # _atom_sites.entry_id 4DKV _atom_sites.fract_transf_matrix[1][1] 0.015544 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000472 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014541 _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] 0.010660 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . VAL A 1 1 ? 7.914 19.864 24.685 1.00 80.46 ? 44 VAL A N 1 ATOM 2 C CA . VAL A 1 1 ? 8.450 18.928 23.703 1.00 77.95 ? 44 VAL A CA 1 ATOM 3 C C . VAL A 1 1 ? 9.644 18.169 24.284 1.00 69.31 ? 44 VAL A C 1 ATOM 4 O O . VAL A 1 1 ? 10.430 18.724 25.052 1.00 67.53 ? 44 VAL A O 1 ATOM 5 C CB . VAL A 1 1 ? 8.842 19.651 22.387 1.00 99.26 ? 44 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 1 ? 9.954 20.661 22.631 1.00 99.72 ? 44 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 1 ? 9.241 18.648 21.310 1.00 97.69 ? 44 VAL A CG2 1 ATOM 8 N N . TRP A 1 2 ? 9.765 16.893 23.931 1.00 61.08 ? 45 TRP A N 1 ATOM 9 C CA . TRP A 1 2 ? 10.840 16.063 24.457 1.00 61.12 ? 45 TRP A CA 1 ATOM 10 C C . TRP A 1 2 ? 11.336 15.039 23.443 1.00 53.22 ? 45 TRP A C 1 ATOM 11 O O . TRP A 1 2 ? 10.747 14.864 22.377 1.00 59.54 ? 45 TRP A O 1 ATOM 12 C CB . TRP A 1 2 ? 10.389 15.351 25.736 1.00 65.17 ? 45 TRP A CB 1 ATOM 13 C CG . TRP A 1 2 ? 9.140 14.542 25.561 1.00 68.22 ? 45 TRP A CG 1 ATOM 14 C CD1 . TRP A 1 2 ? 9.026 13.329 24.945 1.00 65.70 ? 45 TRP A CD1 1 ATOM 15 C CD2 . TRP A 1 2 ? 7.826 14.886 26.015 1.00 71.71 ? 45 TRP A CD2 1 ATOM 16 N NE1 . TRP A 1 2 ? 7.723 12.900 24.982 1.00 64.06 ? 45 TRP A NE1 1 ATOM 17 C CE2 . TRP A 1 2 ? 6.965 13.837 25.636 1.00 71.24 ? 45 TRP A CE2 1 ATOM 18 C CE3 . TRP A 1 2 ? 7.294 15.980 26.705 1.00 85.24 ? 45 TRP A CE3 1 ATOM 19 C CZ2 . TRP A 1 2 ? 5.602 13.849 25.922 1.00 82.69 ? 45 TRP A CZ2 1 ATOM 20 C CZ3 . TRP A 1 2 ? 5.940 15.990 26.989 1.00 94.61 ? 45 TRP A CZ3 1 ATOM 21 C CH2 . TRP A 1 2 ? 5.111 14.931 26.597 1.00 93.47 ? 45 TRP A CH2 1 ATOM 22 N N . LYS A 1 3 ? 12.425 14.361 23.793 1.00 45.73 ? 46 LYS A N 1 ATOM 23 C CA . LYS A 1 3 ? 13.004 13.326 22.948 1.00 50.61 ? 46 LYS A CA 1 ATOM 24 C C . LYS A 1 3 ? 13.750 12.323 23.817 1.00 47.04 ? 46 LYS A C 1 ATOM 25 O O . LYS A 1 3 ? 14.182 12.653 24.921 1.00 47.35 ? 46 LYS A O 1 ATOM 26 C CB . LYS A 1 3 ? 13.969 13.940 21.933 1.00 59.44 ? 46 LYS A CB 1 ATOM 27 C CG . LYS A 1 3 ? 15.243 14.497 22.554 1.00 63.24 ? 46 LYS A CG 1 ATOM 28 C CD . LYS A 1 3 ? 16.162 15.105 21.507 1.00 68.08 ? 46 LYS A CD 1 ATOM 29 C CE . LYS A 1 3 ? 17.441 15.633 22.142 1.00 55.18 ? 46 LYS A CE 1 ATOM 30 N NZ . LYS A 1 3 ? 18.296 16.352 21.154 1.00 68.34 ? 46 LYS A NZ 1 ATOM 31 N N . ASP A 1 4 ? 13.901 11.100 23.318 1.00 53.25 ? 47 ASP A N 1 ATOM 32 C CA . ASP A 1 4 ? 14.658 10.074 24.027 1.00 51.67 ? 47 ASP A CA 1 ATOM 33 C C . ASP A 1 4 ? 16.107 10.510 24.211 1.00 44.33 ? 47 ASP A C 1 ATOM 34 O O . ASP A 1 4 ? 16.746 10.984 23.270 1.00 44.99 ? 47 ASP A O 1 ATOM 35 C CB . ASP A 1 4 ? 14.600 8.744 23.272 1.00 50.16 ? 47 ASP A CB 1 ATOM 36 C CG . ASP A 1 4 ? 13.218 8.123 23.293 1.00 55.89 ? 47 ASP A CG 1 ATOM 37 O OD1 . ASP A 1 4 ? 12.249 8.835 23.626 1.00 61.16 ? 47 ASP A OD1 1 ATOM 38 O OD2 . ASP A 1 4 ? 13.100 6.921 22.972 1.00 60.53 ? 47 ASP A OD2 1 ATOM 39 N N . ALA A 1 5 ? 16.622 10.354 25.426 1.00 46.34 ? 48 ALA A N 1 ATOM 40 C CA . ALA A 1 5 ? 17.987 10.770 25.725 1.00 51.40 ? 48 ALA A CA 1 ATOM 41 C C . ALA A 1 5 ? 18.572 10.017 26.913 1.00 44.79 ? 48 ALA A C 1 ATOM 42 O O . ALA A 1 5 ? 17.849 9.585 27.808 1.00 45.27 ? 48 ALA A O 1 ATOM 43 C CB . ALA A 1 5 ? 18.039 12.273 25.974 1.00 46.65 ? 48 ALA A CB 1 ATOM 44 N N . ASP A 1 6 ? 19.892 9.862 26.906 1.00 41.19 ? 49 ASP A N 1 ATOM 45 C CA . ASP A 1 6 ? 20.610 9.288 28.036 1.00 48.06 ? 49 ASP A CA 1 ATOM 46 C C . ASP A 1 6 ? 21.311 10.398 28.808 1.00 49.80 ? 49 ASP A C 1 ATOM 47 O O . ASP A 1 6 ? 21.923 11.287 28.214 1.00 48.47 ? 49 ASP A O 1 ATOM 48 C CB . ASP A 1 6 ? 21.639 8.259 27.561 1.00 47.27 ? 49 ASP A CB 1 ATOM 49 C CG . ASP A 1 6 ? 20.999 7.041 26.926 1.00 46.22 ? 49 ASP A CG 1 ATOM 50 O OD1 . ASP A 1 6 ? 19.848 6.715 27.285 1.00 48.53 ? 49 ASP A OD1 1 ATOM 51 O OD2 . ASP A 1 6 ? 21.651 6.407 26.070 1.00 60.29 ? 49 ASP A OD2 1 ATOM 52 N N . THR A 1 7 ? 21.217 10.348 30.131 1.00 44.07 ? 50 THR A N 1 ATOM 53 C CA . THR A 1 7 ? 21.881 11.332 30.973 1.00 41.73 ? 50 THR A CA 1 ATOM 54 C C . THR A 1 7 ? 22.340 10.708 32.283 1.00 42.31 ? 50 THR A C 1 ATOM 55 O O . THR A 1 7 ? 21.905 9.616 32.651 1.00 42.96 ? 50 THR A O 1 ATOM 56 C CB . THR A 1 7 ? 20.962 12.531 31.283 1.00 45.60 ? 50 THR A CB 1 ATOM 57 O OG1 . THR A 1 7 ? 21.690 13.512 32.031 1.00 55.77 ? 50 THR A OG1 1 ATOM 58 C CG2 . THR A 1 7 ? 19.753 12.082 32.090 1.00 39.33 ? 50 THR A CG2 1 ATOM 59 N N . THR A 1 8 ? 23.227 11.406 32.980 1.00 40.46 ? 51 THR A N 1 ATOM 60 C CA . THR A 1 8 ? 23.704 10.955 34.279 1.00 47.08 ? 51 THR A CA 1 ATOM 61 C C . THR A 1 8 ? 22.620 11.125 35.337 1.00 41.07 ? 51 THR A C 1 ATOM 62 O O . THR A 1 8 ? 22.251 12.247 35.687 1.00 52.37 ? 51 THR A O 1 ATOM 63 C CB . THR A 1 8 ? 24.956 11.729 34.705 1.00 53.22 ? 51 THR A CB 1 ATOM 64 O OG1 . THR A 1 8 ? 24.750 13.126 34.463 1.00 58.20 ? 51 THR A OG1 1 ATOM 65 C CG2 . THR A 1 8 ? 26.165 11.262 33.910 1.00 49.70 ? 51 THR A CG2 1 ATOM 66 N N . LEU A 1 9 ? 22.112 10.007 35.839 1.00 33.55 ? 52 LEU A N 1 ATOM 67 C CA . LEU A 1 9 ? 21.066 10.024 36.855 1.00 28.67 ? 52 LEU A CA 1 ATOM 68 C C . LEU A 1 9 ? 21.663 10.154 38.250 1.00 39.21 ? 52 LEU A C 1 ATOM 69 O O . LEU A 1 9 ? 22.851 9.898 38.452 1.00 37.82 ? 52 LEU A O 1 ATOM 70 C CB . LEU A 1 9 ? 20.243 8.735 36.789 1.00 27.90 ? 52 LEU A CB 1 ATOM 71 C CG . LEU A 1 9 ? 19.655 8.336 35.435 1.00 35.74 ? 52 LEU A CG 1 ATOM 72 C CD1 . LEU A 1 9 ? 18.869 7.039 35.558 1.00 29.37 ? 52 LEU A CD1 1 ATOM 73 C CD2 . LEU A 1 9 ? 18.780 9.444 34.884 1.00 34.77 ? 52 LEU A CD2 1 ATOM 74 N N . PHE A 1 10 ? 20.837 10.553 39.212 1.00 32.06 ? 53 PHE A N 1 ATOM 75 C CA . PHE A 1 10 ? 21.232 10.480 40.613 1.00 35.34 ? 53 PHE A CA 1 ATOM 76 C C . PHE A 1 10 ? 20.258 9.592 41.374 1.00 36.36 ? 53 PHE A C 1 ATOM 77 O O . PHE A 1 10 ? 19.223 9.193 40.836 1.00 33.52 ? 53 PHE A O 1 ATOM 78 C CB . PHE A 1 10 ? 21.357 11.870 41.247 1.00 32.13 ? 53 PHE A CB 1 ATOM 79 C CG . PHE A 1 10 ? 20.048 12.596 41.421 1.00 43.59 ? 53 PHE A CG 1 ATOM 80 C CD1 . PHE A 1 10 ? 19.526 13.368 40.395 1.00 49.88 ? 53 PHE A CD1 1 ATOM 81 C CD2 . PHE A 1 10 ? 19.359 12.533 42.622 1.00 39.47 ? 53 PHE A CD2 1 ATOM 82 C CE1 . PHE A 1 10 ? 18.329 14.048 40.558 1.00 43.96 ? 53 PHE A CE1 1 ATOM 83 C CE2 . PHE A 1 10 ? 18.164 13.209 42.791 1.00 38.54 ? 53 PHE A CE2 1 ATOM 84 C CZ . PHE A 1 10 ? 17.650 13.969 41.758 1.00 40.46 ? 53 PHE A CZ 1 ATOM 85 N N . CYS A 1 11 ? 20.595 9.262 42.616 1.00 27.48 ? 54 CYS A N 1 ATOM 86 C CA . CYS A 1 11 ? 19.749 8.372 43.403 1.00 24.57 ? 54 CYS A CA 1 ATOM 87 C C . CYS A 1 11 ? 19.216 9.021 44.677 1.00 37.35 ? 54 CYS A C 1 ATOM 88 O O . CYS A 1 11 ? 19.783 9.993 45.182 1.00 32.90 ? 54 CYS A O 1 ATOM 89 C CB . CYS A 1 11 ? 20.480 7.065 43.730 1.00 24.99 ? 54 CYS A CB 1 ATOM 90 S SG . CYS A 1 11 ? 21.983 7.257 44.710 1.00 39.61 ? 54 CYS A SG 1 ATOM 91 N N . ALA A 1 12 ? 18.114 8.475 45.179 1.00 35.16 ? 55 ALA A N 1 ATOM 92 C CA . ALA A 1 12 ? 17.510 8.934 46.423 1.00 38.76 ? 55 ALA A CA 1 ATOM 93 C C . ALA A 1 12 ? 17.109 7.735 47.272 1.00 39.52 ? 55 ALA A C 1 ATOM 94 O O . ALA A 1 12 ? 16.738 6.689 46.740 1.00 37.52 ? 55 ALA A O 1 ATOM 95 C CB . ALA A 1 12 ? 16.302 9.814 46.137 1.00 36.12 ? 55 ALA A CB 1 ATOM 96 N N . SER A 1 13 ? 17.185 7.884 48.590 1.00 33.27 ? 56 SER A N 1 ATOM 97 C CA . SER A 1 13 ? 16.849 6.788 49.492 1.00 32.63 ? 56 SER A CA 1 ATOM 98 C C . SER A 1 13 ? 16.476 7.287 50.882 1.00 44.85 ? 56 SER A C 1 ATOM 99 O O . SER A 1 13 ? 16.584 8.477 51.179 1.00 48.15 ? 56 SER A O 1 ATOM 100 C CB . SER A 1 13 ? 18.017 5.809 49.603 1.00 40.19 ? 56 SER A CB 1 ATOM 101 O OG . SER A 1 13 ? 19.031 6.331 50.445 1.00 51.44 ? 56 SER A OG 1 ATOM 102 N N . ASP A 1 14 ? 16.040 6.363 51.731 1.00 38.54 ? 57 ASP A N 1 ATOM 103 C CA . ASP A 1 14 ? 15.737 6.670 53.120 1.00 46.14 ? 57 ASP A CA 1 ATOM 104 C C . ASP A 1 14 ? 16.762 6.008 54.032 1.00 44.77 ? 57 ASP A C 1 ATOM 105 O O . ASP A 1 14 ? 16.435 5.562 55.132 1.00 51.27 ? 57 ASP A O 1 ATOM 106 C CB . ASP A 1 14 ? 14.326 6.199 53.475 1.00 52.06 ? 57 ASP A CB 1 ATOM 107 C CG . ASP A 1 14 ? 13.255 6.937 52.696 1.00 52.73 ? 57 ASP A CG 1 ATOM 108 O OD1 . ASP A 1 14 ? 13.394 8.165 52.512 1.00 52.73 ? 57 ASP A OD1 1 ATOM 109 O OD2 . ASP A 1 14 ? 12.276 6.290 52.266 1.00 49.50 ? 57 ASP A OD2 1 ATOM 110 N N . ALA A 1 15 ? 18.005 5.950 53.564 1.00 39.77 ? 58 ALA A N 1 ATOM 111 C CA . ALA A 1 15 ? 19.093 5.332 54.316 1.00 40.91 ? 58 ALA A CA 1 ATOM 112 C C . ALA A 1 15 ? 19.322 6.021 55.655 1.00 40.86 ? 58 ALA A C 1 ATOM 113 O O . ALA A 1 15 ? 19.063 7.215 55.805 1.00 51.14 ? 58 ALA A O 1 ATOM 114 C CB . ALA A 1 15 ? 20.372 5.337 53.494 1.00 35.66 ? 58 ALA A CB 1 ATOM 115 N N . LYS A 1 16 ? 19.813 5.260 56.627 1.00 42.88 ? 59 LYS A N 1 ATOM 116 C CA . LYS A 1 16 ? 20.095 5.803 57.950 1.00 50.52 ? 59 LYS A CA 1 ATOM 117 C C . LYS A 1 16 ? 21.592 6.026 58.131 1.00 42.53 ? 59 LYS A C 1 ATOM 118 O O . LYS A 1 16 ? 22.397 5.123 57.902 1.00 40.79 ? 59 LYS A O 1 ATOM 119 C CB . LYS A 1 16 ? 19.561 4.870 59.038 1.00 56.29 ? 59 LYS A CB 1 ATOM 120 C CG . LYS A 1 16 ? 18.060 4.642 58.968 1.00 66.00 ? 59 LYS A CG 1 ATOM 121 C CD . LYS A 1 16 ? 17.593 3.697 60.059 1.00 84.09 ? 59 LYS A CD 1 ATOM 122 C CE . LYS A 1 16 ? 16.088 3.491 59.999 1.00 94.32 ? 59 LYS A CE 1 ATOM 123 N NZ . LYS A 1 16 ? 15.612 2.569 61.066 1.00 98.84 ? 59 LYS A NZ 1 ATOM 124 N N . ALA A 1 17 ? 21.956 7.234 58.549 1.00 45.44 ? 60 ALA A N 1 ATOM 125 C CA . ALA A 1 17 ? 23.357 7.610 58.696 1.00 46.71 ? 60 ALA A CA 1 ATOM 126 C C . ALA A 1 17 ? 24.061 6.841 59.811 1.00 54.80 ? 60 ALA A C 1 ATOM 127 O O . ALA A 1 17 ? 25.277 6.653 59.770 1.00 56.58 ? 60 ALA A O 1 ATOM 128 C CB . ALA A 1 17 ? 23.479 9.109 58.930 1.00 50.82 ? 60 ALA A CB 1 ATOM 129 N N . HIS A 1 18 ? 23.296 6.395 60.802 1.00 55.08 ? 61 HIS A N 1 ATOM 130 C CA . HIS A 1 18 ? 23.869 5.721 61.964 1.00 55.11 ? 61 HIS A CA 1 ATOM 131 C C . HIS A 1 18 ? 23.962 4.214 61.762 1.00 51.60 ? 61 HIS A C 1 ATOM 132 O O . HIS A 1 18 ? 24.632 3.517 62.524 1.00 66.64 ? 61 HIS A O 1 ATOM 133 C CB . HIS A 1 18 ? 23.053 6.031 63.222 1.00 58.87 ? 61 HIS A CB 1 ATOM 134 C CG . HIS A 1 18 ? 21.656 5.496 63.182 1.00 69.29 ? 61 HIS A CG 1 ATOM 135 N ND1 . HIS A 1 18 ? 21.350 4.187 63.492 1.00 78.92 ? 61 HIS A ND1 1 ATOM 136 C CD2 . HIS A 1 18 ? 20.481 6.090 62.866 1.00 72.68 ? 61 HIS A CD2 1 ATOM 137 C CE1 . HIS A 1 18 ? 20.048 4.001 63.370 1.00 83.26 ? 61 HIS A CE1 1 ATOM 138 N NE2 . HIS A 1 18 ? 19.498 5.139 62.991 1.00 81.23 ? 61 HIS A NE2 1 ATOM 139 N N . GLU A 1 19 ? 23.286 3.717 60.734 1.00 47.65 ? 62 GLU A N 1 ATOM 140 C CA . GLU A 1 19 ? 23.259 2.288 60.450 1.00 49.88 ? 62 GLU A CA 1 ATOM 141 C C . GLU A 1 19 ? 24.580 1.812 59.845 1.00 49.39 ? 62 GLU A C 1 ATOM 142 O O . GLU A 1 19 ? 25.153 2.478 58.983 1.00 46.43 ? 62 GLU A O 1 ATOM 143 C CB . GLU A 1 19 ? 22.094 1.958 59.515 1.00 52.93 ? 62 GLU A CB 1 ATOM 144 C CG . GLU A 1 19 ? 21.942 0.482 59.200 1.00 65.71 ? 62 GLU A CG 1 ATOM 145 C CD . GLU A 1 19 ? 21.643 -0.356 60.428 1.00 66.59 ? 62 GLU A CD 1 ATOM 146 O OE1 . GLU A 1 19 ? 20.926 0.135 61.325 1.00 84.37 ? 62 GLU A OE1 1 ATOM 147 O OE2 . GLU A 1 19 ? 22.128 -1.505 60.497 1.00 64.98 ? 62 GLU A OE2 1 ATOM 148 N N . THR A 1 20 ? 25.057 0.659 60.303 1.00 50.73 ? 63 THR A N 1 ATOM 149 C CA . THR A 1 20 ? 26.306 0.092 59.806 1.00 41.15 ? 63 THR A CA 1 ATOM 150 C C . THR A 1 20 ? 26.072 -0.839 58.619 1.00 47.03 ? 63 THR A C 1 ATOM 151 O O . THR A 1 20 ? 27.023 -1.287 57.978 1.00 45.69 ? 63 THR A O 1 ATOM 152 C CB . THR A 1 20 ? 27.059 -0.682 60.905 1.00 43.59 ? 63 THR A CB 1 ATOM 153 O OG1 . THR A 1 20 ? 26.218 -1.719 61.424 1.00 48.62 ? 63 THR A OG1 1 ATOM 154 C CG2 . THR A 1 20 ? 27.466 0.251 62.038 1.00 47.32 ? 63 THR A CG2 1 ATOM 155 N N . GLU A 1 21 ? 24.805 -1.136 58.339 1.00 44.75 ? 64 GLU A N 1 ATOM 156 C CA . GLU A 1 21 ? 24.449 -1.963 57.189 1.00 39.67 ? 64 GLU A CA 1 ATOM 157 C C . GLU A 1 21 ? 24.955 -1.302 55.908 1.00 39.69 ? 64 GLU A C 1 ATOM 158 O O . GLU A 1 21 ? 24.737 -0.111 55.684 1.00 38.23 ? 64 GLU A O 1 ATOM 159 C CB . GLU A 1 21 ? 22.934 -2.190 57.137 1.00 35.94 ? 64 GLU A CB 1 ATOM 160 C CG . GLU A 1 21 ? 22.488 -3.275 56.166 1.00 40.14 ? 64 GLU A CG 1 ATOM 161 C CD . GLU A 1 21 ? 22.475 -2.797 54.731 1.00 45.61 ? 64 GLU A CD 1 ATOM 162 O OE1 . GLU A 1 21 ? 22.165 -1.606 54.513 1.00 33.90 ? 64 GLU A OE1 1 ATOM 163 O OE2 . GLU A 1 21 ? 22.787 -3.604 53.829 1.00 48.74 ? 64 GLU A OE2 1 ATOM 164 N N . VAL A 1 22 ? 25.628 -2.089 55.074 1.00 30.32 ? 65 VAL A N 1 ATOM 165 C CA . VAL A 1 22 ? 26.402 -1.560 53.952 1.00 29.31 ? 65 VAL A CA 1 ATOM 166 C C . VAL A 1 22 ? 25.609 -0.804 52.881 1.00 38.01 ? 65 VAL A C 1 ATOM 167 O O . VAL A 1 22 ? 26.129 0.132 52.273 1.00 38.70 ? 65 VAL A O 1 ATOM 168 C CB . VAL A 1 22 ? 27.247 -2.661 53.286 1.00 40.34 ? 65 VAL A CB 1 ATOM 169 C CG1 . VAL A 1 22 ? 28.344 -3.128 54.232 1.00 35.60 ? 65 VAL A CG1 1 ATOM 170 C CG2 . VAL A 1 22 ? 26.369 -3.827 52.850 1.00 38.94 ? 65 VAL A CG2 1 ATOM 171 N N . HIS A 1 23 ? 24.364 -1.207 52.643 1.00 26.27 ? 66 HIS A N 1 ATOM 172 C CA . HIS A 1 23 ? 23.518 -0.490 51.695 1.00 35.40 ? 66 HIS A CA 1 ATOM 173 C C . HIS A 1 23 ? 23.178 0.892 52.241 1.00 37.64 ? 66 HIS A C 1 ATOM 174 O O . HIS A 1 23 ? 23.191 1.881 51.506 1.00 31.92 ? 66 HIS A O 1 ATOM 175 C CB . HIS A 1 23 ? 22.235 -1.270 51.391 1.00 31.71 ? 66 HIS A CB 1 ATOM 176 C CG . HIS A 1 23 ? 22.466 -2.562 50.673 1.00 38.33 ? 66 HIS A CG 1 ATOM 177 N ND1 . HIS A 1 23 ? 22.817 -3.724 51.324 1.00 41.44 ? 66 HIS A ND1 1 ATOM 178 C CD2 . HIS A 1 23 ? 22.389 -2.876 49.357 1.00 39.34 ? 66 HIS A CD2 1 ATOM 179 C CE1 . HIS A 1 23 ? 22.948 -4.699 50.441 1.00 41.00 ? 66 HIS A CE1 1 ATOM 180 N NE2 . HIS A 1 23 ? 22.695 -4.210 49.241 1.00 37.53 ? 66 HIS A NE2 1 ATOM 181 N N . ASN A 1 24 ? 22.875 0.954 53.536 1.00 32.81 ? 67 ASN A N 1 ATOM 182 C CA . ASN A 1 24 ? 22.635 2.226 54.209 1.00 37.60 ? 67 ASN A CA 1 ATOM 183 C C . ASN A 1 24 ? 23.853 3.141 54.128 1.00 40.77 ? 67 ASN A C 1 ATOM 184 O O . ASN A 1 24 ? 23.725 4.337 53.867 1.00 41.70 ? 67 ASN A O 1 ATOM 185 C CB . ASN A 1 24 ? 22.257 2.002 55.675 1.00 38.19 ? 67 ASN A CB 1 ATOM 186 C CG . ASN A 1 24 ? 20.826 1.535 55.847 1.00 38.42 ? 67 ASN A CG 1 ATOM 187 O OD1 . ASN A 1 24 ? 19.921 2.341 56.065 1.00 44.02 ? 67 ASN A OD1 1 ATOM 188 N ND2 . ASN A 1 24 ? 20.613 0.228 55.756 1.00 41.11 ? 67 ASN A ND2 1 ATOM 189 N N . VAL A 1 25 ? 25.030 2.565 54.352 1.00 32.75 ? 68 VAL A N 1 ATOM 190 C CA . VAL A 1 25 ? 26.281 3.316 54.310 1.00 39.90 ? 68 VAL A CA 1 ATOM 191 C C . VAL A 1 25 ? 26.555 3.866 52.912 1.00 40.58 ? 68 VAL A C 1 ATOM 192 O O . VAL A 1 25 ? 26.923 5.032 52.756 1.00 43.82 ? 68 VAL A O 1 ATOM 193 C CB . VAL A 1 25 ? 27.472 2.449 54.772 1.00 42.88 ? 68 VAL A CB 1 ATOM 194 C CG1 . VAL A 1 25 ? 28.793 3.152 54.491 1.00 47.02 ? 68 VAL A CG1 1 ATOM 195 C CG2 . VAL A 1 25 ? 27.343 2.121 56.254 1.00 44.66 ? 68 VAL A CG2 1 ATOM 196 N N . TRP A 1 26 ? 26.368 3.022 51.901 1.00 31.94 ? 69 TRP A N 1 ATOM 197 C CA . TRP A 1 26 ? 26.598 3.426 50.519 1.00 42.14 ? 69 TRP A CA 1 ATOM 198 C C . TRP A 1 26 ? 25.664 4.563 50.115 1.00 41.89 ? 69 TRP A C 1 ATOM 199 O O . TRP A 1 26 ? 26.109 5.587 49.603 1.00 36.40 ? 69 TRP A O 1 ATOM 200 C CB . TRP A 1 26 ? 26.424 2.242 49.564 1.00 35.34 ? 69 TRP A CB 1 ATOM 201 C CG . TRP A 1 26 ? 26.692 2.602 48.132 1.00 36.70 ? 69 TRP A CG 1 ATOM 202 C CD1 . TRP A 1 26 ? 27.903 2.607 47.502 1.00 33.76 ? 69 TRP A CD1 1 ATOM 203 C CD2 . TRP A 1 26 ? 25.730 3.023 47.157 1.00 34.05 ? 69 TRP A CD2 1 ATOM 204 N NE1 . TRP A 1 26 ? 27.755 3.001 46.194 1.00 31.27 ? 69 TRP A NE1 1 ATOM 205 C CE2 . TRP A 1 26 ? 26.430 3.261 45.957 1.00 38.43 ? 69 TRP A CE2 1 ATOM 206 C CE3 . TRP A 1 26 ? 24.346 3.217 47.180 1.00 33.66 ? 69 TRP A CE3 1 ATOM 207 C CZ2 . TRP A 1 26 ? 25.792 3.685 44.790 1.00 35.34 ? 69 TRP A CZ2 1 ATOM 208 C CZ3 . TRP A 1 26 ? 23.713 3.638 46.022 1.00 34.14 ? 69 TRP A CZ3 1 ATOM 209 C CH2 . TRP A 1 26 ? 24.437 3.868 44.844 1.00 31.15 ? 69 TRP A CH2 1 ATOM 210 N N . ALA A 1 27 ? 24.371 4.377 50.363 1.00 27.64 ? 70 ALA A N 1 ATOM 211 C CA . ALA A 1 27 ? 23.365 5.367 49.986 1.00 39.36 ? 70 ALA A CA 1 ATOM 212 C C . ALA A 1 27 ? 23.500 6.672 50.766 1.00 37.69 ? 70 ALA A C 1 ATOM 213 O O . ALA A 1 27 ? 23.137 7.737 50.265 1.00 38.81 ? 70 ALA A O 1 ATOM 214 C CB . ALA A 1 27 ? 21.966 4.791 50.150 1.00 39.06 ? 70 ALA A CB 1 ATOM 215 N N . THR A 1 28 ? 24.014 6.589 51.990 1.00 32.50 ? 71 THR A N 1 ATOM 216 C CA . THR A 1 28 ? 24.214 7.778 52.815 1.00 35.75 ? 71 THR A CA 1 ATOM 217 C C . THR A 1 28 ? 25.217 8.724 52.157 1.00 44.59 ? 71 THR A C 1 ATOM 218 O O . THR A 1 28 ? 25.072 9.945 52.219 1.00 41.28 ? 71 THR A O 1 ATOM 219 C CB . THR A 1 28 ? 24.699 7.408 54.238 1.00 47.74 ? 71 THR A CB 1 ATOM 220 O OG1 . THR A 1 28 ? 23.700 6.623 54.901 1.00 44.14 ? 71 THR A OG1 1 ATOM 221 C CG2 . THR A 1 28 ? 24.974 8.658 55.063 1.00 47.18 ? 71 THR A CG2 1 ATOM 222 N N . HIS A 1 29 ? 26.223 8.149 51.507 1.00 38.66 ? 72 HIS A N 1 ATOM 223 C CA . HIS A 1 29 ? 27.262 8.943 50.864 1.00 43.89 ? 72 HIS A CA 1 ATOM 224 C C . HIS A 1 29 ? 27.016 9.145 49.369 1.00 46.85 ? 72 HIS A C 1 ATOM 225 O O . HIS A 1 29 ? 27.606 10.035 48.756 1.00 55.11 ? 72 HIS A O 1 ATOM 226 C CB . HIS A 1 29 ? 28.635 8.301 51.084 1.00 51.03 ? 72 HIS A CB 1 ATOM 227 C CG . HIS A 1 29 ? 29.024 8.186 52.526 1.00 66.09 ? 72 HIS A CG 1 ATOM 228 N ND1 . HIS A 1 29 ? 28.612 7.145 53.329 1.00 66.39 ? 72 HIS A ND1 1 ATOM 229 C CD2 . HIS A 1 29 ? 29.787 8.984 53.310 1.00 64.14 ? 72 HIS A CD2 1 ATOM 230 C CE1 . HIS A 1 29 ? 29.104 7.305 54.544 1.00 66.70 ? 72 HIS A CE1 1 ATOM 231 N NE2 . HIS A 1 29 ? 29.822 8.414 54.559 1.00 67.47 ? 72 HIS A NE2 1 ATOM 232 N N . ALA A 1 30 ? 26.143 8.327 48.785 1.00 37.34 ? 73 ALA A N 1 ATOM 233 C CA . ALA A 1 30 ? 25.936 8.354 47.336 1.00 43.47 ? 73 ALA A CA 1 ATOM 234 C C . ALA A 1 30 ? 24.559 8.853 46.892 1.00 45.91 ? 73 ALA A C 1 ATOM 235 O O . ALA A 1 30 ? 24.345 9.097 45.705 1.00 44.54 ? 73 ALA A O 1 ATOM 236 C CB . ALA A 1 30 ? 26.217 6.980 46.735 1.00 35.64 ? 73 ALA A CB 1 ATOM 237 N N . CYS A 1 31 ? 23.633 9.011 47.833 1.00 40.85 ? 74 CYS A N 1 ATOM 238 C CA . CYS A 1 31 ? 22.272 9.415 47.489 1.00 35.79 ? 74 CYS A CA 1 ATOM 239 C C . CYS A 1 31 ? 21.780 10.607 48.308 1.00 42.37 ? 74 CYS A C 1 ATOM 240 O O . CYS A 1 31 ? 22.421 11.022 49.273 1.00 42.29 ? 74 CYS A O 1 ATOM 241 C CB . CYS A 1 31 ? 21.301 8.240 47.650 1.00 33.70 ? 74 CYS A CB 1 ATOM 242 S SG . CYS A 1 31 ? 21.708 6.776 46.667 1.00 37.78 ? 74 CYS A SG 1 ATOM 243 N N . VAL A 1 32 ? 20.639 11.154 47.901 1.00 43.99 ? 75 VAL A N 1 ATOM 244 C CA . VAL A 1 32 ? 19.990 12.244 48.620 1.00 36.53 ? 75 VAL A CA 1 ATOM 245 C C . VAL A 1 32 ? 18.705 11.721 49.265 1.00 38.96 ? 75 VAL A C 1 ATOM 246 O O . VAL A 1 32 ? 18.256 10.623 48.938 1.00 43.32 ? 75 VAL A O 1 ATOM 247 C CB . VAL A 1 32 ? 19.664 13.417 47.669 1.00 37.87 ? 75 VAL A CB 1 ATOM 248 C CG1 . VAL A 1 32 ? 20.945 14.054 47.153 1.00 52.40 ? 75 VAL A CG1 1 ATOM 249 C CG2 . VAL A 1 32 ? 18.787 12.947 46.522 1.00 35.40 ? 75 VAL A CG2 1 ATOM 250 N N . PRO A 1 33 ? 18.121 12.484 50.207 1.00 42.22 ? 76 PRO A N 1 ATOM 251 C CA . PRO A 1 33 ? 16.838 12.061 50.780 1.00 39.58 ? 76 PRO A CA 1 ATOM 252 C C . PRO A 1 33 ? 15.735 11.990 49.728 1.00 42.04 ? 76 PRO A C 1 ATOM 253 O O . PRO A 1 33 ? 15.761 12.756 48.764 1.00 41.09 ? 76 PRO A O 1 ATOM 254 C CB . PRO A 1 33 ? 16.523 13.172 51.783 1.00 44.62 ? 76 PRO A CB 1 ATOM 255 C CG . PRO A 1 33 ? 17.854 13.710 52.171 1.00 45.45 ? 76 PRO A CG 1 ATOM 256 C CD . PRO A 1 33 ? 18.688 13.640 50.925 1.00 42.99 ? 76 PRO A CD 1 ATOM 257 N N . THR A 1 34 ? 14.783 11.080 49.912 1.00 46.06 ? 77 THR A N 1 ATOM 258 C CA . THR A 1 34 ? 13.653 10.958 48.996 1.00 43.84 ? 77 THR A CA 1 ATOM 259 C C . THR A 1 34 ? 12.730 12.163 49.096 1.00 46.93 ? 77 THR A C 1 ATOM 260 O O . THR A 1 34 ? 12.784 12.927 50.061 1.00 46.21 ? 77 THR A O 1 ATOM 261 C CB . THR A 1 34 ? 12.812 9.698 49.282 1.00 37.82 ? 77 THR A CB 1 ATOM 262 O OG1 . THR A 1 34 ? 12.279 9.768 50.610 1.00 42.32 ? 77 THR A OG1 1 ATOM 263 C CG2 . THR A 1 34 ? 13.653 8.442 49.137 1.00 34.74 ? 77 THR A CG2 1 ATOM 264 N N . ASP A 1 35 ? 11.879 12.324 48.089 1.00 54.98 ? 78 ASP A N 1 ATOM 265 C CA . ASP A 1 35 ? 10.873 13.377 48.093 1.00 52.26 ? 78 ASP A CA 1 ATOM 266 C C . ASP A 1 35 ? 9.597 12.827 48.720 1.00 53.50 ? 78 ASP A C 1 ATOM 267 O O . ASP A 1 35 ? 9.019 11.867 48.212 1.00 55.71 ? 78 ASP A O 1 ATOM 268 C CB . ASP A 1 35 ? 10.603 13.851 46.663 1.00 44.43 ? 78 ASP A CB 1 ATOM 269 C CG . ASP A 1 35 ? 9.887 15.190 46.611 1.00 55.80 ? 78 ASP A CG 1 ATOM 270 O OD1 . ASP A 1 35 ? 9.086 15.485 47.522 1.00 55.04 ? 78 ASP A OD1 1 ATOM 271 O OD2 . ASP A 1 35 ? 10.128 15.951 45.651 1.00 62.46 ? 78 ASP A OD2 1 ATOM 272 N N . PRO A 1 36 ? 9.161 13.428 49.838 1.00 57.14 ? 79 PRO A N 1 ATOM 273 C CA . PRO A 1 36 ? 7.939 12.992 50.522 1.00 64.46 ? 79 PRO A CA 1 ATOM 274 C C . PRO A 1 36 ? 6.689 13.260 49.689 1.00 72.73 ? 79 PRO A C 1 ATOM 275 O O . PRO A 1 36 ? 5.745 12.471 49.732 1.00 76.58 ? 79 PRO A O 1 ATOM 276 C CB . PRO A 1 36 ? 7.926 13.848 51.793 1.00 67.59 ? 79 PRO A CB 1 ATOM 277 C CG . PRO A 1 36 ? 8.743 15.046 51.453 1.00 69.20 ? 79 PRO A CG 1 ATOM 278 C CD . PRO A 1 36 ? 9.815 14.550 50.531 1.00 64.20 ? 79 PRO A CD 1 ATOM 279 N N . ASN A 1 37 ? 6.688 14.360 48.941 1.00 71.26 ? 80 ASN A N 1 ATOM 280 C CA . ASN A 1 37 ? 5.562 14.711 48.078 1.00 67.14 ? 80 ASN A CA 1 ATOM 281 C C . ASN A 1 37 ? 5.963 14.787 46.605 1.00 57.83 ? 80 ASN A C 1 ATOM 282 O O . ASN A 1 37 ? 5.977 15.874 46.025 1.00 53.59 ? 80 ASN A O 1 ATOM 283 C CB . ASN A 1 37 ? 4.957 16.054 48.503 1.00 74.45 ? 80 ASN A CB 1 ATOM 284 C CG . ASN A 1 37 ? 4.386 16.028 49.909 1.00 94.52 ? 80 ASN A CG 1 ATOM 285 O OD1 . ASN A 1 37 ? 4.695 15.142 50.705 1.00 100.46 ? 80 ASN A OD1 1 ATOM 286 N ND2 . ASN A 1 37 ? 3.548 17.010 50.223 1.00 110.95 ? 80 ASN A ND2 1 ATOM 287 N N . PRO A 1 38 ? 6.278 13.634 45.989 1.00 56.31 ? 81 PRO A N 1 ATOM 288 C CA . PRO A 1 38 ? 6.751 13.645 44.601 1.00 62.29 ? 81 PRO A CA 1 ATOM 289 C C . PRO A 1 38 ? 5.631 13.963 43.617 1.00 68.14 ? 81 PRO A C 1 ATOM 290 O O . PRO A 1 38 ? 4.525 13.439 43.746 1.00 74.22 ? 81 PRO A O 1 ATOM 291 C CB . PRO A 1 38 ? 7.245 12.212 44.394 1.00 44.63 ? 81 PRO A CB 1 ATOM 292 C CG . PRO A 1 38 ? 6.406 11.400 45.313 1.00 51.65 ? 81 PRO A CG 1 ATOM 293 C CD . PRO A 1 38 ? 6.152 12.264 46.518 1.00 44.42 ? 81 PRO A CD 1 ATOM 294 N N . GLN A 1 39 ? 5.920 14.822 42.644 1.00 66.67 ? 82 GLN A N 1 ATOM 295 C CA . GLN A 1 39 ? 4.934 15.189 41.638 1.00 78.08 ? 82 GLN A CA 1 ATOM 296 C C . GLN A 1 39 ? 4.888 14.158 40.516 1.00 75.16 ? 82 GLN A C 1 ATOM 297 O O . GLN A 1 39 ? 5.910 13.575 40.152 1.00 70.94 ? 82 GLN A O 1 ATOM 298 C CB . GLN A 1 39 ? 5.241 16.573 41.062 1.00 85.77 ? 82 GLN A CB 1 ATOM 299 C CG . GLN A 1 39 ? 5.226 17.692 42.088 1.00 104.72 ? 82 GLN A CG 1 ATOM 300 C CD . GLN A 1 39 ? 5.594 19.031 41.485 1.00 116.75 ? 82 GLN A CD 1 ATOM 301 O OE1 . GLN A 1 39 ? 6.145 19.099 40.386 1.00 117.53 ? 82 GLN A OE1 1 ATOM 302 N NE2 . GLN A 1 39 ? 5.286 20.108 42.199 1.00 123.55 ? 82 GLN A NE2 1 ATOM 303 N N . GLU A 1 40 ? 3.695 13.934 39.975 1.00 73.14 ? 83 GLU A N 1 ATOM 304 C CA . GLU A 1 40 ? 3.524 13.028 38.847 1.00 59.47 ? 83 GLU A CA 1 ATOM 305 C C . GLU A 1 40 ? 2.461 13.560 37.901 1.00 63.67 ? 83 GLU A C 1 ATOM 306 O O . GLU A 1 40 ? 1.305 13.731 38.285 1.00 71.35 ? 83 GLU A O 1 ATOM 307 C CB . GLU A 1 40 ? 3.146 11.626 39.327 1.00 54.42 ? 83 GLU A CB 1 ATOM 308 C CG . GLU A 1 40 ? 2.887 10.639 38.199 1.00 56.65 ? 83 GLU A CG 1 ATOM 309 C CD . GLU A 1 40 ? 2.711 9.218 38.697 1.00 55.61 ? 83 GLU A CD 1 ATOM 310 O OE1 . GLU A 1 40 ? 2.639 9.026 39.928 1.00 57.96 ? 83 GLU A OE1 1 ATOM 311 O OE2 . GLU A 1 40 ? 2.649 8.294 37.858 1.00 48.81 ? 83 GLU A OE2 1 ATOM 312 N N . ILE A 1 41 ? 2.857 13.826 36.662 1.00 61.97 ? 84 ILE A N 1 ATOM 313 C CA . ILE A 1 41 ? 1.932 14.335 35.660 1.00 58.03 ? 84 ILE A CA 1 ATOM 314 C C . ILE A 1 41 ? 1.542 13.240 34.679 1.00 51.45 ? 84 ILE A C 1 ATOM 315 O O . ILE A 1 41 ? 2.389 12.704 33.962 1.00 44.22 ? 84 ILE A O 1 ATOM 316 C CB . ILE A 1 41 ? 2.535 15.513 34.877 1.00 52.88 ? 84 ILE A CB 1 ATOM 317 C CG1 . ILE A 1 41 ? 3.024 16.600 35.836 1.00 56.11 ? 84 ILE A CG1 1 ATOM 318 C CG2 . ILE A 1 41 ? 1.518 16.078 33.896 1.00 50.95 ? 84 ILE A CG2 1 ATOM 319 C CD1 . ILE A 1 41 ? 3.671 17.780 35.141 1.00 60.62 ? 84 ILE A CD1 1 ATOM 320 N N . HIS A 1 42 ? 0.256 12.904 34.654 1.00 47.53 ? 85 HIS A N 1 ATOM 321 C CA . HIS A 1 42 ? -0.260 11.935 33.696 1.00 53.51 ? 85 HIS A CA 1 ATOM 322 C C . HIS A 1 42 ? -0.514 12.609 32.353 1.00 50.99 ? 85 HIS A C 1 ATOM 323 O O . HIS A 1 42 ? -1.278 13.570 32.263 1.00 52.03 ? 85 HIS A O 1 ATOM 324 C CB . HIS A 1 42 ? -1.533 11.272 34.225 1.00 52.97 ? 85 HIS A CB 1 ATOM 325 C CG . HIS A 1 42 ? -1.286 10.296 35.331 1.00 61.59 ? 85 HIS A CG 1 ATOM 326 N ND1 . HIS A 1 42 ? -1.073 8.951 35.104 1.00 63.74 ? 85 HIS A ND1 1 ATOM 327 C CD2 . HIS A 1 42 ? -1.207 10.465 36.672 1.00 58.48 ? 85 HIS A CD2 1 ATOM 328 C CE1 . HIS A 1 42 ? -0.881 8.337 36.257 1.00 64.33 ? 85 HIS A CE1 1 ATOM 329 N NE2 . HIS A 1 42 ? -0.957 9.233 37.225 1.00 64.87 ? 85 HIS A NE2 1 ATOM 330 N N . LEU A 1 43 ? 0.139 12.100 31.314 1.00 53.01 ? 86 LEU A N 1 ATOM 331 C CA . LEU A 1 43 ? 0.082 12.713 29.993 1.00 59.49 ? 86 LEU A CA 1 ATOM 332 C C . LEU A 1 43 ? -1.144 12.262 29.203 1.00 65.05 ? 86 LEU A C 1 ATOM 333 O O . LEU A 1 43 ? -1.347 11.069 28.978 1.00 72.62 ? 86 LEU A O 1 ATOM 334 C CB . LEU A 1 43 ? 1.361 12.405 29.217 1.00 55.40 ? 86 LEU A CB 1 ATOM 335 C CG . LEU A 1 43 ? 2.658 12.753 29.951 1.00 56.70 ? 86 LEU A CG 1 ATOM 336 C CD1 . LEU A 1 43 ? 3.875 12.434 29.094 1.00 51.70 ? 86 LEU A CD1 1 ATOM 337 C CD2 . LEU A 1 43 ? 2.658 14.216 30.375 1.00 56.66 ? 86 LEU A CD2 1 ATOM 338 N N . GLU A 1 44 ? -1.955 13.228 28.786 1.00 65.48 ? 87 GLU A N 1 ATOM 339 C CA . GLU A 1 44 ? -3.182 12.947 28.049 1.00 76.00 ? 87 GLU A CA 1 ATOM 340 C C . GLU A 1 44 ? -2.908 12.740 26.562 1.00 81.03 ? 87 GLU A C 1 ATOM 341 O O . GLU A 1 44 ? -2.154 13.499 25.954 1.00 77.48 ? 87 GLU A O 1 ATOM 342 C CB . GLU A 1 44 ? -4.186 14.088 28.234 1.00 84.15 ? 87 GLU A CB 1 ATOM 343 C CG . GLU A 1 44 ? -5.472 13.926 27.436 1.00 98.60 ? 87 GLU A CG 1 ATOM 344 C CD . GLU A 1 44 ? -6.334 15.176 27.450 1.00 107.63 ? 87 GLU A CD 1 ATOM 345 O OE1 . GLU A 1 44 ? -5.934 16.169 28.091 1.00 110.21 ? 87 GLU A OE1 1 ATOM 346 O OE2 . GLU A 1 44 ? -7.410 15.163 26.815 1.00 108.36 ? 87 GLU A OE2 1 ATOM 347 N N . ASN A 1 45 ? -3.527 11.707 25.995 1.00 89.31 ? 88 ASN A N 1 ATOM 348 C CA . ASN A 1 45 ? -3.443 11.419 24.564 1.00 94.27 ? 88 ASN A CA 1 ATOM 349 C C . ASN A 1 45 ? -2.007 11.266 24.065 1.00 90.59 ? 88 ASN A C 1 ATOM 350 O O . ASN A 1 45 ? -1.677 11.677 22.953 1.00 93.21 ? 88 ASN A O 1 ATOM 351 C CB . ASN A 1 45 ? -4.178 12.498 23.758 1.00 99.30 ? 88 ASN A CB 1 ATOM 352 C CG . ASN A 1 45 ? -4.601 12.016 22.383 1.00 101.19 ? 88 ASN A CG 1 ATOM 353 O OD1 . ASN A 1 45 ? -4.808 10.822 22.166 1.00 99.42 ? 88 ASN A OD1 1 ATOM 354 N ND2 . ASN A 1 45 ? -4.731 12.947 21.445 1.00 102.92 ? 88 ASN A ND2 1 ATOM 355 N N . VAL A 1 46 ? -1.157 10.672 24.896 1.00 87.20 ? 89 VAL A N 1 ATOM 356 C CA . VAL A 1 46 ? 0.252 10.504 24.556 1.00 77.19 ? 89 VAL A CA 1 ATOM 357 C C . VAL A 1 46 ? 0.630 9.035 24.391 1.00 67.67 ? 89 VAL A C 1 ATOM 358 O O . VAL A 1 46 ? 0.369 8.213 25.270 1.00 77.42 ? 89 VAL A O 1 ATOM 359 C CB . VAL A 1 46 ? 1.168 11.153 25.616 1.00 71.15 ? 89 VAL A CB 1 ATOM 360 C CG1 . VAL A 1 46 ? 2.620 10.753 25.391 1.00 66.36 ? 89 VAL A CG1 1 ATOM 361 C CG2 . VAL A 1 46 ? 1.017 12.666 25.591 1.00 69.99 ? 89 VAL A CG2 1 ATOM 362 N N . THR A 1 47 ? 1.239 8.714 23.254 1.00 56.51 ? 90 THR A N 1 ATOM 363 C CA . THR A 1 47 ? 1.744 7.370 23.002 1.00 58.92 ? 90 THR A CA 1 ATOM 364 C C . THR A 1 47 ? 3.268 7.383 22.955 1.00 55.49 ? 90 THR A C 1 ATOM 365 O O . THR A 1 47 ? 3.864 8.070 22.126 1.00 61.51 ? 90 THR A O 1 ATOM 366 C CB . THR A 1 47 ? 1.208 6.802 21.676 1.00 66.46 ? 90 THR A CB 1 ATOM 367 O OG1 . THR A 1 47 ? -0.218 6.673 21.749 1.00 70.62 ? 90 THR A OG1 1 ATOM 368 C CG2 . THR A 1 47 ? 1.821 5.438 21.398 1.00 63.79 ? 90 THR A CG2 1 ATOM 369 N N . GLU A 1 48 ? 3.891 6.625 23.852 1.00 48.26 ? 91 GLU A N 1 ATOM 370 C CA . GLU A 1 48 ? 5.348 6.558 23.923 1.00 46.30 ? 91 GLU A CA 1 ATOM 371 C C . GLU A 1 48 ? 5.858 5.134 23.732 1.00 52.97 ? 91 GLU A C 1 ATOM 372 O O . GLU A 1 48 ? 5.286 4.184 24.267 1.00 52.01 ? 91 GLU A O 1 ATOM 373 C CB . GLU A 1 48 ? 5.846 7.110 25.262 1.00 37.56 ? 91 GLU A CB 1 ATOM 374 C CG . GLU A 1 48 ? 5.759 8.621 25.386 1.00 49.89 ? 91 GLU A CG 1 ATOM 375 C CD . GLU A 1 48 ? 6.813 9.337 24.561 1.00 58.30 ? 91 GLU A CD 1 ATOM 376 O OE1 . GLU A 1 48 ? 7.870 8.732 24.284 1.00 57.32 ? 91 GLU A OE1 1 ATOM 377 O OE2 . GLU A 1 48 ? 6.584 10.508 24.191 1.00 68.19 ? 91 GLU A OE2 1 ATOM 378 N N . ASN A 1 49 ? 6.936 4.993 22.967 1.00 47.64 ? 92 ASN A N 1 ATOM 379 C CA . ASN A 1 49 ? 7.572 3.695 22.778 1.00 39.12 ? 92 ASN A CA 1 ATOM 380 C C . ASN A 1 49 ? 8.625 3.429 23.847 1.00 41.96 ? 92 ASN A C 1 ATOM 381 O O . ASN A 1 49 ? 9.430 4.301 24.170 1.00 46.22 ? 92 ASN A O 1 ATOM 382 C CB . ASN A 1 49 ? 8.205 3.598 21.390 1.00 46.17 ? 92 ASN A CB 1 ATOM 383 C CG . ASN A 1 49 ? 7.178 3.633 20.277 1.00 56.63 ? 92 ASN A CG 1 ATOM 384 O OD1 . ASN A 1 49 ? 6.051 3.165 20.441 1.00 59.43 ? 92 ASN A OD1 1 ATOM 385 N ND2 . ASN A 1 49 ? 7.563 4.188 19.134 1.00 60.80 ? 92 ASN A ND2 1 ATOM 386 N N . PHE A 1 50 ? 8.612 2.219 24.394 1.00 37.68 ? 93 PHE A N 1 ATOM 387 C CA . PHE A 1 50 ? 9.585 1.818 25.401 1.00 38.91 ? 93 PHE A CA 1 ATOM 388 C C . PHE A 1 50 ? 10.360 0.595 24.926 1.00 44.33 ? 93 PHE A C 1 ATOM 389 O O . PHE A 1 50 ? 9.858 -0.196 24.127 1.00 53.97 ? 93 PHE A O 1 ATOM 390 C CB . PHE A 1 50 ? 8.890 1.487 26.725 1.00 31.49 ? 93 PHE A CB 1 ATOM 391 C CG . PHE A 1 50 ? 8.347 2.688 27.452 1.00 36.99 ? 93 PHE A CG 1 ATOM 392 C CD1 . PHE A 1 50 ? 7.187 3.310 27.024 1.00 32.73 ? 93 PHE A CD1 1 ATOM 393 C CD2 . PHE A 1 50 ? 8.988 3.176 28.579 1.00 37.53 ? 93 PHE A CD2 1 ATOM 394 C CE1 . PHE A 1 50 ? 6.682 4.410 27.699 1.00 38.58 ? 93 PHE A CE1 1 ATOM 395 C CE2 . PHE A 1 50 ? 8.489 4.274 29.259 1.00 39.16 ? 93 PHE A CE2 1 ATOM 396 C CZ . PHE A 1 50 ? 7.334 4.891 28.817 1.00 41.08 ? 93 PHE A CZ 1 ATOM 397 N N . ASN A 1 51 ? 11.582 0.444 25.423 1.00 40.96 ? 94 ASN A N 1 ATOM 398 C CA . ASN A 1 51 ? 12.384 -0.741 25.147 1.00 34.37 ? 94 ASN A CA 1 ATOM 399 C C . ASN A 1 51 ? 13.251 -1.091 26.349 1.00 38.70 ? 94 ASN A C 1 ATOM 400 O O . ASN A 1 51 ? 14.369 -0.595 26.485 1.00 35.61 ? 94 ASN A O 1 ATOM 401 C CB . ASN A 1 51 ? 13.243 -0.540 23.896 1.00 37.74 ? 94 ASN A CB 1 ATOM 402 C CG . ASN A 1 51 ? 13.991 -1.799 23.488 1.00 42.08 ? 94 ASN A CG 1 ATOM 403 O OD1 . ASN A 1 51 ? 13.834 -2.858 24.098 1.00 38.39 ? 94 ASN A OD1 1 ATOM 404 N ND2 . ASN A 1 51 ? 14.804 -1.688 22.444 1.00 50.73 ? 94 ASN A ND2 1 ATOM 405 N N . MET A 1 52 ? 12.721 -1.953 27.213 1.00 37.91 ? 95 MET A N 1 ATOM 406 C CA . MET A 1 52 ? 13.388 -2.338 28.455 1.00 37.52 ? 95 MET A CA 1 ATOM 407 C C . MET A 1 52 ? 14.734 -3.013 28.211 1.00 33.02 ? 95 MET A C 1 ATOM 408 O O . MET A 1 52 ? 15.602 -3.014 29.083 1.00 36.01 ? 95 MET A O 1 ATOM 409 C CB . MET A 1 52 ? 12.490 -3.275 29.268 1.00 34.16 ? 95 MET A CB 1 ATOM 410 C CG . MET A 1 52 ? 12.147 -4.575 28.551 1.00 38.03 ? 95 MET A CG 1 ATOM 411 S SD . MET A 1 52 ? 11.207 -5.739 29.558 1.00 35.36 ? 95 MET A SD 1 ATOM 412 C CE . MET A 1 52 ? 12.378 -6.075 30.874 1.00 27.07 ? 95 MET A CE 1 ATOM 413 N N . TRP A 1 53 ? 14.900 -3.586 27.023 1.00 27.81 ? 96 TRP A N 1 ATOM 414 C CA . TRP A 1 53 ? 16.107 -4.335 26.687 1.00 32.77 ? 96 TRP A CA 1 ATOM 415 C C . TRP A 1 53 ? 17.209 -3.421 26.160 1.00 31.98 ? 96 TRP A C 1 ATOM 416 O O . TRP A 1 53 ? 18.359 -3.835 26.014 1.00 35.48 ? 96 TRP A O 1 ATOM 417 C CB . TRP A 1 53 ? 15.774 -5.439 25.680 1.00 33.57 ? 96 TRP A CB 1 ATOM 418 C CG . TRP A 1 53 ? 14.679 -6.323 26.183 1.00 39.29 ? 96 TRP A CG 1 ATOM 419 C CD1 . TRP A 1 53 ? 13.371 -6.311 25.798 1.00 34.31 ? 96 TRP A CD1 1 ATOM 420 C CD2 . TRP A 1 53 ? 14.790 -7.323 27.201 1.00 36.48 ? 96 TRP A CD2 1 ATOM 421 N NE1 . TRP A 1 53 ? 12.663 -7.255 26.503 1.00 35.64 ? 96 TRP A NE1 1 ATOM 422 C CE2 . TRP A 1 53 ? 13.512 -7.889 27.371 1.00 32.42 ? 96 TRP A CE2 1 ATOM 423 C CE3 . TRP A 1 53 ? 15.848 -7.801 27.980 1.00 38.47 ? 96 TRP A CE3 1 ATOM 424 C CZ2 . TRP A 1 53 ? 13.264 -8.907 28.290 1.00 35.47 ? 96 TRP A CZ2 1 ATOM 425 C CZ3 . TRP A 1 53 ? 15.600 -8.813 28.890 1.00 44.09 ? 96 TRP A CZ3 1 ATOM 426 C CH2 . TRP A 1 53 ? 14.319 -9.357 29.035 1.00 41.12 ? 96 TRP A CH2 1 ATOM 427 N N . LYS A 1 54 ? 16.843 -2.177 25.875 1.00 37.48 ? 97 LYS A N 1 ATOM 428 C CA . LYS A 1 54 ? 17.807 -1.153 25.487 1.00 38.82 ? 97 LYS A CA 1 ATOM 429 C C . LYS A 1 54 ? 17.521 0.107 26.289 1.00 37.10 ? 97 LYS A C 1 ATOM 430 O O . LYS A 1 54 ? 16.926 1.061 25.785 1.00 36.62 ? 97 LYS A O 1 ATOM 431 C CB . LYS A 1 54 ? 17.729 -0.866 23.988 1.00 39.96 ? 97 LYS A CB 1 ATOM 432 C CG . LYS A 1 54 ? 18.157 -2.033 23.112 1.00 60.68 ? 97 LYS A CG 1 ATOM 433 C CD . LYS A 1 54 ? 18.064 -1.685 21.635 1.00 64.70 ? 97 LYS A CD 1 ATOM 434 C CE . LYS A 1 54 ? 18.437 -2.873 20.764 1.00 70.95 ? 97 LYS A CE 1 ATOM 435 N NZ . LYS A 1 54 ? 18.309 -2.562 19.314 1.00 73.93 ? 97 LYS A NZ 1 ATOM 436 N N . ASN A 1 55 ? 17.943 0.094 27.548 1.00 36.33 ? 98 ASN A N 1 ATOM 437 C CA . ASN A 1 55 ? 17.630 1.164 28.484 1.00 33.48 ? 98 ASN A CA 1 ATOM 438 C C . ASN A 1 55 ? 18.831 1.458 29.375 1.00 40.76 ? 98 ASN A C 1 ATOM 439 O O . ASN A 1 55 ? 19.198 0.649 30.226 1.00 37.66 ? 98 ASN A O 1 ATOM 440 C CB . ASN A 1 55 ? 16.414 0.773 29.325 1.00 34.87 ? 98 ASN A CB 1 ATOM 441 C CG . ASN A 1 55 ? 15.945 1.888 30.242 1.00 39.27 ? 98 ASN A CG 1 ATOM 442 O OD1 . ASN A 1 55 ? 16.437 3.016 30.178 1.00 33.89 ? 98 ASN A OD1 1 ATOM 443 N ND2 . ASN A 1 55 ? 14.980 1.575 31.098 1.00 31.23 ? 98 ASN A ND2 1 ATOM 444 N N . ASN A 1 56 ? 19.439 2.623 29.170 1.00 34.90 ? 99 ASN A N 1 ATOM 445 C CA . ASN A 1 56 ? 20.660 2.994 29.877 1.00 31.22 ? 99 ASN A CA 1 ATOM 446 C C . ASN A 1 56 ? 20.489 3.094 31.395 1.00 34.39 ? 99 ASN A C 1 ATOM 447 O O . ASN A 1 56 ? 21.468 3.047 32.141 1.00 43.62 ? 99 ASN A O 1 ATOM 448 C CB . ASN A 1 56 ? 21.230 4.298 29.307 1.00 33.31 ? 99 ASN A CB 1 ATOM 449 C CG . ASN A 1 56 ? 22.544 4.691 29.950 1.00 37.28 ? 99 ASN A CG 1 ATOM 450 O OD1 . ASN A 1 56 ? 22.615 5.662 30.704 1.00 44.00 ? 99 ASN A OD1 1 ATOM 451 N ND2 . ASN A 1 56 ? 23.592 3.927 29.669 1.00 38.64 ? 99 ASN A ND2 1 ATOM 452 N N . MET A 1 57 ? 19.244 3.228 31.846 1.00 27.94 ? 100 MET A N 1 ATOM 453 C CA . MET A 1 57 ? 18.940 3.218 33.274 1.00 30.19 ? 100 MET A CA 1 ATOM 454 C C . MET A 1 57 ? 19.422 1.919 33.910 1.00 38.11 ? 100 MET A C 1 ATOM 455 O O . MET A 1 57 ? 19.870 1.907 35.055 1.00 33.49 ? 100 MET A O 1 ATOM 456 C CB . MET A 1 57 ? 17.437 3.384 33.511 1.00 30.95 ? 100 MET A CB 1 ATOM 457 C CG . MET A 1 57 ? 16.841 4.650 32.911 1.00 39.34 ? 100 MET A CG 1 ATOM 458 S SD . MET A 1 57 ? 15.080 4.819 33.255 1.00 32.54 ? 100 MET A SD 1 ATOM 459 C CE . MET A 1 57 ? 15.117 5.322 34.976 1.00 29.38 ? 100 MET A CE 1 ATOM 460 N N . VAL A 1 58 ? 19.334 0.831 33.151 1.00 33.94 ? 101 VAL A N 1 ATOM 461 C CA . VAL A 1 58 ? 19.769 -0.478 33.624 1.00 33.03 ? 101 VAL A CA 1 ATOM 462 C C . VAL A 1 58 ? 21.279 -0.525 33.835 1.00 31.52 ? 101 VAL A C 1 ATOM 463 O O . VAL A 1 58 ? 21.752 -1.005 34.867 1.00 26.95 ? 101 VAL A O 1 ATOM 464 C CB . VAL A 1 58 ? 19.351 -1.595 32.649 1.00 34.56 ? 101 VAL A CB 1 ATOM 465 C CG1 . VAL A 1 58 ? 19.947 -2.931 33.075 1.00 26.21 ? 101 VAL A CG1 1 ATOM 466 C CG2 . VAL A 1 58 ? 17.836 -1.679 32.567 1.00 23.73 ? 101 VAL A CG2 1 ATOM 467 N N . GLU A 1 59 ? 22.030 -0.027 32.854 1.00 23.62 ? 102 GLU A N 1 ATOM 468 C CA . GLU A 1 59 ? 23.485 0.037 32.954 1.00 35.54 ? 102 GLU A CA 1 ATOM 469 C C . GLU A 1 59 ? 23.933 0.892 34.138 1.00 34.45 ? 102 GLU A C 1 ATOM 470 O O . GLU A 1 59 ? 24.883 0.545 34.842 1.00 34.27 ? 102 GLU A O 1 ATOM 471 C CB . GLU A 1 59 ? 24.097 0.577 31.657 1.00 30.31 ? 102 GLU A CB 1 ATOM 472 C CG . GLU A 1 59 ? 24.403 -0.487 30.610 1.00 43.48 ? 102 GLU A CG 1 ATOM 473 C CD . GLU A 1 59 ? 23.158 -1.139 30.039 1.00 48.14 ? 102 GLU A CD 1 ATOM 474 O OE1 . GLU A 1 59 ? 23.247 -2.307 29.605 1.00 46.27 ? 102 GLU A OE1 1 ATOM 475 O OE2 . GLU A 1 59 ? 22.092 -0.486 30.017 1.00 46.87 ? 102 GLU A OE2 1 ATOM 476 N N . GLN A 1 60 ? 23.239 2.004 34.358 1.00 29.17 ? 103 GLN A N 1 ATOM 477 C CA . GLN A 1 60 ? 23.581 2.914 35.448 1.00 34.53 ? 103 GLN A CA 1 ATOM 478 C C . GLN A 1 60 ? 23.320 2.312 36.829 1.00 31.21 ? 103 GLN A C 1 ATOM 479 O O . GLN A 1 60 ? 24.130 2.476 37.742 1.00 31.10 ? 103 GLN A O 1 ATOM 480 C CB . GLN A 1 60 ? 22.855 4.251 35.289 1.00 28.61 ? 103 GLN A CB 1 ATOM 481 C CG . GLN A 1 60 ? 23.277 5.024 34.052 1.00 40.57 ? 103 GLN A CG 1 ATOM 482 C CD . GLN A 1 60 ? 22.914 6.493 34.123 1.00 42.83 ? 103 GLN A CD 1 ATOM 483 O OE1 . GLN A 1 60 ? 22.923 7.096 35.198 1.00 35.98 ? 103 GLN A OE1 1 ATOM 484 N NE2 . GLN A 1 60 ? 22.592 7.081 32.975 1.00 30.69 ? 103 GLN A NE2 1 ATOM 485 N N . MET A 1 61 ? 22.195 1.619 36.987 1.00 25.31 ? 104 MET A N 1 ATOM 486 C CA . MET A 1 61 ? 21.923 0.933 38.245 1.00 33.57 ? 104 MET A CA 1 ATOM 487 C C . MET A 1 61 ? 22.957 -0.160 38.487 1.00 29.34 ? 104 MET A C 1 ATOM 488 O O . MET A 1 61 ? 23.428 -0.342 39.610 1.00 31.28 ? 104 MET A O 1 ATOM 489 C CB . MET A 1 61 ? 20.515 0.339 38.274 1.00 30.47 ? 104 MET A CB 1 ATOM 490 C CG . MET A 1 61 ? 20.213 -0.391 39.578 1.00 27.71 ? 104 MET A CG 1 ATOM 491 S SD . MET A 1 61 ? 18.511 -0.956 39.763 1.00 33.38 ? 104 MET A SD 1 ATOM 492 C CE . MET A 1 61 ? 18.580 -1.633 41.420 1.00 50.84 ? 104 MET A CE 1 ATOM 493 N N . GLN A 1 62 ? 23.309 -0.877 37.422 1.00 29.16 ? 105 GLN A N 1 ATOM 494 C CA . GLN A 1 62 ? 24.326 -1.921 37.491 1.00 25.83 ? 105 GLN A CA 1 ATOM 495 C C . GLN A 1 62 ? 25.634 -1.362 38.040 1.00 29.74 ? 105 GLN A C 1 ATOM 496 O O . GLN A 1 62 ? 26.275 -1.982 38.887 1.00 33.74 ? 105 GLN A O 1 ATOM 497 C CB . GLN A 1 62 ? 24.558 -2.537 36.107 1.00 30.84 ? 105 GLN A CB 1 ATOM 498 C CG . GLN A 1 62 ? 25.669 -3.580 36.049 1.00 26.70 ? 105 GLN A CG 1 ATOM 499 C CD . GLN A 1 62 ? 25.231 -4.945 36.557 1.00 37.29 ? 105 GLN A CD 1 ATOM 500 O OE1 . GLN A 1 62 ? 24.234 -5.067 37.269 1.00 38.30 ? 105 GLN A OE1 1 ATOM 501 N NE2 . GLN A 1 62 ? 25.973 -5.980 36.185 1.00 31.20 ? 105 GLN A NE2 1 ATOM 502 N N . GLU A 1 63 ? 26.015 -0.183 37.559 1.00 30.79 ? 106 GLU A N 1 ATOM 503 C CA . GLU A 1 63 ? 27.238 0.478 38.009 1.00 26.38 ? 106 GLU A CA 1 ATOM 504 C C . GLU A 1 63 ? 27.184 0.840 39.493 1.00 29.93 ? 106 GLU A C 1 ATOM 505 O O . GLU A 1 63 ? 28.190 0.740 40.195 1.00 33.68 ? 106 GLU A O 1 ATOM 506 C CB . GLU A 1 63 ? 27.517 1.719 37.159 1.00 30.06 ? 106 GLU A CB 1 ATOM 507 C CG . GLU A 1 63 ? 27.909 1.393 35.722 1.00 49.63 ? 106 GLU A CG 1 ATOM 508 C CD . GLU A 1 63 ? 27.807 2.589 34.792 1.00 66.50 ? 106 GLU A CD 1 ATOM 509 O OE1 . GLU A 1 63 ? 27.075 3.544 35.127 1.00 68.60 ? 106 GLU A OE1 1 ATOM 510 O OE2 . GLU A 1 63 ? 28.457 2.571 33.725 1.00 80.03 ? 106 GLU A OE2 1 ATOM 511 N N . ASP A 1 64 ? 26.010 1.251 39.967 1.00 25.44 ? 107 ASP A N 1 ATOM 512 C CA . ASP A 1 64 ? 25.813 1.531 41.387 1.00 33.75 ? 107 ASP A CA 1 ATOM 513 C C . ASP A 1 64 ? 26.045 0.289 42.234 1.00 30.38 ? 107 ASP A C 1 ATOM 514 O O . ASP A 1 64 ? 26.811 0.320 43.198 1.00 30.64 ? 107 ASP A O 1 ATOM 515 C CB . ASP A 1 64 ? 24.400 2.052 41.654 1.00 29.91 ? 107 ASP A CB 1 ATOM 516 C CG . ASP A 1 64 ? 24.270 3.538 41.413 1.00 28.31 ? 107 ASP A CG 1 ATOM 517 O OD1 . ASP A 1 64 ? 25.295 4.189 41.128 1.00 31.43 ? 107 ASP A OD1 1 ATOM 518 O OD2 . ASP A 1 64 ? 23.143 4.055 41.527 1.00 31.39 ? 107 ASP A OD2 1 ATOM 519 N N . VAL A 1 65 ? 25.371 -0.799 41.871 1.00 25.69 ? 108 VAL A N 1 ATOM 520 C CA . VAL A 1 65 ? 25.438 -2.034 42.642 1.00 27.98 ? 108 VAL A CA 1 ATOM 521 C C . VAL A 1 65 ? 26.853 -2.607 42.645 1.00 37.61 ? 108 VAL A C 1 ATOM 522 O O . VAL A 1 65 ? 27.313 -3.138 43.657 1.00 42.34 ? 108 VAL A O 1 ATOM 523 C CB . VAL A 1 65 ? 24.439 -3.083 42.119 1.00 34.47 ? 108 VAL A CB 1 ATOM 524 C CG1 . VAL A 1 65 ? 24.409 -4.297 43.039 1.00 31.43 ? 108 VAL A CG1 1 ATOM 525 C CG2 . VAL A 1 65 ? 23.052 -2.473 42.011 1.00 29.24 ? 108 VAL A CG2 1 ATOM 526 N N . ILE A 1 66 ? 27.543 -2.485 41.514 1.00 31.14 ? 109 ILE A N 1 ATOM 527 C CA . ILE A 1 66 ? 28.936 -2.907 41.425 1.00 29.43 ? 109 ILE A CA 1 ATOM 528 C C . ILE A 1 66 ? 29.798 -2.102 42.392 1.00 34.85 ? 109 ILE A C 1 ATOM 529 O O . ILE A 1 66 ? 30.592 -2.666 43.147 1.00 37.13 ? 109 ILE A O 1 ATOM 530 C CB . ILE A 1 66 ? 29.489 -2.759 39.992 1.00 31.12 ? 109 ILE A CB 1 ATOM 531 C CG1 . ILE A 1 66 ? 28.863 -3.806 39.068 1.00 37.18 ? 109 ILE A CG1 1 ATOM 532 C CG2 . ILE A 1 66 ? 31.005 -2.894 39.984 1.00 28.55 ? 109 ILE A CG2 1 ATOM 533 C CD1 . ILE A 1 66 ? 29.408 -3.775 37.652 1.00 30.47 ? 109 ILE A CD1 1 ATOM 534 N N . SER A 1 67 ? 29.632 -0.783 42.372 1.00 30.97 ? 110 SER A N 1 ATOM 535 C CA . SER A 1 67 ? 30.395 0.093 43.254 1.00 44.53 ? 110 SER A CA 1 ATOM 536 C C . SER A 1 67 ? 30.066 -0.204 44.712 1.00 39.36 ? 110 SER A C 1 ATOM 537 O O . SER A 1 67 ? 30.949 -0.202 45.569 1.00 35.37 ? 110 SER A O 1 ATOM 538 C CB . SER A 1 67 ? 30.107 1.563 42.940 1.00 43.60 ? 110 SER A CB 1 ATOM 539 O OG . SER A 1 67 ? 28.773 1.902 43.274 1.00 59.45 ? 110 SER A OG 1 ATOM 540 N N . LEU A 1 68 ? 28.792 -0.467 44.980 1.00 34.33 ? 111 LEU A N 1 ATOM 541 C CA . LEU A 1 68 ? 28.341 -0.819 46.321 1.00 38.55 ? 111 LEU A CA 1 ATOM 542 C C . LEU A 1 68 ? 29.026 -2.091 46.799 1.00 45.41 ? 111 LEU A C 1 ATOM 543 O O . LEU A 1 68 ? 29.526 -2.153 47.918 1.00 43.83 ? 111 LEU A O 1 ATOM 544 C CB . LEU A 1 68 ? 26.818 -0.993 46.347 1.00 23.60 ? 111 LEU A CB 1 ATOM 545 C CG . LEU A 1 68 ? 26.132 -1.160 47.708 1.00 34.07 ? 111 LEU A CG 1 ATOM 546 C CD1 . LEU A 1 68 ? 24.744 -0.546 47.672 1.00 35.54 ? 111 LEU A CD1 1 ATOM 547 C CD2 . LEU A 1 68 ? 26.043 -2.623 48.125 1.00 35.12 ? 111 LEU A CD2 1 ATOM 548 N N . TRP A 1 69 ? 29.043 -3.106 45.941 1.00 47.03 ? 112 TRP A N 1 ATOM 549 C CA . TRP A 1 69 ? 29.657 -4.384 46.280 1.00 38.55 ? 112 TRP A CA 1 ATOM 550 C C . TRP A 1 69 ? 31.179 -4.288 46.376 1.00 44.59 ? 112 TRP A C 1 ATOM 551 O O . TRP A 1 69 ? 31.799 -4.982 47.183 1.00 46.33 ? 112 TRP A O 1 ATOM 552 C CB . TRP A 1 69 ? 29.237 -5.464 45.280 1.00 34.94 ? 112 TRP A CB 1 ATOM 553 C CG . TRP A 1 69 ? 27.894 -6.054 45.588 1.00 35.51 ? 112 TRP A CG 1 ATOM 554 C CD1 . TRP A 1 69 ? 26.721 -5.379 45.757 1.00 33.25 ? 112 TRP A CD1 1 ATOM 555 C CD2 . TRP A 1 69 ? 27.586 -7.443 45.764 1.00 29.20 ? 112 TRP A CD2 1 ATOM 556 N NE1 . TRP A 1 69 ? 25.702 -6.259 46.033 1.00 30.08 ? 112 TRP A NE1 1 ATOM 557 C CE2 . TRP A 1 69 ? 26.207 -7.533 46.042 1.00 25.51 ? 112 TRP A CE2 1 ATOM 558 C CE3 . TRP A 1 69 ? 28.343 -8.618 45.715 1.00 36.49 ? 112 TRP A CE3 1 ATOM 559 C CZ2 . TRP A 1 69 ? 25.567 -8.750 46.269 1.00 33.92 ? 112 TRP A CZ2 1 ATOM 560 C CZ3 . TRP A 1 69 ? 27.708 -9.827 45.941 1.00 40.94 ? 112 TRP A CZ3 1 ATOM 561 C CH2 . TRP A 1 69 ? 26.334 -9.884 46.214 1.00 42.64 ? 112 TRP A CH2 1 ATOM 562 N N . ASP A 1 70 ? 31.775 -3.425 45.561 1.00 40.29 ? 113 ASP A N 1 ATOM 563 C CA . ASP A 1 70 ? 33.220 -3.225 45.595 1.00 47.83 ? 113 ASP A CA 1 ATOM 564 C C . ASP A 1 70 ? 33.674 -2.653 46.934 1.00 49.83 ? 113 ASP A C 1 ATOM 565 O O . ASP A 1 70 ? 34.729 -3.018 47.450 1.00 56.28 ? 113 ASP A O 1 ATOM 566 C CB . ASP A 1 70 ? 33.675 -2.308 44.456 1.00 51.87 ? 113 ASP A CB 1 ATOM 567 C CG . ASP A 1 70 ? 33.640 -2.994 43.104 1.00 70.38 ? 113 ASP A CG 1 ATOM 568 O OD1 . ASP A 1 70 ? 33.673 -4.242 43.066 1.00 69.62 ? 113 ASP A OD1 1 ATOM 569 O OD2 . ASP A 1 70 ? 33.588 -2.282 42.078 1.00 78.45 ? 113 ASP A OD2 1 ATOM 570 N N . GLN A 1 71 ? 32.867 -1.759 47.495 1.00 41.92 ? 114 GLN A N 1 ATOM 571 C CA . GLN A 1 71 ? 33.216 -1.087 48.740 1.00 49.98 ? 114 GLN A CA 1 ATOM 572 C C . GLN A 1 71 ? 32.778 -1.881 49.966 1.00 47.69 ? 114 GLN A C 1 ATOM 573 O O . GLN A 1 71 ? 33.320 -1.700 51.056 1.00 56.81 ? 114 GLN A O 1 ATOM 574 C CB . GLN A 1 71 ? 32.581 0.305 48.785 1.00 57.31 ? 114 GLN A CB 1 ATOM 575 C CG . GLN A 1 71 ? 33.009 1.225 47.656 1.00 72.35 ? 114 GLN A CG 1 ATOM 576 C CD . GLN A 1 71 ? 32.247 2.535 47.659 1.00 81.87 ? 114 GLN A CD 1 ATOM 577 O OE1 . GLN A 1 71 ? 31.271 2.697 48.390 1.00 84.61 ? 114 GLN A OE1 1 ATOM 578 N NE2 . GLN A 1 71 ? 32.692 3.481 46.840 1.00 90.77 ? 114 GLN A NE2 1 ATOM 579 N N . SER A 1 72 ? 31.801 -2.762 49.782 1.00 45.09 ? 115 SER A N 1 ATOM 580 C CA . SER A 1 72 ? 31.145 -3.417 50.910 1.00 48.32 ? 115 SER A CA 1 ATOM 581 C C . SER A 1 72 ? 31.453 -4.903 51.038 1.00 46.70 ? 115 SER A C 1 ATOM 582 O O . SER A 1 72 ? 31.459 -5.446 52.142 1.00 48.37 ? 115 SER A O 1 ATOM 583 C CB . SER A 1 72 ? 29.633 -3.231 50.809 1.00 51.16 ? 115 SER A CB 1 ATOM 584 O OG . SER A 1 72 ? 29.290 -1.858 50.740 1.00 68.13 ? 115 SER A OG 1 ATOM 585 N N . LEU A 1 73 ? 31.696 -5.563 49.911 1.00 49.66 ? 116 LEU A N 1 ATOM 586 C CA . LEU A 1 73 ? 31.854 -7.013 49.907 1.00 51.37 ? 116 LEU A CA 1 ATOM 587 C C . LEU A 1 73 ? 33.156 -7.474 49.265 1.00 53.18 ? 116 LEU A C 1 ATOM 588 O O . LEU A 1 73 ? 33.142 -8.228 48.292 1.00 59.20 ? 116 LEU A O 1 ATOM 589 C CB . LEU A 1 73 ? 30.665 -7.676 49.209 1.00 54.93 ? 116 LEU A CB 1 ATOM 590 C CG . LEU A 1 73 ? 29.419 -7.885 50.069 1.00 63.94 ? 116 LEU A CG 1 ATOM 591 C CD1 . LEU A 1 73 ? 28.236 -8.291 49.213 1.00 64.68 ? 116 LEU A CD1 1 ATOM 592 C CD2 . LEU A 1 73 ? 29.694 -8.939 51.128 1.00 74.44 ? 116 LEU A CD2 1 ATOM 593 N N . GLN A 1 74 ? 34.278 -7.026 49.814 1.00 63.00 ? 117 GLN A N 1 ATOM 594 C CA . GLN A 1 74 ? 35.578 -7.488 49.347 1.00 69.48 ? 117 GLN A CA 1 ATOM 595 C C . GLN A 1 74 ? 35.901 -8.855 49.939 1.00 61.63 ? 117 GLN A C 1 ATOM 596 O O . GLN A 1 74 ? 35.852 -9.039 51.156 1.00 59.45 ? 117 GLN A O 1 ATOM 597 C CB . GLN A 1 74 ? 36.675 -6.480 49.691 1.00 81.60 ? 117 GLN A CB 1 ATOM 598 C CG . GLN A 1 74 ? 36.630 -5.215 48.852 1.00 87.44 ? 117 GLN A CG 1 ATOM 599 C CD . GLN A 1 74 ? 36.713 -5.504 47.364 1.00 87.25 ? 117 GLN A CD 1 ATOM 600 O OE1 . GLN A 1 74 ? 37.772 -5.863 46.846 1.00 81.97 ? 117 GLN A OE1 1 ATOM 601 N NE2 . GLN A 1 74 ? 35.592 -5.354 46.669 1.00 88.98 ? 117 GLN A NE2 1 ATOM 602 N N . PRO A 1 75 ? 36.223 -9.825 49.071 1.00 57.16 ? 118 PRO A N 1 ATOM 603 C CA . PRO A 1 75 ? 36.564 -11.189 49.487 1.00 58.60 ? 118 PRO A CA 1 ATOM 604 C C . PRO A 1 75 ? 37.969 -11.268 50.074 1.00 61.37 ? 118 PRO A C 1 ATOM 605 O O . PRO A 1 75 ? 38.751 -10.330 49.927 1.00 67.37 ? 118 PRO A O 1 ATOM 606 C CB . PRO A 1 75 ? 36.505 -11.968 48.172 1.00 55.29 ? 118 PRO A CB 1 ATOM 607 C CG . PRO A 1 75 ? 36.858 -10.960 47.136 1.00 52.79 ? 118 PRO A CG 1 ATOM 608 C CD . PRO A 1 75 ? 36.247 -9.671 47.605 1.00 46.07 ? 118 PRO A CD 1 ATOM 609 N N . CYS A 1 76 ? 38.278 -12.378 50.738 1.00 54.62 ? 119 CYS A N 1 ATOM 610 C CA . CYS A 1 76 ? 39.613 -12.599 51.277 1.00 59.37 ? 119 CYS A CA 1 ATOM 611 C C . CYS A 1 76 ? 40.588 -12.794 50.125 1.00 64.91 ? 119 CYS A C 1 ATOM 612 O O . CYS A 1 76 ? 41.693 -12.257 50.129 1.00 73.68 ? 119 CYS A O 1 ATOM 613 C CB . CYS A 1 76 ? 39.633 -13.838 52.173 1.00 64.75 ? 119 CYS A CB 1 ATOM 614 S SG . CYS A 1 76 ? 38.126 -14.107 53.133 1.00 87.89 ? 119 CYS A SG 1 ATOM 615 N N . VAL A 1 77 ? 40.158 -13.572 49.136 1.00 61.90 ? 120 VAL A N 1 ATOM 616 C CA . VAL A 1 77 ? 40.976 -13.882 47.972 1.00 65.80 ? 120 VAL A CA 1 ATOM 617 C C . VAL A 1 77 ? 40.200 -13.593 46.690 1.00 68.81 ? 120 VAL A C 1 ATOM 618 O O . VAL A 1 77 ? 39.043 -13.994 46.555 1.00 65.64 ? 120 VAL A O 1 ATOM 619 C CB . VAL A 1 77 ? 41.409 -15.363 47.973 1.00 68.75 ? 120 VAL A CB 1 ATOM 620 C CG1 . VAL A 1 77 ? 42.163 -15.704 46.697 1.00 80.85 ? 120 VAL A CG1 1 ATOM 621 C CG2 . VAL A 1 77 ? 42.257 -15.670 49.200 1.00 69.45 ? 120 VAL A CG2 1 ATOM 622 N N . LYS A 1 78 ? 40.835 -12.893 45.755 1.00 67.56 ? 121 LYS A N 1 ATOM 623 C CA . LYS A 1 78 ? 40.206 -12.592 44.475 1.00 64.83 ? 121 LYS A CA 1 ATOM 624 C C . LYS A 1 78 ? 41.075 -13.082 43.320 1.00 70.60 ? 121 LYS A C 1 ATOM 625 O O . LYS A 1 78 ? 42.297 -12.947 43.352 1.00 73.10 ? 121 LYS A O 1 ATOM 626 C CB . LYS A 1 78 ? 39.946 -11.090 44.344 1.00 64.77 ? 121 LYS A CB 1 ATOM 627 C CG . LYS A 1 78 ? 39.037 -10.717 43.185 1.00 66.07 ? 121 LYS A CG 1 ATOM 628 C CD . LYS A 1 78 ? 38.925 -9.209 43.034 1.00 69.35 ? 121 LYS A CD 1 ATOM 629 C CE . LYS A 1 78 ? 38.449 -8.557 44.321 1.00 72.19 ? 121 LYS A CE 1 ATOM 630 N NZ . LYS A 1 78 ? 38.373 -7.075 44.194 1.00 76.16 ? 121 LYS A NZ 1 ATOM 631 N N . LEU A 1 79 ? 40.437 -13.654 42.304 1.00 71.01 ? 122 LEU A N 1 ATOM 632 C CA . LEU A 1 79 ? 41.153 -14.200 41.158 1.00 71.44 ? 122 LEU A CA 1 ATOM 633 C C . LEU A 1 79 ? 40.687 -13.534 39.868 1.00 80.78 ? 122 LEU A C 1 ATOM 634 O O . LEU A 1 79 ? 39.683 -13.938 39.283 1.00 81.05 ? 122 LEU A O 1 ATOM 635 C CB . LEU A 1 79 ? 40.936 -15.712 41.070 1.00 66.98 ? 122 LEU A CB 1 ATOM 636 C CG . LEU A 1 79 ? 41.086 -16.507 42.370 1.00 72.56 ? 122 LEU A CG 1 ATOM 637 C CD1 . LEU A 1 79 ? 40.629 -17.941 42.168 1.00 77.89 ? 122 LEU A CD1 1 ATOM 638 C CD2 . LEU A 1 79 ? 42.519 -16.464 42.878 1.00 75.70 ? 122 LEU A CD2 1 ATOM 639 N N . THR A 1 80 ? 41.418 -12.514 39.429 1.00 90.27 ? 123 THR A N 1 ATOM 640 C CA . THR A 1 80 ? 41.033 -11.753 38.244 1.00 95.20 ? 123 THR A CA 1 ATOM 641 C C . THR A 1 80 ? 42.176 -11.590 37.246 1.00 103.51 ? 123 THR A C 1 ATOM 642 O O . THR A 1 80 ? 43.210 -11.009 37.566 1.00 106.91 ? 123 THR A O 1 ATOM 643 C CB . THR A 1 80 ? 40.518 -10.349 38.619 1.00 93.11 ? 123 THR A CB 1 ATOM 644 O OG1 . THR A 1 80 ? 41.544 -9.634 39.320 1.00 102.94 ? 123 THR A OG1 1 ATOM 645 C CG2 . THR A 1 80 ? 39.286 -10.445 39.497 1.00 86.59 ? 123 THR A CG2 1 ATOM 646 N N . GLY A 1 81 ? 41.972 -12.102 36.035 1.00 106.49 ? 124 GLY A N 1 ATOM 647 C CA . GLY A 1 81 ? 42.909 -11.918 34.940 1.00 108.70 ? 124 GLY A CA 1 ATOM 648 C C . GLY A 1 81 ? 44.305 -12.447 35.208 1.00 108.10 ? 124 GLY A C 1 ATOM 649 O O . GLY A 1 81 ? 45.288 -11.902 34.701 1.00 112.55 ? 124 GLY A O 1 ATOM 650 N N . GLY A 1 82 ? 44.397 -13.508 36.003 1.00 104.47 ? 198 GLY A N 1 ATOM 651 C CA . GLY A 1 82 ? 45.679 -14.105 36.328 1.00 101.24 ? 198 GLY A CA 1 ATOM 652 C C . GLY A 1 82 ? 46.280 -13.530 37.595 1.00 94.84 ? 198 GLY A C 1 ATOM 653 O O . GLY A 1 82 ? 47.218 -14.091 38.161 1.00 98.55 ? 198 GLY A O 1 ATOM 654 N N . SER A 1 83 ? 45.734 -12.402 38.040 1.00 94.70 ? 199 SER A N 1 ATOM 655 C CA . SER A 1 83 ? 46.204 -11.752 39.256 1.00 97.68 ? 199 SER A CA 1 ATOM 656 C C . SER A 1 83 ? 45.531 -12.349 40.487 1.00 97.51 ? 199 SER A C 1 ATOM 657 O O . SER A 1 83 ? 44.418 -12.869 40.407 1.00 95.66 ? 199 SER A O 1 ATOM 658 C CB . SER A 1 83 ? 45.941 -10.245 39.193 1.00 97.91 ? 199 SER A CB 1 ATOM 659 O OG . SER A 1 83 ? 46.345 -9.603 40.390 1.00 103.65 ? 199 SER A OG 1 ATOM 660 N N . VAL A 1 84 ? 46.215 -12.275 41.624 1.00 100.90 ? 200 VAL A N 1 ATOM 661 C CA . VAL A 1 84 ? 45.674 -12.782 42.879 1.00 95.82 ? 200 VAL A CA 1 ATOM 662 C C . VAL A 1 84 ? 45.736 -11.713 43.964 1.00 88.51 ? 200 VAL A C 1 ATOM 663 O O . VAL A 1 84 ? 46.818 -11.311 44.393 1.00 94.03 ? 200 VAL A O 1 ATOM 664 C CB . VAL A 1 84 ? 46.436 -14.032 43.363 1.00 103.08 ? 200 VAL A CB 1 ATOM 665 C CG1 . VAL A 1 84 ? 45.911 -14.481 44.720 1.00 108.15 ? 200 VAL A CG1 1 ATOM 666 C CG2 . VAL A 1 84 ? 46.321 -15.156 42.343 1.00 98.84 ? 200 VAL A CG2 1 ATOM 667 N N . ILE A 1 85 ? 44.569 -11.253 44.403 1.00 85.28 ? 201 ILE A N 1 ATOM 668 C CA . ILE A 1 85 ? 44.489 -10.219 45.428 1.00 86.74 ? 201 ILE A CA 1 ATOM 669 C C . ILE A 1 85 ? 44.053 -10.800 46.770 1.00 76.93 ? 201 ILE A C 1 ATOM 670 O O . ILE A 1 85 ? 43.039 -11.492 46.857 1.00 71.55 ? 201 ILE A O 1 ATOM 671 C CB . ILE A 1 85 ? 43.513 -9.097 45.019 1.00 82.42 ? 201 ILE A CB 1 ATOM 672 C CG1 . ILE A 1 85 ? 43.897 -8.532 43.649 1.00 89.74 ? 201 ILE A CG1 1 ATOM 673 C CG2 . ILE A 1 85 ? 43.492 -7.997 46.068 1.00 79.17 ? 201 ILE A CG2 1 ATOM 674 C CD1 . ILE A 1 85 ? 42.982 -7.427 43.167 1.00 92.40 ? 201 ILE A CD1 1 ATOM 675 N N . LYS A 1 86 ? 44.829 -10.519 47.811 1.00 75.66 ? 202 LYS A N 1 ATOM 676 C CA . LYS A 1 86 ? 44.514 -10.997 49.151 1.00 76.38 ? 202 LYS A CA 1 ATOM 677 C C . LYS A 1 86 ? 44.287 -9.838 50.114 1.00 86.24 ? 202 LYS A C 1 ATOM 678 O O . LYS A 1 86 ? 45.218 -9.108 50.454 1.00 99.93 ? 202 LYS A O 1 ATOM 679 C CB . LYS A 1 86 ? 45.625 -11.909 49.676 1.00 73.65 ? 202 LYS A CB 1 ATOM 680 C CG . LYS A 1 86 ? 45.797 -13.197 48.889 1.00 72.23 ? 202 LYS A CG 1 ATOM 681 C CD . LYS A 1 86 ? 46.862 -14.083 49.513 1.00 75.99 ? 202 LYS A CD 1 ATOM 682 C CE . LYS A 1 86 ? 47.036 -15.375 48.733 1.00 80.87 ? 202 LYS A CE 1 ATOM 683 N NZ . LYS A 1 86 ? 48.084 -16.248 49.331 1.00 86.17 ? 202 LYS A NZ 1 ATOM 684 N N . GLN A 1 87 ? 43.043 -9.675 50.551 1.00 85.54 ? 203 GLN A N 1 ATOM 685 C CA . GLN A 1 87 ? 42.685 -8.599 51.467 1.00 90.60 ? 203 GLN A CA 1 ATOM 686 C C . GLN A 1 87 ? 41.973 -9.142 52.698 1.00 85.83 ? 203 GLN A C 1 ATOM 687 O O . GLN A 1 87 ? 41.695 -10.338 52.790 1.00 89.32 ? 203 GLN A O 1 ATOM 688 C CB . GLN A 1 87 ? 41.788 -7.578 50.766 1.00 96.27 ? 203 GLN A CB 1 ATOM 689 C CG . GLN A 1 87 ? 42.441 -6.868 49.594 1.00 100.40 ? 203 GLN A CG 1 ATOM 690 C CD . GLN A 1 87 ? 41.491 -5.920 48.891 1.00 93.86 ? 203 GLN A CD 1 ATOM 691 O OE1 . GLN A 1 87 ? 40.273 -6.021 49.039 1.00 80.69 ? 203 GLN A OE1 1 ATOM 692 N NE2 . GLN A 1 87 ? 42.045 -4.986 48.125 1.00 99.11 ? 203 GLN A NE2 1 ATOM 693 N N . ALA A 1 88 ? 41.680 -8.256 53.643 1.00 77.55 ? 204 ALA A N 1 ATOM 694 C CA . ALA A 1 88 ? 40.905 -8.627 54.818 1.00 70.65 ? 204 ALA A CA 1 ATOM 695 C C . ALA A 1 88 ? 39.441 -8.790 54.428 1.00 70.55 ? 204 ALA A C 1 ATOM 696 O O . ALA A 1 88 ? 38.938 -8.073 53.563 1.00 70.83 ? 204 ALA A O 1 ATOM 697 C CB . ALA A 1 88 ? 41.056 -7.582 55.909 1.00 62.66 ? 204 ALA A CB 1 ATOM 698 N N . CYS A 1 89 ? 38.763 -9.736 55.065 1.00 72.58 ? 205 CYS A N 1 ATOM 699 C CA . CYS A 1 89 ? 37.372 -10.026 54.739 1.00 65.26 ? 205 CYS A CA 1 ATOM 700 C C . CYS A 1 89 ? 36.513 -10.160 55.993 1.00 66.76 ? 205 CYS A C 1 ATOM 701 O O . CYS A 1 89 ? 36.103 -11.264 56.353 1.00 71.35 ? 205 CYS A O 1 ATOM 702 C CB . CYS A 1 89 ? 37.288 -11.303 53.903 1.00 61.41 ? 205 CYS A CB 1 ATOM 703 S SG . CYS A 1 89 ? 38.377 -12.622 54.492 1.00 66.40 ? 205 CYS A SG 1 ATOM 704 N N . PRO A 1 90 ? 36.234 -9.032 56.661 1.00 61.06 ? 206 PRO A N 1 ATOM 705 C CA . PRO A 1 90 ? 35.430 -9.062 57.885 1.00 61.54 ? 206 PRO A CA 1 ATOM 706 C C . PRO A 1 90 ? 33.957 -9.297 57.576 1.00 59.66 ? 206 PRO A C 1 ATOM 707 O O . PRO A 1 90 ? 33.505 -9.005 56.468 1.00 56.33 ? 206 PRO A O 1 ATOM 708 C CB . PRO A 1 90 ? 35.627 -7.658 58.457 1.00 57.23 ? 206 PRO A CB 1 ATOM 709 C CG . PRO A 1 90 ? 35.845 -6.806 57.258 1.00 51.18 ? 206 PRO A CG 1 ATOM 710 C CD . PRO A 1 90 ? 36.620 -7.658 56.288 1.00 52.33 ? 206 PRO A CD 1 ATOM 711 N N . LYS A 1 91 ? 33.221 -9.824 58.546 1.00 55.62 ? 207 LYS A N 1 ATOM 712 C CA . LYS A 1 91 ? 31.787 -10.024 58.389 1.00 50.23 ? 207 LYS A CA 1 ATOM 713 C C . LYS A 1 91 ? 31.045 -8.695 58.469 1.00 49.57 ? 207 LYS A C 1 ATOM 714 O O . LYS A 1 91 ? 31.381 -7.837 59.283 1.00 51.64 ? 207 LYS A O 1 ATOM 715 C CB . LYS A 1 91 ? 31.267 -11.002 59.441 1.00 52.31 ? 207 LYS A CB 1 ATOM 716 C CG . LYS A 1 91 ? 31.673 -12.436 59.167 1.00 55.42 ? 207 LYS A CG 1 ATOM 717 C CD . LYS A 1 91 ? 31.146 -12.876 57.812 1.00 52.84 ? 207 LYS A CD 1 ATOM 718 C CE . LYS A 1 91 ? 31.660 -14.248 57.431 1.00 58.22 ? 207 LYS A CE 1 ATOM 719 N NZ . LYS A 1 91 ? 31.109 -14.698 56.122 1.00 51.42 ? 207 LYS A NZ 1 ATOM 720 N N . ILE A 1 92 ? 30.040 -8.528 57.616 1.00 38.54 ? 208 ILE A N 1 ATOM 721 C CA . ILE A 1 92 ? 29.328 -7.259 57.521 1.00 43.35 ? 208 ILE A CA 1 ATOM 722 C C . ILE A 1 92 ? 27.838 -7.408 57.798 1.00 43.68 ? 208 ILE A C 1 ATOM 723 O O . ILE A 1 92 ? 27.314 -8.519 57.873 1.00 44.67 ? 208 ILE A O 1 ATOM 724 C CB . ILE A 1 92 ? 29.483 -6.634 56.123 1.00 45.46 ? 208 ILE A CB 1 ATOM 725 C CG1 . ILE A 1 92 ? 28.721 -7.464 55.088 1.00 43.32 ? 208 ILE A CG1 1 ATOM 726 C CG2 . ILE A 1 92 ? 30.955 -6.510 55.749 1.00 41.28 ? 208 ILE A CG2 1 ATOM 727 C CD1 . ILE A 1 92 ? 28.523 -6.762 53.770 1.00 42.44 ? 208 ILE A CD1 1 ATOM 728 N N . SER A 1 93 ? 27.165 -6.272 57.952 1.00 45.52 ? 209 SER A N 1 ATOM 729 C CA . SER A 1 93 ? 25.713 -6.234 58.054 1.00 42.64 ? 209 SER A CA 1 ATOM 730 C C . SER A 1 93 ? 25.138 -5.996 56.663 1.00 40.02 ? 209 SER A C 1 ATOM 731 O O . SER A 1 93 ? 25.464 -5.002 56.011 1.00 36.21 ? 209 SER A O 1 ATOM 732 C CB . SER A 1 93 ? 25.270 -5.128 59.012 1.00 41.07 ? 209 SER A CB 1 ATOM 733 O OG . SER A 1 93 ? 23.858 -5.039 59.071 1.00 47.30 ? 209 SER A OG 1 ATOM 734 N N . PHE A 1 94 ? 24.284 -6.909 56.211 1.00 37.13 ? 210 PHE A N 1 ATOM 735 C CA . PHE A 1 94 ? 23.839 -6.922 54.821 1.00 39.51 ? 210 PHE A CA 1 ATOM 736 C C . PHE A 1 94 ? 22.330 -7.117 54.702 1.00 38.49 ? 210 PHE A C 1 ATOM 737 O O . PHE A 1 94 ? 21.797 -8.160 55.089 1.00 36.20 ? 210 PHE A O 1 ATOM 738 C CB . PHE A 1 94 ? 24.575 -8.030 54.062 1.00 38.62 ? 210 PHE A CB 1 ATOM 739 C CG . PHE A 1 94 ? 24.351 -8.011 52.575 1.00 30.90 ? 210 PHE A CG 1 ATOM 740 C CD1 . PHE A 1 94 ? 23.275 -8.680 52.011 1.00 30.55 ? 210 PHE A CD1 1 ATOM 741 C CD2 . PHE A 1 94 ? 25.233 -7.346 51.738 1.00 34.51 ? 210 PHE A CD2 1 ATOM 742 C CE1 . PHE A 1 94 ? 23.073 -8.672 50.643 1.00 26.17 ? 210 PHE A CE1 1 ATOM 743 C CE2 . PHE A 1 94 ? 25.037 -7.336 50.368 1.00 31.73 ? 210 PHE A CE2 1 ATOM 744 C CZ . PHE A 1 94 ? 23.956 -8.001 49.821 1.00 32.16 ? 210 PHE A CZ 1 ATOM 745 N N . ASP A 1 95 ? 21.654 -6.112 54.153 1.00 29.41 ? 211 ASP A N 1 ATOM 746 C CA . ASP A 1 95 ? 20.212 -6.162 53.930 1.00 35.13 ? 211 ASP A CA 1 ATOM 747 C C . ASP A 1 95 ? 19.797 -5.024 52.998 1.00 37.45 ? 211 ASP A C 1 ATOM 748 O O . ASP A 1 95 ? 19.748 -3.867 53.415 1.00 36.49 ? 211 ASP A O 1 ATOM 749 C CB . ASP A 1 95 ? 19.458 -6.065 55.259 1.00 35.26 ? 211 ASP A CB 1 ATOM 750 C CG . ASP A 1 95 ? 17.981 -6.391 55.120 1.00 50.46 ? 211 ASP A CG 1 ATOM 751 O OD1 . ASP A 1 95 ? 17.615 -7.118 54.172 1.00 47.90 ? 211 ASP A OD1 1 ATOM 752 O OD2 . ASP A 1 95 ? 17.187 -5.925 55.964 1.00 65.75 ? 211 ASP A OD2 1 ATOM 753 N N . PRO A 1 96 ? 19.506 -5.351 51.728 1.00 33.13 ? 212 PRO A N 1 ATOM 754 C CA . PRO A 1 96 ? 19.211 -4.367 50.676 1.00 32.64 ? 212 PRO A CA 1 ATOM 755 C C . PRO A 1 96 ? 18.070 -3.408 51.017 1.00 41.35 ? 212 PRO A C 1 ATOM 756 O O . PRO A 1 96 ? 17.052 -3.825 51.570 1.00 31.10 ? 212 PRO A O 1 ATOM 757 C CB . PRO A 1 96 ? 18.820 -5.244 49.482 1.00 37.21 ? 212 PRO A CB 1 ATOM 758 C CG . PRO A 1 96 ? 19.545 -6.526 49.714 1.00 31.52 ? 212 PRO A CG 1 ATOM 759 C CD . PRO A 1 96 ? 19.511 -6.728 51.204 1.00 35.17 ? 212 PRO A CD 1 ATOM 760 N N . ILE A 1 97 ? 18.253 -2.132 50.687 1.00 32.23 ? 213 ILE A N 1 ATOM 761 C CA . ILE A 1 97 ? 17.216 -1.122 50.885 1.00 33.95 ? 213 ILE A CA 1 ATOM 762 C C . ILE A 1 97 ? 16.762 -0.564 49.535 1.00 34.28 ? 213 ILE A C 1 ATOM 763 O O . ILE A 1 97 ? 17.492 -0.661 48.549 1.00 31.69 ? 213 ILE A O 1 ATOM 764 C CB . ILE A 1 97 ? 17.707 0.032 51.793 1.00 34.82 ? 213 ILE A CB 1 ATOM 765 C CG1 . ILE A 1 97 ? 18.803 0.846 51.099 1.00 33.51 ? 213 ILE A CG1 1 ATOM 766 C CG2 . ILE A 1 97 ? 18.185 -0.506 53.139 1.00 30.03 ? 213 ILE A CG2 1 ATOM 767 C CD1 . ILE A 1 97 ? 19.192 2.104 51.856 1.00 28.98 ? 213 ILE A CD1 1 ATOM 768 N N . PRO A 1 98 ? 15.544 0.006 49.479 1.00 34.67 ? 214 PRO A N 1 ATOM 769 C CA . PRO A 1 98 ? 15.050 0.570 48.216 1.00 32.68 ? 214 PRO A CA 1 ATOM 770 C C . PRO A 1 98 ? 15.883 1.755 47.724 1.00 36.84 ? 214 PRO A C 1 ATOM 771 O O . PRO A 1 98 ? 16.219 2.647 48.505 1.00 36.40 ? 214 PRO A O 1 ATOM 772 C CB . PRO A 1 98 ? 13.634 1.038 48.573 1.00 30.91 ? 214 PRO A CB 1 ATOM 773 C CG . PRO A 1 98 ? 13.239 0.196 49.746 1.00 28.65 ? 214 PRO A CG 1 ATOM 774 C CD . PRO A 1 98 ? 14.503 -0.006 50.524 1.00 29.78 ? 214 PRO A CD 1 ATOM 775 N N . ILE A 1 99 ? 16.209 1.753 46.435 1.00 28.84 ? 215 ILE A N 1 ATOM 776 C CA . ILE A 1 99 ? 16.945 2.852 45.818 1.00 31.18 ? 215 ILE A CA 1 ATOM 777 C C . ILE A 1 99 ? 16.128 3.476 44.688 1.00 34.33 ? 215 ILE A C 1 ATOM 778 O O . ILE A 1 99 ? 15.690 2.780 43.773 1.00 39.39 ? 215 ILE A O 1 ATOM 779 C CB . ILE A 1 99 ? 18.300 2.378 45.254 1.00 35.29 ? 215 ILE A CB 1 ATOM 780 C CG1 . ILE A 1 99 ? 19.174 1.801 46.370 1.00 34.77 ? 215 ILE A CG1 1 ATOM 781 C CG2 . ILE A 1 99 ? 19.021 3.523 44.556 1.00 28.25 ? 215 ILE A CG2 1 ATOM 782 C CD1 . ILE A 1 99 ? 19.533 2.804 47.445 1.00 41.65 ? 215 ILE A CD1 1 ATOM 783 N N . HIS A 1 100 ? 15.923 4.787 44.761 1.00 37.38 ? 216 HIS A N 1 ATOM 784 C CA . HIS A 1 100 ? 15.177 5.510 43.734 1.00 32.91 ? 216 HIS A CA 1 ATOM 785 C C . HIS A 1 100 ? 16.128 6.136 42.717 1.00 37.11 ? 216 HIS A C 1 ATOM 786 O O . HIS A 1 100 ? 17.127 6.742 43.092 1.00 34.88 ? 216 HIS A O 1 ATOM 787 C CB . HIS A 1 100 ? 14.327 6.611 44.371 1.00 36.91 ? 216 HIS A CB 1 ATOM 788 C CG . HIS A 1 100 ? 13.374 6.116 45.413 1.00 38.50 ? 216 HIS A CG 1 ATOM 789 N ND1 . HIS A 1 100 ? 12.013 6.049 45.205 1.00 44.12 ? 216 HIS A ND1 1 ATOM 790 C CD2 . HIS A 1 100 ? 13.583 5.672 46.675 1.00 38.38 ? 216 HIS A CD2 1 ATOM 791 C CE1 . HIS A 1 100 ? 11.425 5.583 46.293 1.00 35.16 ? 216 HIS A CE1 1 ATOM 792 N NE2 . HIS A 1 100 ? 12.355 5.345 47.200 1.00 35.57 ? 216 HIS A NE2 1 ATOM 793 N N . TYR A 1 101 ? 15.815 5.998 41.433 1.00 27.78 ? 217 TYR A N 1 ATOM 794 C CA . TYR A 1 101 ? 16.628 6.622 40.392 1.00 20.78 ? 217 TYR A CA 1 ATOM 795 C C . TYR A 1 101 ? 15.937 7.839 39.792 1.00 27.31 ? 217 TYR A C 1 ATOM 796 O O . TYR A 1 101 ? 14.763 7.782 39.425 1.00 32.79 ? 217 TYR A O 1 ATOM 797 C CB . TYR A 1 101 ? 17.028 5.603 39.320 1.00 25.58 ? 217 TYR A CB 1 ATOM 798 C CG . TYR A 1 101 ? 18.129 4.695 39.809 1.00 27.38 ? 217 TYR A CG 1 ATOM 799 C CD1 . TYR A 1 101 ? 17.837 3.535 40.513 1.00 33.15 ? 217 TYR A CD1 1 ATOM 800 C CD2 . TYR A 1 101 ? 19.461 5.025 39.610 1.00 28.93 ? 217 TYR A CD2 1 ATOM 801 C CE1 . TYR A 1 101 ? 18.844 2.715 40.983 1.00 29.01 ? 217 TYR A CE1 1 ATOM 802 C CE2 . TYR A 1 101 ? 20.472 4.212 40.072 1.00 31.65 ? 217 TYR A CE2 1 ATOM 803 C CZ . TYR A 1 101 ? 20.159 3.060 40.763 1.00 31.61 ? 217 TYR A CZ 1 ATOM 804 O OH . TYR A 1 101 ? 21.166 2.247 41.227 1.00 41.03 ? 217 TYR A OH 1 ATOM 805 N N . CYS A 1 102 ? 16.675 8.944 39.707 1.00 27.65 ? 218 CYS A N 1 ATOM 806 C CA . CYS A 1 102 ? 16.082 10.233 39.375 1.00 31.30 ? 218 CYS A CA 1 ATOM 807 C C . CYS A 1 102 ? 16.824 10.971 38.261 1.00 39.22 ? 218 CYS A C 1 ATOM 808 O O . CYS A 1 102 ? 18.017 10.757 38.047 1.00 43.64 ? 218 CYS A O 1 ATOM 809 C CB . CYS A 1 102 ? 16.023 11.116 40.626 1.00 38.11 ? 218 CYS A CB 1 ATOM 810 S SG . CYS A 1 102 ? 15.395 10.285 42.112 1.00 42.97 ? 218 CYS A SG 1 ATOM 811 N N . THR A 1 103 ? 16.105 11.844 37.562 1.00 34.87 ? 219 THR A N 1 ATOM 812 C CA . THR A 1 103 ? 16.684 12.663 36.502 1.00 35.36 ? 219 THR A CA 1 ATOM 813 C C . THR A 1 103 ? 16.990 14.074 36.995 1.00 36.60 ? 219 THR A C 1 ATOM 814 O O . THR A 1 103 ? 16.265 14.615 37.829 1.00 39.79 ? 219 THR A O 1 ATOM 815 C CB . THR A 1 103 ? 15.743 12.765 35.279 1.00 40.69 ? 219 THR A CB 1 ATOM 816 O OG1 . THR A 1 103 ? 14.387 12.893 35.724 1.00 39.56 ? 219 THR A OG1 1 ATOM 817 C CG2 . THR A 1 103 ? 15.865 11.532 34.398 1.00 29.30 ? 219 THR A CG2 1 ATOM 818 N N . PRO A 1 104 ? 18.072 14.676 36.478 1.00 38.29 ? 220 PRO A N 1 ATOM 819 C CA . PRO A 1 104 ? 18.415 16.064 36.799 1.00 40.12 ? 220 PRO A CA 1 ATOM 820 C C . PRO A 1 104 ? 17.568 17.047 35.996 1.00 46.50 ? 220 PRO A C 1 ATOM 821 O O . PRO A 1 104 ? 16.735 16.624 35.194 1.00 38.59 ? 220 PRO A O 1 ATOM 822 C CB . PRO A 1 104 ? 19.877 16.163 36.366 1.00 41.35 ? 220 PRO A CB 1 ATOM 823 C CG . PRO A 1 104 ? 19.988 15.188 35.246 1.00 36.50 ? 220 PRO A CG 1 ATOM 824 C CD . PRO A 1 104 ? 19.091 14.040 35.624 1.00 34.48 ? 220 PRO A CD 1 ATOM 825 N N . ALA A 1 105 ? 17.786 18.341 36.214 1.00 46.76 ? 221 ALA A N 1 ATOM 826 C CA . ALA A 1 105 ? 17.031 19.382 35.522 1.00 50.19 ? 221 ALA A CA 1 ATOM 827 C C . ALA A 1 105 ? 17.187 19.279 34.008 1.00 53.77 ? 221 ALA A C 1 ATOM 828 O O . ALA A 1 105 ? 18.264 18.955 33.506 1.00 54.78 ? 221 ALA A O 1 ATOM 829 C CB . ALA A 1 105 ? 17.459 20.760 36.009 1.00 49.98 ? 221 ALA A CB 1 ATOM 830 N N . GLY A 1 106 ? 16.105 19.552 33.286 1.00 58.81 ? 222 GLY A N 1 ATOM 831 C CA . GLY A 1 106 ? 16.109 19.461 31.838 1.00 47.94 ? 222 GLY A CA 1 ATOM 832 C C . GLY A 1 106 ? 15.698 18.085 31.352 1.00 47.89 ? 222 GLY A C 1 ATOM 833 O O . GLY A 1 106 ? 15.501 17.868 30.156 1.00 50.14 ? 222 GLY A O 1 ATOM 834 N N . TYR A 1 107 ? 15.570 17.150 32.289 1.00 43.48 ? 223 TYR A N 1 ATOM 835 C CA . TYR A 1 107 ? 15.174 15.785 31.973 1.00 38.37 ? 223 TYR A CA 1 ATOM 836 C C . TYR A 1 107 ? 14.074 15.317 32.917 1.00 46.42 ? 223 TYR A C 1 ATOM 837 O O . TYR A 1 107 ? 13.998 15.761 34.063 1.00 50.99 ? 223 TYR A O 1 ATOM 838 C CB . TYR A 1 107 ? 16.370 14.836 32.091 1.00 36.89 ? 223 TYR A CB 1 ATOM 839 C CG . TYR A 1 107 ? 17.524 15.141 31.161 1.00 42.90 ? 223 TYR A CG 1 ATOM 840 C CD1 . TYR A 1 107 ? 18.457 16.122 31.477 1.00 42.95 ? 223 TYR A CD1 1 ATOM 841 C CD2 . TYR A 1 107 ? 17.693 14.431 29.978 1.00 36.89 ? 223 TYR A CD2 1 ATOM 842 C CE1 . TYR A 1 107 ? 19.517 16.400 30.632 1.00 46.76 ? 223 TYR A CE1 1 ATOM 843 C CE2 . TYR A 1 107 ? 18.751 14.701 29.128 1.00 52.92 ? 223 TYR A CE2 1 ATOM 844 C CZ . TYR A 1 107 ? 19.659 15.685 29.460 1.00 52.91 ? 223 TYR A CZ 1 ATOM 845 O OH . TYR A 1 107 ? 20.711 15.956 28.618 1.00 64.41 ? 223 TYR A OH 1 ATOM 846 N N . VAL A 1 108 ? 13.218 14.423 32.429 1.00 43.42 ? 224 VAL A N 1 ATOM 847 C CA . VAL A 1 108 ? 12.230 13.757 33.273 1.00 40.51 ? 224 VAL A CA 1 ATOM 848 C C . VAL A 1 108 ? 12.174 12.275 32.919 1.00 45.34 ? 224 VAL A C 1 ATOM 849 O O . VAL A 1 108 ? 12.663 11.860 31.869 1.00 43.41 ? 224 VAL A O 1 ATOM 850 C CB . VAL A 1 108 ? 10.812 14.351 33.109 1.00 47.54 ? 224 VAL A CB 1 ATOM 851 C CG1 . VAL A 1 108 ? 10.778 15.815 33.530 1.00 42.51 ? 224 VAL A CG1 1 ATOM 852 C CG2 . VAL A 1 108 ? 10.326 14.184 31.680 1.00 46.89 ? 224 VAL A CG2 1 ATOM 853 N N . ILE A 1 109 ? 11.578 11.481 33.800 1.00 41.21 ? 225 ILE A N 1 ATOM 854 C CA . ILE A 1 109 ? 11.385 10.063 33.538 1.00 36.80 ? 225 ILE A CA 1 ATOM 855 C C . ILE A 1 109 ? 9.952 9.809 33.096 1.00 46.81 ? 225 ILE A C 1 ATOM 856 O O . ILE A 1 109 ? 9.006 10.194 33.783 1.00 46.51 ? 225 ILE A O 1 ATOM 857 C CB . ILE A 1 109 ? 11.663 9.211 34.788 1.00 31.77 ? 225 ILE A CB 1 ATOM 858 C CG1 . ILE A 1 109 ? 13.118 9.365 35.234 1.00 36.77 ? 225 ILE A CG1 1 ATOM 859 C CG2 . ILE A 1 109 ? 11.338 7.747 34.521 1.00 29.45 ? 225 ILE A CG2 1 ATOM 860 C CD1 . ILE A 1 109 ? 13.424 8.684 36.550 1.00 31.28 ? 225 ILE A CD1 1 ATOM 861 N N . LEU A 1 110 ? 9.791 9.168 31.942 1.00 32.89 ? 226 LEU A N 1 ATOM 862 C CA . LEU A 1 110 ? 8.468 8.757 31.493 1.00 30.76 ? 226 LEU A CA 1 ATOM 863 C C . LEU A 1 110 ? 8.152 7.364 32.022 1.00 34.12 ? 226 LEU A C 1 ATOM 864 O O . LEU A 1 110 ? 8.963 6.445 31.907 1.00 35.38 ? 226 LEU A O 1 ATOM 865 C CB . LEU A 1 110 ? 8.365 8.789 29.968 1.00 39.28 ? 226 LEU A CB 1 ATOM 866 C CG . LEU A 1 110 ? 8.479 10.163 29.303 1.00 39.39 ? 226 LEU A CG 1 ATOM 867 C CD1 . LEU A 1 110 ? 8.117 10.067 27.829 1.00 38.99 ? 226 LEU A CD1 1 ATOM 868 C CD2 . LEU A 1 110 ? 7.606 11.192 30.011 1.00 34.10 ? 226 LEU A CD2 1 ATOM 869 N N . LYS A 1 111 ? 6.969 7.220 32.609 1.00 37.43 ? 227 LYS A N 1 ATOM 870 C CA . LYS A 1 111 ? 6.556 5.966 33.220 1.00 35.38 ? 227 LYS A CA 1 ATOM 871 C C . LYS A 1 111 ? 5.339 5.387 32.507 1.00 35.75 ? 227 LYS A C 1 ATOM 872 O O . LYS A 1 111 ? 4.296 6.036 32.420 1.00 33.85 ? 227 LYS A O 1 ATOM 873 C CB . LYS A 1 111 ? 6.235 6.187 34.698 1.00 37.43 ? 227 LYS A CB 1 ATOM 874 C CG . LYS A 1 111 ? 5.709 4.960 35.418 1.00 36.52 ? 227 LYS A CG 1 ATOM 875 C CD . LYS A 1 111 ? 5.330 5.296 36.853 1.00 42.79 ? 227 LYS A CD 1 ATOM 876 C CE . LYS A 1 111 ? 4.892 4.055 37.615 1.00 44.51 ? 227 LYS A CE 1 ATOM 877 N NZ . LYS A 1 111 ? 4.521 4.374 39.021 1.00 45.57 ? 227 LYS A NZ 1 ATOM 878 N N . CYS A 1 112 ? 5.479 4.168 31.997 1.00 42.25 ? 228 CYS A N 1 ATOM 879 C CA . CYS A 1 112 ? 4.366 3.483 31.349 1.00 37.12 ? 228 CYS A CA 1 ATOM 880 C C . CYS A 1 112 ? 3.462 2.842 32.394 1.00 35.70 ? 228 CYS A C 1 ATOM 881 O O . CYS A 1 112 ? 3.917 2.051 33.220 1.00 40.53 ? 228 CYS A O 1 ATOM 882 C CB . CYS A 1 112 ? 4.879 2.424 30.374 1.00 37.87 ? 228 CYS A CB 1 ATOM 883 S SG . CYS A 1 112 ? 3.577 1.426 29.613 1.00 45.97 ? 228 CYS A SG 1 ATOM 884 N N . ASN A 1 113 ? 2.180 3.185 32.353 1.00 33.70 ? 229 ASN A N 1 ATOM 885 C CA . ASN A 1 113 ? 1.224 2.682 33.333 1.00 35.20 ? 229 ASN A CA 1 ATOM 886 C C . ASN A 1 113 ? 0.224 1.685 32.750 1.00 47.69 ? 229 ASN A C 1 ATOM 887 O O . ASN A 1 113 ? -0.792 1.381 33.376 1.00 47.97 ? 229 ASN A O 1 ATOM 888 C CB . ASN A 1 113 ? 0.487 3.845 34.006 1.00 37.14 ? 229 ASN A CB 1 ATOM 889 C CG . ASN A 1 113 ? 1.424 4.767 34.762 1.00 45.91 ? 229 ASN A CG 1 ATOM 890 O OD1 . ASN A 1 113 ? 2.236 4.318 35.573 1.00 43.06 ? 229 ASN A OD1 1 ATOM 891 N ND2 . ASN A 1 113 ? 1.327 6.062 34.490 1.00 37.58 ? 229 ASN A ND2 1 ATOM 892 N N . ASP A 1 114 ? 0.512 1.184 31.553 1.00 41.36 ? 230 ASP A N 1 ATOM 893 C CA . ASP A 1 114 ? -0.313 0.144 30.950 1.00 45.02 ? 230 ASP A CA 1 ATOM 894 C C . ASP A 1 114 ? -0.259 -1.110 31.818 1.00 43.91 ? 230 ASP A C 1 ATOM 895 O O . ASP A 1 114 ? 0.822 -1.569 32.199 1.00 43.07 ? 230 ASP A O 1 ATOM 896 C CB . ASP A 1 114 ? 0.142 -0.153 29.519 1.00 47.91 ? 230 ASP A CB 1 ATOM 897 C CG . ASP A 1 114 ? -0.267 0.936 28.540 1.00 55.01 ? 230 ASP A CG 1 ATOM 898 O OD1 . ASP A 1 114 ? -0.628 2.044 28.993 1.00 66.55 ? 230 ASP A OD1 1 ATOM 899 O OD2 . ASP A 1 114 ? -0.221 0.688 27.317 1.00 59.12 ? 230 ASP A OD2 1 ATOM 900 N N . LYS A 1 115 ? -1.433 -1.654 32.129 1.00 57.09 ? 231 LYS A N 1 ATOM 901 C CA . LYS A 1 115 ? -1.570 -2.697 33.146 1.00 69.44 ? 231 LYS A CA 1 ATOM 902 C C . LYS A 1 115 ? -0.880 -4.016 32.808 1.00 67.27 ? 231 LYS A C 1 ATOM 903 O O . LYS A 1 115 ? -0.396 -4.713 33.697 1.00 63.59 ? 231 LYS A O 1 ATOM 904 C CB . LYS A 1 115 ? -3.048 -2.938 33.461 1.00 82.23 ? 231 LYS A CB 1 ATOM 905 C CG . LYS A 1 115 ? -3.790 -1.683 33.905 1.00 94.37 ? 231 LYS A CG 1 ATOM 906 C CD . LYS A 1 115 ? -5.277 -1.932 34.086 1.00 106.23 ? 231 LYS A CD 1 ATOM 907 C CE . LYS A 1 115 ? -5.991 -0.658 34.514 1.00 112.22 ? 231 LYS A CE 1 ATOM 908 N NZ . LYS A 1 115 ? -7.452 -0.861 34.698 1.00 120.49 ? 231 LYS A NZ 1 ATOM 909 N N . ASN A 1 116 ? -0.833 -4.363 31.528 1.00 57.13 ? 232 ASN A N 1 ATOM 910 C CA . ASN A 1 116 ? -0.172 -5.596 31.104 1.00 56.28 ? 232 ASN A CA 1 ATOM 911 C C . ASN A 1 116 ? 1.010 -5.343 30.170 1.00 54.02 ? 232 ASN A C 1 ATOM 912 O O . ASN A 1 116 ? 1.283 -6.138 29.273 1.00 57.20 ? 232 ASN A O 1 ATOM 913 C CB . ASN A 1 116 ? -1.181 -6.543 30.452 1.00 52.28 ? 232 ASN A CB 1 ATOM 914 C CG . ASN A 1 116 ? -2.209 -7.066 31.439 1.00 61.54 ? 232 ASN A CG 1 ATOM 915 O OD1 . ASN A 1 116 ? -1.880 -7.397 32.580 1.00 47.27 ? 232 ASN A OD1 1 ATOM 916 N ND2 . ASN A 1 116 ? -3.461 -7.147 31.003 1.00 63.22 ? 232 ASN A ND2 1 ATOM 917 N N . PHE A 1 117 ? 1.703 -4.233 30.396 1.00 41.37 ? 233 PHE A N 1 ATOM 918 C CA . PHE A 1 117 ? 2.830 -3.826 29.563 1.00 47.22 ? 233 PHE A CA 1 ATOM 919 C C . PHE A 1 117 ? 3.980 -4.833 29.641 1.00 41.84 ? 233 PHE A C 1 ATOM 920 O O . PHE A 1 117 ? 4.446 -5.172 30.727 1.00 34.58 ? 233 PHE A O 1 ATOM 921 C CB . PHE A 1 117 ? 3.295 -2.430 29.987 1.00 43.51 ? 233 PHE A CB 1 ATOM 922 C CG . PHE A 1 117 ? 4.392 -1.866 29.135 1.00 42.54 ? 233 PHE A CG 1 ATOM 923 C CD1 . PHE A 1 117 ? 4.214 -1.699 27.772 1.00 40.83 ? 233 PHE A CD1 1 ATOM 924 C CD2 . PHE A 1 117 ? 5.592 -1.479 29.703 1.00 44.27 ? 233 PHE A CD2 1 ATOM 925 C CE1 . PHE A 1 117 ? 5.220 -1.174 26.991 1.00 46.33 ? 233 PHE A CE1 1 ATOM 926 C CE2 . PHE A 1 117 ? 6.600 -0.952 28.927 1.00 48.67 ? 233 PHE A CE2 1 ATOM 927 C CZ . PHE A 1 117 ? 6.413 -0.801 27.569 1.00 47.62 ? 233 PHE A CZ 1 ATOM 928 N N . ASN A 1 118 ? 4.432 -5.313 28.483 1.00 34.73 ? 234 ASN A N 1 ATOM 929 C CA . ASN A 1 118 ? 5.463 -6.350 28.450 1.00 46.39 ? 234 ASN A CA 1 ATOM 930 C C . ASN A 1 118 ? 6.900 -5.828 28.417 1.00 39.68 ? 234 ASN A C 1 ATOM 931 O O . ASN A 1 118 ? 7.848 -6.609 28.453 1.00 41.27 ? 234 ASN A O 1 ATOM 932 C CB . ASN A 1 118 ? 5.220 -7.344 27.305 1.00 47.49 ? 234 ASN A CB 1 ATOM 933 C CG . ASN A 1 118 ? 5.271 -6.696 25.934 1.00 57.52 ? 234 ASN A CG 1 ATOM 934 O OD1 . ASN A 1 118 ? 5.919 -5.667 25.732 1.00 36.42 ? 234 ASN A OD1 1 ATOM 935 N ND2 . ASN A 1 118 ? 4.585 -7.309 24.975 1.00 62.82 ? 234 ASN A ND2 1 ATOM 936 N N . GLY A 1 119 ? 7.055 -4.510 28.348 1.00 41.17 ? 235 GLY A N 1 ATOM 937 C CA . GLY A 1 119 ? 8.375 -3.904 28.383 1.00 36.81 ? 235 GLY A CA 1 ATOM 938 C C . GLY A 1 119 ? 8.814 -3.279 27.072 1.00 41.15 ? 235 GLY A C 1 ATOM 939 O O . GLY A 1 119 ? 9.711 -2.436 27.050 1.00 42.03 ? 235 GLY A O 1 ATOM 940 N N . THR A 1 120 ? 8.190 -3.696 25.974 1.00 44.17 ? 236 THR A N 1 ATOM 941 C CA . THR A 1 120 ? 8.517 -3.153 24.660 1.00 53.24 ? 236 THR A CA 1 ATOM 942 C C . THR A 1 120 ? 7.266 -2.698 23.916 1.00 58.75 ? 236 THR A C 1 ATOM 943 O O . THR A 1 120 ? 6.174 -3.225 24.131 1.00 63.35 ? 236 THR A O 1 ATOM 944 C CB . THR A 1 120 ? 9.256 -4.181 23.779 1.00 48.56 ? 236 THR A CB 1 ATOM 945 O OG1 . THR A 1 120 ? 8.379 -5.273 23.474 1.00 51.13 ? 236 THR A OG1 1 ATOM 946 C CG2 . THR A 1 120 ? 10.497 -4.704 24.484 1.00 44.41 ? 236 THR A CG2 1 ATOM 947 N N . GLY A 1 121 ? 7.444 -1.678 23.115 1.00 44.70 ? 237 GLY A N 1 ATOM 948 C CA . GLY A 1 121 ? 6.391 -1.180 22.329 1.00 45.00 ? 237 GLY A CA 1 ATOM 949 C C . GLY A 1 121 ? 5.782 0.105 22.804 1.00 47.01 ? 237 GLY A C 1 ATOM 950 O O . GLY A 1 121 ? 6.314 0.789 23.673 1.00 42.30 ? 237 GLY A O 1 ATOM 951 N N . PRO A 1 122 ? 4.630 0.420 22.082 1.00 40.57 ? 238 PRO A N 1 ATOM 952 C CA . PRO A 1 122 ? 3.922 1.576 22.600 1.00 53.29 ? 238 PRO A CA 1 ATOM 953 C C . PRO A 1 122 ? 3.145 1.389 23.886 1.00 54.25 ? 238 PRO A C 1 ATOM 954 O O . PRO A 1 122 ? 2.720 0.373 24.240 1.00 53.69 ? 238 PRO A O 1 ATOM 955 C CB . PRO A 1 122 ? 3.008 2.048 21.419 1.00 44.56 ? 238 PRO A CB 1 ATOM 956 C CG . PRO A 1 122 ? 2.708 0.861 20.675 1.00 45.85 ? 238 PRO A CG 1 ATOM 957 C CD . PRO A 1 122 ? 3.903 -0.011 20.771 1.00 46.95 ? 238 PRO A CD 1 ATOM 958 N N . CYS A 1 123 ? 3.068 2.482 24.568 1.00 49.94 ? 239 CYS A N 1 ATOM 959 C CA . CYS A 1 123 ? 2.409 2.647 25.798 1.00 45.39 ? 239 CYS A CA 1 ATOM 960 C C . CYS A 1 123 ? 1.420 3.781 25.723 1.00 46.00 ? 239 CYS A C 1 ATOM 961 O O . CYS A 1 123 ? 1.758 4.838 25.378 1.00 45.36 ? 239 CYS A O 1 ATOM 962 C CB . CYS A 1 123 ? 3.403 2.980 26.902 1.00 44.78 ? 239 CYS A CB 1 ATOM 963 S SG . CYS A 1 123 ? 2.575 3.006 28.460 1.00 52.98 ? 239 CYS A SG 1 ATOM 964 N N . LYS A 1 124 ? 0.208 3.508 26.158 1.00 53.83 ? 240 LYS A N 1 ATOM 965 C CA . LYS A 1 124 ? -0.853 4.489 26.101 1.00 61.44 ? 240 LYS A CA 1 ATOM 966 C C . LYS A 1 124 ? -0.918 5.405 27.320 1.00 63.36 ? 240 LYS A C 1 ATOM 967 O O . LYS A 1 124 ? -0.930 6.599 27.174 1.00 63.26 ? 240 LYS A O 1 ATOM 968 C CB . LYS A 1 124 ? -2.212 3.818 26.019 1.00 67.67 ? 240 LYS A CB 1 ATOM 969 C CG . LYS A 1 124 ? -2.524 3.053 24.765 1.00 73.27 ? 240 LYS A CG 1 ATOM 970 C CD . LYS A 1 124 ? -3.902 2.454 24.909 1.00 83.37 ? 240 LYS A CD 1 ATOM 971 C CE . LYS A 1 124 ? -4.324 1.673 23.670 1.00 86.15 ? 240 LYS A CE 1 ATOM 972 N NZ . LYS A 1 124 ? -5.675 1.049 23.795 1.00 83.02 ? 240 LYS A NZ 1 ATOM 973 N N . ASN A 1 125 ? -0.962 4.799 28.485 1.00 55.34 ? 241 ASN A N 1 ATOM 974 C CA . ASN A 1 125 ? -1.211 5.520 29.698 1.00 43.32 ? 241 ASN A CA 1 ATOM 975 C C . ASN A 1 125 ? 0.213 5.802 30.331 1.00 45.44 ? 241 ASN A C 1 ATOM 976 O O . ASN A 1 125 ? 0.740 5.039 31.042 1.00 42.65 ? 241 ASN A O 1 ATOM 977 C CB . ASN A 1 125 ? -2.250 4.800 30.629 1.00 46.37 ? 241 ASN A CB 1 ATOM 978 C CG . ASN A 1 125 ? -3.642 4.481 29.958 1.00 115.22 ? 241 ASN A CG 1 ATOM 979 O OD1 . ASN A 1 125 ? -4.170 5.254 29.153 1.00 110.35 ? 241 ASN A OD1 1 ATOM 980 N ND2 . ASN A 1 125 ? -4.276 3.381 30.386 1.00 129.21 ? 241 ASN A ND2 1 ATOM 981 N N . VAL A 1 126 ? 0.728 6.940 29.969 1.00 39.89 ? 242 VAL A N 1 ATOM 982 C CA . VAL A 1 126 ? 2.023 7.360 30.294 1.00 45.17 ? 242 VAL A CA 1 ATOM 983 C C . VAL A 1 126 ? 1.928 8.520 31.262 1.00 52.04 ? 242 VAL A C 1 ATOM 984 O O . VAL A 1 126 ? 1.268 9.528 30.983 1.00 52.87 ? 242 VAL A O 1 ATOM 985 C CB . VAL A 1 126 ? 2.845 7.899 29.103 1.00 44.97 ? 242 VAL A CB 1 ATOM 986 C CG1 . VAL A 1 126 ? 4.196 8.386 29.555 1.00 35.26 ? 242 VAL A CG1 1 ATOM 987 C CG2 . VAL A 1 126 ? 2.928 6.983 27.903 1.00 37.29 ? 242 VAL A CG2 1 ATOM 988 N N . SER A 1 127 ? 2.750 8.438 32.275 1.00 42.82 ? 243 SER A N 1 ATOM 989 C CA . SER A 1 127 ? 2.903 9.564 33.195 1.00 46.96 ? 243 SER A CA 1 ATOM 990 C C . SER A 1 127 ? 4.343 10.071 33.230 1.00 48.24 ? 243 SER A C 1 ATOM 991 O O . SER A 1 127 ? 5.251 9.440 32.686 1.00 39.97 ? 243 SER A O 1 ATOM 992 C CB . SER A 1 127 ? 2.445 9.183 34.605 1.00 40.64 ? 243 SER A CB 1 ATOM 993 O OG . SER A 1 127 ? 3.244 8.140 35.138 1.00 40.77 ? 243 SER A OG 1 ATOM 994 N N . SER A 1 128 ? 4.543 11.215 33.875 1.00 51.73 ? 244 SER A N 1 ATOM 995 C CA . SER A 1 128 ? 5.862 11.824 33.981 1.00 45.39 ? 244 SER A CA 1 ATOM 996 C C . SER A 1 128 ? 6.282 11.963 35.442 1.00 35.26 ? 244 SER A C 1 ATOM 997 O O . SER A 1 128 ? 5.536 12.497 36.262 1.00 43.56 ? 244 SER A O 1 ATOM 998 C CB . SER A 1 128 ? 5.870 13.194 33.301 1.00 46.53 ? 244 SER A CB 1 ATOM 999 O OG . SER A 1 128 ? 7.139 13.811 33.410 1.00 58.61 ? 244 SER A OG 1 ATOM 1000 N N . VAL A 1 129 ? 7.477 11.477 35.763 1.00 35.26 ? 245 VAL A N 1 ATOM 1001 C CA . VAL A 1 129 ? 7.985 11.530 37.130 1.00 45.15 ? 245 VAL A CA 1 ATOM 1002 C C . VAL A 1 129 ? 9.442 11.973 37.153 1.00 46.16 ? 245 VAL A C 1 ATOM 1003 O O . VAL A 1 129 ? 10.129 11.928 36.133 1.00 47.81 ? 245 VAL A O 1 ATOM 1004 C CB . VAL A 1 129 ? 7.883 10.158 37.832 1.00 41.17 ? 245 VAL A CB 1 ATOM 1005 C CG1 . VAL A 1 129 ? 6.428 9.735 37.985 1.00 37.39 ? 245 VAL A CG1 1 ATOM 1006 C CG2 . VAL A 1 129 ? 8.672 9.108 37.063 1.00 29.40 ? 245 VAL A CG2 1 ATOM 1007 N N . GLN A 1 130 ? 9.910 12.402 38.321 1.00 35.43 ? 246 GLN A N 1 ATOM 1008 C CA . GLN A 1 130 ? 11.317 12.744 38.492 1.00 41.34 ? 246 GLN A CA 1 ATOM 1009 C C . GLN A 1 130 ? 12.119 11.533 38.958 1.00 41.66 ? 246 GLN A C 1 ATOM 1010 O O . GLN A 1 130 ? 13.279 11.367 38.585 1.00 40.87 ? 246 GLN A O 1 ATOM 1011 C CB . GLN A 1 130 ? 11.488 13.892 39.489 1.00 48.05 ? 246 GLN A CB 1 ATOM 1012 C CG . GLN A 1 130 ? 12.931 14.356 39.636 1.00 52.85 ? 246 GLN A CG 1 ATOM 1013 C CD . GLN A 1 130 ? 13.124 15.349 40.765 1.00 70.73 ? 246 GLN A CD 1 ATOM 1014 O OE1 . GLN A 1 130 ? 12.383 15.343 41.748 1.00 75.03 ? 246 GLN A OE1 1 ATOM 1015 N NE2 . GLN A 1 130 ? 14.125 16.211 40.627 1.00 72.82 ? 246 GLN A NE2 1 ATOM 1016 N N . CYS A 1 131 ? 11.493 10.688 39.773 1.00 35.93 ? 247 CYS A N 1 ATOM 1017 C CA . CYS A 1 131 ? 12.171 9.523 40.334 1.00 34.73 ? 247 CYS A CA 1 ATOM 1018 C C . CYS A 1 131 ? 11.372 8.238 40.139 1.00 31.03 ? 247 CYS A C 1 ATOM 1019 O O . CYS A 1 131 ? 10.143 8.251 40.174 1.00 31.96 ? 247 CYS A O 1 ATOM 1020 C CB . CYS A 1 131 ? 12.437 9.728 41.828 1.00 30.65 ? 247 CYS A CB 1 ATOM 1021 S SG . CYS A 1 131 ? 13.538 11.108 42.224 1.00 44.14 ? 247 CYS A SG 1 ATOM 1022 N N . THR A 1 132 ? 12.078 7.130 39.938 1.00 34.09 ? 248 THR A N 1 ATOM 1023 C CA . THR A 1 132 ? 11.442 5.820 39.886 1.00 31.14 ? 248 THR A CA 1 ATOM 1024 C C . THR A 1 132 ? 10.995 5.426 41.289 1.00 38.39 ? 248 THR A C 1 ATOM 1025 O O . THR A 1 132 ? 11.267 6.136 42.258 1.00 23.91 ? 248 THR A O 1 ATOM 1026 C CB . THR A 1 132 ? 12.410 4.737 39.371 1.00 32.03 ? 248 THR A CB 1 ATOM 1027 O OG1 . THR A 1 132 ? 13.451 4.524 40.334 1.00 32.91 ? 248 THR A OG1 1 ATOM 1028 C CG2 . THR A 1 132 ? 13.026 5.151 38.043 1.00 33.72 ? 248 THR A CG2 1 ATOM 1029 N N . HIS A 1 133 ? 10.313 4.291 41.399 1.00 33.61 ? 249 HIS A N 1 ATOM 1030 C CA . HIS A 1 133 ? 9.956 3.749 42.703 1.00 35.22 ? 249 HIS A CA 1 ATOM 1031 C C . HIS A 1 133 ? 11.203 3.172 43.366 1.00 35.97 ? 249 HIS A C 1 ATOM 1032 O O . HIS A 1 133 ? 12.236 2.992 42.717 1.00 31.14 ? 249 HIS A O 1 ATOM 1033 C CB . HIS A 1 133 ? 8.889 2.663 42.564 1.00 31.59 ? 249 HIS A CB 1 ATOM 1034 C CG . HIS A 1 133 ? 9.385 1.409 41.913 1.00 39.92 ? 249 HIS A CG 1 ATOM 1035 N ND1 . HIS A 1 133 ? 9.586 1.305 40.554 1.00 33.47 ? 249 HIS A ND1 1 ATOM 1036 C CD2 . HIS A 1 133 ? 9.724 0.206 42.436 1.00 41.79 ? 249 HIS A CD2 1 ATOM 1037 C CE1 . HIS A 1 133 ? 10.024 0.092 40.266 1.00 35.47 ? 249 HIS A CE1 1 ATOM 1038 N NE2 . HIS A 1 133 ? 10.117 -0.594 41.391 1.00 43.05 ? 249 HIS A NE2 1 ATOM 1039 N N . GLY A 1 134 ? 11.101 2.881 44.659 1.00 34.80 ? 250 GLY A N 1 ATOM 1040 C CA . GLY A 1 134 ? 12.218 2.333 45.405 1.00 30.28 ? 250 GLY A CA 1 ATOM 1041 C C . GLY A 1 134 ? 12.537 0.908 44.999 1.00 31.24 ? 250 GLY A C 1 ATOM 1042 O O . GLY A 1 134 ? 11.724 0.001 45.179 1.00 36.57 ? 250 GLY A O 1 ATOM 1043 N N . ILE A 1 135 ? 13.730 0.714 44.451 1.00 25.88 ? 251 ILE A N 1 ATOM 1044 C CA . ILE A 1 135 ? 14.152 -0.592 43.969 1.00 31.53 ? 251 ILE A CA 1 ATOM 1045 C C . ILE A 1 135 ? 15.289 -1.151 44.815 1.00 28.28 ? 251 ILE A C 1 ATOM 1046 O O . ILE A 1 135 ? 16.352 -0.540 44.924 1.00 32.97 ? 251 ILE A O 1 ATOM 1047 C CB . ILE A 1 135 ? 14.618 -0.514 42.504 1.00 25.62 ? 251 ILE A CB 1 ATOM 1048 C CG1 . ILE A 1 135 ? 13.517 0.097 41.631 1.00 32.21 ? 251 ILE A CG1 1 ATOM 1049 C CG2 . ILE A 1 135 ? 15.014 -1.892 41.995 1.00 27.77 ? 251 ILE A CG2 1 ATOM 1050 C CD1 . ILE A 1 135 ? 13.963 0.422 40.220 1.00 23.78 ? 251 ILE A CD1 1 ATOM 1051 N N . LYS A 1 136 ? 15.060 -2.311 45.421 1.00 30.10 ? 252 LYS A N 1 ATOM 1052 C CA . LYS A 1 136 ? 16.108 -2.994 46.169 1.00 31.91 ? 252 LYS A CA 1 ATOM 1053 C C . LYS A 1 136 ? 17.035 -3.742 45.216 1.00 26.38 ? 252 LYS A C 1 ATOM 1054 O O . LYS A 1 136 ? 16.577 -4.520 44.380 1.00 34.76 ? 252 LYS A O 1 ATOM 1055 C CB . LYS A 1 136 ? 15.505 -3.953 47.200 1.00 27.68 ? 252 LYS A CB 1 ATOM 1056 C CG . LYS A 1 136 ? 14.750 -3.251 48.324 1.00 34.45 ? 252 LYS A CG 1 ATOM 1057 C CD . LYS A 1 136 ? 14.382 -4.212 49.446 1.00 41.00 ? 252 LYS A CD 1 ATOM 1058 C CE . LYS A 1 136 ? 13.420 -5.287 48.969 1.00 49.97 ? 252 LYS A CE 1 ATOM 1059 N NZ . LYS A 1 136 ? 12.102 -4.732 48.553 1.00 51.20 ? 252 LYS A NZ 1 ATOM 1060 N N . PRO A 1 137 ? 18.342 -3.491 45.340 1.00 36.98 ? 253 PRO A N 1 ATOM 1061 C CA . PRO A 1 137 ? 19.337 -4.127 44.470 1.00 31.20 ? 253 PRO A CA 1 ATOM 1062 C C . PRO A 1 137 ? 19.584 -5.590 44.834 1.00 33.47 ? 253 PRO A C 1 ATOM 1063 O O . PRO A 1 137 ? 20.709 -5.961 45.169 1.00 32.75 ? 253 PRO A O 1 ATOM 1064 C CB . PRO A 1 137 ? 20.597 -3.299 44.727 1.00 43.04 ? 253 PRO A CB 1 ATOM 1065 C CG . PRO A 1 137 ? 20.431 -2.804 46.122 1.00 45.64 ? 253 PRO A CG 1 ATOM 1066 C CD . PRO A 1 137 ? 18.960 -2.544 46.286 1.00 34.87 ? 253 PRO A CD 1 ATOM 1067 N N . VAL A 1 138 ? 18.544 -6.412 44.755 1.00 27.65 ? 254 VAL A N 1 ATOM 1068 C CA . VAL A 1 138 ? 18.655 -7.820 45.117 1.00 31.55 ? 254 VAL A CA 1 ATOM 1069 C C . VAL A 1 138 ? 19.326 -8.639 44.017 1.00 33.08 ? 254 VAL A C 1 ATOM 1070 O O . VAL A 1 138 ? 18.789 -8.786 42.919 1.00 34.68 ? 254 VAL A O 1 ATOM 1071 C CB . VAL A 1 138 ? 17.276 -8.428 45.427 1.00 32.76 ? 254 VAL A CB 1 ATOM 1072 C CG1 . VAL A 1 138 ? 17.435 -9.843 45.962 1.00 33.25 ? 254 VAL A CG1 1 ATOM 1073 C CG2 . VAL A 1 138 ? 16.527 -7.557 46.422 1.00 27.37 ? 254 VAL A CG2 1 ATOM 1074 N N . VAL A 1 139 ? 20.502 -9.177 44.323 1.00 38.12 ? 255 VAL A N 1 ATOM 1075 C CA . VAL A 1 139 ? 21.256 -9.969 43.359 1.00 32.75 ? 255 VAL A CA 1 ATOM 1076 C C . VAL A 1 139 ? 20.939 -11.450 43.509 1.00 36.65 ? 255 VAL A C 1 ATOM 1077 O O . VAL A 1 139 ? 21.156 -12.040 44.570 1.00 33.78 ? 255 VAL A O 1 ATOM 1078 C CB . VAL A 1 139 ? 22.773 -9.748 43.511 1.00 27.93 ? 255 VAL A CB 1 ATOM 1079 C CG1 . VAL A 1 139 ? 23.546 -10.735 42.654 1.00 28.21 ? 255 VAL A CG1 1 ATOM 1080 C CG2 . VAL A 1 139 ? 23.137 -8.316 43.150 1.00 34.24 ? 255 VAL A CG2 1 ATOM 1081 N N . SER A 1 140 ? 20.422 -12.050 42.442 1.00 30.36 ? 256 SER A N 1 ATOM 1082 C CA . SER A 1 140 ? 20.048 -13.457 42.473 1.00 26.02 ? 256 SER A CA 1 ATOM 1083 C C . SER A 1 140 ? 19.999 -14.069 41.080 1.00 34.50 ? 256 SER A C 1 ATOM 1084 O O . SER A 1 140 ? 20.028 -13.362 40.072 1.00 31.68 ? 256 SER A O 1 ATOM 1085 C CB . SER A 1 140 ? 18.688 -13.626 43.149 1.00 27.85 ? 256 SER A CB 1 ATOM 1086 O OG . SER A 1 140 ? 17.672 -12.981 42.403 1.00 34.02 ? 256 SER A OG 1 ATOM 1087 N N . THR A 1 141 ? 19.927 -15.395 41.037 1.00 25.28 ? 257 THR A N 1 ATOM 1088 C CA . THR A 1 141 ? 19.716 -16.114 39.790 1.00 27.28 ? 257 THR A CA 1 ATOM 1089 C C . THR A 1 141 ? 18.480 -16.991 39.924 1.00 29.91 ? 257 THR A C 1 ATOM 1090 O O . THR A 1 141 ? 17.989 -17.211 41.033 1.00 34.40 ? 257 THR A O 1 ATOM 1091 C CB . THR A 1 141 ? 20.926 -16.990 39.425 1.00 29.66 ? 257 THR A CB 1 ATOM 1092 O OG1 . THR A 1 141 ? 21.090 -18.020 40.409 1.00 34.28 ? 257 THR A OG1 1 ATOM 1093 C CG2 . THR A 1 141 ? 22.191 -16.151 39.356 1.00 25.40 ? 257 THR A CG2 1 ATOM 1094 N N . GLN A 1 142 ? 17.984 -17.480 38.789 1.00 29.20 ? 258 GLN A N 1 ATOM 1095 C CA . GLN A 1 142 ? 16.787 -18.325 38.733 1.00 25.53 ? 258 GLN A CA 1 ATOM 1096 C C . GLN A 1 142 ? 15.518 -17.625 39.215 1.00 30.54 ? 258 GLN A C 1 ATOM 1097 O O . GLN A 1 142 ? 14.581 -17.430 38.442 1.00 32.49 ? 258 GLN A O 1 ATOM 1098 C CB . GLN A 1 142 ? 16.997 -19.640 39.488 1.00 26.89 ? 258 GLN A CB 1 ATOM 1099 C CG . GLN A 1 142 ? 18.115 -20.497 38.926 1.00 26.42 ? 258 GLN A CG 1 ATOM 1100 C CD . GLN A 1 142 ? 17.999 -21.948 39.344 1.00 27.97 ? 258 GLN A CD 1 ATOM 1101 O OE1 . GLN A 1 142 ? 17.127 -22.309 40.133 1.00 33.01 ? 258 GLN A OE1 1 ATOM 1102 N NE2 . GLN A 1 142 ? 18.871 -22.791 38.806 1.00 25.82 ? 258 GLN A NE2 1 ATOM 1103 N N . LEU A 1 143 ? 15.490 -17.255 40.490 1.00 34.71 ? 259 LEU A N 1 ATOM 1104 C CA . LEU A 1 143 ? 14.315 -16.624 41.076 1.00 35.24 ? 259 LEU A CA 1 ATOM 1105 C C . LEU A 1 143 ? 14.585 -15.169 41.432 1.00 38.62 ? 259 LEU A C 1 ATOM 1106 O O . LEU A 1 143 ? 15.623 -14.845 42.012 1.00 36.08 ? 259 LEU A O 1 ATOM 1107 C CB . LEU A 1 143 ? 13.873 -17.381 42.331 1.00 28.05 ? 259 LEU A CB 1 ATOM 1108 C CG . LEU A 1 143 ? 13.711 -18.896 42.206 1.00 27.01 ? 259 LEU A CG 1 ATOM 1109 C CD1 . LEU A 1 143 ? 13.366 -19.507 43.557 1.00 22.51 ? 259 LEU A CD1 1 ATOM 1110 C CD2 . LEU A 1 143 ? 12.654 -19.250 41.167 1.00 24.55 ? 259 LEU A CD2 1 ATOM 1111 N N . LEU A 1 144 ? 13.648 -14.295 41.079 1.00 31.30 ? 260 LEU A N 1 ATOM 1112 C CA . LEU A 1 144 ? 13.724 -12.892 41.462 1.00 30.08 ? 260 LEU A CA 1 ATOM 1113 C C . LEU A 1 144 ? 13.067 -12.722 42.827 1.00 31.02 ? 260 LEU A C 1 ATOM 1114 O O . LEU A 1 144 ? 11.957 -13.204 43.048 1.00 28.65 ? 260 LEU A O 1 ATOM 1115 C CB . LEU A 1 144 ? 13.033 -12.011 40.419 1.00 31.08 ? 260 LEU A CB 1 ATOM 1116 C CG . LEU A 1 144 ? 13.632 -12.057 39.010 1.00 37.22 ? 260 LEU A CG 1 ATOM 1117 C CD1 . LEU A 1 144 ? 12.795 -11.250 38.029 1.00 31.37 ? 260 LEU A CD1 1 ATOM 1118 C CD2 . LEU A 1 144 ? 15.069 -11.559 39.024 1.00 32.48 ? 260 LEU A CD2 1 ATOM 1119 N N . LEU A 1 145 ? 13.754 -12.043 43.741 1.00 31.53 ? 261 LEU A N 1 ATOM 1120 C CA . LEU A 1 145 ? 13.297 -11.952 45.125 1.00 33.42 ? 261 LEU A CA 1 ATOM 1121 C C . LEU A 1 145 ? 13.014 -10.519 45.566 1.00 36.80 ? 261 LEU A C 1 ATOM 1122 O O . LEU A 1 145 ? 13.702 -9.586 45.155 1.00 41.09 ? 261 LEU A O 1 ATOM 1123 C CB . LEU A 1 145 ? 14.329 -12.587 46.059 1.00 34.64 ? 261 LEU A CB 1 ATOM 1124 C CG . LEU A 1 145 ? 14.768 -14.008 45.693 1.00 35.33 ? 261 LEU A CG 1 ATOM 1125 C CD1 . LEU A 1 145 ? 15.918 -14.460 46.577 1.00 30.31 ? 261 LEU A CD1 1 ATOM 1126 C CD2 . LEU A 1 145 ? 13.596 -14.975 45.791 1.00 27.13 ? 261 LEU A CD2 1 ATOM 1127 N N . ASN A 1 146 ? 11.992 -10.362 46.406 1.00 36.20 ? 262 ASN A N 1 ATOM 1128 C CA . ASN A 1 146 ? 11.639 -9.071 46.996 1.00 32.29 ? 262 ASN A CA 1 ATOM 1129 C C . ASN A 1 146 ? 11.408 -7.955 45.979 1.00 33.67 ? 262 ASN A C 1 ATOM 1130 O O . ASN A 1 146 ? 11.660 -6.784 46.263 1.00 36.12 ? 262 ASN A O 1 ATOM 1131 C CB . ASN A 1 146 ? 12.696 -8.634 48.015 1.00 38.23 ? 262 ASN A CB 1 ATOM 1132 C CG . ASN A 1 146 ? 12.782 -9.566 49.207 1.00 38.22 ? 262 ASN A CG 1 ATOM 1133 O OD1 . ASN A 1 146 ? 11.877 -10.363 49.453 1.00 41.48 ? 262 ASN A OD1 1 ATOM 1134 N ND2 . ASN A 1 146 ? 13.875 -9.464 49.959 1.00 36.12 ? 262 ASN A ND2 1 ATOM 1135 N N . GLY A 1 147 ? 10.929 -8.318 44.795 1.00 29.61 ? 263 GLY A N 1 ATOM 1136 C CA . GLY A 1 147 ? 10.671 -7.338 43.757 1.00 32.40 ? 263 GLY A CA 1 ATOM 1137 C C . GLY A 1 147 ? 9.235 -6.857 43.761 1.00 38.58 ? 263 GLY A C 1 ATOM 1138 O O . GLY A 1 147 ? 8.465 -7.173 44.668 1.00 39.22 ? 263 GLY A O 1 ATOM 1139 N N . SER A 1 148 ? 8.873 -6.085 42.742 1.00 40.07 ? 264 SER A N 1 ATOM 1140 C CA . SER A 1 148 ? 7.498 -5.630 42.588 1.00 34.05 ? 264 SER A CA 1 ATOM 1141 C C . SER A 1 148 ? 6.700 -6.680 41.827 1.00 42.29 ? 264 SER A C 1 ATOM 1142 O O . SER A 1 148 ? 7.255 -7.429 41.024 1.00 45.41 ? 264 SER A O 1 ATOM 1143 C CB . SER A 1 148 ? 7.454 -4.295 41.846 1.00 39.80 ? 264 SER A CB 1 ATOM 1144 O OG . SER A 1 148 ? 8.313 -3.348 42.455 1.00 45.65 ? 264 SER A OG 1 ATOM 1145 N N . LEU A 1 149 ? 5.399 -6.738 42.088 1.00 41.95 ? 265 LEU A N 1 ATOM 1146 C CA . LEU A 1 149 ? 4.525 -7.688 41.413 1.00 44.32 ? 265 LEU A CA 1 ATOM 1147 C C . LEU A 1 149 ? 3.775 -7.024 40.265 1.00 39.34 ? 265 LEU A C 1 ATOM 1148 O O . LEU A 1 149 ? 3.512 -5.821 40.299 1.00 40.85 ? 265 LEU A O 1 ATOM 1149 C CB . LEU A 1 149 ? 3.520 -8.283 42.402 1.00 38.96 ? 265 LEU A CB 1 ATOM 1150 C CG . LEU A 1 149 ? 4.056 -9.215 43.489 1.00 43.31 ? 265 LEU A CG 1 ATOM 1151 C CD1 . LEU A 1 149 ? 2.962 -9.518 44.501 1.00 41.78 ? 265 LEU A CD1 1 ATOM 1152 C CD2 . LEU A 1 149 ? 4.593 -10.497 42.878 1.00 32.92 ? 265 LEU A CD2 1 ATOM 1153 N N . ALA A 1 150 ? 3.435 -7.813 39.250 1.00 40.36 ? 266 ALA A N 1 ATOM 1154 C CA . ALA A 1 150 ? 2.574 -7.337 38.174 1.00 44.43 ? 266 ALA A CA 1 ATOM 1155 C C . ALA A 1 150 ? 1.178 -7.080 38.731 1.00 48.28 ? 266 ALA A C 1 ATOM 1156 O O . ALA A 1 150 ? 0.696 -7.828 39.582 1.00 47.83 ? 266 ALA A O 1 ATOM 1157 C CB . ALA A 1 150 ? 2.523 -8.353 37.044 1.00 35.04 ? 266 ALA A CB 1 ATOM 1158 N N . GLU A 1 151 ? 0.531 -6.022 38.252 1.00 57.78 ? 267 GLU A N 1 ATOM 1159 C CA . GLU A 1 151 ? -0.754 -5.600 38.804 1.00 63.91 ? 267 GLU A CA 1 ATOM 1160 C C . GLU A 1 151 ? -1.916 -6.501 38.385 1.00 63.50 ? 267 GLU A C 1 ATOM 1161 O O . GLU A 1 151 ? -2.705 -6.935 39.224 1.00 59.55 ? 267 GLU A O 1 ATOM 1162 C CB . GLU A 1 151 ? -1.049 -4.144 38.428 1.00 69.11 ? 267 GLU A CB 1 ATOM 1163 C CG . GLU A 1 151 ? -0.049 -3.148 38.995 1.00 83.10 ? 267 GLU A CG 1 ATOM 1164 C CD . GLU A 1 151 ? -0.042 -3.126 40.512 1.00 104.17 ? 267 GLU A CD 1 ATOM 1165 O OE1 . GLU A 1 151 ? -1.122 -3.292 41.117 1.00 113.78 ? 267 GLU A OE1 1 ATOM 1166 O OE2 . GLU A 1 151 ? 1.046 -2.945 41.099 1.00 113.52 ? 267 GLU A OE2 1 ATOM 1167 N N . GLU A 1 152 ? -2.023 -6.773 37.089 1.00 52.29 ? 268 GLU A N 1 ATOM 1168 C CA . GLU A 1 152 ? -3.093 -7.626 36.584 1.00 50.31 ? 268 GLU A CA 1 ATOM 1169 C C . GLU A 1 152 ? -2.629 -9.062 36.387 1.00 49.83 ? 268 GLU A C 1 ATOM 1170 O O . GLU A 1 152 ? -2.508 -9.826 37.344 1.00 49.13 ? 268 GLU A O 1 ATOM 1171 C CB . GLU A 1 152 ? -3.651 -7.086 35.265 1.00 47.90 ? 268 GLU A CB 1 ATOM 1172 C CG . GLU A 1 152 ? -4.740 -6.041 35.416 1.00 66.76 ? 268 GLU A CG 1 ATOM 1173 C CD . GLU A 1 152 ? -5.602 -5.931 34.172 1.00 79.07 ? 268 GLU A CD 1 ATOM 1174 O OE1 . GLU A 1 152 ? -6.365 -4.949 34.058 1.00 91.31 ? 268 GLU A OE1 1 ATOM 1175 O OE2 . GLU A 1 152 ? -5.520 -6.831 33.309 1.00 69.46 ? 268 GLU A OE2 1 ATOM 1176 N N . GLU A 1 153 ? -2.371 -9.418 35.134 1.00 49.05 ? 269 GLU A N 1 ATOM 1177 C CA . GLU A 1 153 ? -1.988 -10.778 34.786 1.00 43.53 ? 269 GLU A CA 1 ATOM 1178 C C . GLU A 1 153 ? -0.481 -10.976 34.869 1.00 42.23 ? 269 GLU A C 1 ATOM 1179 O O . GLU A 1 153 ? 0.282 -10.010 34.899 1.00 44.96 ? 269 GLU A O 1 ATOM 1180 C CB . GLU A 1 153 ? -2.481 -11.123 33.380 1.00 43.08 ? 269 GLU A CB 1 ATOM 1181 C CG . GLU A 1 153 ? -3.966 -10.882 33.176 1.00 55.06 ? 269 GLU A CG 1 ATOM 1182 C CD . GLU A 1 153 ? -4.497 -11.538 31.918 1.00 66.19 ? 269 GLU A CD 1 ATOM 1183 O OE1 . GLU A 1 153 ? -3.882 -12.521 31.455 1.00 68.74 ? 269 GLU A OE1 1 ATOM 1184 O OE2 . GLU A 1 153 ? -5.530 -11.071 31.394 1.00 74.99 ? 269 GLU A OE2 1 ATOM 1185 N N . ILE A 1 154 ? -0.063 -12.237 34.915 1.00 36.53 ? 270 ILE A N 1 ATOM 1186 C CA . ILE A 1 154 ? 1.349 -12.584 34.857 1.00 37.30 ? 270 ILE A CA 1 ATOM 1187 C C . ILE A 1 154 ? 1.906 -12.154 33.505 1.00 33.82 ? 270 ILE A C 1 ATOM 1188 O O . ILE A 1 154 ? 1.281 -12.386 32.471 1.00 36.51 ? 270 ILE A O 1 ATOM 1189 C CB . ILE A 1 154 ? 1.556 -14.099 35.055 1.00 46.87 ? 270 ILE A CB 1 ATOM 1190 C CG1 . ILE A 1 154 ? 1.056 -14.526 36.438 1.00 47.35 ? 270 ILE A CG1 1 ATOM 1191 C CG2 . ILE A 1 154 ? 3.018 -14.474 34.874 1.00 39.98 ? 270 ILE A CG2 1 ATOM 1192 C CD1 . ILE A 1 154 ? 1.262 -15.996 36.738 1.00 43.58 ? 270 ILE A CD1 1 ATOM 1193 N N . ILE A 1 155 ? 3.070 -11.514 33.516 1.00 37.03 ? 271 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? 3.653 -10.978 32.291 1.00 35.81 ? 271 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? 4.899 -11.751 31.869 1.00 38.94 ? 271 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? 5.776 -12.035 32.687 1.00 35.28 ? 271 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? 4.020 -9.484 32.443 1.00 42.82 ? 271 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? 2.841 -8.691 33.015 1.00 29.06 ? 271 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? 4.460 -8.903 31.106 1.00 38.91 ? 271 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? 1.613 -8.700 32.132 1.00 40.52 ? 271 ILE A CD1 1 ATOM 1201 N N . ILE A 1 156 ? 4.966 -12.092 30.586 1.00 35.88 ? 272 ILE A N 1 ATOM 1202 C CA . ILE A 1 156 ? 6.156 -12.707 30.014 1.00 28.32 ? 272 ILE A CA 1 ATOM 1203 C C . ILE A 1 156 ? 6.965 -11.646 29.280 1.00 32.24 ? 272 ILE A C 1 ATOM 1204 O O . ILE A 1 156 ? 6.437 -10.924 28.434 1.00 34.80 ? 272 ILE A O 1 ATOM 1205 C CB . ILE A 1 156 ? 5.801 -13.839 29.038 1.00 27.20 ? 272 ILE A CB 1 ATOM 1206 C CG1 . ILE A 1 156 ? 4.928 -14.884 29.731 1.00 31.84 ? 272 ILE A CG1 1 ATOM 1207 C CG2 . ILE A 1 156 ? 7.065 -14.487 28.487 1.00 31.50 ? 272 ILE A CG2 1 ATOM 1208 C CD1 . ILE A 1 156 ? 5.568 -15.500 30.954 1.00 42.03 ? 272 ILE A CD1 1 ATOM 1209 N N . ARG A 1 157 ? 8.246 -11.546 29.614 1.00 28.35 ? 273 ARG A N 1 ATOM 1210 C CA . ARG A 1 157 ? 9.101 -10.534 29.012 1.00 33.47 ? 273 ARG A CA 1 ATOM 1211 C C . ARG A 1 157 ? 10.286 -11.176 28.300 1.00 36.53 ? 273 ARG A C 1 ATOM 1212 O O . ARG A 1 157 ? 10.921 -12.087 28.833 1.00 30.91 ? 273 ARG A O 1 ATOM 1213 C CB . ARG A 1 157 ? 9.593 -9.552 30.077 1.00 32.54 ? 273 ARG A CB 1 ATOM 1214 C CG . ARG A 1 157 ? 8.486 -9.010 30.967 1.00 33.89 ? 273 ARG A CG 1 ATOM 1215 C CD . ARG A 1 157 ? 9.006 -7.983 31.958 1.00 34.02 ? 273 ARG A CD 1 ATOM 1216 N NE . ARG A 1 157 ? 7.972 -7.594 32.914 1.00 41.94 ? 273 ARG A NE 1 ATOM 1217 C CZ . ARG A 1 157 ? 7.051 -6.667 32.681 1.00 41.01 ? 273 ARG A CZ 1 ATOM 1218 N NH1 . ARG A 1 157 ? 7.034 -6.026 31.520 1.00 34.54 ? 273 ARG A NH1 1 ATOM 1219 N NH2 . ARG A 1 157 ? 6.146 -6.378 33.605 1.00 37.14 ? 273 ARG A NH2 1 ATOM 1220 N N . SER A 1 158 ? 10.561 -10.699 27.091 1.00 33.30 ? 274 SER A N 1 ATOM 1221 C CA . SER A 1 158 ? 11.720 -11.140 26.321 1.00 36.79 ? 274 SER A CA 1 ATOM 1222 C C . SER A 1 158 ? 12.018 -10.151 25.204 1.00 36.89 ? 274 SER A C 1 ATOM 1223 O O . SER A 1 158 ? 11.105 -9.555 24.634 1.00 34.19 ? 274 SER A O 1 ATOM 1224 C CB . SER A 1 158 ? 11.499 -12.534 25.735 1.00 36.79 ? 274 SER A CB 1 ATOM 1225 O OG . SER A 1 158 ? 12.606 -12.925 24.938 1.00 34.50 ? 274 SER A OG 1 ATOM 1226 N N . GLU A 1 159 ? 13.298 -9.974 24.896 1.00 40.54 ? 275 GLU A N 1 ATOM 1227 C CA . GLU A 1 159 ? 13.692 -9.132 23.775 1.00 35.46 ? 275 GLU A CA 1 ATOM 1228 C C . GLU A 1 159 ? 13.266 -9.796 22.470 1.00 38.67 ? 275 GLU A C 1 ATOM 1229 O O . GLU A 1 159 ? 12.985 -9.122 21.478 1.00 47.96 ? 275 GLU A O 1 ATOM 1230 C CB . GLU A 1 159 ? 15.203 -8.895 23.786 1.00 33.40 ? 275 GLU A CB 1 ATOM 1231 C CG . GLU A 1 159 ? 15.679 -7.877 22.762 1.00 40.32 ? 275 GLU A CG 1 ATOM 1232 C CD . GLU A 1 159 ? 17.165 -7.600 22.866 1.00 50.65 ? 275 GLU A CD 1 ATOM 1233 O OE1 . GLU A 1 159 ? 17.885 -8.436 23.452 1.00 57.55 ? 275 GLU A OE1 1 ATOM 1234 O OE2 . GLU A 1 159 ? 17.611 -6.546 22.370 1.00 57.65 ? 275 GLU A OE2 1 ATOM 1235 N N . ASN A 1 160 ? 13.208 -11.125 22.490 1.00 38.90 ? 276 ASN A N 1 ATOM 1236 C CA . ASN A 1 160 ? 12.824 -11.913 21.325 1.00 34.56 ? 276 ASN A CA 1 ATOM 1237 C C . ASN A 1 160 ? 12.535 -13.357 21.730 1.00 36.89 ? 276 ASN A C 1 ATOM 1238 O O . ASN A 1 160 ? 13.451 -14.173 21.838 1.00 37.12 ? 276 ASN A O 1 ATOM 1239 C CB . ASN A 1 160 ? 13.930 -11.864 20.267 1.00 42.73 ? 276 ASN A CB 1 ATOM 1240 C CG . ASN A 1 160 ? 13.491 -12.427 18.927 1.00 46.91 ? 276 ASN A CG 1 ATOM 1241 O OD1 . ASN A 1 160 ? 12.383 -12.947 18.789 1.00 37.65 ? 276 ASN A OD1 1 ATOM 1242 N ND2 . ASN A 1 160 ? 14.359 -12.310 17.926 1.00 65.49 ? 276 ASN A ND2 1 ATOM 1243 N N . LEU A 1 161 ? 11.258 -13.660 21.957 1.00 32.34 ? 277 LEU A N 1 ATOM 1244 C CA . LEU A 1 161 ? 10.835 -14.991 22.391 1.00 28.22 ? 277 LEU A CA 1 ATOM 1245 C C . LEU A 1 161 ? 11.227 -16.090 21.406 1.00 32.59 ? 277 LEU A C 1 ATOM 1246 O O . LEU A 1 161 ? 11.490 -17.224 21.807 1.00 40.79 ? 277 LEU A O 1 ATOM 1247 C CB . LEU A 1 161 ? 9.323 -15.026 22.632 1.00 30.17 ? 277 LEU A CB 1 ATOM 1248 C CG . LEU A 1 161 ? 8.821 -14.552 23.996 1.00 42.92 ? 277 LEU A CG 1 ATOM 1249 C CD1 . LEU A 1 161 ? 7.304 -14.610 24.052 1.00 42.25 ? 277 LEU A CD1 1 ATOM 1250 C CD2 . LEU A 1 161 ? 9.425 -15.393 25.110 1.00 41.10 ? 277 LEU A CD2 1 ATOM 1251 N N . THR A 1 162 ? 11.259 -15.747 20.121 1.00 35.01 ? 278 THR A N 1 ATOM 1252 C CA . THR A 1 162 ? 11.651 -16.692 19.080 1.00 44.53 ? 278 THR A CA 1 ATOM 1253 C C . THR A 1 162 ? 13.129 -17.043 19.213 1.00 49.74 ? 278 THR A C 1 ATOM 1254 O O . THR A 1 162 ? 13.557 -18.141 18.855 1.00 50.72 ? 278 THR A O 1 ATOM 1255 C CB . THR A 1 162 ? 11.383 -16.121 17.673 1.00 46.94 ? 278 THR A CB 1 ATOM 1256 O OG1 . THR A 1 162 ? 10.039 -15.629 17.604 1.00 52.58 ? 278 THR A OG1 1 ATOM 1257 C CG2 . THR A 1 162 ? 11.579 -17.192 16.608 1.00 48.07 ? 278 THR A CG2 1 ATOM 1258 N N . ASN A 1 163 ? 13.905 -16.102 19.737 1.00 40.94 ? 279 ASN A N 1 ATOM 1259 C CA . ASN A 1 163 ? 15.322 -16.329 19.981 1.00 42.00 ? 279 ASN A CA 1 ATOM 1260 C C . ASN A 1 163 ? 15.523 -16.977 21.347 1.00 36.78 ? 279 ASN A C 1 ATOM 1261 O O . ASN A 1 163 ? 15.398 -16.319 22.380 1.00 35.12 ? 279 ASN A O 1 ATOM 1262 C CB . ASN A 1 163 ? 16.094 -15.010 19.897 1.00 47.06 ? 279 ASN A CB 1 ATOM 1263 C CG . ASN A 1 163 ? 17.600 -15.213 19.835 1.00 49.77 ? 279 ASN A CG 1 ATOM 1264 O OD1 . ASN A 1 163 ? 18.120 -16.247 20.252 1.00 47.32 ? 279 ASN A OD1 1 ATOM 1265 N ND2 . ASN A 1 163 ? 18.306 -14.215 19.316 1.00 50.30 ? 279 ASN A ND2 1 ATOM 1266 N N . ASN A 1 164 ? 15.842 -18.267 21.344 1.00 35.43 ? 280 ASN A N 1 ATOM 1267 C CA . ASN A 1 164 ? 16.000 -19.016 22.586 1.00 35.29 ? 280 ASN A CA 1 ATOM 1268 C C . ASN A 1 164 ? 17.258 -18.634 23.364 1.00 36.20 ? 280 ASN A C 1 ATOM 1269 O O . ASN A 1 164 ? 17.438 -19.052 24.507 1.00 42.30 ? 280 ASN A O 1 ATOM 1270 C CB . ASN A 1 164 ? 15.983 -20.521 22.310 1.00 42.02 ? 280 ASN A CB 1 ATOM 1271 C CG . ASN A 1 164 ? 17.088 -20.951 21.369 1.00 43.34 ? 280 ASN A CG 1 ATOM 1272 O OD1 . ASN A 1 164 ? 16.935 -20.904 20.149 1.00 61.07 ? 280 ASN A OD1 1 ATOM 1273 N ND2 . ASN A 1 164 ? 18.212 -21.375 21.933 1.00 48.51 ? 280 ASN A ND2 1 ATOM 1274 N N . ALA A 1 165 ? 18.126 -17.844 22.740 1.00 39.75 ? 281 ALA A N 1 ATOM 1275 C CA . ALA A 1 165 ? 19.330 -17.362 23.406 1.00 42.54 ? 281 ALA A CA 1 ATOM 1276 C C . ALA A 1 165 ? 19.022 -16.151 24.284 1.00 48.51 ? 281 ALA A C 1 ATOM 1277 O O . ALA A 1 165 ? 19.845 -15.742 25.103 1.00 47.11 ? 281 ALA A O 1 ATOM 1278 C CB . ALA A 1 165 ? 20.408 -17.021 22.385 1.00 34.24 ? 281 ALA A CB 1 ATOM 1279 N N . LYS A 1 166 ? 17.833 -15.581 24.108 1.00 40.19 ? 282 LYS A N 1 ATOM 1280 C CA . LYS A 1 166 ? 17.412 -14.436 24.911 1.00 38.27 ? 282 LYS A CA 1 ATOM 1281 C C . LYS A 1 166 ? 16.661 -14.875 26.164 1.00 37.50 ? 282 LYS A C 1 ATOM 1282 O O . LYS A 1 166 ? 15.750 -15.701 26.102 1.00 36.40 ? 282 LYS A O 1 ATOM 1283 C CB . LYS A 1 166 ? 16.561 -13.471 24.082 1.00 27.55 ? 282 LYS A CB 1 ATOM 1284 C CG . LYS A 1 166 ? 17.343 -12.764 22.985 1.00 37.14 ? 282 LYS A CG 1 ATOM 1285 C CD . LYS A 1 166 ? 18.553 -12.045 23.561 1.00 40.60 ? 282 LYS A CD 1 ATOM 1286 C CE . LYS A 1 166 ? 19.475 -11.523 22.467 1.00 53.08 ? 282 LYS A CE 1 ATOM 1287 N NZ . LYS A 1 166 ? 18.820 -10.492 21.619 1.00 58.34 ? 282 LYS A NZ 1 ATOM 1288 N N . THR A 1 167 ? 17.059 -14.312 27.301 1.00 35.97 ? 283 THR A N 1 ATOM 1289 C CA . THR A 1 167 ? 16.476 -14.664 28.590 1.00 28.34 ? 283 THR A CA 1 ATOM 1290 C C . THR A 1 167 ? 15.009 -14.257 28.668 1.00 31.40 ? 283 THR A C 1 ATOM 1291 O O . THR A 1 167 ? 14.617 -13.196 28.175 1.00 33.67 ? 283 THR A O 1 ATOM 1292 C CB . THR A 1 167 ? 17.251 -14.000 29.751 1.00 31.06 ? 283 THR A CB 1 ATOM 1293 O OG1 . THR A 1 167 ? 18.646 -14.306 29.633 1.00 36.89 ? 283 THR A OG1 1 ATOM 1294 C CG2 . THR A 1 167 ? 16.741 -14.492 31.103 1.00 33.22 ? 283 THR A CG2 1 ATOM 1295 N N . ILE A 1 168 ? 14.201 -15.114 29.280 1.00 26.45 ? 284 ILE A N 1 ATOM 1296 C CA . ILE A 1 168 ? 12.804 -14.803 29.528 1.00 29.10 ? 284 ILE A CA 1 ATOM 1297 C C . ILE A 1 168 ? 12.613 -14.372 30.976 1.00 31.14 ? 284 ILE A C 1 ATOM 1298 O O . ILE A 1 168 ? 13.009 -15.081 31.902 1.00 36.56 ? 284 ILE A O 1 ATOM 1299 C CB . ILE A 1 168 ? 11.899 -16.014 29.257 1.00 30.70 ? 284 ILE A CB 1 ATOM 1300 C CG1 . ILE A 1 168 ? 11.999 -16.441 27.794 1.00 30.03 ? 284 ILE A CG1 1 ATOM 1301 C CG2 . ILE A 1 168 ? 10.455 -15.694 29.623 1.00 36.87 ? 284 ILE A CG2 1 ATOM 1302 C CD1 . ILE A 1 168 ? 11.172 -17.665 27.467 1.00 32.75 ? 284 ILE A CD1 1 ATOM 1303 N N . ILE A 1 169 ? 12.011 -13.205 31.168 1.00 26.24 ? 285 ILE A N 1 ATOM 1304 C CA . ILE A 1 169 ? 11.648 -12.760 32.505 1.00 27.70 ? 285 ILE A CA 1 ATOM 1305 C C . ILE A 1 169 ? 10.155 -12.962 32.730 1.00 30.99 ? 285 ILE A C 1 ATOM 1306 O O . ILE A 1 169 ? 9.328 -12.342 32.060 1.00 32.38 ? 285 ILE A O 1 ATOM 1307 C CB . ILE A 1 169 ? 12.000 -11.280 32.734 1.00 35.24 ? 285 ILE A CB 1 ATOM 1308 C CG1 . ILE A 1 169 ? 13.507 -11.062 32.596 1.00 41.26 ? 285 ILE A CG1 1 ATOM 1309 C CG2 . ILE A 1 169 ? 11.519 -10.827 34.106 1.00 31.96 ? 285 ILE A CG2 1 ATOM 1310 C CD1 . ILE A 1 169 ? 13.932 -9.617 32.775 1.00 34.10 ? 285 ILE A CD1 1 ATOM 1311 N N . VAL A 1 170 ? 9.817 -13.844 33.663 1.00 28.82 ? 286 VAL A N 1 ATOM 1312 C CA . VAL A 1 170 ? 8.429 -14.047 34.056 1.00 25.60 ? 286 VAL A CA 1 ATOM 1313 C C . VAL A 1 170 ? 8.102 -13.141 35.236 1.00 29.58 ? 286 VAL A C 1 ATOM 1314 O O . VAL A 1 170 ? 8.745 -13.219 36.278 1.00 30.12 ? 286 VAL A O 1 ATOM 1315 C CB . VAL A 1 170 ? 8.162 -15.508 34.459 1.00 31.60 ? 286 VAL A CB 1 ATOM 1316 C CG1 . VAL A 1 170 ? 6.738 -15.667 34.969 1.00 33.38 ? 286 VAL A CG1 1 ATOM 1317 C CG2 . VAL A 1 170 ? 8.428 -16.442 33.285 1.00 27.52 ? 286 VAL A CG2 1 ATOM 1318 N N . HIS A 1 171 ? 7.107 -12.277 35.067 1.00 27.95 ? 287 HIS A N 1 ATOM 1319 C CA . HIS A 1 171 ? 6.722 -11.347 36.122 1.00 33.10 ? 287 HIS A CA 1 ATOM 1320 C C . HIS A 1 171 ? 5.453 -11.826 36.825 1.00 30.58 ? 287 HIS A C 1 ATOM 1321 O O . HIS A 1 171 ? 4.361 -11.758 36.265 1.00 37.09 ? 287 HIS A O 1 ATOM 1322 C CB . HIS A 1 171 ? 6.516 -9.946 35.546 1.00 34.15 ? 287 HIS A CB 1 ATOM 1323 C CG . HIS A 1 171 ? 6.512 -8.862 36.577 1.00 32.50 ? 287 HIS A CG 1 ATOM 1324 N ND1 . HIS A 1 171 ? 6.162 -7.561 36.287 1.00 28.40 ? 287 HIS A ND1 1 ATOM 1325 C CD2 . HIS A 1 171 ? 6.823 -8.882 37.895 1.00 27.22 ? 287 HIS A CD2 1 ATOM 1326 C CE1 . HIS A 1 171 ? 6.254 -6.827 37.381 1.00 29.82 ? 287 HIS A CE1 1 ATOM 1327 N NE2 . HIS A 1 171 ? 6.653 -7.604 38.371 1.00 29.07 ? 287 HIS A NE2 1 ATOM 1328 N N . LEU A 1 172 ? 5.607 -12.312 38.053 1.00 26.06 ? 288 LEU A N 1 ATOM 1329 C CA . LEU A 1 172 ? 4.481 -12.847 38.816 1.00 30.76 ? 288 LEU A CA 1 ATOM 1330 C C . LEU A 1 172 ? 3.538 -11.756 39.313 1.00 38.54 ? 288 LEU A C 1 ATOM 1331 O O . LEU A 1 172 ? 3.957 -10.622 39.553 1.00 44.00 ? 288 LEU A O 1 ATOM 1332 C CB . LEU A 1 172 ? 4.987 -13.669 40.005 1.00 27.80 ? 288 LEU A CB 1 ATOM 1333 C CG . LEU A 1 172 ? 5.849 -14.883 39.665 1.00 40.25 ? 288 LEU A CG 1 ATOM 1334 C CD1 . LEU A 1 172 ? 6.293 -15.602 40.932 1.00 34.50 ? 288 LEU A CD1 1 ATOM 1335 C CD2 . LEU A 1 172 ? 5.092 -15.824 38.737 1.00 30.29 ? 288 LEU A CD2 1 ATOM 1336 N N . ASN A 1 173 ? 2.263 -12.105 39.467 1.00 36.76 ? 289 ASN A N 1 ATOM 1337 C CA . ASN A 1 173 ? 1.278 -11.181 40.017 1.00 39.66 ? 289 ASN A CA 1 ATOM 1338 C C . ASN A 1 173 ? 0.876 -11.582 41.433 1.00 44.43 ? 289 ASN A C 1 ATOM 1339 O O . ASN A 1 173 ? 0.036 -10.942 42.063 1.00 44.35 ? 289 ASN A O 1 ATOM 1340 C CB . ASN A 1 173 ? 0.051 -11.066 39.101 1.00 43.80 ? 289 ASN A CB 1 ATOM 1341 C CG . ASN A 1 173 ? -0.725 -12.371 38.978 1.00 46.46 ? 289 ASN A CG 1 ATOM 1342 O OD1 . ASN A 1 173 ? -0.230 -13.442 39.332 1.00 45.32 ? 289 ASN A OD1 1 ATOM 1343 N ND2 . ASN A 1 173 ? -1.950 -12.280 38.464 1.00 52.29 ? 289 ASN A ND2 1 ATOM 1344 N N . LYS A 1 174 ? 1.498 -12.649 41.924 1.00 43.41 ? 290 LYS A N 1 ATOM 1345 C CA . LYS A 1 174 ? 1.231 -13.163 43.260 1.00 44.41 ? 290 LYS A CA 1 ATOM 1346 C C . LYS A 1 174 ? 2.529 -13.658 43.889 1.00 45.31 ? 290 LYS A C 1 ATOM 1347 O O . LYS A 1 174 ? 3.199 -14.536 43.340 1.00 44.64 ? 290 LYS A O 1 ATOM 1348 C CB . LYS A 1 174 ? 0.213 -14.303 43.188 1.00 53.95 ? 290 LYS A CB 1 ATOM 1349 C CG . LYS A 1 174 ? -0.235 -14.841 44.537 1.00 56.50 ? 290 LYS A CG 1 ATOM 1350 C CD . LYS A 1 174 ? -1.107 -13.837 45.270 1.00 75.50 ? 290 LYS A CD 1 ATOM 1351 C CE . LYS A 1 174 ? -1.744 -14.461 46.501 1.00 89.36 ? 290 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 174 ? -2.602 -15.626 46.147 1.00 97.51 ? 290 LYS A NZ 1 ATOM 1353 N N . SER A 1 175 ? 2.886 -13.089 45.037 1.00 46.18 ? 291 SER A N 1 ATOM 1354 C CA . SER A 1 175 ? 4.109 -13.475 45.735 1.00 45.68 ? 291 SER A CA 1 ATOM 1355 C C . SER A 1 175 ? 4.039 -14.894 46.287 1.00 46.40 ? 291 SER A C 1 ATOM 1356 O O . SER A 1 175 ? 3.007 -15.323 46.802 1.00 53.98 ? 291 SER A O 1 ATOM 1357 C CB . SER A 1 175 ? 4.409 -12.502 46.880 1.00 53.88 ? 291 SER A CB 1 ATOM 1358 O OG . SER A 1 175 ? 4.898 -11.266 46.394 1.00 68.60 ? 291 SER A OG 1 ATOM 1359 N N . VAL A 1 176 ? 5.146 -15.619 46.166 1.00 48.13 ? 292 VAL A N 1 ATOM 1360 C CA . VAL A 1 176 ? 5.296 -16.911 46.822 1.00 48.06 ? 292 VAL A CA 1 ATOM 1361 C C . VAL A 1 176 ? 6.522 -16.861 47.723 1.00 42.77 ? 292 VAL A C 1 ATOM 1362 O O . VAL A 1 176 ? 7.641 -16.661 47.251 1.00 38.41 ? 292 VAL A O 1 ATOM 1363 C CB . VAL A 1 176 ? 5.455 -18.056 45.810 1.00 49.52 ? 292 VAL A CB 1 ATOM 1364 C CG1 . VAL A 1 176 ? 5.719 -19.369 46.534 1.00 47.52 ? 292 VAL A CG1 1 ATOM 1365 C CG2 . VAL A 1 176 ? 4.217 -18.164 44.936 1.00 44.29 ? 292 VAL A CG2 1 ATOM 1366 N N . GLU A 1 177 ? 6.308 -17.026 49.023 1.00 44.61 ? 293 GLU A N 1 ATOM 1367 C CA . GLU A 1 177 ? 7.395 -16.920 49.988 1.00 44.29 ? 293 GLU A CA 1 ATOM 1368 C C . GLU A 1 177 ? 8.377 -18.079 49.884 1.00 44.42 ? 293 GLU A C 1 ATOM 1369 O O . GLU A 1 177 ? 7.988 -19.220 49.639 1.00 50.01 ? 293 GLU A O 1 ATOM 1370 C CB . GLU A 1 177 ? 6.848 -16.836 51.416 1.00 38.53 ? 293 GLU A CB 1 ATOM 1371 C CG . GLU A 1 177 ? 6.161 -15.525 51.750 1.00 71.08 ? 293 GLU A CG 1 ATOM 1372 C CD . GLU A 1 177 ? 5.829 -15.408 53.225 1.00 69.91 ? 293 GLU A CD 1 ATOM 1373 O OE1 . GLU A 1 177 ? 6.032 -16.397 53.960 1.00 57.59 ? 293 GLU A OE1 1 ATOM 1374 O OE2 . GLU A 1 177 ? 5.368 -14.328 53.650 1.00 76.24 ? 293 GLU A OE2 1 ATOM 1375 N N . ILE A 1 178 ? 9.656 -17.771 50.071 1.00 40.55 ? 294 ILE A N 1 ATOM 1376 C CA . ILE A 1 178 ? 10.686 -18.796 50.185 1.00 33.86 ? 294 ILE A CA 1 ATOM 1377 C C . ILE A 1 178 ? 11.474 -18.592 51.481 1.00 40.31 ? 294 ILE A C 1 ATOM 1378 O O . ILE A 1 178 ? 12.068 -17.537 51.707 1.00 37.91 ? 294 ILE A O 1 ATOM 1379 C CB . ILE A 1 178 ? 11.609 -18.833 48.944 1.00 37.20 ? 294 ILE A CB 1 ATOM 1380 C CG1 . ILE A 1 178 ? 12.747 -19.837 49.147 1.00 35.26 ? 294 ILE A CG1 1 ATOM 1381 C CG2 . ILE A 1 178 ? 12.148 -17.445 48.615 1.00 40.94 ? 294 ILE A CG2 1 ATOM 1382 C CD1 . ILE A 1 178 ? 13.624 -20.022 47.923 1.00 32.74 ? 294 ILE A CD1 1 ATOM 1383 N N . ASN A 1 179 ? 11.451 -19.607 52.337 1.00 49.55 ? 295 ASN A N 1 ATOM 1384 C CA . ASN A 1 179 ? 12.006 -19.500 53.682 1.00 46.34 ? 295 ASN A CA 1 ATOM 1385 C C . ASN A 1 179 ? 13.328 -20.251 53.808 1.00 50.27 ? 295 ASN A C 1 ATOM 1386 O O . ASN A 1 179 ? 13.347 -21.474 53.942 1.00 47.06 ? 295 ASN A O 1 ATOM 1387 C CB . ASN A 1 179 ? 10.988 -20.028 54.697 1.00 50.34 ? 295 ASN A CB 1 ATOM 1388 C CG . ASN A 1 179 ? 11.331 -19.657 56.127 1.00 55.60 ? 295 ASN A CG 1 ATOM 1389 O OD1 . ASN A 1 179 ? 12.353 -19.024 56.395 1.00 47.01 ? 295 ASN A OD1 1 ATOM 1390 N ND2 . ASN A 1 179 ? 10.460 -20.039 57.055 1.00 73.06 ? 295 ASN A ND2 1 ATOM 1391 N N . CYS A 1 180 ? 14.432 -19.509 53.769 1.00 43.21 ? 296 CYS A N 1 ATOM 1392 C CA . CYS A 1 180 ? 15.764 -20.109 53.754 1.00 39.30 ? 296 CYS A CA 1 ATOM 1393 C C . CYS A 1 180 ? 16.490 -19.966 55.086 1.00 47.01 ? 296 CYS A C 1 ATOM 1394 O O . CYS A 1 180 ? 16.589 -18.869 55.638 1.00 43.29 ? 296 CYS A O 1 ATOM 1395 C CB . CYS A 1 180 ? 16.605 -19.501 52.634 1.00 30.39 ? 296 CYS A CB 1 ATOM 1396 S SG . CYS A 1 180 ? 15.819 -19.606 51.018 1.00 42.91 ? 296 CYS A SG 1 ATOM 1397 N N . THR A 1 181 ? 17.012 -21.079 55.590 1.00 42.94 ? 297 THR A N 1 ATOM 1398 C CA . THR A 1 181 ? 17.637 -21.090 56.904 1.00 45.94 ? 297 THR A CA 1 ATOM 1399 C C . THR A 1 181 ? 18.882 -21.969 56.972 1.00 51.05 ? 297 THR A C 1 ATOM 1400 O O . THR A 1 181 ? 18.867 -23.125 56.547 1.00 48.50 ? 297 THR A O 1 ATOM 1401 C CB . THR A 1 181 ? 16.643 -21.566 57.986 1.00 46.17 ? 297 THR A CB 1 ATOM 1402 O OG1 . THR A 1 181 ? 15.514 -20.684 58.022 1.00 46.79 ? 297 THR A OG1 1 ATOM 1403 C CG2 . THR A 1 181 ? 17.309 -21.595 59.356 1.00 48.49 ? 297 THR A CG2 1 ATOM 1404 N N . ARG A 1 182 ? 19.962 -21.400 57.497 1.00 49.06 ? 298 ARG A N 1 ATOM 1405 C CA . ARG A 1 182 ? 21.088 -22.189 57.971 1.00 37.74 ? 298 ARG A CA 1 ATOM 1406 C C . ARG A 1 182 ? 20.908 -22.298 59.477 1.00 36.55 ? 298 ARG A C 1 ATOM 1407 O O . ARG A 1 182 ? 21.149 -21.332 60.201 1.00 40.10 ? 298 ARG A O 1 ATOM 1408 C CB . ARG A 1 182 ? 22.417 -21.502 57.647 1.00 34.90 ? 298 ARG A CB 1 ATOM 1409 C CG . ARG A 1 182 ? 23.632 -22.437 57.579 1.00 37.09 ? 298 ARG A CG 1 ATOM 1410 C CD . ARG A 1 182 ? 23.977 -23.079 58.924 1.00 36.62 ? 298 ARG A CD 1 ATOM 1411 N NE . ARG A 1 182 ? 24.135 -22.088 59.987 1.00 35.30 ? 298 ARG A NE 1 ATOM 1412 C CZ . ARG A 1 182 ? 25.288 -21.505 60.301 1.00 38.41 ? 298 ARG A CZ 1 ATOM 1413 N NH1 . ARG A 1 182 ? 26.391 -21.810 59.632 1.00 36.01 ? 298 ARG A NH1 1 ATOM 1414 N NH2 . ARG A 1 182 ? 25.339 -20.614 61.283 1.00 34.12 ? 298 ARG A NH2 1 ATOM 1415 N N . PRO A 1 183 ? 20.477 -23.476 59.953 1.00 42.05 ? 299 PRO A N 1 ATOM 1416 C CA . PRO A 1 183 ? 20.196 -23.703 61.376 1.00 48.64 ? 299 PRO A CA 1 ATOM 1417 C C . PRO A 1 183 ? 21.427 -23.500 62.257 1.00 58.89 ? 299 PRO A C 1 ATOM 1418 O O . PRO A 1 183 ? 22.547 -23.774 61.827 1.00 60.53 ? 299 PRO A O 1 ATOM 1419 C CB . PRO A 1 183 ? 19.746 -25.168 61.416 1.00 52.26 ? 299 PRO A CB 1 ATOM 1420 C CG . PRO A 1 183 ? 20.311 -25.780 60.177 1.00 51.40 ? 299 PRO A CG 1 ATOM 1421 C CD . PRO A 1 183 ? 20.273 -24.694 59.151 1.00 45.04 ? 299 PRO A CD 1 ATOM 1422 N N . SER A 1 184 ? 21.211 -23.023 63.478 1.00 72.58 ? 300 SER A N 1 ATOM 1423 C CA . SER A 1 184 ? 22.306 -22.748 64.401 1.00 80.75 ? 300 SER A CA 1 ATOM 1424 C C . SER A 1 184 ? 22.918 -24.031 64.956 1.00 91.16 ? 300 SER A C 1 ATOM 1425 O O . SER A 1 184 ? 24.001 -24.442 64.538 1.00 93.38 ? 300 SER A O 1 ATOM 1426 C CB . SER A 1 184 ? 21.826 -21.857 65.550 1.00 84.00 ? 300 SER A CB 1 ATOM 1427 O OG . SER A 1 184 ? 22.886 -21.567 66.444 1.00 87.62 ? 300 SER A OG 1 ATOM 1428 N N . ASN A 1 185 ? 22.221 -24.656 65.899 1.00 99.72 ? 301 ASN A N 1 ATOM 1429 C CA . ASN A 1 185 ? 22.715 -25.875 66.532 1.00 106.05 ? 301 ASN A CA 1 ATOM 1430 C C . ASN A 1 185 ? 22.694 -27.069 65.584 1.00 107.41 ? 301 ASN A C 1 ATOM 1431 O O . ASN A 1 185 ? 23.706 -27.400 64.965 1.00 106.48 ? 301 ASN A O 1 ATOM 1432 C CB . ASN A 1 185 ? 21.912 -26.189 67.797 1.00 107.33 ? 301 ASN A CB 1 ATOM 1433 C CG . ASN A 1 185 ? 20.455 -26.492 67.503 1.00 103.69 ? 301 ASN A CG 1 ATOM 1434 O OD1 . ASN A 1 185 ? 20.082 -27.641 67.267 1.00 99.77 ? 301 ASN A OD1 1 ATOM 1435 N ND2 . ASN A 1 185 ? 19.622 -25.458 67.517 1.00 103.61 ? 301 ASN A ND2 1 ATOM 1436 N N . GLY A 1 192 ? 26.152 -30.010 62.468 1.00 107.02 ? 324 GLY A N 1 ATOM 1437 C CA . GLY A 1 192 ? 27.246 -30.830 61.985 1.00 106.57 ? 324 GLY A CA 1 ATOM 1438 C C . GLY A 1 192 ? 27.918 -30.240 60.760 1.00 98.47 ? 324 GLY A C 1 ATOM 1439 O O . GLY A 1 192 ? 29.135 -30.328 60.604 1.00 101.12 ? 324 GLY A O 1 ATOM 1440 N N . ASP A 1 193 ? 27.117 -29.638 59.886 1.00 85.14 ? 325 ASP A N 1 ATOM 1441 C CA . ASP A 1 193 ? 27.630 -29.016 58.673 1.00 64.91 ? 325 ASP A CA 1 ATOM 1442 C C . ASP A 1 193 ? 27.249 -27.539 58.663 1.00 49.54 ? 325 ASP A C 1 ATOM 1443 O O . ASP A 1 193 ? 26.096 -27.188 58.412 1.00 53.55 ? 325 ASP A O 1 ATOM 1444 C CB . ASP A 1 193 ? 27.066 -29.721 57.437 1.00 63.93 ? 325 ASP A CB 1 ATOM 1445 C CG . ASP A 1 193 ? 27.849 -29.412 56.171 1.00 63.72 ? 325 ASP A CG 1 ATOM 1446 O OD1 . ASP A 1 193 ? 28.550 -28.378 56.129 1.00 48.27 ? 325 ASP A OD1 1 ATOM 1447 O OD2 . ASP A 1 193 ? 27.758 -30.208 55.213 1.00 65.31 ? 325 ASP A OD2 1 ATOM 1448 N N . ILE A 1 194 ? 28.224 -26.677 58.935 1.00 42.80 ? 326 ILE A N 1 ATOM 1449 C CA . ILE A 1 194 ? 27.971 -25.244 59.066 1.00 42.85 ? 326 ILE A CA 1 ATOM 1450 C C . ILE A 1 194 ? 27.559 -24.588 57.750 1.00 53.16 ? 326 ILE A C 1 ATOM 1451 O O . ILE A 1 194 ? 27.048 -23.468 57.740 1.00 51.64 ? 326 ILE A O 1 ATOM 1452 C CB . ILE A 1 194 ? 29.199 -24.502 59.634 1.00 44.30 ? 326 ILE A CB 1 ATOM 1453 C CG1 . ILE A 1 194 ? 30.350 -24.521 58.626 1.00 47.05 ? 326 ILE A CG1 1 ATOM 1454 C CG2 . ILE A 1 194 ? 29.631 -25.114 60.957 1.00 47.28 ? 326 ILE A CG2 1 ATOM 1455 C CD1 . ILE A 1 194 ? 31.567 -23.741 59.079 1.00 50.03 ? 326 ILE A CD1 1 ATOM 1456 N N . ARG A 1 195 ? 27.783 -25.287 56.641 1.00 53.83 ? 327 ARG A N 1 ATOM 1457 C CA . ARG A 1 195 ? 27.431 -24.757 55.330 1.00 47.50 ? 327 ARG A CA 1 ATOM 1458 C C . ARG A 1 195 ? 26.134 -25.357 54.803 1.00 48.52 ? 327 ARG A C 1 ATOM 1459 O O . ARG A 1 195 ? 25.622 -24.928 53.773 1.00 47.62 ? 327 ARG A O 1 ATOM 1460 C CB . ARG A 1 195 ? 28.567 -24.984 54.331 1.00 35.33 ? 327 ARG A CB 1 ATOM 1461 C CG . ARG A 1 195 ? 29.809 -24.171 54.637 1.00 36.13 ? 327 ARG A CG 1 ATOM 1462 C CD . ARG A 1 195 ? 30.992 -24.600 53.788 1.00 35.25 ? 327 ARG A CD 1 ATOM 1463 N NE . ARG A 1 195 ? 32.216 -23.926 54.211 1.00 44.88 ? 327 ARG A NE 1 ATOM 1464 C CZ . ARG A 1 195 ? 32.975 -24.329 55.226 1.00 44.00 ? 327 ARG A CZ 1 ATOM 1465 N NH1 . ARG A 1 195 ? 32.638 -25.409 55.920 1.00 35.10 ? 327 ARG A NH1 1 ATOM 1466 N NH2 . ARG A 1 195 ? 34.072 -23.657 55.546 1.00 46.74 ? 327 ARG A NH2 1 ATOM 1467 N N . LYS A 1 196 ? 25.603 -26.349 55.511 1.00 45.78 ? 328 LYS A N 1 ATOM 1468 C CA . LYS A 1 196 ? 24.344 -26.965 55.115 1.00 47.38 ? 328 LYS A CA 1 ATOM 1469 C C . LYS A 1 196 ? 23.172 -26.052 55.460 1.00 44.90 ? 328 LYS A C 1 ATOM 1470 O O . LYS A 1 196 ? 23.094 -25.512 56.562 1.00 34.99 ? 328 LYS A O 1 ATOM 1471 C CB . LYS A 1 196 ? 24.171 -28.327 55.786 1.00 61.09 ? 328 LYS A CB 1 ATOM 1472 C CG . LYS A 1 196 ? 22.920 -29.075 55.353 1.00 67.46 ? 328 LYS A CG 1 ATOM 1473 C CD . LYS A 1 196 ? 22.830 -30.440 56.017 1.00 70.12 ? 328 LYS A CD 1 ATOM 1474 C CE . LYS A 1 196 ? 21.568 -31.175 55.597 1.00 72.53 ? 328 LYS A CE 1 ATOM 1475 N NZ . LYS A 1 196 ? 21.458 -32.507 56.253 1.00 81.81 ? 328 LYS A NZ 1 ATOM 1476 N N . ALA A 1 197 ? 22.265 -25.879 54.506 1.00 41.91 ? 329 ALA A N 1 ATOM 1477 C CA . ALA A 1 197 ? 21.089 -25.044 54.709 1.00 41.86 ? 329 ALA A CA 1 ATOM 1478 C C . ALA A 1 197 ? 19.930 -25.566 53.874 1.00 42.87 ? 329 ALA A C 1 ATOM 1479 O O . ALA A 1 197 ? 20.072 -26.551 53.151 1.00 44.73 ? 329 ALA A O 1 ATOM 1480 C CB . ALA A 1 197 ? 21.393 -23.596 54.354 1.00 34.94 ? 329 ALA A CB 1 ATOM 1481 N N . TYR A 1 198 ? 18.784 -24.904 53.976 1.00 40.64 ? 330 TYR A N 1 ATOM 1482 C CA . TYR A 1 198 ? 17.605 -25.322 53.229 1.00 43.89 ? 330 TYR A CA 1 ATOM 1483 C C . TYR A 1 198 ? 16.614 -24.185 53.007 1.00 42.25 ? 330 TYR A C 1 ATOM 1484 O O . TYR A 1 198 ? 16.601 -23.204 53.752 1.00 43.33 ? 330 TYR A O 1 ATOM 1485 C CB . TYR A 1 198 ? 16.913 -26.502 53.920 1.00 43.48 ? 330 TYR A CB 1 ATOM 1486 C CG . TYR A 1 198 ? 16.643 -26.292 55.393 1.00 53.50 ? 330 TYR A CG 1 ATOM 1487 C CD1 . TYR A 1 198 ? 15.453 -25.722 55.828 1.00 60.70 ? 330 TYR A CD1 1 ATOM 1488 C CD2 . TYR A 1 198 ? 17.576 -26.670 56.350 1.00 58.36 ? 330 TYR A CD2 1 ATOM 1489 C CE1 . TYR A 1 198 ? 15.201 -25.531 57.174 1.00 58.01 ? 330 TYR A CE1 1 ATOM 1490 C CE2 . TYR A 1 198 ? 17.334 -26.483 57.698 1.00 59.04 ? 330 TYR A CE2 1 ATOM 1491 C CZ . TYR A 1 198 ? 16.145 -25.913 58.105 1.00 59.97 ? 330 TYR A CZ 1 ATOM 1492 O OH . TYR A 1 198 ? 15.901 -25.727 59.447 1.00 60.55 ? 330 TYR A OH 1 ATOM 1493 N N . CYS A 1 199 ? 15.792 -24.327 51.972 1.00 39.21 ? 331 CYS A N 1 ATOM 1494 C CA . CYS A 1 199 ? 14.738 -23.365 51.681 1.00 43.46 ? 331 CYS A CA 1 ATOM 1495 C C . CYS A 1 199 ? 13.381 -24.052 51.637 1.00 41.43 ? 331 CYS A C 1 ATOM 1496 O O . CYS A 1 199 ? 13.189 -25.018 50.897 1.00 39.59 ? 331 CYS A O 1 ATOM 1497 C CB . CYS A 1 199 ? 15.003 -22.655 50.353 1.00 37.18 ? 331 CYS A CB 1 ATOM 1498 S SG . CYS A 1 199 ? 16.355 -21.468 50.409 1.00 42.82 ? 331 CYS A SG 1 ATOM 1499 N N . GLU A 1 200 ? 12.442 -23.551 52.432 1.00 35.74 ? 332 GLU A N 1 ATOM 1500 C CA . GLU A 1 200 ? 11.099 -24.114 52.472 1.00 42.45 ? 332 GLU A CA 1 ATOM 1501 C C . GLU A 1 200 ? 10.122 -23.273 51.660 1.00 44.91 ? 332 GLU A C 1 ATOM 1502 O O . GLU A 1 200 ? 10.126 -22.044 51.739 1.00 45.62 ? 332 GLU A O 1 ATOM 1503 C CB . GLU A 1 200 ? 10.614 -24.255 53.916 1.00 45.30 ? 332 GLU A CB 1 ATOM 1504 C CG . GLU A 1 200 ? 11.415 -25.253 54.733 1.00 53.80 ? 332 GLU A CG 1 ATOM 1505 C CD . GLU A 1 200 ? 10.925 -25.361 56.162 1.00 67.06 ? 332 GLU A CD 1 ATOM 1506 O OE1 . GLU A 1 200 ? 10.164 -24.472 56.598 1.00 77.52 ? 332 GLU A OE1 1 ATOM 1507 O OE2 . GLU A 1 200 ? 11.299 -26.336 56.846 1.00 63.41 ? 332 GLU A OE2 1 ATOM 1508 N N . ILE A 1 201 ? 9.295 -23.950 50.869 1.00 52.69 ? 333 ILE A N 1 ATOM 1509 C CA . ILE A 1 201 ? 8.302 -23.295 50.027 1.00 44.12 ? 333 ILE A CA 1 ATOM 1510 C C . ILE A 1 201 ? 7.007 -24.099 50.057 1.00 49.66 ? 333 ILE A C 1 ATOM 1511 O O . ILE A 1 201 ? 7.032 -25.323 49.929 1.00 54.02 ? 333 ILE A O 1 ATOM 1512 C CB . ILE A 1 201 ? 8.787 -23.194 48.563 1.00 46.28 ? 333 ILE A CB 1 ATOM 1513 C CG1 . ILE A 1 201 ? 10.099 -22.409 48.480 1.00 45.27 ? 333 ILE A CG1 1 ATOM 1514 C CG2 . ILE A 1 201 ? 7.726 -22.545 47.685 1.00 42.56 ? 333 ILE A CG2 1 ATOM 1515 C CD1 . ILE A 1 201 ? 10.710 -22.388 47.106 1.00 46.74 ? 333 ILE A CD1 1 ATOM 1516 N N . ASN A 1 202 ? 5.868 -23.418 50.211 1.00 48.72 ? 334 ASN A N 1 ATOM 1517 C CA . ASN A 1 202 ? 4.574 -24.073 50.227 1.00 45.66 ? 334 ASN A CA 1 ATOM 1518 C C . ASN A 1 202 ? 4.214 -24.617 48.842 1.00 57.31 ? 334 ASN A C 1 ATOM 1519 O O . ASN A 1 202 ? 3.881 -23.854 47.937 1.00 45.66 ? 334 ASN A O 1 ATOM 1520 C CB . ASN A 1 202 ? 3.519 -23.086 50.709 1.00 61.55 ? 334 ASN A CB 1 ATOM 1521 C CG . ASN A 1 202 ? 2.155 -23.702 50.803 1.00 83.75 ? 334 ASN A CG 1 ATOM 1522 O OD1 . ASN A 1 202 ? 1.764 -24.498 49.949 1.00 73.28 ? 334 ASN A OD1 1 ATOM 1523 N ND2 . ASN A 1 202 ? 1.418 -23.342 51.842 1.00 120.27 ? 334 ASN A ND2 1 ATOM 1524 N N . GLY A 1 203 ? 4.231 -25.953 48.678 1.00 49.66 ? 335 GLY A N 1 ATOM 1525 C CA . GLY A 1 203 ? 4.018 -26.598 47.396 1.00 51.33 ? 335 GLY A CA 1 ATOM 1526 C C . GLY A 1 203 ? 2.695 -26.251 46.743 1.00 56.52 ? 335 GLY A C 1 ATOM 1527 O O . GLY A 1 203 ? 2.600 -26.193 45.517 1.00 60.00 ? 335 GLY A O 1 ATOM 1528 N N . THR A 1 204 ? 1.672 -26.024 47.561 1.00 54.86 ? 336 THR A N 1 ATOM 1529 C CA . THR A 1 204 ? 0.349 -25.678 47.055 1.00 52.04 ? 336 THR A CA 1 ATOM 1530 C C . THR A 1 204 ? 0.381 -24.355 46.297 1.00 57.10 ? 336 THR A C 1 ATOM 1531 O O . THR A 1 204 ? -0.100 -24.266 45.168 1.00 56.63 ? 336 THR A O 1 ATOM 1532 C CB . THR A 1 204 ? -0.687 -25.585 48.191 1.00 63.39 ? 336 THR A CB 1 ATOM 1533 O OG1 . THR A 1 204 ? -0.735 -26.828 48.902 1.00 63.63 ? 336 THR A OG1 1 ATOM 1534 C CG2 . THR A 1 204 ? -2.066 -25.274 47.629 1.00 58.72 ? 336 THR A CG2 1 ATOM 1535 N N . LYS A 1 205 ? 0.954 -23.332 46.925 1.00 56.74 ? 337 LYS A N 1 ATOM 1536 C CA . LYS A 1 205 ? 1.091 -22.021 46.298 1.00 58.39 ? 337 LYS A CA 1 ATOM 1537 C C . LYS A 1 205 ? 1.955 -22.081 45.044 1.00 50.53 ? 337 LYS A C 1 ATOM 1538 O O . LYS A 1 205 ? 1.567 -21.580 43.990 1.00 51.57 ? 337 LYS A O 1 ATOM 1539 C CB . LYS A 1 205 ? 1.698 -21.013 47.278 1.00 50.43 ? 337 LYS A CB 1 ATOM 1540 C CG . LYS A 1 205 ? 0.720 -20.416 48.269 1.00 60.79 ? 337 LYS A CG 1 ATOM 1541 C CD . LYS A 1 205 ? 1.401 -19.352 49.119 1.00 79.35 ? 337 LYS A CD 1 ATOM 1542 C CE . LYS A 1 205 ? 0.422 -18.674 50.064 1.00 90.59 ? 337 LYS A CE 1 ATOM 1543 N NZ . LYS A 1 205 ? -0.150 -19.622 51.058 1.00 93.89 ? 337 LYS A NZ 1 ATOM 1544 N N . TRP A 1 206 ? 3.128 -22.695 45.171 1.00 48.80 ? 338 TRP A N 1 ATOM 1545 C CA . TRP A 1 206 ? 4.101 -22.738 44.086 1.00 40.92 ? 338 TRP A CA 1 ATOM 1546 C C . TRP A 1 206 ? 3.570 -23.439 42.838 1.00 43.93 ? 338 TRP A C 1 ATOM 1547 O O . TRP A 1 206 ? 3.666 -22.905 41.734 1.00 42.71 ? 338 TRP A O 1 ATOM 1548 C CB . TRP A 1 206 ? 5.397 -23.404 44.551 1.00 38.52 ? 338 TRP A CB 1 ATOM 1549 C CG . TRP A 1 206 ? 6.386 -23.610 43.446 1.00 37.99 ? 338 TRP A CG 1 ATOM 1550 C CD1 . TRP A 1 206 ? 6.723 -24.795 42.858 1.00 43.16 ? 338 TRP A CD1 1 ATOM 1551 C CD2 . TRP A 1 206 ? 7.157 -22.599 42.784 1.00 39.36 ? 338 TRP A CD2 1 ATOM 1552 N NE1 . TRP A 1 206 ? 7.662 -24.585 41.876 1.00 39.82 ? 338 TRP A NE1 1 ATOM 1553 C CE2 . TRP A 1 206 ? 7.946 -23.247 41.811 1.00 45.70 ? 338 TRP A CE2 1 ATOM 1554 C CE3 . TRP A 1 206 ? 7.259 -21.211 42.922 1.00 39.57 ? 338 TRP A CE3 1 ATOM 1555 C CZ2 . TRP A 1 206 ? 8.826 -22.553 40.981 1.00 42.17 ? 338 TRP A CZ2 1 ATOM 1556 C CZ3 . TRP A 1 206 ? 8.134 -20.525 42.096 1.00 40.01 ? 338 TRP A CZ3 1 ATOM 1557 C CH2 . TRP A 1 206 ? 8.905 -21.197 41.139 1.00 41.71 ? 338 TRP A CH2 1 ATOM 1558 N N . ASN A 1 207 ? 3.011 -24.632 43.019 1.00 46.04 ? 339 ASN A N 1 ATOM 1559 C CA . ASN A 1 207 ? 2.472 -25.397 41.901 1.00 46.68 ? 339 ASN A CA 1 ATOM 1560 C C . ASN A 1 207 ? 1.288 -24.698 41.242 1.00 47.20 ? 339 ASN A C 1 ATOM 1561 O O . ASN A 1 207 ? 1.080 -24.814 40.034 1.00 43.19 ? 339 ASN A O 1 ATOM 1562 C CB . ASN A 1 207 ? 2.078 -26.806 42.349 1.00 43.25 ? 339 ASN A CB 1 ATOM 1563 C CG . ASN A 1 207 ? 3.275 -27.647 42.742 1.00 58.31 ? 339 ASN A CG 1 ATOM 1564 O OD1 . ASN A 1 207 ? 4.347 -27.538 42.147 1.00 60.97 ? 339 ASN A OD1 1 ATOM 1565 N ND2 . ASN A 1 207 ? 3.100 -28.492 43.753 1.00 65.10 ? 339 ASN A ND2 1 ATOM 1566 N N . LYS A 1 208 ? 0.519 -23.972 42.045 1.00 42.11 ? 340 LYS A N 1 ATOM 1567 C CA . LYS A 1 208 ? -0.612 -23.210 41.534 1.00 48.12 ? 340 LYS A CA 1 ATOM 1568 C C . LYS A 1 208 ? -0.118 -22.067 40.654 1.00 49.22 ? 340 LYS A C 1 ATOM 1569 O O . LYS A 1 208 ? -0.663 -21.813 39.581 1.00 48.20 ? 340 LYS A O 1 ATOM 1570 C CB . LYS A 1 208 ? -1.447 -22.660 42.691 1.00 56.74 ? 340 LYS A CB 1 ATOM 1571 C CG . LYS A 1 208 ? -2.645 -21.831 42.261 1.00 64.03 ? 340 LYS A CG 1 ATOM 1572 C CD . LYS A 1 208 ? -3.313 -21.181 43.462 1.00 78.78 ? 340 LYS A CD 1 ATOM 1573 C CE . LYS A 1 208 ? -4.500 -20.333 43.046 1.00 86.36 ? 340 LYS A CE 1 ATOM 1574 N NZ . LYS A 1 208 ? -5.574 -21.152 42.421 1.00 92.76 ? 340 LYS A NZ 1 ATOM 1575 N N . VAL A 1 209 ? 0.926 -21.387 41.117 1.00 42.87 ? 341 VAL A N 1 ATOM 1576 C CA . VAL A 1 209 ? 1.508 -20.275 40.377 1.00 49.18 ? 341 VAL A CA 1 ATOM 1577 C C . VAL A 1 209 ? 2.228 -20.753 39.116 1.00 40.14 ? 341 VAL A C 1 ATOM 1578 O O . VAL A 1 209 ? 2.071 -20.169 38.042 1.00 36.60 ? 341 VAL A O 1 ATOM 1579 C CB . VAL A 1 209 ? 2.476 -19.466 41.265 1.00 46.66 ? 341 VAL A CB 1 ATOM 1580 C CG1 . VAL A 1 209 ? 3.249 -18.456 40.436 1.00 36.20 ? 341 VAL A CG1 1 ATOM 1581 C CG2 . VAL A 1 209 ? 1.705 -18.771 42.379 1.00 37.75 ? 341 VAL A CG2 1 ATOM 1582 N N . LEU A 1 210 ? 3.003 -21.825 39.247 1.00 36.30 ? 342 LEU A N 1 ATOM 1583 C CA . LEU A 1 210 ? 3.747 -22.375 38.118 1.00 44.45 ? 342 LEU A CA 1 ATOM 1584 C C . LEU A 1 210 ? 2.806 -22.861 37.014 1.00 45.05 ? 342 LEU A C 1 ATOM 1585 O O . LEU A 1 210 ? 3.145 -22.816 35.831 1.00 38.59 ? 342 LEU A O 1 ATOM 1586 C CB . LEU A 1 210 ? 4.661 -23.512 38.576 1.00 44.51 ? 342 LEU A CB 1 ATOM 1587 C CG . LEU A 1 210 ? 5.785 -23.880 37.608 1.00 46.38 ? 342 LEU A CG 1 ATOM 1588 C CD1 . LEU A 1 210 ? 6.693 -22.683 37.384 1.00 40.00 ? 342 LEU A CD1 1 ATOM 1589 C CD2 . LEU A 1 210 ? 6.580 -25.073 38.119 1.00 44.11 ? 342 LEU A CD2 1 ATOM 1590 N N . LYS A 1 211 ? 1.623 -23.321 37.409 1.00 42.08 ? 343 LYS A N 1 ATOM 1591 C CA . LYS A 1 211 ? 0.604 -23.733 36.453 1.00 47.03 ? 343 LYS A CA 1 ATOM 1592 C C . LYS A 1 211 ? 0.041 -22.515 35.722 1.00 53.04 ? 343 LYS A C 1 ATOM 1593 O O . LYS A 1 211 ? -0.248 -22.576 34.527 1.00 55.86 ? 343 LYS A O 1 ATOM 1594 C CB . LYS A 1 211 ? -0.513 -24.508 37.158 1.00 51.28 ? 343 LYS A CB 1 ATOM 1595 C CG . LYS A 1 211 ? -1.496 -25.200 36.219 1.00 71.99 ? 343 LYS A CG 1 ATOM 1596 C CD . LYS A 1 211 ? -2.750 -24.365 35.994 1.00 91.59 ? 343 LYS A CD 1 ATOM 1597 C CE . LYS A 1 211 ? -3.730 -25.076 35.073 1.00 99.94 ? 343 LYS A CE 1 ATOM 1598 N NZ . LYS A 1 211 ? -4.986 -24.297 34.888 1.00 103.06 ? 343 LYS A NZ 1 ATOM 1599 N N . GLN A 1 212 ? -0.117 -21.411 36.449 1.00 49.10 ? 344 GLN A N 1 ATOM 1600 C CA . GLN A 1 212 ? -0.568 -20.159 35.853 1.00 45.74 ? 344 GLN A CA 1 ATOM 1601 C C . GLN A 1 212 ? 0.462 -19.621 34.861 1.00 46.24 ? 344 GLN A C 1 ATOM 1602 O O . GLN A 1 212 ? 0.105 -19.083 33.813 1.00 39.92 ? 344 GLN A O 1 ATOM 1603 C CB . GLN A 1 212 ? -0.855 -19.115 36.933 1.00 47.46 ? 344 GLN A CB 1 ATOM 1604 C CG . GLN A 1 212 ? -2.153 -19.342 37.702 1.00 43.52 ? 344 GLN A CG 1 ATOM 1605 C CD . GLN A 1 212 ? -2.342 -18.345 38.830 1.00 45.37 ? 344 GLN A CD 1 ATOM 1606 O OE1 . GLN A 1 212 ? -1.381 -17.741 39.306 1.00 54.19 ? 344 GLN A OE1 1 ATOM 1607 N NE2 . GLN A 1 212 ? -3.585 -18.166 39.261 1.00 43.07 ? 344 GLN A NE2 1 ATOM 1608 N N . VAL A 1 213 ? 1.740 -19.769 35.201 1.00 29.54 ? 345 VAL A N 1 ATOM 1609 C CA . VAL A 1 213 ? 2.824 -19.370 34.309 1.00 32.25 ? 345 VAL A CA 1 ATOM 1610 C C . VAL A 1 213 ? 2.809 -20.237 33.053 1.00 33.87 ? 345 VAL A C 1 ATOM 1611 O O . VAL A 1 213 ? 3.039 -19.752 31.944 1.00 38.45 ? 345 VAL A O 1 ATOM 1612 C CB . VAL A 1 213 ? 4.201 -19.486 34.999 1.00 28.92 ? 345 VAL A CB 1 ATOM 1613 C CG1 . VAL A 1 213 ? 5.320 -19.121 34.036 1.00 25.09 ? 345 VAL A CG1 1 ATOM 1614 C CG2 . VAL A 1 213 ? 4.252 -18.602 36.238 1.00 31.12 ? 345 VAL A CG2 1 ATOM 1615 N N . THR A 1 214 ? 2.523 -21.522 33.241 1.00 37.63 ? 346 THR A N 1 ATOM 1616 C CA . THR A 1 214 ? 2.423 -22.470 32.136 1.00 38.83 ? 346 THR A CA 1 ATOM 1617 C C . THR A 1 214 ? 1.357 -22.045 31.130 1.00 41.49 ? 346 THR A C 1 ATOM 1618 O O . THR A 1 214 ? 1.597 -22.039 29.922 1.00 42.03 ? 346 THR A O 1 ATOM 1619 C CB . THR A 1 214 ? 2.102 -23.889 32.646 1.00 50.00 ? 346 THR A CB 1 ATOM 1620 O OG1 . THR A 1 214 ? 3.212 -24.388 33.403 1.00 59.31 ? 346 THR A OG1 1 ATOM 1621 C CG2 . THR A 1 214 ? 1.827 -24.830 31.485 1.00 65.53 ? 346 THR A CG2 1 ATOM 1622 N N . GLU A 1 215 ? 0.182 -21.686 31.636 1.00 39.95 ? 347 GLU A N 1 ATOM 1623 C CA . GLU A 1 215 ? -0.919 -21.254 30.782 1.00 37.46 ? 347 GLU A CA 1 ATOM 1624 C C . GLU A 1 215 ? -0.599 -19.951 30.057 1.00 42.77 ? 347 GLU A C 1 ATOM 1625 O O . GLU A 1 215 ? -1.006 -19.752 28.912 1.00 52.08 ? 347 GLU A O 1 ATOM 1626 C CB . GLU A 1 215 ? -2.207 -21.106 31.596 1.00 39.46 ? 347 GLU A CB 1 ATOM 1627 C CG . GLU A 1 215 ? -2.780 -22.428 32.090 1.00 54.91 ? 347 GLU A CG 1 ATOM 1628 C CD . GLU A 1 215 ? -3.231 -23.327 30.952 1.00 70.07 ? 347 GLU A CD 1 ATOM 1629 O OE1 . GLU A 1 215 ? -3.713 -22.800 29.928 1.00 76.28 ? 347 GLU A OE1 1 ATOM 1630 O OE2 . GLU A 1 215 ? -3.099 -24.562 31.081 1.00 77.63 ? 347 GLU A OE2 1 ATOM 1631 N N . LYS A 1 216 ? 0.135 -19.067 30.724 1.00 35.99 ? 348 LYS A N 1 ATOM 1632 C CA . LYS A 1 216 ? 0.511 -17.790 30.129 1.00 41.73 ? 348 LYS A CA 1 ATOM 1633 C C . LYS A 1 216 ? 1.548 -17.986 29.026 1.00 35.01 ? 348 LYS A C 1 ATOM 1634 O O . LYS A 1 216 ? 1.508 -17.310 27.999 1.00 38.26 ? 348 LYS A O 1 ATOM 1635 C CB . LYS A 1 216 ? 1.031 -16.827 31.198 1.00 38.31 ? 348 LYS A CB 1 ATOM 1636 C CG . LYS A 1 216 ? 1.514 -15.491 30.655 1.00 41.73 ? 348 LYS A CG 1 ATOM 1637 C CD . LYS A 1 216 ? 0.426 -14.763 29.879 1.00 34.80 ? 348 LYS A CD 1 ATOM 1638 C CE . LYS A 1 216 ? -0.730 -14.362 30.779 1.00 34.67 ? 348 LYS A CE 1 ATOM 1639 N NZ . LYS A 1 216 ? -1.698 -13.487 30.065 1.00 37.80 ? 348 LYS A NZ 1 ATOM 1640 N N . LEU A 1 217 ? 2.472 -18.917 29.244 1.00 31.76 ? 349 LEU A N 1 ATOM 1641 C CA . LEU A 1 217 ? 3.472 -19.250 28.235 1.00 31.55 ? 349 LEU A CA 1 ATOM 1642 C C . LEU A 1 217 ? 2.834 -19.859 26.986 1.00 30.55 ? 349 LEU A C 1 ATOM 1643 O O . LEU A 1 217 ? 3.314 -19.646 25.874 1.00 40.40 ? 349 LEU A O 1 ATOM 1644 C CB . LEU A 1 217 ? 4.531 -20.193 28.814 1.00 26.66 ? 349 LEU A CB 1 ATOM 1645 C CG . LEU A 1 217 ? 5.566 -19.547 29.739 1.00 35.46 ? 349 LEU A CG 1 ATOM 1646 C CD1 . LEU A 1 217 ? 6.406 -20.598 30.446 1.00 26.41 ? 349 LEU A CD1 1 ATOM 1647 C CD2 . LEU A 1 217 ? 6.457 -18.590 28.956 1.00 30.83 ? 349 LEU A CD2 1 ATOM 1648 N N . LYS A 1 218 ? 1.752 -20.611 27.177 1.00 40.17 ? 350 LYS A N 1 ATOM 1649 C CA . LYS A 1 218 ? 1.018 -21.207 26.062 1.00 32.38 ? 350 LYS A CA 1 ATOM 1650 C C . LYS A 1 218 ? 0.461 -20.141 25.125 1.00 37.29 ? 350 LYS A C 1 ATOM 1651 O O . LYS A 1 218 ? 0.392 -20.343 23.914 1.00 36.17 ? 350 LYS A O 1 ATOM 1652 C CB . LYS A 1 218 ? -0.124 -22.094 26.569 1.00 32.01 ? 350 LYS A CB 1 ATOM 1653 C CG . LYS A 1 218 ? 0.330 -23.390 27.216 1.00 39.33 ? 350 LYS A CG 1 ATOM 1654 C CD . LYS A 1 218 ? -0.844 -24.147 27.814 1.00 46.55 ? 350 LYS A CD 1 ATOM 1655 C CE . LYS A 1 218 ? -1.757 -24.709 26.739 1.00 50.92 ? 350 LYS A CE 1 ATOM 1656 N NZ . LYS A 1 218 ? -1.128 -25.851 26.017 1.00 63.08 ? 350 LYS A NZ 1 ATOM 1657 N N . GLU A 1 219 ? 0.061 -19.008 25.696 1.00 37.90 ? 351 GLU A N 1 ATOM 1658 C CA . GLU A 1 219 ? -0.471 -17.899 24.912 1.00 45.89 ? 351 GLU A CA 1 ATOM 1659 C C . GLU A 1 219 ? 0.599 -17.294 24.004 1.00 40.88 ? 351 GLU A C 1 ATOM 1660 O O . GLU A 1 219 ? 0.290 -16.753 22.942 1.00 40.42 ? 351 GLU A O 1 ATOM 1661 C CB . GLU A 1 219 ? -1.053 -16.820 25.831 1.00 40.27 ? 351 GLU A CB 1 ATOM 1662 C CG . GLU A 1 219 ? -2.246 -17.283 26.656 1.00 43.89 ? 351 GLU A CG 1 ATOM 1663 C CD . GLU A 1 219 ? -2.805 -16.190 27.552 1.00 51.58 ? 351 GLU A CD 1 ATOM 1664 O OE1 . GLU A 1 219 ? -2.254 -15.069 27.548 1.00 49.35 ? 351 GLU A OE1 1 ATOM 1665 O OE2 . GLU A 1 219 ? -3.799 -16.453 28.263 1.00 59.79 ? 351 GLU A OE2 1 ATOM 1666 N N . HIS A 1 220 ? 1.856 -17.394 24.426 1.00 32.88 ? 352 HIS A N 1 ATOM 1667 C CA . HIS A 1 220 ? 2.964 -16.829 23.663 1.00 32.34 ? 352 HIS A CA 1 ATOM 1668 C C . HIS A 1 220 ? 3.620 -17.852 22.740 1.00 39.08 ? 352 HIS A C 1 ATOM 1669 O O . HIS A 1 220 ? 4.418 -17.491 21.875 1.00 44.42 ? 352 HIS A O 1 ATOM 1670 C CB . HIS A 1 220 ? 4.014 -16.227 24.601 1.00 35.55 ? 352 HIS A CB 1 ATOM 1671 C CG . HIS A 1 220 ? 3.559 -14.986 25.302 1.00 40.90 ? 352 HIS A CG 1 ATOM 1672 N ND1 . HIS A 1 220 ? 2.843 -15.015 26.479 1.00 40.66 ? 352 HIS A ND1 1 ATOM 1673 C CD2 . HIS A 1 220 ? 3.712 -13.678 24.986 1.00 35.92 ? 352 HIS A CD2 1 ATOM 1674 C CE1 . HIS A 1 220 ? 2.579 -13.778 26.861 1.00 43.40 ? 352 HIS A CE1 1 ATOM 1675 N NE2 . HIS A 1 220 ? 3.095 -12.948 25.973 1.00 39.09 ? 352 HIS A NE2 1 ATOM 1676 N N . PHE A 1 221 ? 3.282 -19.124 22.923 1.00 41.04 ? 353 PHE A N 1 ATOM 1677 C CA . PHE A 1 221 ? 3.884 -20.184 22.120 1.00 29.32 ? 353 PHE A CA 1 ATOM 1678 C C . PHE A 1 221 ? 2.858 -21.061 21.412 1.00 27.62 ? 353 PHE A C 1 ATOM 1679 O O . PHE A 1 221 ? 3.016 -22.280 21.347 1.00 29.62 ? 353 PHE A O 1 ATOM 1680 C CB . PHE A 1 221 ? 4.827 -21.038 22.973 1.00 34.04 ? 353 PHE A CB 1 ATOM 1681 C CG . PHE A 1 221 ? 6.108 -20.343 23.334 1.00 38.30 ? 353 PHE A CG 1 ATOM 1682 C CD1 . PHE A 1 221 ? 7.200 -20.394 22.482 1.00 33.31 ? 353 PHE A CD1 1 ATOM 1683 C CD2 . PHE A 1 221 ? 6.215 -19.626 24.514 1.00 32.67 ? 353 PHE A CD2 1 ATOM 1684 C CE1 . PHE A 1 221 ? 8.379 -19.748 22.807 1.00 34.72 ? 353 PHE A CE1 1 ATOM 1685 C CE2 . PHE A 1 221 ? 7.391 -18.981 24.844 1.00 33.13 ? 353 PHE A CE2 1 ATOM 1686 C CZ . PHE A 1 221 ? 8.475 -19.042 23.989 1.00 30.32 ? 353 PHE A CZ 1 ATOM 1687 N N . ASN A 1 222 ? 1.812 -20.429 20.889 1.00 30.78 ? 354 ASN A N 1 ATOM 1688 C CA . ASN A 1 222 ? 0.836 -21.096 20.029 1.00 32.90 ? 354 ASN A CA 1 ATOM 1689 C C . ASN A 1 222 ? 0.209 -22.355 20.635 1.00 34.26 ? 354 ASN A C 1 ATOM 1690 O O . ASN A 1 222 ? -0.020 -23.341 19.933 1.00 32.19 ? 354 ASN A O 1 ATOM 1691 C CB . ASN A 1 222 ? 1.469 -21.427 18.673 1.00 29.95 ? 354 ASN A CB 1 ATOM 1692 C CG . ASN A 1 222 ? 0.468 -21.377 17.538 1.00 31.06 ? 354 ASN A CG 1 ATOM 1693 O OD1 . ASN A 1 222 ? -0.483 -20.597 17.571 1.00 36.57 ? 354 ASN A OD1 1 ATOM 1694 N ND2 . ASN A 1 222 ? 0.673 -22.214 16.527 1.00 32.37 ? 354 ASN A ND2 1 ATOM 1695 N N . ASN A 1 223 ? -0.056 -22.311 21.939 1.00 30.53 ? 355 ASN A N 1 ATOM 1696 C CA . ASN A 1 223 ? -0.683 -23.425 22.656 1.00 32.18 ? 355 ASN A CA 1 ATOM 1697 C C . ASN A 1 223 ? 0.115 -24.728 22.655 1.00 33.04 ? 355 ASN A C 1 ATOM 1698 O O . ASN A 1 223 ? -0.457 -25.810 22.781 1.00 35.08 ? 355 ASN A O 1 ATOM 1699 C CB . ASN A 1 223 ? -2.112 -23.674 22.153 1.00 34.04 ? 355 ASN A CB 1 ATOM 1700 C CG . ASN A 1 223 ? -3.154 -22.968 22.994 1.00 52.92 ? 355 ASN A CG 1 ATOM 1701 O OD1 . ASN A 1 223 ? -2.818 -22.133 23.837 1.00 42.79 ? 355 ASN A OD1 1 ATOM 1702 N ND2 . ASN A 1 223 ? -4.425 -23.314 22.785 1.00 75.60 ? 355 ASN A ND2 1 ATOM 1703 N N . LYS A 1 224 ? 1.433 -24.626 22.515 1.00 31.85 ? 357 LYS A N 1 ATOM 1704 C CA . LYS A 1 224 ? 2.287 -25.805 22.621 1.00 40.98 ? 357 LYS A CA 1 ATOM 1705 C C . LYS A 1 224 ? 2.369 -26.262 24.073 1.00 33.11 ? 357 LYS A C 1 ATOM 1706 O O . LYS A 1 224 ? 2.055 -25.503 24.991 1.00 32.07 ? 357 LYS A O 1 ATOM 1707 C CB . LYS A 1 224 ? 3.687 -25.525 22.065 1.00 33.88 ? 357 LYS A CB 1 ATOM 1708 C CG . LYS A 1 224 ? 3.722 -25.305 20.557 1.00 40.21 ? 357 LYS A CG 1 ATOM 1709 C CD . LYS A 1 224 ? 5.146 -25.131 20.044 1.00 35.29 ? 357 LYS A CD 1 ATOM 1710 C CE . LYS A 1 224 ? 5.971 -26.390 20.269 1.00 43.64 ? 357 LYS A CE 1 ATOM 1711 N NZ . LYS A 1 224 ? 7.339 -26.280 19.687 1.00 42.83 ? 357 LYS A NZ 1 ATOM 1712 N N . THR A 1 225 ? 2.785 -27.507 24.277 1.00 34.78 ? 358 THR A N 1 ATOM 1713 C CA . THR A 1 225 ? 2.895 -28.064 25.618 1.00 35.43 ? 358 THR A CA 1 ATOM 1714 C C . THR A 1 225 ? 4.130 -27.520 26.331 1.00 39.99 ? 358 THR A C 1 ATOM 1715 O O . THR A 1 225 ? 5.251 -27.661 25.845 1.00 36.76 ? 358 THR A O 1 ATOM 1716 C CB . THR A 1 225 ? 2.950 -29.600 25.581 1.00 38.29 ? 358 THR A CB 1 ATOM 1717 O OG1 . THR A 1 225 ? 1.743 -30.105 24.998 1.00 41.83 ? 358 THR A OG1 1 ATOM 1718 C CG2 . THR A 1 225 ? 3.106 -30.168 26.984 1.00 39.27 ? 358 THR A CG2 1 ATOM 1719 N N . ILE A 1 226 ? 3.914 -26.895 27.485 1.00 43.54 ? 359 ILE A N 1 ATOM 1720 C CA . ILE A 1 226 ? 4.999 -26.273 28.236 1.00 32.70 ? 359 ILE A CA 1 ATOM 1721 C C . ILE A 1 226 ? 5.576 -27.224 29.277 1.00 38.96 ? 359 ILE A C 1 ATOM 1722 O O . ILE A 1 226 ? 4.860 -27.710 30.154 1.00 39.17 ? 359 ILE A O 1 ATOM 1723 C CB . ILE A 1 226 ? 4.528 -24.990 28.939 1.00 34.58 ? 359 ILE A CB 1 ATOM 1724 C CG1 . ILE A 1 226 ? 3.823 -24.067 27.943 1.00 30.96 ? 359 ILE A CG1 1 ATOM 1725 C CG2 . ILE A 1 226 ? 5.703 -24.288 29.610 1.00 29.18 ? 359 ILE A CG2 1 ATOM 1726 C CD1 . ILE A 1 226 ? 4.682 -23.659 26.767 1.00 27.57 ? 359 ILE A CD1 1 ATOM 1727 N N . ILE A 1 227 ? 6.875 -27.485 29.176 1.00 38.45 ? 360 ILE A N 1 ATOM 1728 C CA . ILE A 1 227 ? 7.549 -28.400 30.089 1.00 39.51 ? 360 ILE A CA 1 ATOM 1729 C C . ILE A 1 227 ? 8.682 -27.699 30.836 1.00 47.98 ? 360 ILE A C 1 ATOM 1730 O O . ILE A 1 227 ? 9.500 -27.008 30.230 1.00 40.57 ? 360 ILE A O 1 ATOM 1731 C CB . ILE A 1 227 ? 8.115 -29.622 29.334 1.00 46.05 ? 360 ILE A CB 1 ATOM 1732 C CG1 . ILE A 1 227 ? 6.985 -30.390 28.644 1.00 45.00 ? 360 ILE A CG1 1 ATOM 1733 C CG2 . ILE A 1 227 ? 8.881 -30.536 30.278 1.00 51.87 ? 360 ILE A CG2 1 ATOM 1734 C CD1 . ILE A 1 227 ? 7.454 -31.602 27.876 1.00 54.35 ? 360 ILE A CD1 1 ATOM 1735 N N . PHE A 1 228 ? 8.718 -27.871 32.154 1.00 44.64 ? 361 PHE A N 1 ATOM 1736 C CA . PHE A 1 228 ? 9.809 -27.340 32.964 1.00 41.05 ? 361 PHE A CA 1 ATOM 1737 C C . PHE A 1 228 ? 10.831 -28.428 33.274 1.00 42.73 ? 361 PHE A C 1 ATOM 1738 O O . PHE A 1 228 ? 10.471 -29.554 33.608 1.00 53.39 ? 361 PHE A O 1 ATOM 1739 C CB . PHE A 1 228 ? 9.283 -26.737 34.267 1.00 38.41 ? 361 PHE A CB 1 ATOM 1740 C CG . PHE A 1 228 ? 8.530 -25.451 34.081 1.00 40.28 ? 361 PHE A CG 1 ATOM 1741 C CD1 . PHE A 1 228 ? 9.209 -24.260 33.876 1.00 45.60 ? 361 PHE A CD1 1 ATOM 1742 C CD2 . PHE A 1 228 ? 7.146 -25.430 34.120 1.00 37.35 ? 361 PHE A CD2 1 ATOM 1743 C CE1 . PHE A 1 228 ? 8.520 -23.072 33.706 1.00 38.65 ? 361 PHE A CE1 1 ATOM 1744 C CE2 . PHE A 1 228 ? 6.453 -24.246 33.950 1.00 44.73 ? 361 PHE A CE2 1 ATOM 1745 C CZ . PHE A 1 228 ? 7.141 -23.065 33.742 1.00 41.30 ? 361 PHE A CZ 1 ATOM 1746 N N . GLN A 1 229 ? 12.107 -28.083 33.158 1.00 52.67 ? 362 GLN A N 1 ATOM 1747 C CA . GLN A 1 229 ? 13.181 -29.007 33.491 1.00 48.82 ? 362 GLN A CA 1 ATOM 1748 C C . GLN A 1 229 ? 14.299 -28.272 34.219 1.00 53.91 ? 362 GLN A C 1 ATOM 1749 O O . GLN A 1 229 ? 14.503 -27.076 34.001 1.00 47.11 ? 362 GLN A O 1 ATOM 1750 C CB . GLN A 1 229 ? 13.724 -29.682 32.227 1.00 43.09 ? 362 GLN A CB 1 ATOM 1751 C CG . GLN A 1 229 ? 12.845 -30.801 31.687 1.00 47.39 ? 362 GLN A CG 1 ATOM 1752 C CD . GLN A 1 229 ? 12.739 -31.973 32.645 1.00 60.52 ? 362 GLN A CD 1 ATOM 1753 O OE1 . GLN A 1 229 ? 11.757 -32.106 33.375 1.00 62.85 ? 362 GLN A OE1 1 ATOM 1754 N NE2 . GLN A 1 229 ? 13.752 -32.832 32.646 1.00 64.98 ? 362 GLN A NE2 1 ATOM 1755 N N . PRO A 1 230 ? 15.018 -28.982 35.101 1.00 49.65 ? 363 PRO A N 1 ATOM 1756 C CA . PRO A 1 230 ? 16.188 -28.393 35.758 1.00 41.07 ? 363 PRO A CA 1 ATOM 1757 C C . PRO A 1 230 ? 17.290 -28.125 34.740 1.00 44.21 ? 363 PRO A C 1 ATOM 1758 O O . PRO A 1 230 ? 17.334 -28.807 33.715 1.00 51.16 ? 363 PRO A O 1 ATOM 1759 C CB . PRO A 1 230 ? 16.621 -29.483 36.746 1.00 39.11 ? 363 PRO A CB 1 ATOM 1760 C CG . PRO A 1 230 ? 16.054 -30.748 36.194 1.00 51.05 ? 363 PRO A CG 1 ATOM 1761 C CD . PRO A 1 230 ? 14.757 -30.356 35.562 1.00 51.01 ? 363 PRO A CD 1 ATOM 1762 N N . PRO A 1 231 ? 18.158 -27.135 35.011 1.00 38.88 ? 364 PRO A N 1 ATOM 1763 C CA . PRO A 1 231 ? 19.263 -26.776 34.114 1.00 46.66 ? 364 PRO A CA 1 ATOM 1764 C C . PRO A 1 231 ? 20.127 -27.983 33.763 1.00 57.93 ? 364 PRO A C 1 ATOM 1765 O O . PRO A 1 231 ? 20.401 -28.815 34.629 1.00 59.25 ? 364 PRO A O 1 ATOM 1766 C CB . PRO A 1 231 ? 20.069 -25.773 34.942 1.00 42.55 ? 364 PRO A CB 1 ATOM 1767 C CG . PRO A 1 231 ? 19.068 -25.159 35.856 1.00 40.31 ? 364 PRO A CG 1 ATOM 1768 C CD . PRO A 1 231 ? 18.106 -26.261 36.197 1.00 31.28 ? 364 PRO A CD 1 ATOM 1769 N N . SER A 1 232 ? 20.541 -28.074 32.503 1.00 74.13 ? 365 SER A N 1 ATOM 1770 C CA . SER A 1 232 ? 21.323 -29.211 32.029 1.00 86.58 ? 365 SER A CA 1 ATOM 1771 C C . SER A 1 232 ? 22.757 -29.171 32.547 1.00 88.95 ? 365 SER A C 1 ATOM 1772 O O . SER A 1 232 ? 23.253 -30.151 33.103 1.00 91.60 ? 365 SER A O 1 ATOM 1773 C CB . SER A 1 232 ? 21.316 -29.263 30.499 1.00 90.01 ? 365 SER A CB 1 ATOM 1774 O OG . SER A 1 232 ? 21.791 -28.047 29.948 1.00 90.41 ? 365 SER A OG 1 ATOM 1775 N N . GLY A 1 233 ? 23.417 -28.034 32.361 1.00 85.23 ? 366 GLY A N 1 ATOM 1776 C CA . GLY A 1 233 ? 24.787 -27.864 32.809 1.00 77.38 ? 366 GLY A CA 1 ATOM 1777 C C . GLY A 1 233 ? 25.133 -26.407 33.039 1.00 64.34 ? 366 GLY A C 1 ATOM 1778 O O . GLY A 1 233 ? 24.265 -25.538 32.984 1.00 56.35 ? 366 GLY A O 1 ATOM 1779 N N . GLY A 1 234 ? 26.409 -26.140 33.297 1.00 65.35 ? 367 GLY A N 1 ATOM 1780 C CA . GLY A 1 234 ? 26.866 -24.785 33.545 1.00 68.05 ? 367 GLY A CA 1 ATOM 1781 C C . GLY A 1 234 ? 27.391 -24.607 34.955 1.00 67.72 ? 367 GLY A C 1 ATOM 1782 O O . GLY A 1 234 ? 27.485 -25.570 35.716 1.00 80.18 ? 367 GLY A O 1 ATOM 1783 N N . ASP A 1 235 ? 27.735 -23.372 35.304 1.00 57.49 ? 368 ASP A N 1 ATOM 1784 C CA . ASP A 1 235 ? 28.261 -23.071 36.630 1.00 53.17 ? 368 ASP A CA 1 ATOM 1785 C C . ASP A 1 235 ? 27.164 -23.130 37.690 1.00 48.51 ? 368 ASP A C 1 ATOM 1786 O O . ASP A 1 235 ? 25.977 -23.029 37.375 1.00 45.45 ? 368 ASP A O 1 ATOM 1787 C CB . ASP A 1 235 ? 28.940 -21.701 36.638 1.00 66.31 ? 368 ASP A CB 1 ATOM 1788 C CG . ASP A 1 235 ? 30.102 -21.623 35.666 1.00 74.24 ? 368 ASP A CG 1 ATOM 1789 O OD1 . ASP A 1 235 ? 30.728 -22.672 35.401 1.00 73.25 ? 368 ASP A OD1 1 ATOM 1790 O OD2 . ASP A 1 235 ? 30.390 -20.516 35.166 1.00 78.10 ? 368 ASP A OD2 1 ATOM 1791 N N . LEU A 1 236 ? 27.572 -23.288 38.946 1.00 41.80 ? 369 LEU A N 1 ATOM 1792 C CA . LEU A 1 236 ? 26.636 -23.454 40.056 1.00 41.01 ? 369 LEU A CA 1 ATOM 1793 C C . LEU A 1 236 ? 25.711 -22.255 40.236 1.00 39.68 ? 369 LEU A C 1 ATOM 1794 O O . LEU A 1 236 ? 24.598 -22.394 40.744 1.00 42.19 ? 369 LEU A O 1 ATOM 1795 C CB . LEU A 1 236 ? 27.391 -23.723 41.361 1.00 32.60 ? 369 LEU A CB 1 ATOM 1796 C CG . LEU A 1 236 ? 28.169 -25.037 41.441 1.00 48.37 ? 369 LEU A CG 1 ATOM 1797 C CD1 . LEU A 1 236 ? 28.861 -25.164 42.790 1.00 49.54 ? 369 LEU A CD1 1 ATOM 1798 C CD2 . LEU A 1 236 ? 27.249 -26.223 41.191 1.00 40.10 ? 369 LEU A CD2 1 ATOM 1799 N N . GLU A 1 237 ? 26.174 -21.082 39.819 1.00 44.49 ? 370 GLU A N 1 ATOM 1800 C CA . GLU A 1 237 ? 25.378 -19.865 39.944 1.00 43.57 ? 370 GLU A CA 1 ATOM 1801 C C . GLU A 1 237 ? 24.145 -19.909 39.047 1.00 42.08 ? 370 GLU A C 1 ATOM 1802 O O . GLU A 1 237 ? 23.166 -19.213 39.297 1.00 51.09 ? 370 GLU A O 1 ATOM 1803 C CB . GLU A 1 237 ? 26.219 -18.623 39.625 1.00 45.29 ? 370 GLU A CB 1 ATOM 1804 C CG . GLU A 1 237 ? 27.319 -18.316 40.639 1.00 51.53 ? 370 GLU A CG 1 ATOM 1805 C CD . GLU A 1 237 ? 28.546 -19.196 40.468 1.00 50.87 ? 370 GLU A CD 1 ATOM 1806 O OE1 . GLU A 1 237 ? 28.640 -19.897 39.439 1.00 50.46 ? 370 GLU A OE1 1 ATOM 1807 O OE2 . GLU A 1 237 ? 29.418 -19.184 41.364 1.00 42.75 ? 370 GLU A OE2 1 ATOM 1808 N N . ILE A 1 238 ? 24.193 -20.739 38.009 1.00 40.84 ? 371 ILE A N 1 ATOM 1809 C CA . ILE A 1 238 ? 23.101 -20.821 37.044 1.00 43.64 ? 371 ILE A CA 1 ATOM 1810 C C . ILE A 1 238 ? 22.249 -22.071 37.251 1.00 38.34 ? 371 ILE A C 1 ATOM 1811 O O . ILE A 1 238 ? 21.022 -22.018 37.157 1.00 40.31 ? 371 ILE A O 1 ATOM 1812 C CB . ILE A 1 238 ? 23.633 -20.821 35.600 1.00 62.80 ? 371 ILE A CB 1 ATOM 1813 C CG1 . ILE A 1 238 ? 24.715 -19.755 35.432 1.00 65.43 ? 371 ILE A CG1 1 ATOM 1814 C CG2 . ILE A 1 238 ? 22.496 -20.608 34.610 1.00 72.92 ? 371 ILE A CG2 1 ATOM 1815 C CD1 . ILE A 1 238 ? 24.250 -18.355 35.755 1.00 68.57 ? 371 ILE A CD1 1 ATOM 1816 N N . THR A 1 239 ? 22.907 -23.192 37.529 1.00 32.59 ? 372 THR A N 1 ATOM 1817 C CA . THR A 1 239 ? 22.212 -24.459 37.729 1.00 38.61 ? 372 THR A CA 1 ATOM 1818 C C . THR A 1 239 ? 21.455 -24.465 39.051 1.00 41.21 ? 372 THR A C 1 ATOM 1819 O O . THR A 1 239 ? 20.516 -25.239 39.237 1.00 43.30 ? 372 THR A O 1 ATOM 1820 C CB . THR A 1 239 ? 23.188 -25.648 37.701 1.00 33.09 ? 372 THR A CB 1 ATOM 1821 O OG1 . THR A 1 239 ? 24.168 -25.489 38.734 1.00 48.38 ? 372 THR A OG1 1 ATOM 1822 C CG2 . THR A 1 239 ? 23.887 -25.727 36.351 1.00 35.30 ? 372 THR A CG2 1 ATOM 1823 N N . MET A 1 240 ? 21.864 -23.593 39.965 1.00 35.51 ? 373 MET A N 1 ATOM 1824 C CA . MET A 1 240 ? 21.206 -23.481 41.258 1.00 32.52 ? 373 MET A CA 1 ATOM 1825 C C . MET A 1 240 ? 20.698 -22.064 41.486 1.00 31.79 ? 373 MET A C 1 ATOM 1826 O O . MET A 1 240 ? 21.199 -21.110 40.890 1.00 29.39 ? 373 MET A O 1 ATOM 1827 C CB . MET A 1 240 ? 22.167 -23.871 42.382 1.00 34.22 ? 373 MET A CB 1 ATOM 1828 C CG . MET A 1 240 ? 22.764 -25.259 42.232 1.00 41.81 ? 373 MET A CG 1 ATOM 1829 S SD . MET A 1 240 ? 23.893 -25.672 43.574 1.00 50.10 ? 373 MET A SD 1 ATOM 1830 C CE . MET A 1 240 ? 22.740 -26.013 44.899 1.00 63.10 ? 373 MET A CE 1 ATOM 1831 N N . HIS A 1 241 ? 19.694 -21.935 42.345 1.00 27.45 ? 374 HIS A N 1 ATOM 1832 C CA . HIS A 1 241 ? 19.205 -20.628 42.755 1.00 21.32 ? 374 HIS A CA 1 ATOM 1833 C C . HIS A 1 241 ? 20.207 -20.009 43.718 1.00 29.05 ? 374 HIS A C 1 ATOM 1834 O O . HIS A 1 241 ? 20.296 -20.412 44.879 1.00 35.26 ? 374 HIS A O 1 ATOM 1835 C CB . HIS A 1 241 ? 17.837 -20.760 43.421 1.00 23.00 ? 374 HIS A CB 1 ATOM 1836 C CG . HIS A 1 241 ? 17.354 -19.504 44.081 1.00 26.14 ? 374 HIS A CG 1 ATOM 1837 N ND1 . HIS A 1 241 ? 17.411 -18.270 43.469 1.00 30.53 ? 374 HIS A ND1 1 ATOM 1838 C CD2 . HIS A 1 241 ? 16.793 -19.295 45.295 1.00 31.58 ? 374 HIS A CD2 1 ATOM 1839 C CE1 . HIS A 1 241 ? 16.911 -17.355 44.281 1.00 29.01 ? 374 HIS A CE1 1 ATOM 1840 N NE2 . HIS A 1 241 ? 16.528 -17.951 45.394 1.00 33.49 ? 374 HIS A NE2 1 ATOM 1841 N N . SER A 1 242 ? 20.975 -19.043 43.227 1.00 29.42 ? 375 SER A N 1 ATOM 1842 C CA . SER A 1 242 ? 21.970 -18.379 44.057 1.00 34.05 ? 375 SER A CA 1 ATOM 1843 C C . SER A 1 242 ? 21.485 -17.004 44.496 1.00 33.40 ? 375 SER A C 1 ATOM 1844 O O . SER A 1 242 ? 20.854 -16.280 43.726 1.00 33.99 ? 375 SER A O 1 ATOM 1845 C CB . SER A 1 242 ? 23.306 -18.264 43.321 1.00 33.42 ? 375 SER A CB 1 ATOM 1846 O OG . SER A 1 242 ? 23.193 -17.427 42.185 1.00 49.41 ? 375 SER A OG 1 ATOM 1847 N N . PHE A 1 243 ? 21.783 -16.656 45.742 1.00 33.38 ? 376 PHE A N 1 ATOM 1848 C CA . PHE A 1 243 ? 21.399 -15.366 46.302 1.00 25.04 ? 376 PHE A CA 1 ATOM 1849 C C . PHE A 1 243 ? 22.235 -15.072 47.542 1.00 32.10 ? 376 PHE A C 1 ATOM 1850 O O . PHE A 1 243 ? 22.946 -15.945 48.040 1.00 30.68 ? 376 PHE A O 1 ATOM 1851 C CB . PHE A 1 243 ? 19.905 -15.341 46.640 1.00 27.78 ? 376 PHE A CB 1 ATOM 1852 C CG . PHE A 1 243 ? 19.488 -16.374 47.652 1.00 36.22 ? 376 PHE A CG 1 ATOM 1853 C CD1 . PHE A 1 243 ? 19.254 -17.686 47.269 1.00 31.87 ? 376 PHE A CD1 1 ATOM 1854 C CD2 . PHE A 1 243 ? 19.316 -16.030 48.984 1.00 38.92 ? 376 PHE A CD2 1 ATOM 1855 C CE1 . PHE A 1 243 ? 18.869 -18.637 48.196 1.00 40.87 ? 376 PHE A CE1 1 ATOM 1856 C CE2 . PHE A 1 243 ? 18.929 -16.978 49.916 1.00 45.97 ? 376 PHE A CE2 1 ATOM 1857 C CZ . PHE A 1 243 ? 18.705 -18.283 49.521 1.00 44.16 ? 376 PHE A CZ 1 ATOM 1858 N N . ASN A 1 244 ? 22.155 -13.840 48.032 1.00 37.48 ? 377 ASN A N 1 ATOM 1859 C CA . ASN A 1 244 ? 22.893 -13.452 49.225 1.00 38.97 ? 377 ASN A CA 1 ATOM 1860 C C . ASN A 1 244 ? 21.964 -13.164 50.398 1.00 40.91 ? 377 ASN A C 1 ATOM 1861 O O . ASN A 1 244 ? 21.078 -12.313 50.308 1.00 28.84 ? 377 ASN A O 1 ATOM 1862 C CB . ASN A 1 244 ? 23.780 -12.237 48.945 1.00 41.94 ? 377 ASN A CB 1 ATOM 1863 C CG . ASN A 1 244 ? 24.771 -11.969 50.062 1.00 49.04 ? 377 ASN A CG 1 ATOM 1864 O OD1 . ASN A 1 244 ? 24.395 -11.538 51.151 1.00 43.50 ? 377 ASN A OD1 1 ATOM 1865 N ND2 . ASN A 1 244 ? 26.048 -12.220 49.794 1.00 41.54 ? 377 ASN A ND2 1 ATOM 1866 N N . CYS A 1 245 ? 22.174 -13.882 51.497 1.00 37.26 ? 378 CYS A N 1 ATOM 1867 C CA . CYS A 1 245 ? 21.384 -13.693 52.707 1.00 37.33 ? 378 CYS A CA 1 ATOM 1868 C C . CYS A 1 245 ? 22.287 -13.343 53.887 1.00 38.02 ? 378 CYS A C 1 ATOM 1869 O O . CYS A 1 245 ? 23.128 -14.147 54.290 1.00 33.84 ? 378 CYS A O 1 ATOM 1870 C CB . CYS A 1 245 ? 20.575 -14.956 53.015 1.00 40.00 ? 378 CYS A CB 1 ATOM 1871 S SG . CYS A 1 245 ? 19.776 -14.965 54.639 1.00 45.37 ? 378 CYS A SG 1 ATOM 1872 N N . ARG A 1 246 ? 22.108 -12.136 54.422 1.00 43.28 ? 379 ARG A N 1 ATOM 1873 C CA . ARG A 1 246 ? 22.890 -11.644 55.559 1.00 48.68 ? 379 ARG A CA 1 ATOM 1874 C C . ARG A 1 246 ? 24.397 -11.642 55.298 1.00 48.09 ? 379 ARG A C 1 ATOM 1875 O O . ARG A 1 246 ? 25.191 -11.862 56.213 1.00 46.03 ? 379 ARG A O 1 ATOM 1876 C CB . ARG A 1 246 ? 22.587 -12.452 56.824 1.00 46.75 ? 379 ARG A CB 1 ATOM 1877 C CG . ARG A 1 246 ? 21.141 -12.388 57.290 1.00 50.83 ? 379 ARG A CG 1 ATOM 1878 C CD . ARG A 1 246 ? 20.968 -13.159 58.589 1.00 61.52 ? 379 ARG A CD 1 ATOM 1879 N NE . ARG A 1 246 ? 19.576 -13.221 59.024 1.00 70.78 ? 379 ARG A NE 1 ATOM 1880 C CZ . ARG A 1 246 ? 19.165 -13.869 60.108 1.00 75.29 ? 379 ARG A CZ 1 ATOM 1881 N NH1 . ARG A 1 246 ? 20.039 -14.514 60.869 1.00 73.85 ? 379 ARG A NH1 1 ATOM 1882 N NH2 . ARG A 1 246 ? 17.879 -13.876 60.433 1.00 81.89 ? 379 ARG A NH2 1 ATOM 1883 N N . GLY A 1 247 ? 24.786 -11.391 54.052 1.00 48.06 ? 380 GLY A N 1 ATOM 1884 C CA . GLY A 1 247 ? 26.191 -11.382 53.685 1.00 43.52 ? 380 GLY A CA 1 ATOM 1885 C C . GLY A 1 247 ? 26.672 -12.736 53.201 1.00 39.99 ? 380 GLY A C 1 ATOM 1886 O O . GLY A 1 247 ? 27.755 -12.853 52.629 1.00 45.20 ? 380 GLY A O 1 ATOM 1887 N N . GLU A 1 248 ? 25.861 -13.765 53.427 1.00 34.12 ? 381 GLU A N 1 ATOM 1888 C CA . GLU A 1 248 ? 26.234 -15.129 53.075 1.00 33.44 ? 381 GLU A CA 1 ATOM 1889 C C . GLU A 1 248 ? 25.658 -15.533 51.721 1.00 43.15 ? 381 GLU A C 1 ATOM 1890 O O . GLU A 1 248 ? 24.492 -15.266 51.430 1.00 41.07 ? 381 GLU A O 1 ATOM 1891 C CB . GLU A 1 248 ? 25.755 -16.102 54.158 1.00 29.73 ? 381 GLU A CB 1 ATOM 1892 C CG . GLU A 1 248 ? 26.104 -15.678 55.581 1.00 33.17 ? 381 GLU A CG 1 ATOM 1893 C CD . GLU A 1 248 ? 27.591 -15.776 55.880 1.00 43.56 ? 381 GLU A CD 1 ATOM 1894 O OE1 . GLU A 1 248 ? 28.307 -16.472 55.130 1.00 52.29 ? 381 GLU A OE1 1 ATOM 1895 O OE2 . GLU A 1 248 ? 28.041 -15.157 56.867 1.00 44.14 ? 381 GLU A OE2 1 ATOM 1896 N N . PHE A 1 249 ? 26.479 -16.181 50.901 1.00 35.97 ? 382 PHE A N 1 ATOM 1897 C CA . PHE A 1 249 ? 26.045 -16.636 49.583 1.00 39.13 ? 382 PHE A CA 1 ATOM 1898 C C . PHE A 1 249 ? 25.409 -18.022 49.648 1.00 35.01 ? 382 PHE A C 1 ATOM 1899 O O . PHE A 1 249 ? 26.071 -19.000 49.991 1.00 34.72 ? 382 PHE A O 1 ATOM 1900 C CB . PHE A 1 249 ? 27.220 -16.639 48.602 1.00 33.72 ? 382 PHE A CB 1 ATOM 1901 C CG . PHE A 1 249 ? 27.759 -15.270 48.297 1.00 38.82 ? 382 PHE A CG 1 ATOM 1902 C CD1 . PHE A 1 249 ? 28.741 -14.703 49.093 1.00 35.16 ? 382 PHE A CD1 1 ATOM 1903 C CD2 . PHE A 1 249 ? 27.283 -14.548 47.214 1.00 43.25 ? 382 PHE A CD2 1 ATOM 1904 C CE1 . PHE A 1 249 ? 29.239 -13.442 48.816 1.00 41.19 ? 382 PHE A CE1 1 ATOM 1905 C CE2 . PHE A 1 249 ? 27.777 -13.288 46.928 1.00 35.41 ? 382 PHE A CE2 1 ATOM 1906 C CZ . PHE A 1 249 ? 28.756 -12.734 47.731 1.00 41.03 ? 382 PHE A CZ 1 ATOM 1907 N N . PHE A 1 250 ? 24.124 -18.095 49.315 1.00 37.08 ? 383 PHE A N 1 ATOM 1908 C CA . PHE A 1 250 ? 23.381 -19.351 49.349 1.00 35.83 ? 383 PHE A CA 1 ATOM 1909 C C . PHE A 1 250 ? 23.192 -19.932 47.950 1.00 33.75 ? 383 PHE A C 1 ATOM 1910 O O . PHE A 1 250 ? 22.827 -19.216 47.018 1.00 33.52 ? 383 PHE A O 1 ATOM 1911 C CB . PHE A 1 250 ? 22.006 -19.136 49.987 1.00 35.27 ? 383 PHE A CB 1 ATOM 1912 C CG . PHE A 1 250 ? 22.032 -19.031 51.487 1.00 46.05 ? 383 PHE A CG 1 ATOM 1913 C CD1 . PHE A 1 250 ? 22.609 -17.938 52.113 1.00 49.50 ? 383 PHE A CD1 1 ATOM 1914 C CD2 . PHE A 1 250 ? 21.452 -20.015 52.271 1.00 48.20 ? 383 PHE A CD2 1 ATOM 1915 C CE1 . PHE A 1 250 ? 22.624 -17.838 53.493 1.00 46.63 ? 383 PHE A CE1 1 ATOM 1916 C CE2 . PHE A 1 250 ? 21.461 -19.921 53.652 1.00 50.11 ? 383 PHE A CE2 1 ATOM 1917 C CZ . PHE A 1 250 ? 22.048 -18.831 54.263 1.00 48.04 ? 383 PHE A CZ 1 ATOM 1918 N N . TYR A 1 251 ? 23.432 -21.231 47.811 1.00 30.86 ? 384 TYR A N 1 ATOM 1919 C CA . TYR A 1 251 ? 23.191 -21.937 46.555 1.00 28.34 ? 384 TYR A CA 1 ATOM 1920 C C . TYR A 1 251 ? 22.187 -23.056 46.792 1.00 36.22 ? 384 TYR A C 1 ATOM 1921 O O . TYR A 1 251 ? 22.477 -24.009 47.516 1.00 41.26 ? 384 TYR A O 1 ATOM 1922 C CB . TYR A 1 251 ? 24.493 -22.524 46.001 1.00 30.13 ? 384 TYR A CB 1 ATOM 1923 C CG . TYR A 1 251 ? 25.452 -21.505 45.428 1.00 39.01 ? 384 TYR A CG 1 ATOM 1924 C CD1 . TYR A 1 251 ? 26.083 -20.576 46.248 1.00 40.26 ? 384 TYR A CD1 1 ATOM 1925 C CD2 . TYR A 1 251 ? 25.742 -21.484 44.069 1.00 41.37 ? 384 TYR A CD2 1 ATOM 1926 C CE1 . TYR A 1 251 ? 26.964 -19.647 45.728 1.00 41.87 ? 384 TYR A CE1 1 ATOM 1927 C CE2 . TYR A 1 251 ? 26.624 -20.560 43.541 1.00 37.88 ? 384 TYR A CE2 1 ATOM 1928 C CZ . TYR A 1 251 ? 27.231 -19.644 44.374 1.00 41.97 ? 384 TYR A CZ 1 ATOM 1929 O OH . TYR A 1 251 ? 28.108 -18.723 43.851 1.00 49.26 ? 384 TYR A OH 1 ATOM 1930 N N . CYS A 1 252 ? 21.013 -22.946 46.179 1.00 36.98 ? 385 CYS A N 1 ATOM 1931 C CA . CYS A 1 252 ? 19.936 -23.901 46.433 1.00 35.33 ? 385 CYS A CA 1 ATOM 1932 C C . CYS A 1 252 ? 19.542 -24.726 45.209 1.00 35.94 ? 385 CYS A C 1 ATOM 1933 O O . CYS A 1 252 ? 19.475 -24.217 44.091 1.00 39.02 ? 385 CYS A O 1 ATOM 1934 C CB . CYS A 1 252 ? 18.712 -23.177 47.000 1.00 33.52 ? 385 CYS A CB 1 ATOM 1935 S SG . CYS A 1 252 ? 19.063 -22.245 48.508 1.00 45.72 ? 385 CYS A SG 1 ATOM 1936 N N . ASN A 1 253 ? 19.281 -26.008 45.442 1.00 32.53 ? 386 ASN A N 1 ATOM 1937 C CA . ASN A 1 253 ? 18.851 -26.928 44.398 1.00 37.31 ? 386 ASN A CA 1 ATOM 1938 C C . ASN A 1 253 ? 17.353 -26.775 44.150 1.00 41.52 ? 386 ASN A C 1 ATOM 1939 O O . ASN A 1 253 ? 16.543 -27.066 45.027 1.00 38.80 ? 386 ASN A O 1 ATOM 1940 C CB . ASN A 1 253 ? 19.180 -28.365 44.815 1.00 38.28 ? 386 ASN A CB 1 ATOM 1941 C CG . ASN A 1 253 ? 19.104 -29.350 43.663 1.00 51.36 ? 386 ASN A CG 1 ATOM 1942 O OD1 . ASN A 1 253 ? 18.203 -29.283 42.828 1.00 45.76 ? 386 ASN A OD1 1 ATOM 1943 N ND2 . ASN A 1 253 ? 20.063 -30.274 43.615 1.00 70.55 ? 386 ASN A ND2 1 ATOM 1944 N N . THR A 1 254 ? 16.989 -26.318 42.955 1.00 37.42 ? 387 THR A N 1 ATOM 1945 C CA . THR A 1 254 ? 15.588 -26.045 42.637 1.00 31.82 ? 387 THR A CA 1 ATOM 1946 C C . THR A 1 254 ? 14.934 -27.118 41.770 1.00 35.48 ? 387 THR A C 1 ATOM 1947 O O . THR A 1 254 ? 13.938 -26.851 41.096 1.00 41.64 ? 387 THR A O 1 ATOM 1948 C CB . THR A 1 254 ? 15.425 -24.690 41.924 1.00 29.64 ? 387 THR A CB 1 ATOM 1949 O OG1 . THR A 1 254 ? 16.280 -24.648 40.775 1.00 34.10 ? 387 THR A OG1 1 ATOM 1950 C CG2 . THR A 1 254 ? 15.781 -23.550 42.861 1.00 33.47 ? 387 THR A CG2 1 ATOM 1951 N N . THR A 1 255 ? 15.491 -28.324 41.789 1.00 34.22 ? 388 THR A N 1 ATOM 1952 C CA . THR A 1 255 ? 14.934 -29.437 41.026 1.00 44.22 ? 388 THR A CA 1 ATOM 1953 C C . THR A 1 255 ? 13.480 -29.721 41.410 1.00 48.70 ? 388 THR A C 1 ATOM 1954 O O . THR A 1 255 ? 12.641 -29.984 40.546 1.00 46.65 ? 388 THR A O 1 ATOM 1955 C CB . THR A 1 255 ? 15.776 -30.716 41.207 1.00 38.10 ? 388 THR A CB 1 ATOM 1956 O OG1 . THR A 1 255 ? 17.104 -30.484 40.724 1.00 43.44 ? 388 THR A OG1 1 ATOM 1957 C CG2 . THR A 1 255 ? 15.162 -31.880 40.444 1.00 37.16 ? 388 THR A CG2 1 ATOM 1958 N N . GLN A 1 256 ? 13.184 -29.651 42.705 1.00 45.26 ? 389 GLN A N 1 ATOM 1959 C CA . GLN A 1 256 ? 11.831 -29.899 43.196 1.00 43.05 ? 389 GLN A CA 1 ATOM 1960 C C . GLN A 1 256 ? 10.832 -28.849 42.710 1.00 38.00 ? 389 GLN A C 1 ATOM 1961 O O . GLN A 1 256 ? 9.655 -29.147 42.514 1.00 44.01 ? 389 GLN A O 1 ATOM 1962 C CB . GLN A 1 256 ? 11.811 -29.967 44.726 1.00 45.02 ? 389 GLN A CB 1 ATOM 1963 C CG . GLN A 1 256 ? 12.604 -31.125 45.309 1.00 45.49 ? 389 GLN A CG 1 ATOM 1964 C CD . GLN A 1 256 ? 12.512 -31.192 46.821 1.00 55.17 ? 389 GLN A CD 1 ATOM 1965 O OE1 . GLN A 1 256 ? 11.543 -31.711 47.374 1.00 53.78 ? 389 GLN A OE1 1 ATOM 1966 N NE2 . GLN A 1 256 ? 13.524 -30.660 47.498 1.00 44.53 ? 389 GLN A NE2 1 ATOM 1967 N N . LEU A 1 257 ? 11.306 -27.624 42.515 1.00 31.95 ? 390 LEU A N 1 ATOM 1968 C CA . LEU A 1 257 ? 10.445 -26.536 42.060 1.00 40.43 ? 390 LEU A CA 1 ATOM 1969 C C . LEU A 1 257 ? 10.033 -26.691 40.600 1.00 43.93 ? 390 LEU A C 1 ATOM 1970 O O . LEU A 1 257 ? 8.912 -26.355 40.223 1.00 47.39 ? 390 LEU A O 1 ATOM 1971 C CB . LEU A 1 257 ? 11.131 -25.185 42.260 1.00 37.63 ? 390 LEU A CB 1 ATOM 1972 C CG . LEU A 1 257 ? 11.286 -24.720 43.706 1.00 40.79 ? 390 LEU A CG 1 ATOM 1973 C CD1 . LEU A 1 257 ? 11.865 -23.318 43.743 1.00 36.50 ? 390 LEU A CD1 1 ATOM 1974 C CD2 . LEU A 1 257 ? 9.947 -24.779 44.428 1.00 36.18 ? 390 LEU A CD2 1 ATOM 1975 N N . PHE A 1 258 ? 10.947 -27.190 39.778 1.00 53.07 ? 391 PHE A N 1 ATOM 1976 C CA . PHE A 1 258 ? 10.675 -27.342 38.356 1.00 55.04 ? 391 PHE A CA 1 ATOM 1977 C C . PHE A 1 258 ? 10.555 -28.815 37.988 1.00 67.90 ? 391 PHE A C 1 ATOM 1978 O O . PHE A 1 258 ? 11.352 -29.359 37.224 1.00 59.44 ? 391 PHE A O 1 ATOM 1979 C CB . PHE A 1 258 ? 11.740 -26.619 37.534 1.00 38.46 ? 391 PHE A CB 1 ATOM 1980 C CG . PHE A 1 258 ? 11.847 -25.158 37.862 1.00 36.95 ? 391 PHE A CG 1 ATOM 1981 C CD1 . PHE A 1 258 ? 10.984 -24.242 37.282 1.00 38.49 ? 391 PHE A CD1 1 ATOM 1982 C CD2 . PHE A 1 258 ? 12.786 -24.703 38.772 1.00 30.11 ? 391 PHE A CD2 1 ATOM 1983 C CE1 . PHE A 1 258 ? 11.068 -22.899 37.591 1.00 30.65 ? 391 PHE A CE1 1 ATOM 1984 C CE2 . PHE A 1 258 ? 12.874 -23.360 39.085 1.00 31.44 ? 391 PHE A CE2 1 ATOM 1985 C CZ . PHE A 1 258 ? 12.014 -22.457 38.493 1.00 33.57 ? 391 PHE A CZ 1 ATOM 1986 N N . ASN A 1 259 ? 9.526 -29.437 38.555 1.00 86.27 ? 392 ASN A N 1 ATOM 1987 C CA . ASN A 1 259 ? 9.260 -30.862 38.427 1.00 102.60 ? 392 ASN A CA 1 ATOM 1988 C C . ASN A 1 259 ? 7.819 -31.039 37.955 1.00 105.15 ? 392 ASN A C 1 ATOM 1989 O O . ASN A 1 259 ? 6.890 -31.058 38.764 1.00 107.52 ? 392 ASN A O 1 ATOM 1990 C CB . ASN A 1 259 ? 9.484 -31.525 39.789 1.00 121.64 ? 392 ASN A CB 1 ATOM 1991 C CG . ASN A 1 259 ? 9.194 -33.012 39.784 1.00 143.91 ? 392 ASN A CG 1 ATOM 1992 O OD1 . ASN A 1 259 ? 9.222 -33.668 38.742 1.00 146.85 ? 392 ASN A OD1 1 ATOM 1993 N ND2 . ASN A 1 259 ? 8.916 -33.555 40.969 1.00 162.73 ? 392 ASN A ND2 1 ATOM 1994 N N . ASN A 1 260 ? 7.647 -31.167 36.641 1.00 102.98 ? 393 ASN A N 1 ATOM 1995 C CA . ASN A 1 260 ? 6.339 -31.073 35.979 1.00 94.85 ? 393 ASN A CA 1 ATOM 1996 C C . ASN A 1 260 ? 5.196 -31.927 36.533 1.00 97.30 ? 393 ASN A C 1 ATOM 1997 O O . ASN A 1 260 ? 4.032 -31.683 36.214 1.00 101.06 ? 393 ASN A O 1 ATOM 1998 C CB . ASN A 1 260 ? 6.483 -31.362 34.482 1.00 82.81 ? 393 ASN A CB 1 ATOM 1999 C CG . ASN A 1 260 ? 7.501 -30.469 33.813 1.00 77.59 ? 393 ASN A CG 1 ATOM 2000 O OD1 . ASN A 1 260 ? 7.191 -29.353 33.398 1.00 78.08 ? 393 ASN A OD1 1 ATOM 2001 N ND2 . ASN A 1 260 ? 8.728 -30.962 33.695 1.00 76.54 ? 393 ASN A ND2 1 ATOM 2002 N N . THR A 1 261 ? 5.524 -32.923 37.348 1.00 98.04 ? 394 THR A N 1 ATOM 2003 C CA . THR A 1 261 ? 4.527 -33.878 37.826 1.00 97.50 ? 394 THR A CA 1 ATOM 2004 C C . THR A 1 261 ? 3.412 -33.247 38.662 1.00 90.76 ? 394 THR A C 1 ATOM 2005 O O . THR A 1 261 ? 2.248 -33.626 38.534 1.00 89.36 ? 394 THR A O 1 ATOM 2006 C CB . THR A 1 261 ? 5.182 -35.018 38.624 1.00 101.85 ? 394 THR A CB 1 ATOM 2007 O OG1 . THR A 1 261 ? 5.989 -34.466 39.671 1.00 105.11 ? 394 THR A OG1 1 ATOM 2008 C CG2 . THR A 1 261 ? 6.054 -35.864 37.710 1.00 100.51 ? 394 THR A CG2 1 ATOM 2009 N N . CYS A 1 262 ? 3.765 -32.286 39.508 1.00 89.80 ? 395 CYS A N 1 ATOM 2010 C CA . CYS A 1 262 ? 2.781 -31.643 40.377 1.00 87.44 ? 395 CYS A CA 1 ATOM 2011 C C . CYS A 1 262 ? 2.049 -30.486 39.698 1.00 86.21 ? 395 CYS A C 1 ATOM 2012 O O . CYS A 1 262 ? 1.943 -29.397 40.259 1.00 87.44 ? 395 CYS A O 1 ATOM 2013 C CB . CYS A 1 262 ? 3.431 -31.171 41.681 1.00 83.51 ? 395 CYS A CB 1 ATOM 2014 S SG . CYS A 1 262 ? 3.696 -32.482 42.899 1.00 97.57 ? 395 CYS A SG 1 ATOM 2015 N N . ILE A 1 263 ? 1.544 -30.733 38.493 1.00 90.60 ? 396 ILE A N 1 ATOM 2016 C CA . ILE A 1 263 ? 0.764 -29.736 37.767 1.00 90.76 ? 396 ILE A CA 1 ATOM 2017 C C . ILE A 1 263 ? -0.546 -30.327 37.257 1.00 101.25 ? 396 ILE A C 1 ATOM 2018 O O . ILE A 1 263 ? -1.629 -29.927 37.687 1.00 107.33 ? 396 ILE A O 1 ATOM 2019 C CB . ILE A 1 263 ? 1.548 -29.148 36.577 1.00 80.97 ? 396 ILE A CB 1 ATOM 2020 C CG1 . ILE A 1 263 ? 2.708 -28.283 37.076 1.00 66.87 ? 396 ILE A CG1 1 ATOM 2021 C CG2 . ILE A 1 263 ? 0.629 -28.330 35.685 1.00 82.45 ? 396 ILE A CG2 1 ATOM 2022 C CD1 . ILE A 1 263 ? 3.500 -27.625 35.968 1.00 56.58 ? 396 ILE A CD1 1 ATOM 2023 N N . ASN A 1 272 ? 1.650 -31.169 47.401 1.00 89.11 ? 411 ASN A N 1 ATOM 2024 C CA . ASN A 1 272 ? 0.905 -30.061 47.986 1.00 90.65 ? 411 ASN A CA 1 ATOM 2025 C C . ASN A 1 272 ? 1.472 -29.631 49.336 1.00 83.25 ? 411 ASN A C 1 ATOM 2026 O O . ASN A 1 272 ? 1.107 -28.582 49.866 1.00 90.01 ? 411 ASN A O 1 ATOM 2027 C CB . ASN A 1 272 ? -0.575 -30.422 48.132 1.00 108.16 ? 411 ASN A CB 1 ATOM 2028 C CG . ASN A 1 272 ? -1.295 -30.492 46.798 1.00 122.38 ? 411 ASN A CG 1 ATOM 2029 O OD1 . ASN A 1 272 ? -0.862 -29.889 45.815 1.00 123.54 ? 411 ASN A OD1 1 ATOM 2030 N ND2 . ASN A 1 272 ? -2.401 -31.227 46.758 1.00 128.98 ? 411 ASN A ND2 1 ATOM 2031 N N . GLY A 1 273 ? 2.365 -30.448 49.888 1.00 68.32 ? 412 GLY A N 1 ATOM 2032 C CA . GLY A 1 273 ? 2.986 -30.149 51.166 1.00 64.31 ? 412 GLY A CA 1 ATOM 2033 C C . GLY A 1 273 ? 4.120 -29.150 51.040 1.00 64.38 ? 412 GLY A C 1 ATOM 2034 O O . GLY A 1 273 ? 4.288 -28.517 49.998 1.00 60.15 ? 412 GLY A O 1 ATOM 2035 N N . THR A 1 274 ? 4.903 -29.007 52.106 1.00 61.42 ? 413 THR A N 1 ATOM 2036 C CA . THR A 1 274 ? 6.034 -28.086 52.104 1.00 58.28 ? 413 THR A CA 1 ATOM 2037 C C . THR A 1 274 ? 7.205 -28.639 51.298 1.00 56.52 ? 413 THR A C 1 ATOM 2038 O O . THR A 1 274 ? 7.630 -29.777 51.502 1.00 57.73 ? 413 THR A O 1 ATOM 2039 C CB . THR A 1 274 ? 6.512 -27.769 53.536 1.00 56.78 ? 413 THR A CB 1 ATOM 2040 O OG1 . THR A 1 274 ? 5.494 -27.039 54.231 1.00 54.71 ? 413 THR A OG1 1 ATOM 2041 C CG2 . THR A 1 274 ? 7.789 -26.937 53.505 1.00 48.42 ? 413 THR A CG2 1 ATOM 2042 N N . ILE A 1 275 ? 7.719 -27.829 50.379 1.00 52.04 ? 414 ILE A N 1 ATOM 2043 C CA . ILE A 1 275 ? 8.884 -28.203 49.587 1.00 53.04 ? 414 ILE A CA 1 ATOM 2044 C C . ILE A 1 275 ? 10.164 -27.709 50.250 1.00 55.22 ? 414 ILE A C 1 ATOM 2045 O O . ILE A 1 275 ? 10.383 -26.504 50.370 1.00 58.22 ? 414 ILE A O 1 ATOM 2046 C CB . ILE A 1 275 ? 8.814 -27.612 48.171 1.00 50.44 ? 414 ILE A CB 1 ATOM 2047 C CG1 . ILE A 1 275 ? 7.532 -28.057 47.467 1.00 51.11 ? 414 ILE A CG1 1 ATOM 2048 C CG2 . ILE A 1 275 ? 10.041 -28.014 47.368 1.00 55.02 ? 414 ILE A CG2 1 ATOM 2049 C CD1 . ILE A 1 275 ? 7.362 -27.467 46.082 1.00 44.10 ? 414 ILE A CD1 1 ATOM 2050 N N . THR A 1 276 ? 11.007 -28.642 50.678 1.00 48.22 ? 415 THR A N 1 ATOM 2051 C CA . THR A 1 276 ? 12.279 -28.290 51.297 1.00 45.90 ? 415 THR A CA 1 ATOM 2052 C C . THR A 1 276 ? 13.431 -28.463 50.313 1.00 45.97 ? 415 THR A C 1 ATOM 2053 O O . THR A 1 276 ? 13.803 -29.587 49.972 1.00 53.98 ? 415 THR A O 1 ATOM 2054 C CB . THR A 1 276 ? 12.552 -29.142 52.552 1.00 47.16 ? 415 THR A CB 1 ATOM 2055 O OG1 . THR A 1 276 ? 11.470 -28.987 53.480 1.00 52.58 ? 415 THR A OG1 1 ATOM 2056 C CG2 . THR A 1 276 ? 13.851 -28.712 53.219 1.00 46.85 ? 415 THR A CG2 1 ATOM 2057 N N . LEU A 1 277 ? 13.991 -27.346 49.855 1.00 45.41 ? 416 LEU A N 1 ATOM 2058 C CA . LEU A 1 277 ? 15.113 -27.371 48.922 1.00 43.17 ? 416 LEU A CA 1 ATOM 2059 C C . LEU A 1 277 ? 16.436 -27.493 49.669 1.00 43.92 ? 416 LEU A C 1 ATOM 2060 O O . LEU A 1 277 ? 16.676 -26.765 50.627 1.00 36.67 ? 416 LEU A O 1 ATOM 2061 C CB . LEU A 1 277 ? 15.130 -26.099 48.071 1.00 42.34 ? 416 LEU A CB 1 ATOM 2062 C CG . LEU A 1 277 ? 13.858 -25.718 47.312 1.00 41.69 ? 416 LEU A CG 1 ATOM 2063 C CD1 . LEU A 1 277 ? 14.045 -24.381 46.606 1.00 32.46 ? 416 LEU A CD1 1 ATOM 2064 C CD2 . LEU A 1 277 ? 13.471 -26.804 46.323 1.00 37.84 ? 416 LEU A CD2 1 ATOM 2065 N N . PRO A 1 278 ? 17.301 -28.420 49.233 1.00 39.97 ? 417 PRO A N 1 ATOM 2066 C CA . PRO A 1 278 ? 18.640 -28.519 49.825 1.00 41.64 ? 417 PRO A CA 1 ATOM 2067 C C . PRO A 1 278 ? 19.533 -27.366 49.364 1.00 40.31 ? 417 PRO A C 1 ATOM 2068 O O . PRO A 1 278 ? 19.622 -27.092 48.167 1.00 40.48 ? 417 PRO A O 1 ATOM 2069 C CB . PRO A 1 278 ? 19.161 -29.855 49.290 1.00 35.47 ? 417 PRO A CB 1 ATOM 2070 C CG . PRO A 1 278 ? 18.416 -30.068 48.014 1.00 40.49 ? 417 PRO A CG 1 ATOM 2071 C CD . PRO A 1 278 ? 17.055 -29.467 48.226 1.00 34.96 ? 417 PRO A CD 1 ATOM 2072 N N . CYS A 1 279 ? 20.179 -26.695 50.313 1.00 36.42 ? 418 CYS A N 1 ATOM 2073 C CA . CYS A 1 279 ? 21.028 -25.551 49.995 1.00 35.77 ? 418 CYS A CA 1 ATOM 2074 C C . CYS A 1 279 ? 22.390 -25.662 50.668 1.00 32.38 ? 418 CYS A C 1 ATOM 2075 O O . CYS A 1 279 ? 22.564 -26.414 51.625 1.00 35.02 ? 418 CYS A O 1 ATOM 2076 C CB . CYS A 1 279 ? 20.358 -24.243 50.426 1.00 37.17 ? 418 CYS A CB 1 ATOM 2077 S SG . CYS A 1 279 ? 18.771 -23.905 49.644 1.00 48.99 ? 418 CYS A SG 1 ATOM 2078 N N . LYS A 1 280 ? 23.355 -24.904 50.162 1.00 34.02 ? 419 LYS A N 1 ATOM 2079 C CA . LYS A 1 280 ? 24.655 -24.805 50.810 1.00 37.51 ? 419 LYS A CA 1 ATOM 2080 C C . LYS A 1 280 ? 25.212 -23.389 50.718 1.00 38.00 ? 419 LYS A C 1 ATOM 2081 O O . LYS A 1 280 ? 25.039 -22.707 49.707 1.00 39.53 ? 419 LYS A O 1 ATOM 2082 C CB . LYS A 1 280 ? 25.647 -25.814 50.223 1.00 42.42 ? 419 LYS A CB 1 ATOM 2083 C CG . LYS A 1 280 ? 25.985 -25.601 48.756 1.00 57.63 ? 419 LYS A CG 1 ATOM 2084 C CD . LYS A 1 280 ? 26.972 -26.651 48.264 1.00 64.44 ? 419 LYS A CD 1 ATOM 2085 C CE . LYS A 1 280 ? 27.286 -26.469 46.787 1.00 68.29 ? 419 LYS A CE 1 ATOM 2086 N NZ . LYS A 1 280 ? 28.207 -27.523 46.280 1.00 76.08 ? 419 LYS A NZ 1 ATOM 2087 N N . ILE A 1 281 ? 25.867 -22.948 51.786 1.00 38.09 ? 420 ILE A N 1 ATOM 2088 C CA . ILE A 1 281 ? 26.554 -21.665 51.775 1.00 36.32 ? 420 ILE A CA 1 ATOM 2089 C C . ILE A 1 281 ? 27.941 -21.835 51.177 1.00 42.65 ? 420 ILE A C 1 ATOM 2090 O O . ILE A 1 281 ? 28.767 -22.580 51.706 1.00 49.35 ? 420 ILE A O 1 ATOM 2091 C CB . ILE A 1 281 ? 26.691 -21.077 53.187 1.00 36.51 ? 420 ILE A CB 1 ATOM 2092 C CG1 . ILE A 1 281 ? 25.314 -20.899 53.829 1.00 31.43 ? 420 ILE A CG1 1 ATOM 2093 C CG2 . ILE A 1 281 ? 27.435 -19.749 53.141 1.00 37.12 ? 420 ILE A CG2 1 ATOM 2094 C CD1 . ILE A 1 281 ? 25.369 -20.315 55.219 1.00 40.94 ? 420 ILE A CD1 1 ATOM 2095 N N . LYS A 1 282 ? 28.197 -21.150 50.068 1.00 34.70 ? 421 LYS A N 1 ATOM 2096 C CA . LYS A 1 282 ? 29.491 -21.253 49.405 1.00 37.47 ? 421 LYS A CA 1 ATOM 2097 C C . LYS A 1 282 ? 30.389 -20.058 49.692 1.00 38.61 ? 421 LYS A C 1 ATOM 2098 O O . LYS A 1 282 ? 29.944 -18.909 49.663 1.00 40.59 ? 421 LYS A O 1 ATOM 2099 C CB . LYS A 1 282 ? 29.327 -21.431 47.895 1.00 41.26 ? 421 LYS A CB 1 ATOM 2100 C CG . LYS A 1 282 ? 28.869 -22.816 47.472 1.00 45.04 ? 421 LYS A CG 1 ATOM 2101 C CD . LYS A 1 282 ? 29.323 -23.112 46.055 1.00 48.97 ? 421 LYS A CD 1 ATOM 2102 C CE . LYS A 1 282 ? 30.840 -23.197 45.986 1.00 45.62 ? 421 LYS A CE 1 ATOM 2103 N NZ . LYS A 1 282 ? 31.380 -22.645 44.714 1.00 64.81 ? 421 LYS A NZ 1 ATOM 2104 N N . GLN A 1 283 ? 31.657 -20.339 49.969 1.00 32.15 ? 422 GLN A N 1 ATOM 2105 C CA . GLN A 1 283 ? 32.651 -19.295 50.175 1.00 42.14 ? 422 GLN A CA 1 ATOM 2106 C C . GLN A 1 283 ? 33.275 -18.892 48.843 1.00 45.18 ? 422 GLN A C 1 ATOM 2107 O O . GLN A 1 283 ? 33.619 -17.730 48.636 1.00 48.71 ? 422 GLN A O 1 ATOM 2108 C CB . GLN A 1 283 ? 33.739 -19.772 51.136 1.00 44.02 ? 422 GLN A CB 1 ATOM 2109 C CG . GLN A 1 283 ? 33.220 -20.209 52.495 1.00 49.81 ? 422 GLN A CG 1 ATOM 2110 C CD . GLN A 1 283 ? 34.330 -20.656 53.427 1.00 54.62 ? 422 GLN A CD 1 ATOM 2111 O OE1 . GLN A 1 283 ? 34.125 -21.508 54.290 1.00 66.13 ? 422 GLN A OE1 1 ATOM 2112 N NE2 . GLN A 1 283 ? 35.514 -20.078 53.257 1.00 55.00 ? 422 GLN A NE2 1 ATOM 2113 N N . ILE A 1 284 ? 33.417 -19.860 47.943 1.00 39.07 ? 423 ILE A N 1 ATOM 2114 C CA . ILE A 1 284 ? 34.007 -19.610 46.633 1.00 46.35 ? 423 ILE A CA 1 ATOM 2115 C C . ILE A 1 284 ? 32.923 -19.382 45.587 1.00 44.05 ? 423 ILE A C 1 ATOM 2116 O O . ILE A 1 284 ? 32.050 -20.226 45.389 1.00 47.91 ? 423 ILE A O 1 ATOM 2117 C CB . ILE A 1 284 ? 34.918 -20.770 46.200 1.00 50.44 ? 423 ILE A CB 1 ATOM 2118 C CG1 . ILE A 1 284 ? 36.020 -20.982 47.237 1.00 45.45 ? 423 ILE A CG1 1 ATOM 2119 C CG2 . ILE A 1 284 ? 35.515 -20.497 44.828 1.00 49.29 ? 423 ILE A CG2 1 ATOM 2120 C CD1 . ILE A 1 284 ? 37.009 -22.053 46.865 1.00 56.12 ? 423 ILE A CD1 1 ATOM 2121 N N . ILE A 1 285 ? 32.987 -18.234 44.920 1.00 46.88 ? 424 ILE A N 1 ATOM 2122 C CA . ILE A 1 285 ? 31.917 -17.803 44.026 1.00 48.88 ? 424 ILE A CA 1 ATOM 2123 C C . ILE A 1 285 ? 32.449 -17.237 42.710 1.00 44.85 ? 424 ILE A C 1 ATOM 2124 O O . ILE A 1 285 ? 33.436 -16.501 42.696 1.00 48.67 ? 424 ILE A O 1 ATOM 2125 C CB . ILE A 1 285 ? 31.033 -16.728 44.712 1.00 51.37 ? 424 ILE A CB 1 ATOM 2126 C CG1 . ILE A 1 285 ? 30.258 -17.330 45.886 1.00 56.02 ? 424 ILE A CG1 1 ATOM 2127 C CG2 . ILE A 1 285 ? 30.067 -16.090 43.728 1.00 49.19 ? 424 ILE A CG2 1 ATOM 2128 C CD1 . ILE A 1 285 ? 30.831 -16.978 47.233 1.00 56.13 ? 424 ILE A CD1 1 ATOM 2129 N N . ASN A 1 286 ? 31.802 -17.599 41.604 1.00 39.12 ? 425 ASN A N 1 ATOM 2130 C CA . ASN A 1 286 ? 31.986 -16.880 40.351 1.00 53.49 ? 425 ASN A CA 1 ATOM 2131 C C . ASN A 1 286 ? 31.291 -15.528 40.457 1.00 49.71 ? 425 ASN A C 1 ATOM 2132 O O . ASN A 1 286 ? 30.068 -15.460 40.580 1.00 41.41 ? 425 ASN A O 1 ATOM 2133 C CB . ASN A 1 286 ? 31.406 -17.670 39.178 1.00 58.89 ? 425 ASN A CB 1 ATOM 2134 C CG . ASN A 1 286 ? 32.155 -18.960 38.920 1.00 62.90 ? 425 ASN A CG 1 ATOM 2135 O OD1 . ASN A 1 286 ? 33.377 -19.017 39.049 1.00 59.62 ? 425 ASN A OD1 1 ATOM 2136 N ND2 . ASN A 1 286 ? 31.422 -20.005 38.551 1.00 68.45 ? 425 ASN A ND2 1 ATOM 2137 N N . MET A 1 287 ? 32.074 -14.456 40.416 1.00 44.90 ? 426 MET A N 1 ATOM 2138 C CA . MET A 1 287 ? 31.544 -13.114 40.629 1.00 41.44 ? 426 MET A CA 1 ATOM 2139 C C . MET A 1 287 ? 30.582 -12.680 39.526 1.00 37.31 ? 426 MET A C 1 ATOM 2140 O O . MET A 1 287 ? 30.887 -12.799 38.341 1.00 50.23 ? 426 MET A O 1 ATOM 2141 C CB . MET A 1 287 ? 32.685 -12.107 40.763 1.00 36.27 ? 426 MET A CB 1 ATOM 2142 C CG . MET A 1 287 ? 33.642 -12.420 41.900 1.00 45.96 ? 426 MET A CG 1 ATOM 2143 S SD . MET A 1 287 ? 34.983 -11.227 42.027 1.00 58.33 ? 426 MET A SD 1 ATOM 2144 C CE . MET A 1 287 ? 34.078 -9.741 42.452 1.00 112.90 ? 426 MET A CE 1 ATOM 2145 N N . TRP A 1 288 ? 29.420 -12.173 39.930 1.00 39.06 ? 427 TRP A N 1 ATOM 2146 C CA . TRP A 1 288 ? 28.408 -11.717 38.983 1.00 42.95 ? 427 TRP A CA 1 ATOM 2147 C C . TRP A 1 288 ? 28.846 -10.446 38.258 1.00 48.01 ? 427 TRP A C 1 ATOM 2148 O O . TRP A 1 288 ? 28.276 -10.086 37.228 1.00 50.92 ? 427 TRP A O 1 ATOM 2149 C CB . TRP A 1 288 ? 27.068 -11.489 39.689 1.00 45.67 ? 427 TRP A CB 1 ATOM 2150 C CG . TRP A 1 288 ? 27.117 -10.445 40.764 1.00 45.29 ? 427 TRP A CG 1 ATOM 2151 C CD1 . TRP A 1 288 ? 27.365 -10.648 42.089 1.00 40.39 ? 427 TRP A CD1 1 ATOM 2152 C CD2 . TRP A 1 288 ? 26.909 -9.035 40.604 1.00 40.35 ? 427 TRP A CD2 1 ATOM 2153 N NE1 . TRP A 1 288 ? 27.327 -9.452 42.766 1.00 35.19 ? 427 TRP A NE1 1 ATOM 2154 C CE2 . TRP A 1 288 ? 27.049 -8.447 41.877 1.00 33.92 ? 427 TRP A CE2 1 ATOM 2155 C CE3 . TRP A 1 288 ? 26.620 -8.214 39.510 1.00 33.98 ? 427 TRP A CE3 1 ATOM 2156 C CZ2 . TRP A 1 288 ? 26.909 -7.076 42.086 1.00 37.27 ? 427 TRP A CZ2 1 ATOM 2157 C CZ3 . TRP A 1 288 ? 26.481 -6.853 39.718 1.00 38.91 ? 427 TRP A CZ3 1 ATOM 2158 C CH2 . TRP A 1 288 ? 26.626 -6.298 40.997 1.00 36.44 ? 427 TRP A CH2 1 ATOM 2159 N N . GLN A 1 289 ? 29.858 -9.774 38.798 1.00 34.18 ? 428 GLN A N 1 ATOM 2160 C CA . GLN A 1 289 ? 30.382 -8.558 38.186 1.00 62.23 ? 428 GLN A CA 1 ATOM 2161 C C . GLN A 1 289 ? 31.092 -8.858 36.868 1.00 62.98 ? 428 GLN A C 1 ATOM 2162 O O . GLN A 1 289 ? 31.304 -7.963 36.050 1.00 58.62 ? 428 GLN A O 1 ATOM 2163 C CB . GLN A 1 289 ? 31.336 -7.831 39.138 1.00 64.94 ? 428 GLN A CB 1 ATOM 2164 C CG . GLN A 1 289 ? 30.685 -7.290 40.404 1.00 60.27 ? 428 GLN A CG 1 ATOM 2165 C CD . GLN A 1 289 ? 30.629 -8.313 41.524 1.00 57.16 ? 428 GLN A CD 1 ATOM 2166 O OE1 . GLN A 1 289 ? 30.536 -9.516 41.281 1.00 49.12 ? 428 GLN A OE1 1 ATOM 2167 N NE2 . GLN A 1 289 ? 30.694 -7.834 42.761 1.00 56.21 ? 428 GLN A NE2 1 ATOM 2168 N N . GLY A 1 290 ? 31.462 -10.119 36.670 1.00 67.52 ? 429 GLY A N 1 ATOM 2169 C CA . GLY A 1 290 ? 32.099 -10.541 35.436 1.00 74.65 ? 429 GLY A CA 1 ATOM 2170 C C . GLY A 1 290 ? 33.610 -10.586 35.529 1.00 80.01 ? 429 GLY A C 1 ATOM 2171 O O . GLY A 1 290 ? 34.295 -10.811 34.532 1.00 89.47 ? 429 GLY A O 1 ATOM 2172 N N . THR A 1 291 ? 34.131 -10.368 36.731 1.00 82.40 ? 430 THR A N 1 ATOM 2173 C CA . THR A 1 291 ? 35.571 -10.384 36.953 1.00 92.99 ? 430 THR A CA 1 ATOM 2174 C C . THR A 1 291 ? 36.235 -11.758 36.895 1.00 92.48 ? 430 THR A C 1 ATOM 2175 O O . THR A 1 291 ? 36.885 -12.101 35.906 1.00 104.83 ? 430 THR A O 1 ATOM 2176 C CB . THR A 1 291 ? 35.935 -9.781 38.324 1.00 102.09 ? 430 THR A CB 1 ATOM 2177 O OG1 . THR A 1 291 ? 35.241 -10.486 39.360 1.00 106.36 ? 430 THR A OG1 1 ATOM 2178 C CG2 . THR A 1 291 ? 35.551 -8.310 38.377 1.00 102.36 ? 430 THR A CG2 1 ATOM 2179 N N . GLY A 1 292 ? 36.066 -12.539 37.956 1.00 80.41 ? 431 GLY A N 1 ATOM 2180 C CA . GLY A 1 292 ? 36.620 -13.879 38.014 1.00 66.94 ? 431 GLY A CA 1 ATOM 2181 C C . GLY A 1 292 ? 35.992 -14.667 39.147 1.00 56.83 ? 431 GLY A C 1 ATOM 2182 O O . GLY A 1 292 ? 34.771 -14.801 39.220 1.00 52.60 ? 431 GLY A O 1 ATOM 2183 N N . GLN A 1 293 ? 36.832 -15.191 40.034 1.00 58.85 ? 432 GLN A N 1 ATOM 2184 C CA . GLN A 1 293 ? 36.355 -15.931 41.196 1.00 52.91 ? 432 GLN A CA 1 ATOM 2185 C C . GLN A 1 293 ? 36.775 -15.237 42.486 1.00 53.63 ? 432 GLN A C 1 ATOM 2186 O O . GLN A 1 293 ? 37.760 -14.502 42.515 1.00 52.74 ? 432 GLN A O 1 ATOM 2187 C CB . GLN A 1 293 ? 36.874 -17.372 41.182 1.00 58.61 ? 432 GLN A CB 1 ATOM 2188 C CG . GLN A 1 293 ? 36.377 -18.211 40.016 1.00 70.49 ? 432 GLN A CG 1 ATOM 2189 C CD . GLN A 1 293 ? 37.178 -17.991 38.747 1.00 87.32 ? 432 GLN A CD 1 ATOM 2190 O OE1 . GLN A 1 293 ? 38.305 -17.495 38.787 1.00 87.44 ? 432 GLN A OE1 1 ATOM 2191 N NE2 . GLN A 1 293 ? 36.599 -18.361 37.610 1.00 94.62 ? 432 GLN A NE2 1 ATOM 2192 N N . ALA A 1 294 ? 36.022 -15.478 43.554 1.00 51.21 ? 433 ALA A N 1 ATOM 2193 C CA . ALA A 1 294 ? 36.307 -14.858 44.841 1.00 57.76 ? 433 ALA A CA 1 ATOM 2194 C C . ALA A 1 294 ? 36.005 -15.807 45.997 1.00 56.64 ? 433 ALA A C 1 ATOM 2195 O O . ALA A 1 294 ? 35.081 -16.616 45.920 1.00 59.58 ? 433 ALA A O 1 ATOM 2196 C CB . ALA A 1 294 ? 35.513 -13.571 44.992 1.00 57.14 ? 433 ALA A CB 1 ATOM 2197 N N . MET A 1 295 ? 36.790 -15.705 47.064 1.00 48.55 ? 434 MET A N 1 ATOM 2198 C CA . MET A 1 295 ? 36.566 -16.519 48.251 1.00 41.41 ? 434 MET A CA 1 ATOM 2199 C C . MET A 1 295 ? 36.260 -15.647 49.460 1.00 46.71 ? 434 MET A C 1 ATOM 2200 O O . MET A 1 295 ? 36.988 -14.701 49.757 1.00 47.93 ? 434 MET A O 1 ATOM 2201 C CB . MET A 1 295 ? 37.773 -17.413 48.548 1.00 47.19 ? 434 MET A CB 1 ATOM 2202 C CG . MET A 1 295 ? 37.519 -18.430 49.655 1.00 37.47 ? 434 MET A CG 1 ATOM 2203 S SD . MET A 1 295 ? 38.980 -19.375 50.134 1.00 58.83 ? 434 MET A SD 1 ATOM 2204 C CE . MET A 1 295 ? 39.934 -18.121 50.984 1.00 90.40 ? 434 MET A CE 1 ATOM 2205 N N . TYR A 1 296 ? 35.177 -15.974 50.156 1.00 46.62 ? 435 TYR A N 1 ATOM 2206 C CA . TYR A 1 296 ? 34.784 -15.234 51.346 1.00 46.32 ? 435 TYR A CA 1 ATOM 2207 C C . TYR A 1 296 ? 34.996 -16.067 52.602 1.00 49.23 ? 435 TYR A C 1 ATOM 2208 O O . TYR A 1 296 ? 35.295 -17.258 52.526 1.00 53.03 ? 435 TYR A O 1 ATOM 2209 C CB . TYR A 1 296 ? 33.324 -14.793 51.243 1.00 46.77 ? 435 TYR A CB 1 ATOM 2210 C CG . TYR A 1 296 ? 33.077 -13.763 50.166 1.00 42.23 ? 435 TYR A CG 1 ATOM 2211 C CD1 . TYR A 1 296 ? 32.785 -14.146 48.865 1.00 38.26 ? 435 TYR A CD1 1 ATOM 2212 C CD2 . TYR A 1 296 ? 33.140 -12.405 50.452 1.00 52.91 ? 435 TYR A CD2 1 ATOM 2213 C CE1 . TYR A 1 296 ? 32.561 -13.205 47.876 1.00 49.57 ? 435 TYR A CE1 1 ATOM 2214 C CE2 . TYR A 1 296 ? 32.915 -11.457 49.471 1.00 50.15 ? 435 TYR A CE2 1 ATOM 2215 C CZ . TYR A 1 296 ? 32.627 -11.862 48.186 1.00 46.43 ? 435 TYR A CZ 1 ATOM 2216 O OH . TYR A 1 296 ? 32.405 -10.920 47.209 1.00 54.04 ? 435 TYR A OH 1 ATOM 2217 N N . ALA A 1 297 ? 34.844 -15.428 53.756 1.00 46.22 ? 436 ALA A N 1 ATOM 2218 C CA . ALA A 1 297 ? 34.990 -16.109 55.035 1.00 46.32 ? 436 ALA A CA 1 ATOM 2219 C C . ALA A 1 297 ? 33.834 -17.080 55.258 1.00 47.53 ? 436 ALA A C 1 ATOM 2220 O O . ALA A 1 297 ? 32.751 -16.895 54.702 1.00 49.44 ? 436 ALA A O 1 ATOM 2221 C CB . ALA A 1 297 ? 35.064 -15.087 56.167 1.00 49.06 ? 436 ALA A CB 1 ATOM 2222 N N . PRO A 1 298 ? 34.066 -18.132 56.063 1.00 51.52 ? 437 PRO A N 1 ATOM 2223 C CA . PRO A 1 298 ? 33.029 -19.097 56.448 1.00 42.11 ? 437 PRO A CA 1 ATOM 2224 C C . PRO A 1 298 ? 31.846 -18.417 57.137 1.00 46.11 ? 437 PRO A C 1 ATOM 2225 O O . PRO A 1 298 ? 32.010 -17.316 57.659 1.00 37.48 ? 437 PRO A O 1 ATOM 2226 C CB . PRO A 1 298 ? 33.765 -20.008 57.433 1.00 47.11 ? 437 PRO A CB 1 ATOM 2227 C CG . PRO A 1 298 ? 35.178 -19.954 56.987 1.00 53.11 ? 437 PRO A CG 1 ATOM 2228 C CD . PRO A 1 298 ? 35.396 -18.538 56.552 1.00 55.47 ? 437 PRO A CD 1 ATOM 2229 N N . PRO A 1 299 ? 30.670 -19.067 57.139 1.00 46.35 ? 438 PRO A N 1 ATOM 2230 C CA . PRO A 1 299 ? 29.440 -18.504 57.710 1.00 45.78 ? 438 PRO A CA 1 ATOM 2231 C C . PRO A 1 299 ? 29.598 -18.028 59.152 1.00 55.95 ? 438 PRO A C 1 ATOM 2232 O O . PRO A 1 299 ? 30.427 -18.555 59.894 1.00 49.98 ? 438 PRO A O 1 ATOM 2233 C CB . PRO A 1 299 ? 28.468 -19.687 57.672 1.00 39.68 ? 438 PRO A CB 1 ATOM 2234 C CG . PRO A 1 299 ? 28.944 -20.524 56.548 1.00 49.28 ? 438 PRO A CG 1 ATOM 2235 C CD . PRO A 1 299 ? 30.439 -20.401 56.553 1.00 46.96 ? 438 PRO A CD 1 ATOM 2236 N N . ILE A 1 300 ? 28.801 -17.035 59.533 1.00 52.93 ? 439 ILE A N 1 ATOM 2237 C CA . ILE A 1 300 ? 28.751 -16.574 60.913 1.00 52.35 ? 439 ILE A CA 1 ATOM 2238 C C . ILE A 1 300 ? 28.067 -17.627 61.776 1.00 50.53 ? 439 ILE A C 1 ATOM 2239 O O . ILE A 1 300 ? 27.378 -18.509 61.263 1.00 44.24 ? 439 ILE A O 1 ATOM 2240 C CB . ILE A 1 300 ? 27.972 -15.251 61.037 1.00 58.41 ? 439 ILE A CB 1 ATOM 2241 C CG1 . ILE A 1 300 ? 26.555 -15.415 60.482 1.00 52.14 ? 439 ILE A CG1 1 ATOM 2242 C CG2 . ILE A 1 300 ? 28.697 -14.134 60.310 1.00 60.74 ? 439 ILE A CG2 1 ATOM 2243 C CD1 . ILE A 1 300 ? 25.735 -14.143 60.501 1.00 50.63 ? 439 ILE A CD1 1 ATOM 2244 N N . ASP A 1 301 ? 28.259 -17.535 63.086 1.00 54.68 ? 440 ASP A N 1 ATOM 2245 C CA . ASP A 1 301 ? 27.603 -18.452 64.010 1.00 58.55 ? 440 ASP A CA 1 ATOM 2246 C C . ASP A 1 301 ? 26.136 -18.078 64.181 1.00 52.29 ? 440 ASP A C 1 ATOM 2247 O O . ASP A 1 301 ? 25.729 -16.963 63.859 1.00 58.30 ? 440 ASP A O 1 ATOM 2248 C CB . ASP A 1 301 ? 28.310 -18.450 65.367 1.00 66.97 ? 440 ASP A CB 1 ATOM 2249 C CG . ASP A 1 301 ? 29.698 -19.058 65.302 1.00 71.77 ? 440 ASP A CG 1 ATOM 2250 O OD1 . ASP A 1 301 ? 29.905 -19.985 64.491 1.00 68.94 ? 440 ASP A OD1 1 ATOM 2251 O OD2 . ASP A 1 301 ? 30.581 -18.610 66.063 1.00 79.00 ? 440 ASP A OD2 1 ATOM 2252 N N . GLY A 1 302 ? 25.344 -19.018 64.685 1.00 52.33 ? 441 GLY A N 1 ATOM 2253 C CA . GLY A 1 302 ? 23.940 -18.766 64.945 1.00 56.04 ? 441 GLY A CA 1 ATOM 2254 C C . GLY A 1 302 ? 23.045 -19.038 63.751 1.00 59.54 ? 441 GLY A C 1 ATOM 2255 O O . GLY A 1 302 ? 23.506 -19.489 62.700 1.00 53.79 ? 441 GLY A O 1 ATOM 2256 N N . LYS A 1 303 ? 21.757 -18.760 63.918 1.00 61.47 ? 442 LYS A N 1 ATOM 2257 C CA . LYS A 1 303 ? 20.773 -18.999 62.871 1.00 54.65 ? 442 LYS A CA 1 ATOM 2258 C C . LYS A 1 303 ? 20.844 -17.931 61.787 1.00 51.04 ? 442 LYS A C 1 ATOM 2259 O O . LYS A 1 303 ? 20.727 -16.739 62.069 1.00 50.69 ? 442 LYS A O 1 ATOM 2260 C CB . LYS A 1 303 ? 19.362 -19.039 63.464 1.00 56.16 ? 442 LYS A CB 1 ATOM 2261 C CG . LYS A 1 303 ? 18.279 -19.385 62.458 1.00 58.68 ? 442 LYS A CG 1 ATOM 2262 C CD . LYS A 1 303 ? 16.890 -19.126 63.023 1.00 61.58 ? 442 LYS A CD 1 ATOM 2263 C CE . LYS A 1 303 ? 16.660 -17.641 63.249 1.00 70.97 ? 442 LYS A CE 1 ATOM 2264 N NZ . LYS A 1 303 ? 15.254 -17.344 63.641 1.00 80.65 ? 442 LYS A NZ 1 ATOM 2265 N N . ILE A 1 304 ? 21.039 -18.369 60.548 1.00 49.27 ? 443 ILE A N 1 ATOM 2266 C CA . ILE A 1 304 ? 21.039 -17.469 59.401 1.00 42.95 ? 443 ILE A CA 1 ATOM 2267 C C . ILE A 1 304 ? 19.761 -17.686 58.600 1.00 51.20 ? 443 ILE A C 1 ATOM 2268 O O . ILE A 1 304 ? 19.580 -18.733 57.981 1.00 48.58 ? 443 ILE A O 1 ATOM 2269 C CB . ILE A 1 304 ? 22.259 -17.711 58.495 1.00 44.07 ? 443 ILE A CB 1 ATOM 2270 C CG1 . ILE A 1 304 ? 23.552 -17.606 59.306 1.00 45.57 ? 443 ILE A CG1 1 ATOM 2271 C CG2 . ILE A 1 304 ? 22.265 -16.727 57.330 1.00 33.97 ? 443 ILE A CG2 1 ATOM 2272 C CD1 . ILE A 1 304 ? 24.797 -17.957 58.523 1.00 38.20 ? 443 ILE A CD1 1 ATOM 2273 N N . ASN A 1 305 ? 18.878 -16.693 58.616 1.00 45.84 ? 444 ASN A N 1 ATOM 2274 C CA . ASN A 1 305 ? 17.558 -16.842 58.017 1.00 43.56 ? 444 ASN A CA 1 ATOM 2275 C C . ASN A 1 305 ? 17.122 -15.650 57.171 1.00 45.42 ? 444 ASN A C 1 ATOM 2276 O O . ASN A 1 305 ? 17.287 -14.496 57.568 1.00 47.14 ? 444 ASN A O 1 ATOM 2277 C CB . ASN A 1 305 ? 16.516 -17.118 59.106 1.00 52.75 ? 444 ASN A CB 1 ATOM 2278 C CG . ASN A 1 305 ? 15.099 -17.125 58.570 1.00 53.86 ? 444 ASN A CG 1 ATOM 2279 O OD1 . ASN A 1 305 ? 14.379 -16.131 58.675 1.00 59.05 ? 444 ASN A OD1 1 ATOM 2280 N ND2 . ASN A 1 305 ? 14.690 -18.247 57.990 1.00 55.20 ? 444 ASN A ND2 1 ATOM 2281 N N . CYS A 1 306 ? 16.562 -15.944 56.002 1.00 37.49 ? 445 CYS A N 1 ATOM 2282 C CA . CYS A 1 306 ? 15.999 -14.923 55.128 1.00 34.15 ? 445 CYS A CA 1 ATOM 2283 C C . CYS A 1 306 ? 14.676 -15.398 54.544 1.00 38.27 ? 445 CYS A C 1 ATOM 2284 O O . CYS A 1 306 ? 14.613 -16.435 53.882 1.00 38.02 ? 445 CYS A O 1 ATOM 2285 C CB . CYS A 1 306 ? 16.966 -14.578 53.993 1.00 45.08 ? 445 CYS A CB 1 ATOM 2286 S SG . CYS A 1 306 ? 18.351 -13.527 54.470 1.00 56.81 ? 445 CYS A SG 1 ATOM 2287 N N . VAL A 1 307 ? 13.617 -14.638 54.798 1.00 43.41 ? 446 VAL A N 1 ATOM 2288 C CA . VAL A 1 307 ? 12.319 -14.925 54.210 1.00 41.14 ? 446 VAL A CA 1 ATOM 2289 C C . VAL A 1 307 ? 12.048 -13.930 53.094 1.00 40.20 ? 446 VAL A C 1 ATOM 2290 O O . VAL A 1 307 ? 11.861 -12.740 53.342 1.00 46.75 ? 446 VAL A O 1 ATOM 2291 C CB . VAL A 1 307 ? 11.194 -14.841 55.249 1.00 46.44 ? 446 VAL A CB 1 ATOM 2292 C CG1 . VAL A 1 307 ? 9.862 -15.197 54.606 1.00 38.36 ? 446 VAL A CG1 1 ATOM 2293 C CG2 . VAL A 1 307 ? 11.493 -15.761 56.424 1.00 43.14 ? 446 VAL A CG2 1 ATOM 2294 N N . SER A 1 308 ? 12.036 -14.419 51.860 1.00 42.80 ? 447 SER A N 1 ATOM 2295 C CA . SER A 1 308 ? 11.876 -13.552 50.703 1.00 42.46 ? 447 SER A CA 1 ATOM 2296 C C . SER A 1 308 ? 10.599 -13.868 49.943 1.00 39.41 ? 447 SER A C 1 ATOM 2297 O O . SER A 1 308 ? 10.055 -14.967 50.049 1.00 39.28 ? 447 SER A O 1 ATOM 2298 C CB . SER A 1 308 ? 13.080 -13.688 49.766 1.00 35.05 ? 447 SER A CB 1 ATOM 2299 O OG . SER A 1 308 ? 14.299 -13.519 50.468 1.00 34.01 ? 447 SER A OG 1 ATOM 2300 N N . ASN A 1 309 ? 10.076 -12.848 49.211 1.00 34.71 ? 448 ASN A N 1 ATOM 2301 C CA . ASN A 1 309 ? 9.009 -13.108 48.246 1.00 38.31 ? 448 ASN A CA 1 ATOM 2302 C C . ASN A 1 309 ? 9.613 -13.421 46.901 1.00 43.23 ? 448 ASN A C 1 ATOM 2303 O O . ASN A 1 309 ? 10.443 -12.660 46.407 1.00 35.78 ? 448 ASN A O 1 ATOM 2304 C CB . ASN A 1 309 ? 8.115 -11.890 48.055 1.00 39.19 ? 448 ASN A CB 1 ATOM 2305 C CG . ASN A 1 309 ? 7.524 -11.400 49.335 1.00 53.28 ? 448 ASN A CG 1 ATOM 2306 O OD1 . ASN A 1 309 ? 6.946 -12.164 50.091 1.00 39.51 ? 448 ASN A OD1 1 ATOM 2307 N ND2 . ASN A 1 309 ? 7.662 -10.105 49.582 1.00 78.50 ? 448 ASN A ND2 1 ATOM 2308 N N . ILE A 1 310 ? 9.146 -14.503 46.268 1.00 37.41 ? 449 ILE A N 1 ATOM 2309 C CA . ILE A 1 310 ? 9.456 -14.763 44.871 1.00 37.22 ? 449 ILE A CA 1 ATOM 2310 C C . ILE A 1 310 ? 8.485 -13.949 44.030 1.00 42.50 ? 449 ILE A C 1 ATOM 2311 O O . ILE A 1 310 ? 7.275 -14.169 44.078 1.00 33.60 ? 449 ILE A O 1 ATOM 2312 C CB . ILE A 1 310 ? 9.331 -16.254 44.514 1.00 33.72 ? 449 ILE A CB 1 ATOM 2313 C CG1 . ILE A 1 310 ? 10.260 -17.092 45.395 1.00 36.53 ? 449 ILE A CG1 1 ATOM 2314 C CG2 . ILE A 1 310 ? 9.654 -16.479 43.040 1.00 25.41 ? 449 ILE A CG2 1 ATOM 2315 C CD1 . ILE A 1 310 ? 10.137 -18.582 45.169 1.00 36.75 ? 449 ILE A CD1 1 ATOM 2316 N N . THR A 1 311 ? 9.016 -12.994 43.275 1.00 37.31 ? 450 THR A N 1 ATOM 2317 C CA . THR A 1 311 ? 8.179 -12.093 42.494 1.00 34.38 ? 450 THR A CA 1 ATOM 2318 C C . THR A 1 311 ? 8.414 -12.262 40.995 1.00 31.34 ? 450 THR A C 1 ATOM 2319 O O . THR A 1 311 ? 7.723 -11.655 40.180 1.00 31.15 ? 450 THR A O 1 ATOM 2320 C CB . THR A 1 311 ? 8.423 -10.625 42.894 1.00 35.12 ? 450 THR A CB 1 ATOM 2321 O OG1 . THR A 1 311 ? 9.796 -10.287 42.661 1.00 30.95 ? 450 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 311 ? 8.106 -10.418 44.371 1.00 29.59 ? 450 THR A CG2 1 ATOM 2323 N N . GLY A 1 312 ? 9.389 -13.094 40.639 1.00 27.85 ? 451 GLY A N 1 ATOM 2324 C CA . GLY A 1 312 ? 9.721 -13.315 39.244 1.00 28.91 ? 451 GLY A CA 1 ATOM 2325 C C . GLY A 1 312 ? 10.633 -14.503 39.005 1.00 35.19 ? 451 GLY A C 1 ATOM 2326 O O . GLY A 1 312 ? 11.335 -14.954 39.910 1.00 30.37 ? 451 GLY A O 1 ATOM 2327 N N . ILE A 1 313 ? 10.620 -15.011 37.777 1.00 31.70 ? 452 ILE A N 1 ATOM 2328 C CA . ILE A 1 313 ? 11.458 -16.146 37.402 1.00 28.06 ? 452 ILE A CA 1 ATOM 2329 C C . ILE A 1 313 ? 12.229 -15.847 36.119 1.00 29.69 ? 452 ILE A C 1 ATOM 2330 O O . ILE A 1 313 ? 11.680 -15.273 35.177 1.00 33.22 ? 452 ILE A O 1 ATOM 2331 C CB . ILE A 1 313 ? 10.619 -17.427 37.185 1.00 29.02 ? 452 ILE A CB 1 ATOM 2332 C CG1 . ILE A 1 313 ? 9.656 -17.653 38.352 1.00 34.24 ? 452 ILE A CG1 1 ATOM 2333 C CG2 . ILE A 1 313 ? 11.524 -18.637 37.003 1.00 31.42 ? 452 ILE A CG2 1 ATOM 2334 C CD1 . ILE A 1 313 ? 8.736 -18.844 38.161 1.00 38.69 ? 452 ILE A CD1 1 ATOM 2335 N N . LEU A 1 314 ? 13.503 -16.228 36.093 1.00 31.25 ? 453 LEU A N 1 ATOM 2336 C CA . LEU A 1 314 ? 14.320 -16.118 34.890 1.00 32.32 ? 453 LEU A CA 1 ATOM 2337 C C . LEU A 1 314 ? 14.393 -17.475 34.199 1.00 37.14 ? 453 LEU A C 1 ATOM 2338 O O . LEU A 1 314 ? 14.846 -18.455 34.788 1.00 37.58 ? 453 LEU A O 1 ATOM 2339 C CB . LEU A 1 314 ? 15.728 -15.632 35.236 1.00 29.39 ? 453 LEU A CB 1 ATOM 2340 C CG . LEU A 1 314 ? 15.824 -14.295 35.974 1.00 38.03 ? 453 LEU A CG 1 ATOM 2341 C CD1 . LEU A 1 314 ? 17.266 -13.998 36.355 1.00 42.90 ? 453 LEU A CD1 1 ATOM 2342 C CD2 . LEU A 1 314 ? 15.248 -13.170 35.129 1.00 32.64 ? 453 LEU A CD2 1 ATOM 2343 N N . LEU A 1 315 ? 13.947 -17.532 32.950 1.00 28.41 ? 454 LEU A N 1 ATOM 2344 C CA . LEU A 1 315 ? 13.894 -18.799 32.232 1.00 30.28 ? 454 LEU A CA 1 ATOM 2345 C C . LEU A 1 315 ? 14.736 -18.806 30.963 1.00 30.75 ? 454 LEU A C 1 ATOM 2346 O O . LEU A 1 315 ? 14.950 -17.769 30.336 1.00 33.88 ? 454 LEU A O 1 ATOM 2347 C CB . LEU A 1 315 ? 12.446 -19.158 31.894 1.00 29.86 ? 454 LEU A CB 1 ATOM 2348 C CG . LEU A 1 315 ? 11.517 -19.449 33.072 1.00 26.52 ? 454 LEU A CG 1 ATOM 2349 C CD1 . LEU A 1 315 ? 10.111 -19.743 32.574 1.00 30.95 ? 454 LEU A CD1 1 ATOM 2350 C CD2 . LEU A 1 315 ? 12.052 -20.611 33.905 1.00 26.66 ? 454 LEU A CD2 1 ATOM 2351 N N . THR A 1 316 ? 15.215 -19.991 30.603 1.00 41.53 ? 455 THR A N 1 ATOM 2352 C CA . THR A 1 316 ? 15.886 -20.211 29.328 1.00 40.06 ? 455 THR A CA 1 ATOM 2353 C C . THR A 1 316 ? 15.169 -21.338 28.598 1.00 38.28 ? 455 THR A C 1 ATOM 2354 O O . THR A 1 316 ? 14.970 -22.419 29.155 1.00 41.95 ? 455 THR A O 1 ATOM 2355 C CB . THR A 1 316 ? 17.369 -20.587 29.513 1.00 34.94 ? 455 THR A CB 1 ATOM 2356 O OG1 . THR A 1 316 ? 18.058 -19.520 30.176 1.00 41.78 ? 455 THR A OG1 1 ATOM 2357 C CG2 . THR A 1 316 ? 18.031 -20.843 28.163 1.00 28.99 ? 455 THR A CG2 1 ATOM 2358 N N . ARG A 1 317 ? 14.771 -21.080 27.357 1.00 36.71 ? 456 ARG A N 1 ATOM 2359 C CA . ARG A 1 317 ? 14.056 -22.068 26.559 1.00 31.56 ? 456 ARG A CA 1 ATOM 2360 C C . ARG A 1 317 ? 15.020 -22.901 25.717 1.00 36.84 ? 456 ARG A C 1 ATOM 2361 O O . ARG A 1 317 ? 15.948 -22.367 25.110 1.00 37.00 ? 456 ARG A O 1 ATOM 2362 C CB . ARG A 1 317 ? 13.031 -21.374 25.657 1.00 42.03 ? 456 ARG A CB 1 ATOM 2363 C CG . ARG A 1 317 ? 12.225 -22.313 24.773 1.00 36.80 ? 456 ARG A CG 1 ATOM 2364 C CD . ARG A 1 317 ? 11.151 -21.556 24.010 1.00 32.63 ? 456 ARG A CD 1 ATOM 2365 N NE . ARG A 1 317 ? 11.717 -20.599 23.063 1.00 33.83 ? 456 ARG A NE 1 ATOM 2366 C CZ . ARG A 1 317 ? 11.939 -20.862 21.778 1.00 34.69 ? 456 ARG A CZ 1 ATOM 2367 N NH1 . ARG A 1 317 ? 11.642 -22.057 21.283 1.00 32.76 ? 456 ARG A NH1 1 ATOM 2368 N NH2 . ARG A 1 317 ? 12.457 -19.932 20.986 1.00 28.14 ? 456 ARG A NH2 1 ATOM 2369 N N . ASP A 1 318 ? 14.800 -24.212 25.689 1.00 34.81 ? 457 ASP A N 1 ATOM 2370 C CA . ASP A 1 318 ? 15.631 -25.108 24.889 1.00 39.44 ? 457 ASP A CA 1 ATOM 2371 C C . ASP A 1 318 ? 15.431 -24.869 23.397 1.00 35.28 ? 457 ASP A C 1 ATOM 2372 O O . ASP A 1 318 ? 14.347 -24.482 22.959 1.00 43.15 ? 457 ASP A O 1 ATOM 2373 C CB . ASP A 1 318 ? 15.321 -26.574 25.210 1.00 45.04 ? 457 ASP A CB 1 ATOM 2374 C CG . ASP A 1 318 ? 15.770 -26.978 26.601 1.00 56.41 ? 457 ASP A CG 1 ATOM 2375 O OD1 . ASP A 1 318 ? 16.473 -26.185 27.261 1.00 54.53 ? 457 ASP A OD1 1 ATOM 2376 O OD2 . ASP A 1 318 ? 15.427 -28.101 27.030 1.00 60.68 ? 457 ASP A OD2 1 ATOM 2377 N N . GLY A 1 319 ? 16.482 -25.105 22.621 1.00 46.12 ? 458 GLY A N 1 ATOM 2378 C CA . GLY A 1 319 ? 16.388 -25.040 21.176 1.00 40.08 ? 458 GLY A CA 1 ATOM 2379 C C . GLY A 1 319 ? 16.120 -26.417 20.606 1.00 50.87 ? 458 GLY A C 1 ATOM 2380 O O . GLY A 1 319 ? 16.168 -27.412 21.333 1.00 47.60 ? 458 GLY A O 1 ATOM 2381 N N . GLY A 1 320 ? 15.825 -26.478 19.311 1.00 55.02 ? 459 GLY A N 1 ATOM 2382 C CA . GLY A 1 320 ? 15.627 -27.744 18.628 1.00 48.89 ? 459 GLY A CA 1 ATOM 2383 C C . GLY A 1 320 ? 14.295 -28.413 18.912 1.00 48.87 ? 459 GLY A C 1 ATOM 2384 O O . GLY A 1 320 ? 14.185 -29.637 18.845 1.00 52.70 ? 459 GLY A O 1 ATOM 2385 N N . ALA A 1 321 ? 13.276 -27.615 19.214 1.00 49.94 ? 460 ALA A N 1 ATOM 2386 C CA . ALA A 1 321 ? 11.961 -28.157 19.544 1.00 48.39 ? 460 ALA A CA 1 ATOM 2387 C C . ALA A 1 321 ? 10.894 -27.768 18.521 1.00 49.49 ? 460 ALA A C 1 ATOM 2388 O O . ALA A 1 321 ? 9.708 -28.034 18.723 1.00 49.43 ? 460 ALA A O 1 ATOM 2389 C CB . ALA A 1 321 ? 11.544 -27.718 20.941 1.00 43.86 ? 460 ALA A CB 1 ATOM 2390 N N . ASN A 1 322 ? 11.320 -27.148 17.425 1.00 44.11 ? 461 ASN A N 1 ATOM 2391 C CA . ASN A 1 322 ? 10.398 -26.664 16.399 1.00 44.89 ? 461 ASN A CA 1 ATOM 2392 C C . ASN A 1 322 ? 9.551 -27.762 15.761 1.00 45.54 ? 461 ASN A C 1 ATOM 2393 O O . ASN A 1 322 ? 8.410 -27.524 15.366 1.00 49.36 ? 461 ASN A O 1 ATOM 2394 C CB . ASN A 1 322 ? 11.156 -25.898 15.310 1.00 54.22 ? 461 ASN A CB 1 ATOM 2395 C CG . ASN A 1 322 ? 11.795 -24.626 15.830 1.00 58.45 ? 461 ASN A CG 1 ATOM 2396 O OD1 . ASN A 1 322 ? 11.324 -24.032 16.800 1.00 59.93 ? 461 ASN A OD1 1 ATOM 2397 N ND2 . ASN A 1 322 ? 12.873 -24.199 15.182 1.00 58.33 ? 461 ASN A ND2 1 ATOM 2398 N N . ASN A 1 323 ? 10.112 -28.962 15.659 1.00 44.20 ? 462 ASN A N 1 ATOM 2399 C CA . ASN A 1 323 ? 9.407 -30.074 15.035 1.00 46.77 ? 462 ASN A CA 1 ATOM 2400 C C . ASN A 1 323 ? 8.656 -30.948 16.038 1.00 55.33 ? 462 ASN A C 1 ATOM 2401 O O . ASN A 1 323 ? 8.235 -32.058 15.714 1.00 49.61 ? 462 ASN A O 1 ATOM 2402 C CB . ASN A 1 323 ? 10.372 -30.921 14.201 1.00 51.55 ? 462 ASN A CB 1 ATOM 2403 C CG . ASN A 1 323 ? 10.936 -30.162 13.012 1.00 53.74 ? 462 ASN A CG 1 ATOM 2404 O OD1 . ASN A 1 323 ? 10.284 -29.271 12.463 1.00 49.66 ? 462 ASN A OD1 1 ATOM 2405 N ND2 . ASN A 1 323 ? 12.152 -30.514 12.609 1.00 55.32 ? 462 ASN A ND2 1 ATOM 2406 N N . THR A 1 324 ? 8.495 -30.443 17.258 1.00 45.94 ? 463 THR A N 1 ATOM 2407 C CA . THR A 1 324 ? 7.740 -31.148 18.288 1.00 53.45 ? 463 THR A CA 1 ATOM 2408 C C . THR A 1 324 ? 6.650 -30.246 18.857 1.00 45.93 ? 463 THR A C 1 ATOM 2409 O O . THR A 1 324 ? 6.606 -29.052 18.559 1.00 49.02 ? 463 THR A O 1 ATOM 2410 C CB . THR A 1 324 ? 8.642 -31.628 19.444 1.00 53.48 ? 463 THR A CB 1 ATOM 2411 O OG1 . THR A 1 324 ? 9.006 -30.513 20.267 1.00 56.95 ? 463 THR A OG1 1 ATOM 2412 C CG2 . THR A 1 324 ? 9.898 -32.296 18.907 1.00 47.21 ? 463 THR A CG2 1 ATOM 2413 N N . SER A 1 325 ? 5.777 -30.819 19.678 1.00 44.37 ? 464 SER A N 1 ATOM 2414 C CA . SER A 1 325 ? 4.675 -30.064 20.263 1.00 46.19 ? 464 SER A CA 1 ATOM 2415 C C . SER A 1 325 ? 5.042 -29.512 21.636 1.00 41.41 ? 464 SER A C 1 ATOM 2416 O O . SER A 1 325 ? 4.227 -28.861 22.291 1.00 44.64 ? 464 SER A O 1 ATOM 2417 C CB . SER A 1 325 ? 3.421 -30.936 20.370 1.00 50.82 ? 464 SER A CB 1 ATOM 2418 O OG . SER A 1 325 ? 3.011 -31.402 19.097 1.00 58.36 ? 464 SER A OG 1 ATOM 2419 N N . ASN A 1 326 ? 6.272 -29.773 22.067 1.00 40.80 ? 465 ASN A N 1 ATOM 2420 C CA . ASN A 1 326 ? 6.731 -29.320 23.375 1.00 41.87 ? 465 ASN A CA 1 ATOM 2421 C C . ASN A 1 326 ? 7.700 -28.148 23.303 1.00 40.06 ? 465 ASN A C 1 ATOM 2422 O O . ASN A 1 326 ? 8.447 -28.000 22.336 1.00 45.08 ? 465 ASN A O 1 ATOM 2423 C CB . ASN A 1 326 ? 7.386 -30.469 24.148 1.00 45.02 ? 465 ASN A CB 1 ATOM 2424 C CG . ASN A 1 326 ? 6.436 -31.623 24.400 1.00 57.55 ? 465 ASN A CG 1 ATOM 2425 O OD1 . ASN A 1 326 ? 5.219 -31.475 24.295 1.00 60.63 ? 465 ASN A OD1 1 ATOM 2426 N ND2 . ASN A 1 326 ? 6.991 -32.780 24.743 1.00 59.48 ? 465 ASN A ND2 1 ATOM 2427 N N . GLU A 1 327 ? 7.670 -27.313 24.335 1.00 42.50 ? 466 GLU A N 1 ATOM 2428 C CA . GLU A 1 327 ? 8.696 -26.301 24.545 1.00 34.62 ? 466 GLU A CA 1 ATOM 2429 C C . GLU A 1 327 ? 9.219 -26.463 25.965 1.00 38.41 ? 466 GLU A C 1 ATOM 2430 O O . GLU A 1 327 ? 8.443 -26.464 26.920 1.00 39.35 ? 466 GLU A O 1 ATOM 2431 C CB . GLU A 1 327 ? 8.136 -24.893 24.338 1.00 35.96 ? 466 GLU A CB 1 ATOM 2432 C CG . GLU A 1 327 ? 7.764 -24.565 22.895 1.00 45.20 ? 466 GLU A CG 1 ATOM 2433 C CD . GLU A 1 327 ? 8.976 -24.386 21.993 1.00 45.70 ? 466 GLU A CD 1 ATOM 2434 O OE1 . GLU A 1 327 ? 10.105 -24.256 22.516 1.00 39.38 ? 466 GLU A OE1 1 ATOM 2435 O OE2 . GLU A 1 327 ? 8.797 -24.374 20.757 1.00 43.80 ? 466 GLU A OE2 1 ATOM 2436 N N . THR A 1 328 ? 10.532 -26.615 26.103 1.00 33.22 ? 467 THR A N 1 ATOM 2437 C CA . THR A 1 328 ? 11.128 -26.865 27.411 1.00 40.49 ? 467 THR A CA 1 ATOM 2438 C C . THR A 1 328 ? 11.787 -25.614 27.979 1.00 35.90 ? 467 THR A C 1 ATOM 2439 O O . THR A 1 328 ? 12.602 -24.971 27.318 1.00 40.29 ? 467 THR A O 1 ATOM 2440 C CB . THR A 1 328 ? 12.155 -28.013 27.360 1.00 36.16 ? 467 THR A CB 1 ATOM 2441 O OG1 . THR A 1 328 ? 11.561 -29.165 26.749 1.00 47.51 ? 467 THR A OG1 1 ATOM 2442 C CG2 . THR A 1 328 ? 12.621 -28.374 28.765 1.00 43.15 ? 467 THR A CG2 1 ATOM 2443 N N . PHE A 1 329 ? 11.425 -25.278 29.213 1.00 36.18 ? 468 PHE A N 1 ATOM 2444 C CA . PHE A 1 329 ? 11.966 -24.101 29.880 1.00 37.48 ? 468 PHE A CA 1 ATOM 2445 C C . PHE A 1 329 ? 12.761 -24.507 31.115 1.00 40.98 ? 468 PHE A C 1 ATOM 2446 O O . PHE A 1 329 ? 12.337 -25.373 31.880 1.00 34.65 ? 468 PHE A O 1 ATOM 2447 C CB . PHE A 1 329 ? 10.838 -23.139 30.264 1.00 24.99 ? 468 PHE A CB 1 ATOM 2448 C CG . PHE A 1 329 ? 10.058 -22.621 29.088 1.00 32.35 ? 468 PHE A CG 1 ATOM 2449 C CD1 . PHE A 1 329 ? 9.054 -23.385 28.513 1.00 34.21 ? 468 PHE A CD1 1 ATOM 2450 C CD2 . PHE A 1 329 ? 10.326 -21.369 28.560 1.00 33.71 ? 468 PHE A CD2 1 ATOM 2451 C CE1 . PHE A 1 329 ? 8.337 -22.912 27.429 1.00 34.74 ? 468 PHE A CE1 1 ATOM 2452 C CE2 . PHE A 1 329 ? 9.611 -20.889 27.477 1.00 38.74 ? 468 PHE A CE2 1 ATOM 2453 C CZ . PHE A 1 329 ? 8.616 -21.662 26.911 1.00 34.56 ? 468 PHE A CZ 1 ATOM 2454 N N . ARG A 1 330 ? 13.922 -23.887 31.297 1.00 47.14 ? 469 ARG A N 1 ATOM 2455 C CA . ARG A 1 330 ? 14.772 -24.167 32.448 1.00 34.70 ? 469 ARG A CA 1 ATOM 2456 C C . ARG A 1 330 ? 15.142 -22.865 33.148 1.00 36.75 ? 469 ARG A C 1 ATOM 2457 O O . ARG A 1 330 ? 15.394 -21.855 32.490 1.00 35.37 ? 469 ARG A O 1 ATOM 2458 C CB . ARG A 1 330 ? 16.044 -24.901 32.012 1.00 38.39 ? 469 ARG A CB 1 ATOM 2459 C CG . ARG A 1 330 ? 15.807 -26.140 31.154 1.00 35.16 ? 469 ARG A CG 1 ATOM 2460 C CD . ARG A 1 330 ? 17.126 -26.778 30.743 1.00 38.32 ? 469 ARG A CD 1 ATOM 2461 N NE . ARG A 1 330 ? 16.970 -27.717 29.634 1.00 46.63 ? 469 ARG A NE 1 ATOM 2462 C CZ . ARG A 1 330 ? 16.854 -29.034 29.775 1.00 47.41 ? 469 ARG A CZ 1 ATOM 2463 N NH1 . ARG A 1 330 ? 16.877 -29.580 30.983 1.00 55.71 ? 469 ARG A NH1 1 ATOM 2464 N NH2 . ARG A 1 330 ? 16.717 -29.806 28.707 1.00 43.98 ? 469 ARG A NH2 1 ATOM 2465 N N . PRO A 1 331 ? 15.175 -22.882 34.490 1.00 31.40 ? 470 PRO A N 1 ATOM 2466 C CA . PRO A 1 331 ? 15.553 -21.690 35.256 1.00 31.56 ? 470 PRO A CA 1 ATOM 2467 C C . PRO A 1 331 ? 16.991 -21.283 34.956 1.00 32.02 ? 470 PRO A C 1 ATOM 2468 O O . PRO A 1 331 ? 17.872 -22.142 34.895 1.00 37.50 ? 470 PRO A O 1 ATOM 2469 C CB . PRO A 1 331 ? 15.413 -22.147 36.713 1.00 31.85 ? 470 PRO A CB 1 ATOM 2470 C CG . PRO A 1 331 ? 15.520 -23.633 36.664 1.00 36.44 ? 470 PRO A CG 1 ATOM 2471 C CD . PRO A 1 331 ? 14.893 -24.036 35.363 1.00 35.37 ? 470 PRO A CD 1 ATOM 2472 N N . GLY A 1 332 ? 17.221 -19.988 34.758 1.00 39.66 ? 471 GLY A N 1 ATOM 2473 C CA . GLY A 1 332 ? 18.534 -19.507 34.368 1.00 45.85 ? 471 GLY A CA 1 ATOM 2474 C C . GLY A 1 332 ? 18.918 -18.188 35.006 1.00 50.99 ? 471 GLY A C 1 ATOM 2475 O O . GLY A 1 332 ? 18.604 -17.930 36.166 1.00 51.96 ? 471 GLY A O 1 ATOM 2476 N N . GLY A 1 333 ? 19.606 -17.347 34.241 1.00 55.45 ? 472 GLY A N 1 ATOM 2477 C CA . GLY A 1 333 ? 20.070 -16.068 34.743 1.00 51.39 ? 472 GLY A CA 1 ATOM 2478 C C . GLY A 1 333 ? 21.575 -15.927 34.635 1.00 58.52 ? 472 GLY A C 1 ATOM 2479 O O . GLY A 1 333 ? 22.207 -16.541 33.773 1.00 45.85 ? 472 GLY A O 1 ATOM 2480 N N . GLY A 1 334 ? 22.154 -15.119 35.517 1.00 58.23 ? 473 GLY A N 1 ATOM 2481 C CA . GLY A 1 334 ? 23.581 -14.858 35.487 1.00 57.50 ? 473 GLY A CA 1 ATOM 2482 C C . GLY A 1 334 ? 23.863 -13.420 35.106 1.00 61.50 ? 473 GLY A C 1 ATOM 2483 O O . GLY A 1 334 ? 24.818 -12.811 35.589 1.00 66.49 ? 473 GLY A O 1 ATOM 2484 N N . ASN A 1 335 ? 23.039 -12.887 34.219 1.00 52.79 ? 474 ASN A N 1 ATOM 2485 C CA . ASN A 1 335 ? 23.122 -11.481 33.859 1.00 32.49 ? 474 ASN A CA 1 ATOM 2486 C C . ASN A 1 335 ? 22.273 -10.654 34.813 1.00 35.31 ? 474 ASN A C 1 ATOM 2487 O O . ASN A 1 335 ? 21.055 -10.562 34.660 1.00 41.36 ? 474 ASN A O 1 ATOM 2488 C CB . ASN A 1 335 ? 22.681 -11.260 32.412 1.00 41.37 ? 474 ASN A CB 1 ATOM 2489 C CG . ASN A 1 335 ? 22.938 -9.844 31.934 1.00 51.22 ? 474 ASN A CG 1 ATOM 2490 O OD1 . ASN A 1 335 ? 23.620 -9.065 32.600 1.00 56.07 ? 474 ASN A OD1 1 ATOM 2491 N ND2 . ASN A 1 335 ? 22.395 -9.504 30.771 1.00 58.71 ? 474 ASN A ND2 1 ATOM 2492 N N . ILE A 1 336 ? 22.931 -10.055 35.797 1.00 26.68 ? 475 ILE A N 1 ATOM 2493 C CA . ILE A 1 336 ? 22.253 -9.323 36.860 1.00 22.07 ? 475 ILE A CA 1 ATOM 2494 C C . ILE A 1 336 ? 21.523 -8.086 36.327 1.00 34.50 ? 475 ILE A C 1 ATOM 2495 O O . ILE A 1 336 ? 20.615 -7.560 36.973 1.00 39.06 ? 475 ILE A O 1 ATOM 2496 C CB . ILE A 1 336 ? 23.250 -8.959 37.982 1.00 28.39 ? 475 ILE A CB 1 ATOM 2497 C CG1 . ILE A 1 336 ? 23.982 -10.218 38.442 1.00 35.82 ? 475 ILE A CG1 1 ATOM 2498 C CG2 . ILE A 1 336 ? 22.544 -8.349 39.170 1.00 30.24 ? 475 ILE A CG2 1 ATOM 2499 C CD1 . ILE A 1 336 ? 23.054 -11.283 39.003 1.00 40.56 ? 475 ILE A CD1 1 ATOM 2500 N N . LYS A 1 337 ? 21.902 -7.638 35.135 1.00 26.67 ? 476 LYS A N 1 ATOM 2501 C CA . LYS A 1 337 ? 21.199 -6.535 34.485 1.00 31.58 ? 476 LYS A CA 1 ATOM 2502 C C . LYS A 1 337 ? 19.739 -6.892 34.216 1.00 29.73 ? 476 LYS A C 1 ATOM 2503 O O . LYS A 1 337 ? 18.863 -6.027 34.267 1.00 36.41 ? 476 LYS A O 1 ATOM 2504 C CB . LYS A 1 337 ? 21.899 -6.126 33.189 1.00 33.82 ? 476 LYS A CB 1 ATOM 2505 C CG . LYS A 1 337 ? 23.155 -5.296 33.400 1.00 32.31 ? 476 LYS A CG 1 ATOM 2506 C CD . LYS A 1 337 ? 23.797 -4.928 32.070 1.00 38.06 ? 476 LYS A CD 1 ATOM 2507 C CE . LYS A 1 337 ? 25.010 -4.038 32.271 1.00 45.72 ? 476 LYS A CE 1 ATOM 2508 N NZ . LYS A 1 337 ? 25.626 -3.642 30.974 1.00 52.07 ? 476 LYS A NZ 1 ATOM 2509 N N . ASP A 1 338 ? 19.481 -8.169 33.941 1.00 27.49 ? 477 ASP A N 1 ATOM 2510 C CA . ASP A 1 338 ? 18.112 -8.653 33.780 1.00 31.74 ? 477 ASP A CA 1 ATOM 2511 C C . ASP A 1 338 ? 17.291 -8.446 35.050 1.00 31.13 ? 477 ASP A C 1 ATOM 2512 O O . ASP A 1 338 ? 16.087 -8.200 34.983 1.00 37.42 ? 477 ASP A O 1 ATOM 2513 C CB . ASP A 1 338 ? 18.097 -10.130 33.383 1.00 31.79 ? 477 ASP A CB 1 ATOM 2514 C CG . ASP A 1 338 ? 18.684 -10.370 32.006 1.00 38.26 ? 477 ASP A CG 1 ATOM 2515 O OD1 . ASP A 1 338 ? 18.599 -9.458 31.158 1.00 36.61 ? 477 ASP A OD1 1 ATOM 2516 O OD2 . ASP A 1 338 ? 19.226 -11.470 31.773 1.00 44.34 ? 477 ASP A OD2 1 ATOM 2517 N N . ASN A 1 339 ? 17.943 -8.552 36.207 1.00 28.90 ? 478 ASN A N 1 ATOM 2518 C CA . ASN A 1 339 ? 17.269 -8.298 37.480 1.00 26.99 ? 478 ASN A CA 1 ATOM 2519 C C . ASN A 1 339 ? 16.806 -6.846 37.591 1.00 34.07 ? 478 ASN A C 1 ATOM 2520 O O . ASN A 1 339 ? 15.713 -6.572 38.088 1.00 26.18 ? 478 ASN A O 1 ATOM 2521 C CB . ASN A 1 339 ? 18.169 -8.650 38.669 1.00 28.31 ? 478 ASN A CB 1 ATOM 2522 C CG . ASN A 1 339 ? 18.499 -10.129 38.741 1.00 34.25 ? 478 ASN A CG 1 ATOM 2523 O OD1 . ASN A 1 339 ? 18.753 -10.774 37.725 1.00 37.38 ? 478 ASN A OD1 1 ATOM 2524 N ND2 . ASN A 1 339 ? 18.496 -10.675 39.953 1.00 32.04 ? 478 ASN A ND2 1 ATOM 2525 N N . TRP A 1 340 ? 17.637 -5.917 37.126 1.00 27.86 ? 479 TRP A N 1 ATOM 2526 C CA . TRP A 1 340 ? 17.280 -4.504 37.170 1.00 31.66 ? 479 TRP A CA 1 ATOM 2527 C C . TRP A 1 340 ? 16.240 -4.169 36.105 1.00 31.28 ? 479 TRP A C 1 ATOM 2528 O O . TRP A 1 340 ? 15.385 -3.308 36.315 1.00 31.30 ? 479 TRP A O 1 ATOM 2529 C CB . TRP A 1 340 ? 18.515 -3.605 37.026 1.00 26.42 ? 479 TRP A CB 1 ATOM 2530 C CG . TRP A 1 340 ? 19.732 -4.062 37.804 1.00 34.91 ? 479 TRP A CG 1 ATOM 2531 C CD1 . TRP A 1 340 ? 21.030 -4.014 37.383 1.00 26.27 ? 479 TRP A CD1 1 ATOM 2532 C CD2 . TRP A 1 340 ? 19.763 -4.636 39.123 1.00 28.34 ? 479 TRP A CD2 1 ATOM 2533 N NE1 . TRP A 1 340 ? 21.864 -4.516 38.351 1.00 29.24 ? 479 TRP A NE1 1 ATOM 2534 C CE2 . TRP A 1 340 ? 21.112 -4.906 39.428 1.00 33.18 ? 479 TRP A CE2 1 ATOM 2535 C CE3 . TRP A 1 340 ? 18.783 -4.945 40.074 1.00 26.52 ? 479 TRP A CE3 1 ATOM 2536 C CZ2 . TRP A 1 340 ? 21.505 -5.468 40.642 1.00 29.98 ? 479 TRP A CZ2 1 ATOM 2537 C CZ3 . TRP A 1 340 ? 19.175 -5.510 41.273 1.00 29.54 ? 479 TRP A CZ3 1 ATOM 2538 C CH2 . TRP A 1 340 ? 20.524 -5.766 41.547 1.00 32.08 ? 479 TRP A CH2 1 ATOM 2539 N N . ARG A 1 341 ? 16.320 -4.856 34.967 1.00 25.02 ? 480 ARG A N 1 ATOM 2540 C CA . ARG A 1 341 ? 15.329 -4.714 33.904 1.00 34.34 ? 480 ARG A CA 1 ATOM 2541 C C . ARG A 1 341 ? 13.936 -5.085 34.398 1.00 32.17 ? 480 ARG A C 1 ATOM 2542 O O . ARG A 1 341 ? 12.946 -4.469 34.008 1.00 37.79 ? 480 ARG A O 1 ATOM 2543 C CB . ARG A 1 341 ? 15.691 -5.589 32.698 1.00 22.37 ? 480 ARG A CB 1 ATOM 2544 C CG . ARG A 1 341 ? 16.891 -5.100 31.907 1.00 32.46 ? 480 ARG A CG 1 ATOM 2545 C CD . ARG A 1 341 ? 17.144 -5.966 30.678 1.00 30.19 ? 480 ARG A CD 1 ATOM 2546 N NE . ARG A 1 341 ? 18.270 -5.465 29.894 1.00 39.96 ? 480 ARG A NE 1 ATOM 2547 C CZ . ARG A 1 341 ? 19.495 -5.977 29.931 1.00 49.36 ? 480 ARG A CZ 1 ATOM 2548 N NH1 . ARG A 1 341 ? 19.759 -7.021 30.706 1.00 59.12 ? 480 ARG A NH1 1 ATOM 2549 N NH2 . ARG A 1 341 ? 20.457 -5.454 29.186 1.00 63.06 ? 480 ARG A NH2 1 ATOM 2550 N N . SER A 1 342 ? 13.867 -6.093 35.264 1.00 25.32 ? 481 SER A N 1 ATOM 2551 C CA . SER A 1 342 ? 12.592 -6.571 35.785 1.00 28.93 ? 481 SER A CA 1 ATOM 2552 C C . SER A 1 342 ? 11.880 -5.511 36.628 1.00 29.62 ? 481 SER A C 1 ATOM 2553 O O . SER A 1 342 ? 10.687 -5.625 36.898 1.00 29.00 ? 481 SER A O 1 ATOM 2554 C CB . SER A 1 342 ? 12.788 -7.851 36.601 1.00 25.26 ? 481 SER A CB 1 ATOM 2555 O OG . SER A 1 342 ? 13.540 -7.599 37.774 1.00 32.19 ? 481 SER A OG 1 ATOM 2556 N N . GLU A 1 343 ? 12.619 -4.484 37.037 1.00 30.96 ? 482 GLU A N 1 ATOM 2557 C CA . GLU A 1 343 ? 12.054 -3.402 37.833 1.00 33.04 ? 482 GLU A CA 1 ATOM 2558 C C . GLU A 1 343 ? 12.038 -2.075 37.069 1.00 22.42 ? 482 GLU A C 1 ATOM 2559 O O . GLU A 1 343 ? 11.238 -1.190 37.368 1.00 43.61 ? 482 GLU A O 1 ATOM 2560 C CB . GLU A 1 343 ? 12.832 -3.246 39.142 1.00 31.85 ? 482 GLU A CB 1 ATOM 2561 C CG . GLU A 1 343 ? 12.726 -4.445 40.075 1.00 26.73 ? 482 GLU A CG 1 ATOM 2562 C CD . GLU A 1 343 ? 11.326 -4.628 40.636 1.00 34.52 ? 482 GLU A CD 1 ATOM 2563 O OE1 . GLU A 1 343 ? 10.665 -3.611 40.938 1.00 39.31 ? 482 GLU A OE1 1 ATOM 2564 O OE2 . GLU A 1 343 ? 10.884 -5.788 40.768 1.00 40.35 ? 482 GLU A OE2 1 ATOM 2565 N N . LEU A 1 344 ? 12.920 -1.946 36.082 1.00 25.12 ? 483 LEU A N 1 ATOM 2566 C CA . LEU A 1 344 ? 13.070 -0.695 35.341 1.00 29.89 ? 483 LEU A CA 1 ATOM 2567 C C . LEU A 1 344 ? 12.378 -0.709 33.979 1.00 34.90 ? 483 LEU A C 1 ATOM 2568 O O . LEU A 1 344 ? 12.531 0.228 33.194 1.00 33.56 ? 483 LEU A O 1 ATOM 2569 C CB . LEU A 1 344 ? 14.553 -0.363 35.157 1.00 24.50 ? 483 LEU A CB 1 ATOM 2570 C CG . LEU A 1 344 ? 15.314 0.085 36.407 1.00 32.66 ? 483 LEU A CG 1 ATOM 2571 C CD1 . LEU A 1 344 ? 16.818 0.083 36.158 1.00 22.73 ? 483 LEU A CD1 1 ATOM 2572 C CD2 . LEU A 1 344 ? 14.844 1.463 36.840 1.00 24.45 ? 483 LEU A CD2 1 ATOM 2573 N N . TYR A 1 345 ? 11.613 -1.762 33.707 1.00 27.82 ? 484 TYR A N 1 ATOM 2574 C CA . TYR A 1 345 ? 11.016 -1.967 32.387 1.00 25.72 ? 484 TYR A CA 1 ATOM 2575 C C . TYR A 1 345 ? 10.056 -0.854 31.950 1.00 27.58 ? 484 TYR A C 1 ATOM 2576 O O . TYR A 1 345 ? 9.917 -0.583 30.759 1.00 36.34 ? 484 TYR A O 1 ATOM 2577 C CB . TYR A 1 345 ? 10.303 -3.323 32.328 1.00 25.77 ? 484 TYR A CB 1 ATOM 2578 C CG . TYR A 1 345 ? 9.087 -3.414 33.222 1.00 33.41 ? 484 TYR A CG 1 ATOM 2579 C CD1 . TYR A 1 345 ? 9.207 -3.787 34.556 1.00 30.76 ? 484 TYR A CD1 1 ATOM 2580 C CD2 . TYR A 1 345 ? 7.819 -3.126 32.734 1.00 32.46 ? 484 TYR A CD2 1 ATOM 2581 C CE1 . TYR A 1 345 ? 8.099 -3.868 35.377 1.00 27.46 ? 484 TYR A CE1 1 ATOM 2582 C CE2 . TYR A 1 345 ? 6.705 -3.204 33.547 1.00 33.83 ? 484 TYR A CE2 1 ATOM 2583 C CZ . TYR A 1 345 ? 6.852 -3.574 34.867 1.00 33.80 ? 484 TYR A CZ 1 ATOM 2584 O OH . TYR A 1 345 ? 5.745 -3.654 35.679 1.00 38.62 ? 484 TYR A OH 1 ATOM 2585 N N . LYS A 1 346 ? 9.396 -0.215 32.910 1.00 34.55 ? 485 LYS A N 1 ATOM 2586 C CA . LYS A 1 346 ? 8.361 0.767 32.594 1.00 33.09 ? 485 LYS A CA 1 ATOM 2587 C C . LYS A 1 346 ? 8.873 2.204 32.535 1.00 27.98 ? 485 LYS A C 1 ATOM 2588 O O . LYS A 1 346 ? 8.091 3.137 32.349 1.00 39.25 ? 485 LYS A O 1 ATOM 2589 C CB . LYS A 1 346 ? 7.214 0.677 33.605 1.00 38.17 ? 485 LYS A CB 1 ATOM 2590 C CG . LYS A 1 346 ? 7.627 0.980 35.035 1.00 44.56 ? 485 LYS A CG 1 ATOM 2591 C CD . LYS A 1 346 ? 6.418 1.083 35.952 1.00 45.68 ? 485 LYS A CD 1 ATOM 2592 C CE . LYS A 1 346 ? 5.609 -0.199 35.950 1.00 53.31 ? 485 LYS A CE 1 ATOM 2593 N NZ . LYS A 1 346 ? 4.413 -0.097 36.830 1.00 62.44 ? 485 LYS A NZ 1 ATOM 2594 N N . TYR A 1 347 ? 10.180 2.384 32.695 1.00 23.30 ? 486 TYR A N 1 ATOM 2595 C CA . TYR A 1 347 ? 10.754 3.723 32.733 1.00 34.18 ? 486 TYR A CA 1 ATOM 2596 C C . TYR A 1 347 ? 11.664 3.997 31.542 1.00 35.89 ? 486 TYR A C 1 ATOM 2597 O O . TYR A 1 347 ? 12.312 3.090 31.019 1.00 35.52 ? 486 TYR A O 1 ATOM 2598 C CB . TYR A 1 347 ? 11.554 3.937 34.022 1.00 25.60 ? 486 TYR A CB 1 ATOM 2599 C CG . TYR A 1 347 ? 10.785 3.697 35.303 1.00 33.05 ? 486 TYR A CG 1 ATOM 2600 C CD1 . TYR A 1 347 ? 9.922 4.659 35.812 1.00 28.89 ? 486 TYR A CD1 1 ATOM 2601 C CD2 . TYR A 1 347 ? 10.946 2.517 36.019 1.00 34.96 ? 486 TYR A CD2 1 ATOM 2602 C CE1 . TYR A 1 347 ? 9.228 4.446 36.991 1.00 23.31 ? 486 TYR A CE1 1 ATOM 2603 C CE2 . TYR A 1 347 ? 10.257 2.294 37.195 1.00 28.60 ? 486 TYR A CE2 1 ATOM 2604 C CZ . TYR A 1 347 ? 9.400 3.260 37.677 1.00 30.03 ? 486 TYR A CZ 1 ATOM 2605 O OH . TYR A 1 347 ? 8.716 3.032 38.849 1.00 30.41 ? 486 TYR A OH 1 ATOM 2606 N N . LYS A 1 348 ? 11.707 5.259 31.127 1.00 32.92 ? 487 LYS A N 1 ATOM 2607 C CA . LYS A 1 348 ? 12.700 5.723 30.166 1.00 37.79 ? 487 LYS A CA 1 ATOM 2608 C C . LYS A 1 348 ? 12.942 7.216 30.364 1.00 41.37 ? 487 LYS A C 1 ATOM 2609 O O . LYS A 1 348 ? 12.056 7.946 30.810 1.00 43.92 ? 487 LYS A O 1 ATOM 2610 C CB . LYS A 1 348 ? 12.269 5.432 28.726 1.00 37.74 ? 487 LYS A CB 1 ATOM 2611 C CG . LYS A 1 348 ? 11.179 6.346 28.196 1.00 46.67 ? 487 LYS A CG 1 ATOM 2612 C CD . LYS A 1 348 ? 10.980 6.142 26.703 1.00 53.17 ? 487 LYS A CD 1 ATOM 2613 C CE . LYS A 1 348 ? 10.001 7.153 26.134 1.00 64.74 ? 487 LYS A CE 1 ATOM 2614 N NZ . LYS A 1 348 ? 9.817 6.981 24.665 1.00 64.50 ? 487 LYS A NZ 1 ATOM 2615 N N . VAL A 1 349 ? 14.149 7.663 30.043 1.00 37.16 ? 488 VAL A N 1 ATOM 2616 C CA . VAL A 1 349 ? 14.515 9.061 30.226 1.00 39.06 ? 488 VAL A CA 1 ATOM 2617 C C . VAL A 1 349 ? 14.317 9.853 28.937 1.00 45.37 ? 488 VAL A C 1 ATOM 2618 O O . VAL A 1 349 ? 14.728 9.417 27.862 1.00 43.01 ? 488 VAL A O 1 ATOM 2619 C CB . VAL A 1 349 ? 15.980 9.193 30.691 1.00 34.37 ? 488 VAL A CB 1 ATOM 2620 C CG1 . VAL A 1 349 ? 16.405 10.653 30.729 1.00 32.53 ? 488 VAL A CG1 1 ATOM 2621 C CG2 . VAL A 1 349 ? 16.164 8.541 32.055 1.00 30.85 ? 488 VAL A CG2 1 ATOM 2622 N N . VAL A 1 350 ? 13.671 11.010 29.049 1.00 40.75 ? 489 VAL A N 1 ATOM 2623 C CA . VAL A 1 350 ? 13.562 11.931 27.926 1.00 39.16 ? 489 VAL A CA 1 ATOM 2624 C C . VAL A 1 350 ? 14.116 13.303 28.295 1.00 48.43 ? 489 VAL A C 1 ATOM 2625 O O . VAL A 1 350 ? 14.098 13.699 29.462 1.00 48.29 ? 489 VAL A O 1 ATOM 2626 C CB . VAL A 1 350 ? 12.110 12.081 27.427 1.00 42.75 ? 489 VAL A CB 1 ATOM 2627 C CG1 . VAL A 1 350 ? 11.604 10.765 26.858 1.00 38.15 ? 489 VAL A CG1 1 ATOM 2628 C CG2 . VAL A 1 350 ? 11.207 12.579 28.544 1.00 52.63 ? 489 VAL A CG2 1 ATOM 2629 N N . GLN A 1 351 ? 14.616 14.021 27.295 1.00 50.50 ? 490 GLN A N 1 ATOM 2630 C CA . GLN A 1 351 ? 15.151 15.358 27.506 1.00 49.76 ? 490 GLN A CA 1 ATOM 2631 C C . GLN A 1 351 ? 14.083 16.411 27.237 1.00 53.30 ? 490 GLN A C 1 ATOM 2632 O O . GLN A 1 351 ? 13.540 16.486 26.136 1.00 54.78 ? 490 GLN A O 1 ATOM 2633 C CB . GLN A 1 351 ? 16.365 15.600 26.607 1.00 42.48 ? 490 GLN A CB 1 ATOM 2634 C CG . GLN A 1 351 ? 16.962 16.990 26.736 1.00 45.65 ? 490 GLN A CG 1 ATOM 2635 C CD . GLN A 1 351 ? 18.202 17.176 25.884 1.00 49.28 ? 490 GLN A CD 1 ATOM 2636 O OE1 . GLN A 1 351 ? 19.005 16.257 25.726 1.00 47.79 ? 490 GLN A OE1 1 ATOM 2637 N NE2 . GLN A 1 351 ? 18.360 18.368 25.323 1.00 54.71 ? 490 GLN A NE2 1 ATOM 2638 N N . ILE A 1 352 ? 13.783 17.220 28.248 1.00 53.93 ? 491 ILE A N 1 ATOM 2639 C CA . ILE A 1 352 ? 12.777 18.267 28.115 1.00 61.71 ? 491 ILE A CA 1 ATOM 2640 C C . ILE A 1 352 ? 13.320 19.457 27.334 1.00 78.02 ? 491 ILE A C 1 ATOM 2641 O O . ILE A 1 352 ? 14.338 20.043 27.702 1.00 84.29 ? 491 ILE A O 1 ATOM 2642 C CB . ILE A 1 352 ? 12.267 18.738 29.489 1.00 69.01 ? 491 ILE A CB 1 ATOM 2643 C CG1 . ILE A 1 352 ? 11.535 17.598 30.198 1.00 69.39 ? 491 ILE A CG1 1 ATOM 2644 C CG2 . ILE A 1 352 ? 11.346 19.938 29.334 1.00 77.84 ? 491 ILE A CG2 1 ATOM 2645 C CD1 . ILE A 1 352 ? 10.377 17.035 29.403 1.00 71.86 ? 491 ILE A CD1 1 ATOM 2646 N N . GLU A 1 353 ? 12.632 19.807 26.253 1.00 88.11 ? 492 GLU A N 1 ATOM 2647 C CA . GLU A 1 353 ? 13.075 20.879 25.373 1.00 102.53 ? 492 GLU A CA 1 ATOM 2648 C C . GLU A 1 353 ? 12.017 21.970 25.250 1.00 98.47 ? 492 GLU A C 1 ATOM 2649 O O . GLU A 1 353 ? 11.982 22.906 26.049 1.00 95.68 ? 492 GLU A O 1 ATOM 2650 C CB . GLU A 1 353 ? 13.411 20.314 23.991 1.00 116.71 ? 492 GLU A CB 1 ATOM 2651 C CG . GLU A 1 353 ? 14.476 19.230 24.014 1.00 124.41 ? 492 GLU A CG 1 ATOM 2652 C CD . GLU A 1 353 ? 14.512 18.422 22.732 1.00 132.14 ? 492 GLU A CD 1 ATOM 2653 O OE1 . GLU A 1 353 ? 13.449 17.909 22.321 1.00 130.43 ? 492 GLU A OE1 1 ATOM 2654 O OE2 . GLU A 1 353 ? 15.602 18.301 22.135 1.00 139.46 ? 492 GLU A OE2 1 ATOM 2655 N N . VAL B 1 1 ? -31.542 -0.486 12.617 1.00 115.88 ? 44 VAL B N 1 ATOM 2656 C CA . VAL B 1 1 ? -31.964 -1.685 11.903 1.00 113.69 ? 44 VAL B CA 1 ATOM 2657 C C . VAL B 1 1 ? -30.798 -2.256 11.096 1.00 104.96 ? 44 VAL B C 1 ATOM 2658 O O . VAL B 1 1 ? -29.864 -1.535 10.742 1.00 110.12 ? 44 VAL B O 1 ATOM 2659 C CB . VAL B 1 1 ? -33.173 -1.394 10.978 1.00 103.56 ? 44 VAL B CB 1 ATOM 2660 C CG1 . VAL B 1 1 ? -32.729 -0.644 9.730 1.00 102.27 ? 44 VAL B CG1 1 ATOM 2661 C CG2 . VAL B 1 1 ? -33.900 -2.681 10.608 1.00 103.51 ? 44 VAL B CG2 1 ATOM 2662 N N . TRP B 1 2 ? -30.844 -3.556 10.823 1.00 92.51 ? 45 TRP B N 1 ATOM 2663 C CA . TRP B 1 2 ? -29.796 -4.209 10.050 1.00 87.51 ? 45 TRP B CA 1 ATOM 2664 C C . TRP B 1 2 ? -30.363 -5.295 9.143 1.00 87.74 ? 45 TRP B C 1 ATOM 2665 O O . TRP B 1 2 ? -31.492 -5.749 9.332 1.00 93.73 ? 45 TRP B O 1 ATOM 2666 C CB . TRP B 1 2 ? -28.732 -4.800 10.977 1.00 80.51 ? 45 TRP B CB 1 ATOM 2667 C CG . TRP B 1 2 ? -29.274 -5.795 11.956 1.00 85.32 ? 45 TRP B CG 1 ATOM 2668 C CD1 . TRP B 1 2 ? -29.532 -7.116 11.726 1.00 86.29 ? 45 TRP B CD1 1 ATOM 2669 C CD2 . TRP B 1 2 ? -29.621 -5.552 13.324 1.00 91.54 ? 45 TRP B CD2 1 ATOM 2670 N NE1 . TRP B 1 2 ? -30.021 -7.708 12.865 1.00 89.12 ? 45 TRP B NE1 1 ATOM 2671 C CE2 . TRP B 1 2 ? -30.084 -6.769 13.861 1.00 89.57 ? 45 TRP B CE2 1 ATOM 2672 C CE3 . TRP B 1 2 ? -29.585 -4.422 14.148 1.00 98.67 ? 45 TRP B CE3 1 ATOM 2673 C CZ2 . TRP B 1 2 ? -30.509 -6.889 15.183 1.00 89.93 ? 45 TRP B CZ2 1 ATOM 2674 C CZ3 . TRP B 1 2 ? -30.008 -4.544 15.459 1.00 101.73 ? 45 TRP B CZ3 1 ATOM 2675 C CH2 . TRP B 1 2 ? -30.463 -5.768 15.964 1.00 97.40 ? 45 TRP B CH2 1 ATOM 2676 N N . LYS B 1 3 ? -29.570 -5.707 8.160 1.00 79.47 ? 46 LYS B N 1 ATOM 2677 C CA . LYS B 1 3 ? -29.964 -6.769 7.245 1.00 76.04 ? 46 LYS B CA 1 ATOM 2678 C C . LYS B 1 3 ? -28.778 -7.686 6.967 1.00 76.64 ? 46 LYS B C 1 ATOM 2679 O O . LYS B 1 3 ? -27.627 -7.257 7.036 1.00 71.84 ? 46 LYS B O 1 ATOM 2680 C CB . LYS B 1 3 ? -30.487 -6.182 5.932 1.00 77.43 ? 46 LYS B CB 1 ATOM 2681 C CG . LYS B 1 3 ? -29.430 -5.461 5.108 1.00 80.34 ? 46 LYS B CG 1 ATOM 2682 C CD . LYS B 1 3 ? -29.970 -5.046 3.748 1.00 88.42 ? 46 LYS B CD 1 ATOM 2683 C CE . LYS B 1 3 ? -28.881 -4.421 2.889 1.00 84.07 ? 46 LYS B CE 1 ATOM 2684 N NZ . LYS B 1 3 ? -29.385 -4.032 1.541 1.00 86.04 ? 46 LYS B NZ 1 ATOM 2685 N N . ASP B 1 4 ? -29.064 -8.946 6.657 1.00 75.47 ? 47 ASP B N 1 ATOM 2686 C CA . ASP B 1 4 ? -28.013 -9.901 6.321 1.00 74.53 ? 47 ASP B CA 1 ATOM 2687 C C . ASP B 1 4 ? -27.336 -9.488 5.020 1.00 77.69 ? 47 ASP B C 1 ATOM 2688 O O . ASP B 1 4 ? -27.999 -9.280 4.004 1.00 79.77 ? 47 ASP B O 1 ATOM 2689 C CB . ASP B 1 4 ? -28.587 -11.312 6.195 1.00 79.94 ? 47 ASP B CB 1 ATOM 2690 C CG . ASP B 1 4 ? -29.305 -11.763 7.450 1.00 83.87 ? 47 ASP B CG 1 ATOM 2691 O OD1 . ASP B 1 4 ? -29.028 -11.199 8.528 1.00 81.99 ? 47 ASP B OD1 1 ATOM 2692 O OD2 . ASP B 1 4 ? -30.146 -12.682 7.360 1.00 87.94 ? 47 ASP B OD2 1 ATOM 2693 N N . ALA B 1 5 ? -26.013 -9.364 5.056 1.00 74.62 ? 48 ALA B N 1 ATOM 2694 C CA . ALA B 1 5 ? -25.269 -8.895 3.895 1.00 69.49 ? 48 ALA B CA 1 ATOM 2695 C C . ALA B 1 5 ? -23.907 -9.567 3.766 1.00 66.24 ? 48 ALA B C 1 ATOM 2696 O O . ALA B 1 5 ? -23.375 -10.113 4.732 1.00 61.38 ? 48 ALA B O 1 ATOM 2697 C CB . ALA B 1 5 ? -25.106 -7.382 3.950 1.00 60.53 ? 48 ALA B CB 1 ATOM 2698 N N . ASP B 1 6 ? -23.354 -9.522 2.559 1.00 71.02 ? 49 ASP B N 1 ATOM 2699 C CA . ASP B 1 6 ? -22.011 -10.025 2.306 1.00 64.04 ? 49 ASP B CA 1 ATOM 2700 C C . ASP B 1 6 ? -21.096 -8.870 1.923 1.00 52.94 ? 49 ASP B C 1 ATOM 2701 O O . ASP B 1 6 ? -21.436 -8.059 1.064 1.00 58.21 ? 49 ASP B O 1 ATOM 2702 C CB . ASP B 1 6 ? -22.027 -11.075 1.194 1.00 63.24 ? 49 ASP B CB 1 ATOM 2703 C CG . ASP B 1 6 ? -22.766 -12.334 1.592 1.00 61.97 ? 49 ASP B CG 1 ATOM 2704 O OD1 . ASP B 1 6 ? -22.792 -12.652 2.801 1.00 56.85 ? 49 ASP B OD1 1 ATOM 2705 O OD2 . ASP B 1 6 ? -23.321 -13.008 0.698 1.00 68.28 ? 49 ASP B OD2 1 ATOM 2706 N N . THR B 1 7 ? -19.937 -8.795 2.569 1.00 60.04 ? 50 THR B N 1 ATOM 2707 C CA . THR B 1 7 ? -18.977 -7.738 2.283 1.00 63.07 ? 50 THR B CA 1 ATOM 2708 C C . THR B 1 7 ? -17.549 -8.251 2.390 1.00 58.04 ? 50 THR B C 1 ATOM 2709 O O . THR B 1 7 ? -17.317 -9.403 2.757 1.00 56.17 ? 50 THR B O 1 ATOM 2710 C CB . THR B 1 7 ? -19.150 -6.540 3.235 1.00 67.31 ? 50 THR B CB 1 ATOM 2711 O OG1 . THR B 1 7 ? -18.300 -5.465 2.814 1.00 75.97 ? 50 THR B OG1 1 ATOM 2712 C CG2 . THR B 1 7 ? -18.794 -6.936 4.660 1.00 59.26 ? 50 THR B CG2 1 ATOM 2713 N N . THR B 1 8 ? -16.593 -7.387 2.070 1.00 60.64 ? 51 THR B N 1 ATOM 2714 C CA . THR B 1 8 ? -15.183 -7.742 2.144 1.00 58.14 ? 51 THR B CA 1 ATOM 2715 C C . THR B 1 8 ? -14.685 -7.697 3.584 1.00 51.67 ? 51 THR B C 1 ATOM 2716 O O . THR B 1 8 ? -14.568 -6.623 4.177 1.00 61.54 ? 51 THR B O 1 ATOM 2717 C CB . THR B 1 8 ? -14.323 -6.802 1.282 1.00 64.70 ? 51 THR B CB 1 ATOM 2718 O OG1 . THR B 1 8 ? -14.508 -5.449 1.718 1.00 65.88 ? 51 THR B OG1 1 ATOM 2719 C CG2 . THR B 1 8 ? -14.717 -6.913 -0.184 1.00 68.05 ? 51 THR B CG2 1 ATOM 2720 N N . LEU B 1 9 ? -14.402 -8.867 4.143 1.00 41.24 ? 52 LEU B N 1 ATOM 2721 C CA . LEU B 1 9 ? -13.869 -8.963 5.495 1.00 48.23 ? 52 LEU B CA 1 ATOM 2722 C C . LEU B 1 9 ? -12.364 -8.747 5.485 1.00 52.41 ? 52 LEU B C 1 ATOM 2723 O O . LEU B 1 9 ? -11.703 -8.960 4.467 1.00 42.14 ? 52 LEU B O 1 ATOM 2724 C CB . LEU B 1 9 ? -14.171 -10.338 6.096 1.00 45.67 ? 52 LEU B CB 1 ATOM 2725 C CG . LEU B 1 9 ? -15.630 -10.790 6.177 1.00 50.11 ? 52 LEU B CG 1 ATOM 2726 C CD1 . LEU B 1 9 ? -15.718 -12.188 6.765 1.00 47.68 ? 52 LEU B CD1 1 ATOM 2727 C CD2 . LEU B 1 9 ? -16.451 -9.809 6.995 1.00 52.80 ? 52 LEU B CD2 1 ATOM 2728 N N . PHE B 1 10 ? -11.823 -8.319 6.620 1.00 41.93 ? 53 PHE B N 1 ATOM 2729 C CA . PHE B 1 10 ? -10.379 -8.291 6.794 1.00 36.79 ? 53 PHE B CA 1 ATOM 2730 C C . PHE B 1 10 ? -9.993 -9.197 7.955 1.00 40.54 ? 53 PHE B C 1 ATOM 2731 O O . PHE B 1 10 ? -10.847 -9.611 8.738 1.00 40.29 ? 53 PHE B O 1 ATOM 2732 C CB . PHE B 1 10 ? -9.854 -6.863 6.989 1.00 40.42 ? 53 PHE B CB 1 ATOM 2733 C CG . PHE B 1 10 ? -10.327 -6.194 8.252 1.00 47.78 ? 53 PHE B CG 1 ATOM 2734 C CD1 . PHE B 1 10 ? -11.522 -5.492 8.274 1.00 48.57 ? 53 PHE B CD1 1 ATOM 2735 C CD2 . PHE B 1 10 ? -9.563 -6.242 9.407 1.00 54.23 ? 53 PHE B CD2 1 ATOM 2736 C CE1 . PHE B 1 10 ? -11.954 -4.864 9.431 1.00 44.27 ? 53 PHE B CE1 1 ATOM 2737 C CE2 . PHE B 1 10 ? -9.988 -5.618 10.566 1.00 46.72 ? 53 PHE B CE2 1 ATOM 2738 C CZ . PHE B 1 10 ? -11.187 -4.925 10.578 1.00 43.67 ? 53 PHE B CZ 1 ATOM 2739 N N . CYS B 1 11 ? -8.710 -9.522 8.054 1.00 38.43 ? 54 CYS B N 1 ATOM 2740 C CA . CYS B 1 11 ? -8.250 -10.413 9.107 1.00 32.75 ? 54 CYS B CA 1 ATOM 2741 C C . CYS B 1 11 ? -7.362 -9.696 10.119 1.00 34.20 ? 54 CYS B C 1 ATOM 2742 O O . CYS B 1 11 ? -6.781 -8.649 9.827 1.00 32.62 ? 54 CYS B O 1 ATOM 2743 C CB . CYS B 1 11 ? -7.519 -11.621 8.514 1.00 32.89 ? 54 CYS B CB 1 ATOM 2744 S SG . CYS B 1 11 ? -6.086 -11.207 7.495 1.00 44.71 ? 54 CYS B SG 1 ATOM 2745 N N . ALA B 1 12 ? -7.278 -10.266 11.316 1.00 33.71 ? 55 ALA B N 1 ATOM 2746 C CA . ALA B 1 12 ? -6.394 -9.755 12.354 1.00 37.10 ? 55 ALA B CA 1 ATOM 2747 C C . ALA B 1 12 ? -5.686 -10.918 13.034 1.00 35.55 ? 55 ALA B C 1 ATOM 2748 O O . ALA B 1 12 ? -6.258 -11.999 13.181 1.00 35.48 ? 55 ALA B O 1 ATOM 2749 C CB . ALA B 1 12 ? -7.172 -8.931 13.367 1.00 38.30 ? 55 ALA B CB 1 ATOM 2750 N N . SER B 1 13 ? -4.439 -10.700 13.442 1.00 37.59 ? 56 SER B N 1 ATOM 2751 C CA . SER B 1 13 ? -3.656 -11.755 14.074 1.00 44.30 ? 56 SER B CA 1 ATOM 2752 C C . SER B 1 13 ? -2.525 -11.182 14.916 1.00 45.92 ? 56 SER B C 1 ATOM 2753 O O . SER B 1 13 ? -2.266 -9.978 14.893 1.00 48.12 ? 56 SER B O 1 ATOM 2754 C CB . SER B 1 13 ? -3.073 -12.695 13.021 1.00 40.27 ? 56 SER B CB 1 ATOM 2755 O OG . SER B 1 13 ? -1.914 -12.128 12.435 1.00 38.46 ? 56 SER B OG 1 ATOM 2756 N N . ASP B 1 14 ? -1.852 -12.059 15.653 1.00 41.25 ? 57 ASP B N 1 ATOM 2757 C CA . ASP B 1 14 ? -0.696 -11.676 16.450 1.00 39.45 ? 57 ASP B CA 1 ATOM 2758 C C . ASP B 1 14 ? 0.583 -12.236 15.832 1.00 44.96 ? 57 ASP B C 1 ATOM 2759 O O . ASP B 1 14 ? 1.483 -12.683 16.542 1.00 52.02 ? 57 ASP B O 1 ATOM 2760 C CB . ASP B 1 14 ? -0.849 -12.171 17.889 1.00 50.69 ? 57 ASP B CB 1 ATOM 2761 C CG . ASP B 1 14 ? -2.023 -11.531 18.603 1.00 61.57 ? 57 ASP B CG 1 ATOM 2762 O OD1 . ASP B 1 14 ? -2.353 -10.370 18.280 1.00 67.60 ? 57 ASP B OD1 1 ATOM 2763 O OD2 . ASP B 1 14 ? -2.616 -12.185 19.487 1.00 64.11 ? 57 ASP B OD2 1 ATOM 2764 N N . ALA B 1 15 ? 0.652 -12.206 14.504 1.00 42.88 ? 58 ALA B N 1 ATOM 2765 C CA . ALA B 1 15 ? 1.807 -12.730 13.781 1.00 47.28 ? 58 ALA B CA 1 ATOM 2766 C C . ALA B 1 15 ? 3.048 -11.871 13.996 1.00 50.45 ? 58 ALA B C 1 ATOM 2767 O O . ALA B 1 15 ? 2.948 -10.685 14.315 1.00 49.08 ? 58 ALA B O 1 ATOM 2768 C CB . ALA B 1 15 ? 1.494 -12.844 12.295 1.00 44.59 ? 58 ALA B CB 1 ATOM 2769 N N . LYS B 1 16 ? 4.216 -12.479 13.816 1.00 49.74 ? 59 LYS B N 1 ATOM 2770 C CA . LYS B 1 16 ? 5.484 -11.773 13.961 1.00 54.43 ? 59 LYS B CA 1 ATOM 2771 C C . LYS B 1 16 ? 6.123 -11.521 12.599 1.00 58.79 ? 59 LYS B C 1 ATOM 2772 O O . LYS B 1 16 ? 6.139 -12.402 11.738 1.00 53.13 ? 59 LYS B O 1 ATOM 2773 C CB . LYS B 1 16 ? 6.436 -12.562 14.862 1.00 58.68 ? 59 LYS B CB 1 ATOM 2774 C CG . LYS B 1 16 ? 5.917 -12.769 16.275 1.00 66.78 ? 59 LYS B CG 1 ATOM 2775 C CD . LYS B 1 16 ? 6.929 -13.508 17.136 1.00 83.35 ? 59 LYS B CD 1 ATOM 2776 C CE . LYS B 1 16 ? 6.453 -13.620 18.576 1.00 92.05 ? 59 LYS B CE 1 ATOM 2777 N NZ . LYS B 1 16 ? 7.462 -14.285 19.448 1.00 91.53 ? 59 LYS B NZ 1 ATOM 2778 N N . ALA B 1 17 ? 6.657 -10.318 12.413 1.00 61.35 ? 60 ALA B N 1 ATOM 2779 C CA . ALA B 1 17 ? 7.192 -9.903 11.121 1.00 56.51 ? 60 ALA B CA 1 ATOM 2780 C C . ALA B 1 17 ? 8.605 -10.423 10.857 1.00 64.17 ? 60 ALA B C 1 ATOM 2781 O O . ALA B 1 17 ? 9.183 -10.155 9.803 1.00 73.02 ? 60 ALA B O 1 ATOM 2782 C CB . ALA B 1 17 ? 7.156 -8.385 10.998 1.00 55.26 ? 60 ALA B CB 1 ATOM 2783 N N . HIS B 1 18 ? 9.158 -11.162 11.811 1.00 62.96 ? 61 HIS B N 1 ATOM 2784 C CA . HIS B 1 18 ? 10.507 -11.702 11.662 1.00 73.75 ? 61 HIS B CA 1 ATOM 2785 C C . HIS B 1 18 ? 10.491 -13.209 11.425 1.00 60.88 ? 61 HIS B C 1 ATOM 2786 O O . HIS B 1 18 ? 11.508 -13.799 11.057 1.00 61.14 ? 61 HIS B O 1 ATOM 2787 C CB . HIS B 1 18 ? 11.355 -11.375 12.891 1.00 97.71 ? 61 HIS B CB 1 ATOM 2788 C CG . HIS B 1 18 ? 10.789 -11.902 14.174 1.00 107.98 ? 61 HIS B CG 1 ATOM 2789 N ND1 . HIS B 1 18 ? 10.195 -11.088 15.115 1.00 111.62 ? 61 HIS B ND1 1 ATOM 2790 C CD2 . HIS B 1 18 ? 10.726 -13.160 14.671 1.00 109.45 ? 61 HIS B CD2 1 ATOM 2791 C CE1 . HIS B 1 18 ? 9.792 -11.822 16.136 1.00 113.05 ? 61 HIS B CE1 1 ATOM 2792 N NE2 . HIS B 1 18 ? 10.102 -13.083 15.892 1.00 110.88 ? 61 HIS B NE2 1 ATOM 2793 N N . GLU B 1 19 ? 9.334 -13.825 11.641 1.00 55.64 ? 62 GLU B N 1 ATOM 2794 C CA . GLU B 1 19 ? 9.187 -15.272 11.510 1.00 51.52 ? 62 GLU B CA 1 ATOM 2795 C C . GLU B 1 19 ? 9.294 -15.751 10.067 1.00 48.62 ? 62 GLU B C 1 ATOM 2796 O O . GLU B 1 19 ? 8.790 -15.107 9.148 1.00 57.46 ? 62 GLU B O 1 ATOM 2797 C CB . GLU B 1 19 ? 7.845 -15.721 12.094 1.00 41.34 ? 62 GLU B CB 1 ATOM 2798 C CG . GLU B 1 19 ? 7.858 -15.996 13.589 1.00 64.84 ? 62 GLU B CG 1 ATOM 2799 C CD . GLU B 1 19 ? 8.320 -17.404 13.922 1.00 74.52 ? 62 GLU B CD 1 ATOM 2800 O OE1 . GLU B 1 19 ? 8.118 -17.835 15.078 1.00 83.72 ? 62 GLU B OE1 1 ATOM 2801 O OE2 . GLU B 1 19 ? 8.881 -18.079 13.034 1.00 65.52 ? 62 GLU B OE2 1 ATOM 2802 N N . THR B 1 20 ? 9.951 -16.891 9.877 1.00 42.19 ? 63 THR B N 1 ATOM 2803 C CA . THR B 1 20 ? 9.978 -17.551 8.578 1.00 38.71 ? 63 THR B CA 1 ATOM 2804 C C . THR B 1 20 ? 8.811 -18.528 8.463 1.00 49.00 ? 63 THR B C 1 ATOM 2805 O O . THR B 1 20 ? 8.535 -19.054 7.384 1.00 40.56 ? 63 THR B O 1 ATOM 2806 C CB . THR B 1 20 ? 11.301 -18.305 8.338 1.00 53.43 ? 63 THR B CB 1 ATOM 2807 O OG1 . THR B 1 20 ? 11.574 -19.166 9.451 1.00 58.53 ? 63 THR B OG1 1 ATOM 2808 C CG2 . THR B 1 20 ? 12.452 -17.325 8.166 1.00 52.66 ? 63 THR B CG2 1 ATOM 2809 N N . GLU B 1 21 ? 8.131 -18.767 9.584 1.00 36.91 ? 64 GLU B N 1 ATOM 2810 C CA . GLU B 1 21 ? 6.956 -19.632 9.599 1.00 43.79 ? 64 GLU B CA 1 ATOM 2811 C C . GLU B 1 21 ? 5.879 -19.039 8.693 1.00 39.58 ? 64 GLU B C 1 ATOM 2812 O O . GLU B 1 21 ? 5.551 -17.858 8.796 1.00 35.79 ? 64 GLU B O 1 ATOM 2813 C CB . GLU B 1 21 ? 6.438 -19.816 11.030 1.00 32.39 ? 64 GLU B CB 1 ATOM 2814 C CG . GLU B 1 21 ? 5.483 -20.990 11.211 1.00 36.58 ? 64 GLU B CG 1 ATOM 2815 C CD . GLU B 1 21 ? 4.097 -20.711 10.664 1.00 43.84 ? 64 GLU B CD 1 ATOM 2816 O OE1 . GLU B 1 21 ? 3.571 -19.607 10.917 1.00 37.24 ? 64 GLU B OE1 1 ATOM 2817 O OE2 . GLU B 1 21 ? 3.539 -21.590 9.974 1.00 41.20 ? 64 GLU B OE2 1 ATOM 2818 N N . VAL B 1 22 ? 5.330 -19.873 7.814 1.00 37.18 ? 65 VAL B N 1 ATOM 2819 C CA . VAL B 1 22 ? 4.511 -19.397 6.696 1.00 32.49 ? 65 VAL B CA 1 ATOM 2820 C C . VAL B 1 22 ? 3.209 -18.690 7.079 1.00 28.68 ? 65 VAL B C 1 ATOM 2821 O O . VAL B 1 22 ? 2.824 -17.715 6.436 1.00 32.66 ? 65 VAL B O 1 ATOM 2822 C CB . VAL B 1 22 ? 4.223 -20.525 5.680 1.00 35.32 ? 65 VAL B CB 1 ATOM 2823 C CG1 . VAL B 1 22 ? 5.517 -20.978 5.019 1.00 35.35 ? 65 VAL B CG1 1 ATOM 2824 C CG2 . VAL B 1 22 ? 3.525 -21.697 6.357 1.00 35.29 ? 65 VAL B CG2 1 ATOM 2825 N N . HIS B 1 23 ? 2.531 -19.173 8.117 1.00 34.21 ? 66 HIS B N 1 ATOM 2826 C CA . HIS B 1 23 ? 1.301 -18.532 8.568 1.00 36.94 ? 66 HIS B CA 1 ATOM 2827 C C . HIS B 1 23 ? 1.581 -17.124 9.086 1.00 37.44 ? 66 HIS B C 1 ATOM 2828 O O . HIS B 1 23 ? 0.832 -16.189 8.800 1.00 33.51 ? 66 HIS B O 1 ATOM 2829 C CB . HIS B 1 23 ? 0.606 -19.368 9.643 1.00 35.78 ? 66 HIS B CB 1 ATOM 2830 C CG . HIS B 1 23 ? 0.091 -20.682 9.144 1.00 35.87 ? 66 HIS B CG 1 ATOM 2831 N ND1 . HIS B 1 23 ? 0.883 -21.806 9.053 1.00 41.15 ? 66 HIS B ND1 1 ATOM 2832 C CD2 . HIS B 1 23 ? -1.135 -21.050 8.701 1.00 35.23 ? 66 HIS B CD2 1 ATOM 2833 C CE1 . HIS B 1 23 ? 0.167 -22.811 8.581 1.00 36.59 ? 66 HIS B CE1 1 ATOM 2834 N NE2 . HIS B 1 23 ? -1.061 -22.378 8.358 1.00 34.63 ? 66 HIS B NE2 1 ATOM 2835 N N . ASN B 1 24 ? 2.665 -16.982 9.843 1.00 29.69 ? 67 ASN B N 1 ATOM 2836 C CA . ASN B 1 24 ? 3.102 -15.675 10.323 1.00 38.20 ? 67 ASN B CA 1 ATOM 2837 C C . ASN B 1 24 ? 3.413 -14.720 9.179 1.00 33.73 ? 67 ASN B C 1 ATOM 2838 O O . ASN B 1 24 ? 2.995 -13.561 9.196 1.00 39.93 ? 67 ASN B O 1 ATOM 2839 C CB . ASN B 1 24 ? 4.329 -15.813 11.226 1.00 37.67 ? 67 ASN B CB 1 ATOM 2840 C CG . ASN B 1 24 ? 3.974 -16.276 12.621 1.00 37.03 ? 67 ASN B CG 1 ATOM 2841 O OD1 . ASN B 1 24 ? 3.793 -15.463 13.528 1.00 42.00 ? 67 ASN B OD1 1 ATOM 2842 N ND2 . ASN B 1 24 ? 3.870 -17.587 12.803 1.00 38.14 ? 67 ASN B ND2 1 ATOM 2843 N N . VAL B 1 25 ? 4.152 -15.215 8.189 1.00 40.56 ? 68 VAL B N 1 ATOM 2844 C CA . VAL B 1 25 ? 4.523 -14.421 7.021 1.00 41.20 ? 68 VAL B CA 1 ATOM 2845 C C . VAL B 1 25 ? 3.290 -13.916 6.282 1.00 43.58 ? 68 VAL B C 1 ATOM 2846 O O . VAL B 1 25 ? 3.183 -12.729 5.971 1.00 45.40 ? 68 VAL B O 1 ATOM 2847 C CB . VAL B 1 25 ? 5.389 -15.236 6.038 1.00 38.40 ? 68 VAL B CB 1 ATOM 2848 C CG1 . VAL B 1 25 ? 5.612 -14.457 4.747 1.00 36.67 ? 68 VAL B CG1 1 ATOM 2849 C CG2 . VAL B 1 25 ? 6.715 -15.610 6.680 1.00 33.99 ? 68 VAL B CG2 1 ATOM 2850 N N . TRP B 1 26 ? 2.360 -14.827 6.009 1.00 39.81 ? 69 TRP B N 1 ATOM 2851 C CA . TRP B 1 26 ? 1.138 -14.483 5.295 1.00 38.31 ? 69 TRP B CA 1 ATOM 2852 C C . TRP B 1 26 ? 0.312 -13.458 6.066 1.00 39.99 ? 69 TRP B C 1 ATOM 2853 O O . TRP B 1 26 ? -0.161 -12.478 5.494 1.00 43.02 ? 69 TRP B O 1 ATOM 2854 C CB . TRP B 1 26 ? 0.298 -15.735 5.021 1.00 39.62 ? 69 TRP B CB 1 ATOM 2855 C CG . TRP B 1 26 ? -0.961 -15.445 4.261 1.00 42.47 ? 69 TRP B CG 1 ATOM 2856 C CD1 . TRP B 1 26 ? -1.111 -15.409 2.904 1.00 41.92 ? 69 TRP B CD1 1 ATOM 2857 C CD2 . TRP B 1 26 ? -2.246 -15.138 4.815 1.00 43.11 ? 69 TRP B CD2 1 ATOM 2858 N NE1 . TRP B 1 26 ? -2.410 -15.102 2.579 1.00 38.52 ? 69 TRP B NE1 1 ATOM 2859 C CE2 . TRP B 1 26 ? -3.127 -14.931 3.734 1.00 44.47 ? 69 TRP B CE2 1 ATOM 2860 C CE3 . TRP B 1 26 ? -2.737 -15.020 6.119 1.00 42.23 ? 69 TRP B CE3 1 ATOM 2861 C CZ2 . TRP B 1 26 ? -4.472 -14.614 3.918 1.00 41.32 ? 69 TRP B CZ2 1 ATOM 2862 C CZ3 . TRP B 1 26 ? -4.072 -14.706 6.299 1.00 34.53 ? 69 TRP B CZ3 1 ATOM 2863 C CH2 . TRP B 1 26 ? -4.923 -14.506 5.205 1.00 36.91 ? 69 TRP B CH2 1 ATOM 2864 N N . ALA B 1 27 ? 0.149 -13.687 7.366 1.00 37.33 ? 70 ALA B N 1 ATOM 2865 C CA . ALA B 1 27 ? -0.650 -12.801 8.206 1.00 32.26 ? 70 ALA B CA 1 ATOM 2866 C C . ALA B 1 27 ? 0.018 -11.439 8.398 1.00 37.86 ? 70 ALA B C 1 ATOM 2867 O O . ALA B 1 27 ? -0.660 -10.426 8.556 1.00 40.56 ? 70 ALA B O 1 ATOM 2868 C CB . ALA B 1 27 ? -0.932 -13.454 9.552 1.00 31.38 ? 70 ALA B CB 1 ATOM 2869 N N . THR B 1 28 ? 1.348 -11.426 8.388 1.00 41.07 ? 71 THR B N 1 ATOM 2870 C CA . THR B 1 28 ? 2.105 -10.180 8.485 1.00 38.70 ? 71 THR B CA 1 ATOM 2871 C C . THR B 1 28 ? 1.773 -9.271 7.303 1.00 51.14 ? 71 THR B C 1 ATOM 2872 O O . THR B 1 28 ? 1.682 -8.049 7.446 1.00 46.67 ? 71 THR B O 1 ATOM 2873 C CB . THR B 1 28 ? 3.628 -10.451 8.521 1.00 41.43 ? 71 THR B CB 1 ATOM 2874 O OG1 . THR B 1 28 ? 3.966 -11.139 9.733 1.00 46.10 ? 71 THR B OG1 1 ATOM 2875 C CG2 . THR B 1 28 ? 4.419 -9.153 8.451 1.00 40.59 ? 71 THR B CG2 1 ATOM 2876 N N . HIS B 1 29 ? 1.571 -9.881 6.140 1.00 51.33 ? 72 HIS B N 1 ATOM 2877 C CA . HIS B 1 29 ? 1.291 -9.137 4.918 1.00 54.72 ? 72 HIS B CA 1 ATOM 2878 C C . HIS B 1 29 ? -0.203 -8.981 4.641 1.00 44.08 ? 72 HIS B C 1 ATOM 2879 O O . HIS B 1 29 ? -0.610 -8.069 3.924 1.00 44.36 ? 72 HIS B O 1 ATOM 2880 C CB . HIS B 1 29 ? 1.967 -9.813 3.723 1.00 57.24 ? 72 HIS B CB 1 ATOM 2881 C CG . HIS B 1 29 ? 3.463 -9.802 3.789 1.00 66.78 ? 72 HIS B CG 1 ATOM 2882 N ND1 . HIS B 1 29 ? 4.230 -10.895 3.447 1.00 65.90 ? 72 HIS B ND1 1 ATOM 2883 C CD2 . HIS B 1 29 ? 4.333 -8.830 4.152 1.00 73.18 ? 72 HIS B CD2 1 ATOM 2884 C CE1 . HIS B 1 29 ? 5.509 -10.598 3.601 1.00 70.52 ? 72 HIS B CE1 1 ATOM 2885 N NE2 . HIS B 1 29 ? 5.598 -9.351 4.027 1.00 74.70 ? 72 HIS B NE2 1 ATOM 2886 N N . ALA B 1 30 ? -1.020 -9.865 5.209 1.00 36.22 ? 73 ALA B N 1 ATOM 2887 C CA . ALA B 1 30 ? -2.444 -9.882 4.880 1.00 46.78 ? 73 ALA B CA 1 ATOM 2888 C C . ALA B 1 30 ? -3.365 -9.408 6.006 1.00 47.11 ? 73 ALA B C 1 ATOM 2889 O O . ALA B 1 30 ? -4.536 -9.121 5.766 1.00 43.69 ? 73 ALA B O 1 ATOM 2890 C CB . ALA B 1 30 ? -2.863 -11.271 4.405 1.00 34.62 ? 73 ALA B CB 1 ATOM 2891 N N . CYS B 1 31 ? -2.843 -9.322 7.225 1.00 46.97 ? 74 CYS B N 1 ATOM 2892 C CA . CYS B 1 31 ? -3.681 -8.989 8.375 1.00 37.76 ? 74 CYS B CA 1 ATOM 2893 C C . CYS B 1 31 ? -3.194 -7.771 9.159 1.00 42.31 ? 74 CYS B C 1 ATOM 2894 O O . CYS B 1 31 ? -2.085 -7.279 8.949 1.00 40.73 ? 74 CYS B O 1 ATOM 2895 C CB . CYS B 1 31 ? -3.797 -10.193 9.316 1.00 39.48 ? 74 CYS B CB 1 ATOM 2896 S SG . CYS B 1 31 ? -4.410 -11.704 8.532 1.00 41.65 ? 74 CYS B SG 1 ATOM 2897 N N . VAL B 1 32 ? -4.046 -7.297 10.064 1.00 34.71 ? 75 VAL B N 1 ATOM 2898 C CA . VAL B 1 32 ? -3.722 -6.193 10.960 1.00 38.05 ? 75 VAL B CA 1 ATOM 2899 C C . VAL B 1 32 ? -3.570 -6.738 12.385 1.00 40.13 ? 75 VAL B C 1 ATOM 2900 O O . VAL B 1 32 ? -3.900 -7.895 12.635 1.00 34.69 ? 75 VAL B O 1 ATOM 2901 C CB . VAL B 1 32 ? -4.830 -5.116 10.925 1.00 45.75 ? 75 VAL B CB 1 ATOM 2902 C CG1 . VAL B 1 32 ? -4.911 -4.481 9.545 1.00 42.60 ? 75 VAL B CG1 1 ATOM 2903 C CG2 . VAL B 1 32 ? -6.170 -5.714 11.330 1.00 44.48 ? 75 VAL B CG2 1 ATOM 2904 N N . PRO B 1 33 ? -3.045 -5.923 13.318 1.00 44.66 ? 76 PRO B N 1 ATOM 2905 C CA . PRO B 1 33 ? -2.980 -6.401 14.704 1.00 40.14 ? 76 PRO B CA 1 ATOM 2906 C C . PRO B 1 33 ? -4.362 -6.610 15.325 1.00 49.64 ? 76 PRO B C 1 ATOM 2907 O O . PRO B 1 33 ? -5.326 -5.963 14.916 1.00 50.64 ? 76 PRO B O 1 ATOM 2908 C CB . PRO B 1 33 ? -2.253 -5.265 15.429 1.00 44.53 ? 76 PRO B CB 1 ATOM 2909 C CG . PRO B 1 33 ? -1.432 -4.614 14.372 1.00 51.55 ? 76 PRO B CG 1 ATOM 2910 C CD . PRO B 1 33 ? -2.268 -4.683 13.129 1.00 47.86 ? 76 PRO B CD 1 ATOM 2911 N N . THR B 1 34 ? -4.449 -7.508 16.302 1.00 47.82 ? 77 THR B N 1 ATOM 2912 C CA . THR B 1 34 ? -5.704 -7.752 17.002 1.00 44.75 ? 77 THR B CA 1 ATOM 2913 C C . THR B 1 34 ? -5.986 -6.652 18.014 1.00 47.56 ? 77 THR B C 1 ATOM 2914 O O . THR B 1 34 ? -5.092 -5.894 18.390 1.00 53.08 ? 77 THR B O 1 ATOM 2915 C CB . THR B 1 34 ? -5.690 -9.095 17.755 1.00 38.09 ? 77 THR B CB 1 ATOM 2916 O OG1 . THR B 1 34 ? -4.672 -9.069 18.764 1.00 51.92 ? 77 THR B OG1 1 ATOM 2917 C CG2 . THR B 1 34 ? -5.426 -10.244 16.800 1.00 35.49 ? 77 THR B CG2 1 ATOM 2918 N N . ASP B 1 35 ? -7.238 -6.577 18.454 1.00 53.37 ? 78 ASP B N 1 ATOM 2919 C CA . ASP B 1 35 ? -7.638 -5.646 19.501 1.00 55.26 ? 78 ASP B CA 1 ATOM 2920 C C . ASP B 1 35 ? -7.539 -6.356 20.847 1.00 61.53 ? 78 ASP B C 1 ATOM 2921 O O . ASP B 1 35 ? -8.207 -7.366 21.067 1.00 62.03 ? 78 ASP B O 1 ATOM 2922 C CB . ASP B 1 35 ? -9.072 -5.168 19.257 1.00 55.41 ? 78 ASP B CB 1 ATOM 2923 C CG . ASP B 1 35 ? -9.453 -3.975 20.121 1.00 66.21 ? 78 ASP B CG 1 ATOM 2924 O OD1 . ASP B 1 35 ? -8.978 -3.878 21.271 1.00 72.72 ? 78 ASP B OD1 1 ATOM 2925 O OD2 . ASP B 1 35 ? -10.240 -3.131 19.643 1.00 73.60 ? 78 ASP B OD2 1 ATOM 2926 N N . PRO B 1 36 ? -6.698 -5.832 21.751 1.00 73.33 ? 79 PRO B N 1 ATOM 2927 C CA . PRO B 1 36 ? -6.510 -6.427 23.080 1.00 78.93 ? 79 PRO B CA 1 ATOM 2928 C C . PRO B 1 36 ? -7.775 -6.346 23.931 1.00 84.79 ? 79 PRO B C 1 ATOM 2929 O O . PRO B 1 36 ? -7.993 -7.203 24.787 1.00 94.88 ? 79 PRO B O 1 ATOM 2930 C CB . PRO B 1 36 ? -5.399 -5.570 23.695 1.00 80.60 ? 79 PRO B CB 1 ATOM 2931 C CG . PRO B 1 36 ? -5.467 -4.275 22.961 1.00 81.70 ? 79 PRO B CG 1 ATOM 2932 C CD . PRO B 1 36 ? -5.863 -4.633 21.562 1.00 80.03 ? 79 PRO B CD 1 ATOM 2933 N N . ASN B 1 37 ? -8.595 -5.327 23.693 1.00 79.26 ? 80 ASN B N 1 ATOM 2934 C CA . ASN B 1 37 ? -9.857 -5.178 24.410 1.00 82.34 ? 80 ASN B CA 1 ATOM 2935 C C . ASN B 1 37 ? -11.035 -4.949 23.467 1.00 76.10 ? 80 ASN B C 1 ATOM 2936 O O . ASN B 1 37 ? -11.541 -3.832 23.362 1.00 81.92 ? 80 ASN B O 1 ATOM 2937 C CB . ASN B 1 37 ? -9.766 -4.037 25.426 1.00 94.62 ? 80 ASN B CB 1 ATOM 2938 C CG . ASN B 1 37 ? -8.814 -4.347 26.566 1.00 99.89 ? 80 ASN B CG 1 ATOM 2939 O OD1 . ASN B 1 37 ? -8.708 -5.491 27.008 1.00 95.94 ? 80 ASN B OD1 1 ATOM 2940 N ND2 . ASN B 1 37 ? -8.118 -3.326 27.050 1.00 109.28 ? 80 ASN B ND2 1 ATOM 2941 N N . PRO B 1 38 ? -11.479 -6.015 22.781 1.00 67.01 ? 81 PRO B N 1 ATOM 2942 C CA . PRO B 1 38 ? -12.584 -5.916 21.821 1.00 62.54 ? 81 PRO B CA 1 ATOM 2943 C C . PRO B 1 38 ? -13.924 -5.681 22.509 1.00 67.45 ? 81 PRO B C 1 ATOM 2944 O O . PRO B 1 38 ? -14.139 -6.143 23.631 1.00 76.70 ? 81 PRO B O 1 ATOM 2945 C CB . PRO B 1 38 ? -12.574 -7.287 21.141 1.00 52.08 ? 81 PRO B CB 1 ATOM 2946 C CG . PRO B 1 38 ? -12.004 -8.201 22.164 1.00 57.35 ? 81 PRO B CG 1 ATOM 2947 C CD . PRO B 1 38 ? -10.971 -7.393 22.895 1.00 56.46 ? 81 PRO B CD 1 ATOM 2948 N N . GLN B 1 39 ? -14.815 -4.967 21.831 1.00 66.31 ? 82 GLN B N 1 ATOM 2949 C CA . GLN B 1 39 ? -16.122 -4.640 22.383 1.00 72.98 ? 82 GLN B CA 1 ATOM 2950 C C . GLN B 1 39 ? -17.189 -5.626 21.920 1.00 77.49 ? 82 GLN B C 1 ATOM 2951 O O . GLN B 1 39 ? -17.353 -5.862 20.722 1.00 81.68 ? 82 GLN B O 1 ATOM 2952 C CB . GLN B 1 39 ? -16.513 -3.212 21.995 1.00 73.55 ? 82 GLN B CB 1 ATOM 2953 C CG . GLN B 1 39 ? -17.928 -2.819 22.380 1.00 83.47 ? 82 GLN B CG 1 ATOM 2954 C CD . GLN B 1 39 ? -18.221 -1.360 22.085 1.00 97.35 ? 82 GLN B CD 1 ATOM 2955 O OE1 . GLN B 1 39 ? -19.317 -1.011 21.647 1.00 101.03 ? 82 GLN B OE1 1 ATOM 2956 N NE2 . GLN B 1 39 ? -17.241 -0.498 22.329 1.00 101.86 ? 82 GLN B NE2 1 ATOM 2957 N N . GLU B 1 40 ? -17.909 -6.203 22.877 1.00 81.78 ? 83 GLU B N 1 ATOM 2958 C CA . GLU B 1 40 ? -19.006 -7.113 22.567 1.00 73.02 ? 83 GLU B CA 1 ATOM 2959 C C . GLU B 1 40 ? -20.313 -6.615 23.175 1.00 74.94 ? 83 GLU B C 1 ATOM 2960 O O . GLU B 1 40 ? -20.420 -6.443 24.390 1.00 74.26 ? 83 GLU B O 1 ATOM 2961 C CB . GLU B 1 40 ? -18.698 -8.528 23.062 1.00 63.99 ? 83 GLU B CB 1 ATOM 2962 C CG . GLU B 1 40 ? -19.847 -9.504 22.869 1.00 61.51 ? 83 GLU B CG 1 ATOM 2963 C CD . GLU B 1 40 ? -19.457 -10.936 23.171 1.00 62.96 ? 83 GLU B CD 1 ATOM 2964 O OE1 . GLU B 1 40 ? -18.317 -11.162 23.630 1.00 67.40 ? 83 GLU B OE1 1 ATOM 2965 O OE2 . GLU B 1 40 ? -20.292 -11.838 22.944 1.00 60.19 ? 83 GLU B OE2 1 ATOM 2966 N N . ILE B 1 41 ? -21.304 -6.387 22.321 1.00 74.09 ? 84 ILE B N 1 ATOM 2967 C CA . ILE B 1 41 ? -22.594 -5.868 22.760 1.00 71.51 ? 84 ILE B CA 1 ATOM 2968 C C . ILE B 1 41 ? -23.692 -6.917 22.633 1.00 68.09 ? 84 ILE B C 1 ATOM 2969 O O . ILE B 1 41 ? -24.039 -7.332 21.529 1.00 68.07 ? 84 ILE B O 1 ATOM 2970 C CB . ILE B 1 41 ? -23.006 -4.632 21.939 1.00 74.81 ? 84 ILE B CB 1 ATOM 2971 C CG1 . ILE B 1 41 ? -21.938 -3.542 22.037 1.00 79.55 ? 84 ILE B CG1 1 ATOM 2972 C CG2 . ILE B 1 41 ? -24.355 -4.111 22.405 1.00 67.64 ? 84 ILE B CG2 1 ATOM 2973 C CD1 . ILE B 1 41 ? -22.269 -2.297 21.241 1.00 80.12 ? 84 ILE B CD1 1 ATOM 2974 N N . HIS B 1 42 ? -24.239 -7.341 23.769 1.00 69.25 ? 85 HIS B N 1 ATOM 2975 C CA . HIS B 1 42 ? -25.362 -8.270 23.766 1.00 71.00 ? 85 HIS B CA 1 ATOM 2976 C C . HIS B 1 42 ? -26.644 -7.561 23.350 1.00 66.76 ? 85 HIS B C 1 ATOM 2977 O O . HIS B 1 42 ? -27.098 -6.634 24.021 1.00 70.86 ? 85 HIS B O 1 ATOM 2978 C CB . HIS B 1 42 ? -25.544 -8.912 25.143 1.00 78.35 ? 85 HIS B CB 1 ATOM 2979 C CG . HIS B 1 42 ? -26.856 -9.614 25.311 1.00 86.37 ? 85 HIS B CG 1 ATOM 2980 N ND1 . HIS B 1 42 ? -27.328 -10.538 24.404 1.00 86.20 ? 85 HIS B ND1 1 ATOM 2981 C CD2 . HIS B 1 42 ? -27.799 -9.523 26.279 1.00 91.57 ? 85 HIS B CD2 1 ATOM 2982 C CE1 . HIS B 1 42 ? -28.503 -10.988 24.807 1.00 86.27 ? 85 HIS B CE1 1 ATOM 2983 N NE2 . HIS B 1 42 ? -28.812 -10.388 25.943 1.00 92.42 ? 85 HIS B NE2 1 ATOM 2984 N N . LEU B 1 43 ? -27.222 -7.998 22.236 1.00 70.74 ? 86 LEU B N 1 ATOM 2985 C CA . LEU B 1 43 ? -28.454 -7.407 21.733 1.00 76.09 ? 86 LEU B CA 1 ATOM 2986 C C . LEU B 1 43 ? -29.650 -7.933 22.522 1.00 78.74 ? 86 LEU B C 1 ATOM 2987 O O . LEU B 1 43 ? -30.015 -9.102 22.407 1.00 74.14 ? 86 LEU B O 1 ATOM 2988 C CB . LEU B 1 43 ? -28.618 -7.702 20.242 1.00 76.55 ? 86 LEU B CB 1 ATOM 2989 C CG . LEU B 1 43 ? -27.436 -7.303 19.354 1.00 73.14 ? 86 LEU B CG 1 ATOM 2990 C CD1 . LEU B 1 43 ? -27.782 -7.483 17.883 1.00 73.91 ? 86 LEU B CD1 1 ATOM 2991 C CD2 . LEU B 1 43 ? -26.999 -5.872 19.637 1.00 64.34 ? 86 LEU B CD2 1 ATOM 2992 N N . GLU B 1 44 ? -30.252 -7.056 23.319 1.00 91.14 ? 87 GLU B N 1 ATOM 2993 C CA . GLU B 1 44 ? -31.317 -7.445 24.240 1.00 95.64 ? 87 GLU B CA 1 ATOM 2994 C C . GLU B 1 44 ? -32.599 -7.866 23.524 1.00 94.49 ? 87 GLU B C 1 ATOM 2995 O O . GLU B 1 44 ? -33.141 -7.116 22.712 1.00 99.09 ? 87 GLU B O 1 ATOM 2996 C CB . GLU B 1 44 ? -31.614 -6.308 25.220 1.00 104.02 ? 87 GLU B CB 1 ATOM 2997 C CG . GLU B 1 44 ? -32.482 -6.720 26.396 1.00 117.41 ? 87 GLU B CG 1 ATOM 2998 C CD . GLU B 1 44 ? -31.814 -7.764 27.269 1.00 123.34 ? 87 GLU B CD 1 ATOM 2999 O OE1 . GLU B 1 44 ? -32.258 -8.931 27.249 1.00 124.29 ? 87 GLU B OE1 1 ATOM 3000 O OE2 . GLU B 1 44 ? -30.846 -7.417 27.978 1.00 125.86 ? 87 GLU B OE2 1 ATOM 3001 N N . ASN B 1 45 ? -33.073 -9.068 23.843 1.00 88.54 ? 88 ASN B N 1 ATOM 3002 C CA . ASN B 1 45 ? -34.301 -9.620 23.266 1.00 89.10 ? 88 ASN B CA 1 ATOM 3003 C C . ASN B 1 45 ? -34.330 -9.635 21.740 1.00 89.52 ? 88 ASN B C 1 ATOM 3004 O O . ASN B 1 45 ? -35.391 -9.503 21.131 1.00 96.68 ? 88 ASN B O 1 ATOM 3005 C CB . ASN B 1 45 ? -35.537 -8.900 23.815 1.00 97.66 ? 88 ASN B CB 1 ATOM 3006 C CG . ASN B 1 45 ? -35.895 -9.345 25.218 1.00 98.85 ? 88 ASN B CG 1 ATOM 3007 O OD1 . ASN B 1 45 ? -35.047 -9.844 25.960 1.00 98.87 ? 88 ASN B OD1 1 ATOM 3008 N ND2 . ASN B 1 45 ? -37.159 -9.172 25.590 1.00 108.13 ? 88 ASN B ND2 1 ATOM 3009 N N . VAL B 1 46 ? -33.162 -9.801 21.129 1.00 88.49 ? 89 VAL B N 1 ATOM 3010 C CA . VAL B 1 46 ? -33.069 -9.865 19.677 1.00 91.28 ? 89 VAL B CA 1 ATOM 3011 C C . VAL B 1 46 ? -32.879 -11.304 19.211 1.00 86.79 ? 89 VAL B C 1 ATOM 3012 O O . VAL B 1 46 ? -31.810 -11.888 19.380 1.00 88.19 ? 89 VAL B O 1 ATOM 3013 C CB . VAL B 1 46 ? -31.919 -8.991 19.141 1.00 89.50 ? 89 VAL B CB 1 ATOM 3014 C CG1 . VAL B 1 46 ? -31.752 -9.190 17.641 1.00 85.93 ? 89 VAL B CG1 1 ATOM 3015 C CG2 . VAL B 1 46 ? -32.175 -7.526 19.463 1.00 91.76 ? 89 VAL B CG2 1 ATOM 3016 N N . THR B 1 47 ? -33.931 -11.874 18.633 1.00 85.73 ? 90 THR B N 1 ATOM 3017 C CA . THR B 1 47 ? -33.866 -13.223 18.090 1.00 83.35 ? 90 THR B CA 1 ATOM 3018 C C . THR B 1 47 ? -33.478 -13.166 16.618 1.00 87.15 ? 90 THR B C 1 ATOM 3019 O O . THR B 1 47 ? -34.201 -12.599 15.798 1.00 96.29 ? 90 THR B O 1 ATOM 3020 C CB . THR B 1 47 ? -35.206 -13.962 18.240 1.00 86.60 ? 90 THR B CB 1 ATOM 3021 O OG1 . THR B 1 47 ? -35.586 -13.993 19.623 1.00 90.89 ? 90 THR B OG1 1 ATOM 3022 C CG2 . THR B 1 47 ? -35.090 -15.387 17.719 1.00 80.58 ? 90 THR B CG2 1 ATOM 3023 N N . GLU B 1 48 ? -32.334 -13.753 16.290 1.00 80.44 ? 91 GLU B N 1 ATOM 3024 C CA . GLU B 1 48 ? -31.793 -13.665 14.940 1.00 80.92 ? 91 GLU B CA 1 ATOM 3025 C C . GLU B 1 48 ? -31.600 -15.043 14.314 1.00 75.00 ? 91 GLU B C 1 ATOM 3026 O O . GLU B 1 48 ? -31.254 -16.004 15.001 1.00 70.21 ? 91 GLU B O 1 ATOM 3027 C CB . GLU B 1 48 ? -30.466 -12.906 14.958 1.00 79.45 ? 91 GLU B CB 1 ATOM 3028 C CG . GLU B 1 48 ? -30.015 -12.407 13.602 1.00 85.11 ? 91 GLU B CG 1 ATOM 3029 C CD . GLU B 1 48 ? -30.819 -11.218 13.113 1.00 87.30 ? 91 GLU B CD 1 ATOM 3030 O OE1 . GLU B 1 48 ? -31.551 -10.615 13.927 1.00 93.81 ? 91 GLU B OE1 1 ATOM 3031 O OE2 . GLU B 1 48 ? -30.719 -10.885 11.914 1.00 87.34 ? 91 GLU B OE2 1 ATOM 3032 N N . ASN B 1 49 ? -31.827 -15.130 13.007 1.00 73.98 ? 92 ASN B N 1 ATOM 3033 C CA . ASN B 1 49 ? -31.691 -16.391 12.286 1.00 77.34 ? 92 ASN B CA 1 ATOM 3034 C C . ASN B 1 49 ? -30.293 -16.591 11.709 1.00 70.31 ? 92 ASN B C 1 ATOM 3035 O O . ASN B 1 49 ? -29.693 -15.660 11.172 1.00 67.22 ? 92 ASN B O 1 ATOM 3036 C CB . ASN B 1 49 ? -32.737 -16.487 11.174 1.00 84.69 ? 92 ASN B CB 1 ATOM 3037 C CG . ASN B 1 49 ? -34.149 -16.605 11.712 1.00 99.42 ? 92 ASN B CG 1 ATOM 3038 O OD1 . ASN B 1 49 ? -34.779 -15.605 12.060 1.00 105.87 ? 92 ASN B OD1 1 ATOM 3039 N ND2 . ASN B 1 49 ? -34.656 -17.830 11.781 1.00 104.34 ? 92 ASN B ND2 1 ATOM 3040 N N . PHE B 1 50 ? -29.783 -17.813 11.824 1.00 63.16 ? 93 PHE B N 1 ATOM 3041 C CA . PHE B 1 50 ? -28.456 -18.146 11.321 1.00 54.38 ? 93 PHE B CA 1 ATOM 3042 C C . PHE B 1 50 ? -28.505 -19.344 10.382 1.00 55.68 ? 93 PHE B C 1 ATOM 3043 O O . PHE B 1 50 ? -29.439 -20.146 10.429 1.00 59.13 ? 93 PHE B O 1 ATOM 3044 C CB . PHE B 1 50 ? -27.505 -18.458 12.479 1.00 55.72 ? 93 PHE B CB 1 ATOM 3045 C CG . PHE B 1 50 ? -27.123 -17.258 13.299 1.00 57.63 ? 93 PHE B CG 1 ATOM 3046 C CD1 . PHE B 1 50 ? -28.002 -16.727 14.229 1.00 62.92 ? 93 PHE B CD1 1 ATOM 3047 C CD2 . PHE B 1 50 ? -25.877 -16.673 13.151 1.00 58.08 ? 93 PHE B CD2 1 ATOM 3048 C CE1 . PHE B 1 50 ? -27.648 -15.627 14.988 1.00 63.81 ? 93 PHE B CE1 1 ATOM 3049 C CE2 . PHE B 1 50 ? -25.516 -15.573 13.906 1.00 56.91 ? 93 PHE B CE2 1 ATOM 3050 C CZ . PHE B 1 50 ? -26.404 -15.049 14.826 1.00 57.61 ? 93 PHE B CZ 1 ATOM 3051 N N . ASN B 1 51 ? -27.492 -19.461 9.530 1.00 57.94 ? 94 ASN B N 1 ATOM 3052 C CA . ASN B 1 51 ? -27.332 -20.633 8.679 1.00 59.08 ? 94 ASN B CA 1 ATOM 3053 C C . ASN B 1 51 ? -25.860 -20.864 8.350 1.00 62.33 ? 94 ASN B C 1 ATOM 3054 O O . ASN B 1 51 ? -25.281 -20.160 7.523 1.00 66.49 ? 94 ASN B O 1 ATOM 3055 C CB . ASN B 1 51 ? -28.155 -20.500 7.397 1.00 58.23 ? 94 ASN B CB 1 ATOM 3056 C CG . ASN B 1 51 ? -28.331 -21.826 6.675 1.00 61.09 ? 94 ASN B CG 1 ATOM 3057 O OD1 . ASN B 1 51 ? -27.485 -22.717 6.767 1.00 59.92 ? 94 ASN B OD1 1 ATOM 3058 N ND2 . ASN B 1 51 ? -29.437 -21.964 5.957 1.00 65.86 ? 94 ASN B ND2 1 ATOM 3059 N N . MET B 1 52 ? -25.269 -21.858 9.003 1.00 52.04 ? 95 MET B N 1 ATOM 3060 C CA . MET B 1 52 ? -23.846 -22.145 8.855 1.00 53.98 ? 95 MET B CA 1 ATOM 3061 C C . MET B 1 52 ? -23.501 -22.742 7.492 1.00 56.76 ? 95 MET B C 1 ATOM 3062 O O . MET B 1 52 ? -22.335 -22.768 7.097 1.00 48.17 ? 95 MET B O 1 ATOM 3063 C CB . MET B 1 52 ? -23.385 -23.097 9.962 1.00 45.81 ? 95 MET B CB 1 ATOM 3064 C CG . MET B 1 52 ? -24.103 -24.437 9.959 1.00 56.41 ? 95 MET B CG 1 ATOM 3065 S SD . MET B 1 52 ? -23.419 -25.604 11.151 1.00 54.16 ? 95 MET B SD 1 ATOM 3066 C CE . MET B 1 52 ? -21.754 -25.794 10.518 1.00 49.98 ? 95 MET B CE 1 ATOM 3067 N N . TRP B 1 53 ? -24.512 -23.221 6.778 1.00 63.84 ? 96 TRP B N 1 ATOM 3068 C CA . TRP B 1 53 ? -24.279 -23.923 5.520 1.00 61.95 ? 96 TRP B CA 1 ATOM 3069 C C . TRP B 1 53 ? -24.307 -23.002 4.302 1.00 64.84 ? 96 TRP B C 1 ATOM 3070 O O . TRP B 1 53 ? -23.811 -23.361 3.234 1.00 65.01 ? 96 TRP B O 1 ATOM 3071 C CB . TRP B 1 53 ? -25.261 -25.086 5.370 1.00 67.55 ? 96 TRP B CB 1 ATOM 3072 C CG . TRP B 1 53 ? -25.189 -26.021 6.531 1.00 65.72 ? 96 TRP B CG 1 ATOM 3073 C CD1 . TRP B 1 53 ? -26.100 -26.154 7.537 1.00 67.06 ? 96 TRP B CD1 1 ATOM 3074 C CD2 . TRP B 1 53 ? -24.125 -26.932 6.831 1.00 63.59 ? 96 TRP B CD2 1 ATOM 3075 N NE1 . TRP B 1 53 ? -25.678 -27.103 8.436 1.00 63.53 ? 96 TRP B NE1 1 ATOM 3076 C CE2 . TRP B 1 53 ? -24.468 -27.596 8.024 1.00 61.57 ? 96 TRP B CE2 1 ATOM 3077 C CE3 . TRP B 1 53 ? -22.920 -27.257 6.201 1.00 63.48 ? 96 TRP B CE3 1 ATOM 3078 C CZ2 . TRP B 1 53 ? -23.649 -28.565 8.602 1.00 62.40 ? 96 TRP B CZ2 1 ATOM 3079 C CZ3 . TRP B 1 53 ? -22.108 -28.219 6.775 1.00 61.58 ? 96 TRP B CZ3 1 ATOM 3080 C CH2 . TRP B 1 53 ? -22.477 -28.862 7.963 1.00 64.24 ? 96 TRP B CH2 1 ATOM 3081 N N . LYS B 1 54 ? -24.886 -21.816 4.466 1.00 54.31 ? 97 LYS B N 1 ATOM 3082 C CA . LYS B 1 54 ? -24.785 -20.778 3.444 1.00 54.84 ? 97 LYS B CA 1 ATOM 3083 C C . LYS B 1 54 ? -24.234 -19.485 4.042 1.00 51.28 ? 97 LYS B C 1 ATOM 3084 O O . LYS B 1 54 ? -24.947 -18.493 4.197 1.00 87.36 ? 97 LYS B O 1 ATOM 3085 C CB . LYS B 1 54 ? -26.121 -20.548 2.722 1.00 59.87 ? 97 LYS B CB 1 ATOM 3086 C CG . LYS B 1 54 ? -27.338 -20.363 3.618 1.00 105.47 ? 97 LYS B CG 1 ATOM 3087 C CD . LYS B 1 54 ? -28.533 -19.894 2.796 1.00 107.63 ? 97 LYS B CD 1 ATOM 3088 C CE . LYS B 1 54 ? -29.787 -19.747 3.641 1.00 103.46 ? 97 LYS B CE 1 ATOM 3089 N NZ . LYS B 1 54 ? -29.591 -18.811 4.782 1.00 94.15 ? 97 LYS B NZ 1 ATOM 3090 N N . ASN B 1 55 ? -22.949 -19.514 4.376 1.00 55.08 ? 98 ASN B N 1 ATOM 3091 C CA . ASN B 1 55 ? -22.288 -18.388 5.022 1.00 56.46 ? 98 ASN B CA 1 ATOM 3092 C C . ASN B 1 55 ? -21.054 -17.963 4.237 1.00 60.72 ? 98 ASN B C 1 ATOM 3093 O O . ASN B 1 55 ? -20.075 -18.706 4.158 1.00 61.32 ? 98 ASN B O 1 ATOM 3094 C CB . ASN B 1 55 ? -21.895 -18.767 6.452 1.00 48.79 ? 98 ASN B CB 1 ATOM 3095 C CG . ASN B 1 55 ? -21.523 -17.563 7.298 1.00 56.61 ? 98 ASN B CG 1 ATOM 3096 O OD1 . ASN B 1 55 ? -21.213 -16.491 6.779 1.00 59.33 ? 98 ASN B OD1 1 ATOM 3097 N ND2 . ASN B 1 55 ? -21.547 -17.740 8.614 1.00 56.81 ? 98 ASN B ND2 1 ATOM 3098 N N . ASN B 1 56 ? -21.101 -16.761 3.669 1.00 59.74 ? 99 ASN B N 1 ATOM 3099 C CA . ASN B 1 56 ? -20.012 -16.248 2.841 1.00 51.62 ? 99 ASN B CA 1 ATOM 3100 C C . ASN B 1 56 ? -18.696 -16.080 3.605 1.00 43.86 ? 99 ASN B C 1 ATOM 3101 O O . ASN B 1 56 ? -17.627 -15.981 3.000 1.00 43.99 ? 99 ASN B O 1 ATOM 3102 C CB . ASN B 1 56 ? -20.424 -14.930 2.173 1.00 56.81 ? 99 ASN B CB 1 ATOM 3103 C CG . ASN B 1 56 ? -19.376 -14.409 1.205 1.00 61.97 ? 99 ASN B CG 1 ATOM 3104 O OD1 . ASN B 1 56 ? -18.717 -13.403 1.468 1.00 58.32 ? 99 ASN B OD1 1 ATOM 3105 N ND2 . ASN B 1 56 ? -19.215 -15.098 0.082 1.00 65.40 ? 99 ASN B ND2 1 ATOM 3106 N N . MET B 1 57 ? -18.774 -16.055 4.933 1.00 41.79 ? 100 MET B N 1 ATOM 3107 C CA . MET B 1 57 ? -17.574 -15.993 5.761 1.00 43.91 ? 100 MET B CA 1 ATOM 3108 C C . MET B 1 57 ? -16.723 -17.242 5.553 1.00 42.24 ? 100 MET B C 1 ATOM 3109 O O . MET B 1 57 ? -15.495 -17.187 5.618 1.00 41.54 ? 100 MET B O 1 ATOM 3110 C CB . MET B 1 57 ? -17.939 -15.852 7.241 1.00 32.95 ? 100 MET B CB 1 ATOM 3111 C CG . MET B 1 57 ? -18.750 -14.610 7.571 1.00 66.17 ? 100 MET B CG 1 ATOM 3112 S SD . MET B 1 57 ? -19.162 -14.509 9.324 1.00 50.70 ? 100 MET B SD 1 ATOM 3113 C CE . MET B 1 57 ? -17.555 -14.139 10.025 1.00 42.14 ? 100 MET B CE 1 ATOM 3114 N N . VAL B 1 58 ? -17.388 -18.364 5.298 1.00 48.02 ? 101 VAL B N 1 ATOM 3115 C CA . VAL B 1 58 ? -16.705 -19.627 5.046 1.00 44.29 ? 101 VAL B CA 1 ATOM 3116 C C . VAL B 1 58 ? -15.904 -19.566 3.749 1.00 40.61 ? 101 VAL B C 1 ATOM 3117 O O . VAL B 1 58 ? -14.727 -19.932 3.721 1.00 46.50 ? 101 VAL B O 1 ATOM 3118 C CB . VAL B 1 58 ? -17.702 -20.800 4.981 1.00 46.01 ? 101 VAL B CB 1 ATOM 3119 C CG1 . VAL B 1 58 ? -16.995 -22.085 4.571 1.00 45.67 ? 101 VAL B CG1 1 ATOM 3120 C CG2 . VAL B 1 58 ? -18.400 -20.970 6.322 1.00 39.43 ? 101 VAL B CG2 1 ATOM 3121 N N . GLU B 1 59 ? -16.544 -19.099 2.681 1.00 40.52 ? 102 GLU B N 1 ATOM 3122 C CA . GLU B 1 59 ? -15.875 -18.949 1.392 1.00 42.34 ? 102 GLU B CA 1 ATOM 3123 C C . GLU B 1 59 ? -14.663 -18.028 1.499 1.00 48.69 ? 102 GLU B C 1 ATOM 3124 O O . GLU B 1 59 ? -13.602 -18.318 0.948 1.00 54.63 ? 102 GLU B O 1 ATOM 3125 C CB . GLU B 1 59 ? -16.843 -18.416 0.331 1.00 42.27 ? 102 GLU B CB 1 ATOM 3126 C CG . GLU B 1 59 ? -17.685 -19.483 -0.356 1.00 61.99 ? 102 GLU B CG 1 ATOM 3127 C CD . GLU B 1 59 ? -18.771 -20.047 0.539 1.00 68.30 ? 102 GLU B CD 1 ATOM 3128 O OE1 . GLU B 1 59 ? -19.252 -21.166 0.257 1.00 62.12 ? 102 GLU B OE1 1 ATOM 3129 O OE2 . GLU B 1 59 ? -19.149 -19.372 1.519 1.00 71.36 ? 102 GLU B OE2 1 ATOM 3130 N N . GLN B 1 60 ? -14.821 -16.924 2.222 1.00 42.49 ? 103 GLN B N 1 ATOM 3131 C CA . GLN B 1 60 ? -13.744 -15.947 2.355 1.00 49.66 ? 103 GLN B CA 1 ATOM 3132 C C . GLN B 1 60 ? -12.548 -16.483 3.143 1.00 47.06 ? 103 GLN B C 1 ATOM 3133 O O . GLN B 1 60 ? -11.400 -16.169 2.826 1.00 45.60 ? 103 GLN B O 1 ATOM 3134 C CB . GLN B 1 60 ? -14.261 -14.635 2.953 1.00 48.07 ? 103 GLN B CB 1 ATOM 3135 C CG . GLN B 1 60 ? -15.216 -13.886 2.027 1.00 50.20 ? 103 GLN B CG 1 ATOM 3136 C CD . GLN B 1 60 ? -15.509 -12.473 2.494 1.00 52.47 ? 103 GLN B CD 1 ATOM 3137 O OE1 . GLN B 1 60 ? -14.641 -11.793 3.042 1.00 48.73 ? 103 GLN B OE1 1 ATOM 3138 N NE2 . GLN B 1 60 ? -16.739 -12.023 2.278 1.00 50.56 ? 103 GLN B NE2 1 ATOM 3139 N N . MET B 1 61 ? -12.809 -17.297 4.162 1.00 36.56 ? 104 MET B N 1 ATOM 3140 C CA . MET B 1 61 ? -11.718 -17.927 4.894 1.00 31.79 ? 104 MET B CA 1 ATOM 3141 C C . MET B 1 61 ? -11.016 -18.945 4.004 1.00 36.78 ? 104 MET B C 1 ATOM 3142 O O . MET B 1 61 ? -9.787 -19.035 3.994 1.00 39.52 ? 104 MET B O 1 ATOM 3143 C CB . MET B 1 61 ? -12.214 -18.606 6.171 1.00 42.15 ? 104 MET B CB 1 ATOM 3144 C CG . MET B 1 61 ? -11.104 -19.334 6.916 1.00 44.67 ? 104 MET B CG 1 ATOM 3145 S SD . MET B 1 61 ? -11.546 -19.937 8.555 1.00 39.82 ? 104 MET B SD 1 ATOM 3146 C CE . MET B 1 61 ? -9.967 -20.601 9.078 1.00 43.94 ? 104 MET B CE 1 ATOM 3147 N N . GLN B 1 62 ? -11.814 -19.707 3.261 1.00 34.19 ? 105 GLN B N 1 ATOM 3148 C CA . GLN B 1 62 ? -11.299 -20.679 2.306 1.00 44.91 ? 105 GLN B CA 1 ATOM 3149 C C . GLN B 1 62 ? -10.351 -20.020 1.307 1.00 41.41 ? 105 GLN B C 1 ATOM 3150 O O . GLN B 1 62 ? -9.298 -20.567 0.985 1.00 43.73 ? 105 GLN B O 1 ATOM 3151 C CB . GLN B 1 62 ? -12.456 -21.356 1.566 1.00 38.81 ? 105 GLN B CB 1 ATOM 3152 C CG . GLN B 1 62 ? -12.034 -22.289 0.437 1.00 41.99 ? 105 GLN B CG 1 ATOM 3153 C CD . GLN B 1 62 ? -11.583 -23.654 0.929 1.00 58.29 ? 105 GLN B CD 1 ATOM 3154 O OE1 . GLN B 1 62 ? -11.063 -23.794 2.036 1.00 60.66 ? 105 GLN B OE1 1 ATOM 3155 N NE2 . GLN B 1 62 ? -11.790 -24.673 0.102 1.00 61.81 ? 105 GLN B NE2 1 ATOM 3156 N N . GLU B 1 63 ? -10.728 -18.837 0.833 1.00 41.86 ? 106 GLU B N 1 ATOM 3157 C CA . GLU B 1 63 ? -9.910 -18.092 -0.119 1.00 37.45 ? 106 GLU B CA 1 ATOM 3158 C C . GLU B 1 63 ? -8.554 -17.693 0.468 1.00 35.46 ? 106 GLU B C 1 ATOM 3159 O O . GLU B 1 63 ? -7.539 -17.729 -0.223 1.00 38.75 ? 106 GLU B O 1 ATOM 3160 C CB . GLU B 1 63 ? -10.671 -16.864 -0.624 1.00 36.30 ? 106 GLU B CB 1 ATOM 3161 C CG . GLU B 1 63 ? -11.866 -17.212 -1.502 1.00 72.18 ? 106 GLU B CG 1 ATOM 3162 C CD . GLU B 1 63 ? -12.853 -16.069 -1.638 1.00 79.30 ? 106 GLU B CD 1 ATOM 3163 O OE1 . GLU B 1 63 ? -12.599 -14.989 -1.066 1.00 83.12 ? 106 GLU B OE1 1 ATOM 3164 O OE2 . GLU B 1 63 ? -13.888 -16.253 -2.313 1.00 81.08 ? 106 GLU B OE2 1 ATOM 3165 N N . ASP B 1 64 ? -8.540 -17.320 1.745 1.00 33.20 ? 107 ASP B N 1 ATOM 3166 C CA . ASP B 1 64 ? -7.289 -17.004 2.429 1.00 39.00 ? 107 ASP B CA 1 ATOM 3167 C C . ASP B 1 64 ? -6.370 -18.216 2.516 1.00 40.96 ? 107 ASP B C 1 ATOM 3168 O O . ASP B 1 64 ? -5.193 -18.140 2.167 1.00 44.12 ? 107 ASP B O 1 ATOM 3169 C CB . ASP B 1 64 ? -7.555 -16.486 3.839 1.00 39.33 ? 107 ASP B CB 1 ATOM 3170 C CG . ASP B 1 64 ? -8.162 -15.105 3.846 1.00 46.21 ? 107 ASP B CG 1 ATOM 3171 O OD1 . ASP B 1 64 ? -8.219 -14.474 2.770 1.00 51.85 ? 107 ASP B OD1 1 ATOM 3172 O OD2 . ASP B 1 64 ? -8.566 -14.648 4.933 1.00 43.11 ? 107 ASP B OD2 1 ATOM 3173 N N . VAL B 1 65 ? -6.917 -19.329 2.997 1.00 35.75 ? 108 VAL B N 1 ATOM 3174 C CA . VAL B 1 65 ? -6.138 -20.545 3.196 1.00 29.82 ? 108 VAL B CA 1 ATOM 3175 C C . VAL B 1 65 ? -5.578 -21.064 1.876 1.00 31.70 ? 108 VAL B C 1 ATOM 3176 O O . VAL B 1 65 ? -4.432 -21.514 1.813 1.00 38.20 ? 108 VAL B O 1 ATOM 3177 C CB . VAL B 1 65 ? -6.974 -21.642 3.883 1.00 38.39 ? 108 VAL B CB 1 ATOM 3178 C CG1 . VAL B 1 65 ? -6.118 -22.871 4.160 1.00 36.52 ? 108 VAL B CG1 1 ATOM 3179 C CG2 . VAL B 1 65 ? -7.574 -21.111 5.178 1.00 31.37 ? 108 VAL B CG2 1 ATOM 3180 N N . ILE B 1 66 ? -6.387 -20.988 0.823 1.00 32.97 ? 109 ILE B N 1 ATOM 3181 C CA . ILE B 1 66 ? -5.934 -21.352 -0.515 1.00 43.57 ? 109 ILE B CA 1 ATOM 3182 C C . ILE B 1 66 ? -4.778 -20.446 -0.930 1.00 48.18 ? 109 ILE B C 1 ATOM 3183 O O . ILE B 1 66 ? -3.779 -20.906 -1.484 1.00 46.86 ? 109 ILE B O 1 ATOM 3184 C CB . ILE B 1 66 ? -7.077 -21.255 -1.547 1.00 44.18 ? 109 ILE B CB 1 ATOM 3185 C CG1 . ILE B 1 66 ? -8.114 -22.351 -1.299 1.00 48.76 ? 109 ILE B CG1 1 ATOM 3186 C CG2 . ILE B 1 66 ? -6.537 -21.366 -2.965 1.00 43.61 ? 109 ILE B CG2 1 ATOM 3187 C CD1 . ILE B 1 66 ? -9.277 -22.329 -2.271 1.00 47.63 ? 109 ILE B CD1 1 ATOM 3188 N N . SER B 1 67 ? -4.915 -19.158 -0.636 1.00 44.26 ? 110 SER B N 1 ATOM 3189 C CA . SER B 1 67 ? -3.876 -18.182 -0.943 1.00 48.10 ? 110 SER B CA 1 ATOM 3190 C C . SER B 1 67 ? -2.619 -18.460 -0.126 1.00 41.52 ? 110 SER B C 1 ATOM 3191 O O . SER B 1 67 ? -1.502 -18.365 -0.633 1.00 43.33 ? 110 SER B O 1 ATOM 3192 C CB . SER B 1 67 ? -4.379 -16.764 -0.670 1.00 42.66 ? 110 SER B CB 1 ATOM 3193 O OG . SER B 1 67 ? -3.363 -15.809 -0.913 1.00 57.41 ? 110 SER B OG 1 ATOM 3194 N N . LEU B 1 68 ? -2.811 -18.804 1.142 1.00 31.87 ? 111 LEU B N 1 ATOM 3195 C CA . LEU B 1 68 ? -1.695 -19.116 2.025 1.00 33.47 ? 111 LEU B CA 1 ATOM 3196 C C . LEU B 1 68 ? -0.959 -20.358 1.529 1.00 42.25 ? 111 LEU B C 1 ATOM 3197 O O . LEU B 1 68 ? 0.268 -20.379 1.471 1.00 39.98 ? 111 LEU B O 1 ATOM 3198 C CB . LEU B 1 68 ? -2.195 -19.319 3.460 1.00 32.08 ? 111 LEU B CB 1 ATOM 3199 C CG . LEU B 1 68 ? -1.190 -19.269 4.617 1.00 39.49 ? 111 LEU B CG 1 ATOM 3200 C CD1 . LEU B 1 68 ? -1.911 -18.943 5.915 1.00 44.11 ? 111 LEU B CD1 1 ATOM 3201 C CD2 . LEU B 1 68 ? -0.421 -20.575 4.762 1.00 42.36 ? 111 LEU B CD2 1 ATOM 3202 N N . TRP B 1 69 ? -1.718 -21.388 1.170 1.00 42.70 ? 112 TRP B N 1 ATOM 3203 C CA . TRP B 1 69 ? -1.136 -22.656 0.740 1.00 39.18 ? 112 TRP B CA 1 ATOM 3204 C C . TRP B 1 69 ? -0.445 -22.571 -0.619 1.00 44.34 ? 112 TRP B C 1 ATOM 3205 O O . TRP B 1 69 ? 0.598 -23.192 -0.828 1.00 41.42 ? 112 TRP B O 1 ATOM 3206 C CB . TRP B 1 69 ? -2.195 -23.762 0.747 1.00 35.80 ? 112 TRP B CB 1 ATOM 3207 C CG . TRP B 1 69 ? -2.392 -24.372 2.101 1.00 34.30 ? 112 TRP B CG 1 ATOM 3208 C CD1 . TRP B 1 69 ? -2.696 -23.714 3.259 1.00 37.84 ? 112 TRP B CD1 1 ATOM 3209 C CD2 . TRP B 1 69 ? -2.299 -25.760 2.441 1.00 32.68 ? 112 TRP B CD2 1 ATOM 3210 N NE1 . TRP B 1 69 ? -2.793 -24.606 4.300 1.00 40.98 ? 112 TRP B NE1 1 ATOM 3211 C CE2 . TRP B 1 69 ? -2.554 -25.869 3.824 1.00 41.69 ? 112 TRP B CE2 1 ATOM 3212 C CE3 . TRP B 1 69 ? -2.021 -26.921 1.713 1.00 35.58 ? 112 TRP B CE3 1 ATOM 3213 C CZ2 . TRP B 1 69 ? -2.540 -27.092 4.492 1.00 35.86 ? 112 TRP B CZ2 1 ATOM 3214 C CZ3 . TRP B 1 69 ? -2.009 -28.136 2.380 1.00 40.80 ? 112 TRP B CZ3 1 ATOM 3215 C CH2 . TRP B 1 69 ? -2.268 -28.212 3.754 1.00 34.99 ? 112 TRP B CH2 1 ATOM 3216 N N . ASP B 1 70 ? -1.024 -21.804 -1.538 1.00 44.27 ? 113 ASP B N 1 ATOM 3217 C CA . ASP B 1 70 ? -0.447 -21.641 -2.869 1.00 48.53 ? 113 ASP B CA 1 ATOM 3218 C C . ASP B 1 70 ? 0.925 -20.974 -2.818 1.00 47.12 ? 113 ASP B C 1 ATOM 3219 O O . ASP B 1 70 ? 1.805 -21.282 -3.622 1.00 58.85 ? 113 ASP B O 1 ATOM 3220 C CB . ASP B 1 70 ? -1.386 -20.841 -3.777 1.00 61.74 ? 113 ASP B CB 1 ATOM 3221 C CG . ASP B 1 70 ? -2.618 -21.629 -4.182 1.00 71.52 ? 113 ASP B CG 1 ATOM 3222 O OD1 . ASP B 1 70 ? -2.574 -22.875 -4.125 1.00 79.26 ? 113 ASP B OD1 1 ATOM 3223 O OD2 . ASP B 1 70 ? -3.629 -21.000 -4.560 1.00 76.59 ? 113 ASP B OD2 1 ATOM 3224 N N . GLN B 1 71 ? 1.102 -20.066 -1.864 1.00 48.96 ? 114 GLN B N 1 ATOM 3225 C CA . GLN B 1 71 ? 2.338 -19.299 -1.749 1.00 49.04 ? 114 GLN B CA 1 ATOM 3226 C C . GLN B 1 71 ? 3.381 -20.010 -0.889 1.00 46.86 ? 114 GLN B C 1 ATOM 3227 O O . GLN B 1 71 ? 4.580 -19.765 -1.023 1.00 49.98 ? 114 GLN B O 1 ATOM 3228 C CB . GLN B 1 71 ? 2.049 -17.921 -1.154 1.00 46.19 ? 114 GLN B CB 1 ATOM 3229 C CG . GLN B 1 71 ? 1.120 -17.066 -1.975 1.00 64.82 ? 114 GLN B CG 1 ATOM 3230 C CD . GLN B 1 71 ? 0.495 -15.952 -1.159 1.00 67.66 ? 114 GLN B CD 1 ATOM 3231 O OE1 . GLN B 1 71 ? 1.089 -15.451 -0.202 1.00 68.80 ? 114 GLN B OE1 1 ATOM 3232 N NE2 . GLN B 1 71 ? -0.711 -15.556 -1.540 1.00 70.73 ? 114 GLN B NE2 1 ATOM 3233 N N . SER B 1 72 ? 2.923 -20.898 -0.015 1.00 39.18 ? 115 SER B N 1 ATOM 3234 C CA . SER B 1 72 ? 3.793 -21.474 1.004 1.00 40.12 ? 115 SER B CA 1 ATOM 3235 C C . SER B 1 72 ? 4.184 -22.918 0.719 1.00 48.83 ? 115 SER B C 1 ATOM 3236 O O . SER B 1 72 ? 5.326 -23.317 0.941 1.00 57.66 ? 115 SER B O 1 ATOM 3237 C CB . SER B 1 72 ? 3.118 -21.387 2.373 1.00 42.76 ? 115 SER B CB 1 ATOM 3238 O OG . SER B 1 72 ? 2.766 -20.049 2.680 1.00 50.49 ? 115 SER B OG 1 ATOM 3239 N N . LEU B 1 73 ? 3.229 -23.698 0.224 1.00 48.45 ? 116 LEU B N 1 ATOM 3240 C CA . LEU B 1 73 ? 3.434 -25.131 0.052 1.00 52.76 ? 116 LEU B CA 1 ATOM 3241 C C . LEU B 1 73 ? 3.569 -25.541 -1.408 1.00 56.70 ? 116 LEU B C 1 ATOM 3242 O O . LEU B 1 73 ? 2.755 -26.306 -1.925 1.00 59.89 ? 116 LEU B O 1 ATOM 3243 C CB . LEU B 1 73 ? 2.306 -25.911 0.731 1.00 60.21 ? 116 LEU B CB 1 ATOM 3244 C CG . LEU B 1 73 ? 2.433 -25.974 2.254 1.00 59.79 ? 116 LEU B CG 1 ATOM 3245 C CD1 . LEU B 1 73 ? 1.079 -26.090 2.918 1.00 57.29 ? 116 LEU B CD1 1 ATOM 3246 C CD2 . LEU B 1 73 ? 3.320 -27.139 2.665 1.00 60.15 ? 116 LEU B CD2 1 ATOM 3247 N N . GLN B 1 74 ? 4.606 -25.031 -2.062 1.00 60.28 ? 117 GLN B N 1 ATOM 3248 C CA . GLN B 1 74 ? 4.895 -25.398 -3.442 1.00 69.53 ? 117 GLN B CA 1 ATOM 3249 C C . GLN B 1 74 ? 5.749 -26.661 -3.495 1.00 59.19 ? 117 GLN B C 1 ATOM 3250 O O . GLN B 1 74 ? 6.815 -26.722 -2.881 1.00 63.07 ? 117 GLN B O 1 ATOM 3251 C CB . GLN B 1 74 ? 5.595 -24.250 -4.173 1.00 81.47 ? 117 GLN B CB 1 ATOM 3252 C CG . GLN B 1 74 ? 4.693 -23.060 -4.475 1.00 85.21 ? 117 GLN B CG 1 ATOM 3253 C CD . GLN B 1 74 ? 3.625 -23.383 -5.504 1.00 83.04 ? 117 GLN B CD 1 ATOM 3254 O OE1 . GLN B 1 74 ? 3.795 -24.274 -6.336 1.00 83.01 ? 117 GLN B OE1 1 ATOM 3255 N NE2 . GLN B 1 74 ? 2.514 -22.658 -5.451 1.00 80.68 ? 117 GLN B NE2 1 ATOM 3256 N N . PRO B 1 75 ? 5.277 -27.676 -4.233 1.00 58.81 ? 118 PRO B N 1 ATOM 3257 C CA . PRO B 1 75 ? 5.962 -28.968 -4.356 1.00 64.36 ? 118 PRO B CA 1 ATOM 3258 C C . PRO B 1 75 ? 7.197 -28.901 -5.249 1.00 71.69 ? 118 PRO B C 1 ATOM 3259 O O . PRO B 1 75 ? 7.422 -27.894 -5.921 1.00 73.01 ? 118 PRO B O 1 ATOM 3260 C CB . PRO B 1 75 ? 4.902 -29.854 -5.011 1.00 67.34 ? 118 PRO B CB 1 ATOM 3261 C CG . PRO B 1 75 ? 4.077 -28.907 -5.807 1.00 67.54 ? 118 PRO B CG 1 ATOM 3262 C CD . PRO B 1 75 ? 4.012 -27.651 -4.987 1.00 56.87 ? 118 PRO B CD 1 ATOM 3263 N N . CYS B 1 76 ? 7.990 -29.969 -5.244 1.00 77.36 ? 119 CYS B N 1 ATOM 3264 C CA . CYS B 1 76 ? 9.146 -30.075 -6.126 1.00 83.94 ? 119 CYS B CA 1 ATOM 3265 C C . CYS B 1 76 ? 8.659 -30.113 -7.563 1.00 94.74 ? 119 CYS B C 1 ATOM 3266 O O . CYS B 1 76 ? 9.113 -29.343 -8.410 1.00 96.43 ? 119 CYS B O 1 ATOM 3267 C CB . CYS B 1 76 ? 9.943 -31.340 -5.815 1.00 69.42 ? 119 CYS B CB 1 ATOM 3268 S SG . CYS B 1 76 ? 10.385 -31.543 -4.075 1.00 83.93 ? 119 CYS B SG 1 ATOM 3269 N N . VAL B 1 77 ? 7.731 -31.024 -7.828 1.00 96.97 ? 120 VAL B N 1 ATOM 3270 C CA . VAL B 1 77 ? 7.080 -31.099 -9.126 1.00 76.05 ? 120 VAL B CA 1 ATOM 3271 C C . VAL B 1 77 ? 5.565 -31.017 -8.943 1.00 90.70 ? 120 VAL B C 1 ATOM 3272 O O . VAL B 1 77 ? 5.022 -31.504 -7.948 1.00 83.28 ? 120 VAL B O 1 ATOM 3273 C CB . VAL B 1 77 ? 7.471 -32.385 -9.900 1.00 86.63 ? 120 VAL B CB 1 ATOM 3274 C CG1 . VAL B 1 77 ? 8.974 -32.608 -9.828 1.00 84.09 ? 120 VAL B CG1 1 ATOM 3275 C CG2 . VAL B 1 77 ? 6.736 -33.599 -9.359 1.00 90.98 ? 120 VAL B CG2 1 ATOM 3276 N N . LYS B 1 78 ? 4.892 -30.369 -9.886 1.00 100.65 ? 121 LYS B N 1 ATOM 3277 C CA . LYS B 1 78 ? 3.437 -30.277 -9.853 1.00 100.11 ? 121 LYS B CA 1 ATOM 3278 C C . LYS B 1 78 ? 2.868 -30.933 -11.103 1.00 107.14 ? 121 LYS B C 1 ATOM 3279 O O . LYS B 1 78 ? 3.273 -30.610 -12.221 1.00 109.05 ? 121 LYS B O 1 ATOM 3280 C CB . LYS B 1 78 ? 2.983 -28.820 -9.748 1.00 93.70 ? 121 LYS B CB 1 ATOM 3281 C CG . LYS B 1 78 ? 1.499 -28.657 -9.453 1.00 97.36 ? 121 LYS B CG 1 ATOM 3282 C CD . LYS B 1 78 ? 1.145 -27.209 -9.154 1.00 100.06 ? 121 LYS B CD 1 ATOM 3283 C CE . LYS B 1 78 ? -0.320 -27.069 -8.768 1.00 103.97 ? 121 LYS B CE 1 ATOM 3284 N NZ . LYS B 1 78 ? -0.679 -25.663 -8.428 1.00 102.47 ? 121 LYS B NZ 1 ATOM 3285 N N . LEU B 1 79 ? 1.933 -31.858 -10.912 1.00 112.99 ? 122 LEU B N 1 ATOM 3286 C CA . LEU B 1 79 ? 1.458 -32.688 -12.013 1.00 124.91 ? 122 LEU B CA 1 ATOM 3287 C C . LEU B 1 79 ? -0.051 -32.622 -12.231 1.00 130.49 ? 122 LEU B C 1 ATOM 3288 O O . LEU B 1 79 ? -0.734 -33.645 -12.188 1.00 135.44 ? 122 LEU B O 1 ATOM 3289 C CB . LEU B 1 79 ? 1.885 -34.143 -11.800 1.00 122.20 ? 122 LEU B CB 1 ATOM 3290 C CG . LEU B 1 79 ? 3.390 -34.392 -11.678 1.00 119.67 ? 122 LEU B CG 1 ATOM 3291 C CD1 . LEU B 1 79 ? 3.675 -35.868 -11.450 1.00 96.25 ? 122 LEU B CD1 1 ATOM 3292 C CD2 . LEU B 1 79 ? 4.117 -33.886 -12.913 1.00 123.75 ? 122 LEU B CD2 1 ATOM 3293 N N . THR B 1 80 ? -0.570 -31.419 -12.458 1.00 127.89 ? 123 THR B N 1 ATOM 3294 C CA . THR B 1 80 ? -1.960 -31.260 -12.878 1.00 127.86 ? 123 THR B CA 1 ATOM 3295 C C . THR B 1 80 ? -2.133 -29.991 -13.710 1.00 130.45 ? 123 THR B C 1 ATOM 3296 O O . THR B 1 80 ? -1.282 -29.102 -13.686 1.00 128.14 ? 123 THR B O 1 ATOM 3297 C CB . THR B 1 80 ? -2.948 -31.250 -11.692 1.00 116.71 ? 123 THR B CB 1 ATOM 3298 O OG1 . THR B 1 80 ? -2.625 -30.179 -10.796 1.00 116.08 ? 123 THR B OG1 1 ATOM 3299 C CG2 . THR B 1 80 ? -2.878 -32.573 -10.941 1.00 108.10 ? 123 THR B CG2 1 ATOM 3300 N N . GLY B 1 81 ? -3.242 -29.916 -14.438 1.00 133.61 ? 124 GLY B N 1 ATOM 3301 C CA . GLY B 1 81 ? -3.462 -28.847 -15.392 1.00 131.05 ? 124 GLY B CA 1 ATOM 3302 C C . GLY B 1 81 ? -3.086 -29.344 -16.771 1.00 133.53 ? 124 GLY B C 1 ATOM 3303 O O . GLY B 1 81 ? -3.251 -28.646 -17.771 1.00 137.85 ? 124 GLY B O 1 ATOM 3304 N N . GLY B 1 82 ? -2.578 -30.572 -16.813 1.00 128.36 ? 198 GLY B N 1 ATOM 3305 C CA . GLY B 1 82 ? -2.154 -31.192 -18.054 1.00 123.13 ? 198 GLY B CA 1 ATOM 3306 C C . GLY B 1 82 ? -0.685 -30.958 -18.338 1.00 127.40 ? 198 GLY B C 1 ATOM 3307 O O . GLY B 1 82 ? -0.174 -31.364 -19.383 1.00 135.86 ? 198 GLY B O 1 ATOM 3308 N N . SER B 1 83 ? -0.001 -30.307 -17.402 1.00 128.95 ? 199 SER B N 1 ATOM 3309 C CA . SER B 1 83 ? 1.400 -29.946 -17.595 1.00 141.10 ? 199 SER B CA 1 ATOM 3310 C C . SER B 1 83 ? 2.311 -30.511 -16.508 1.00 137.53 ? 199 SER B C 1 ATOM 3311 O O . SER B 1 83 ? 1.844 -31.080 -15.520 1.00 132.23 ? 199 SER B O 1 ATOM 3312 C CB . SER B 1 83 ? 1.552 -28.425 -17.661 1.00 147.55 ? 199 SER B CB 1 ATOM 3313 O OG . SER B 1 83 ? 0.799 -27.883 -18.731 1.00 157.29 ? 199 SER B OG 1 ATOM 3314 N N . VAL B 1 84 ? 3.615 -30.349 -16.705 1.00 140.79 ? 200 VAL B N 1 ATOM 3315 C CA . VAL B 1 84 ? 4.614 -30.810 -15.750 1.00 136.25 ? 200 VAL B CA 1 ATOM 3316 C C . VAL B 1 84 ? 5.559 -29.667 -15.385 1.00 133.40 ? 200 VAL B C 1 ATOM 3317 O O . VAL B 1 84 ? 6.287 -29.159 -16.238 1.00 138.64 ? 200 VAL B O 1 ATOM 3318 C CB . VAL B 1 84 ? 5.438 -31.979 -16.320 1.00 138.66 ? 200 VAL B CB 1 ATOM 3319 C CG1 . VAL B 1 84 ? 6.511 -32.399 -15.332 1.00 132.02 ? 200 VAL B CG1 1 ATOM 3320 C CG2 . VAL B 1 84 ? 4.532 -33.153 -16.663 1.00 145.91 ? 200 VAL B CG2 1 ATOM 3321 N N . ILE B 1 85 ? 5.546 -29.269 -14.117 1.00 119.50 ? 201 ILE B N 1 ATOM 3322 C CA . ILE B 1 85 ? 6.328 -28.118 -13.672 1.00 107.01 ? 201 ILE B CA 1 ATOM 3323 C C . ILE B 1 85 ? 7.332 -28.471 -12.578 1.00 93.73 ? 201 ILE B C 1 ATOM 3324 O O . ILE B 1 85 ? 6.951 -28.854 -11.473 1.00 85.11 ? 201 ILE B O 1 ATOM 3325 C CB . ILE B 1 85 ? 5.415 -26.990 -13.155 1.00 103.93 ? 201 ILE B CB 1 ATOM 3326 C CG1 . ILE B 1 85 ? 4.371 -26.622 -14.211 1.00 109.36 ? 201 ILE B CG1 1 ATOM 3327 C CG2 . ILE B 1 85 ? 6.242 -25.775 -12.761 1.00 100.12 ? 201 ILE B CG2 1 ATOM 3328 C CD1 . ILE B 1 85 ? 3.389 -25.565 -13.756 1.00 106.57 ? 201 ILE B CD1 1 ATOM 3329 N N . LYS B 1 86 ? 8.616 -28.332 -12.893 1.00 98.61 ? 202 LYS B N 1 ATOM 3330 C CA . LYS B 1 86 ? 9.678 -28.575 -11.924 1.00 97.45 ? 202 LYS B CA 1 ATOM 3331 C C . LYS B 1 86 ? 10.124 -27.256 -11.305 1.00 96.92 ? 202 LYS B C 1 ATOM 3332 O O . LYS B 1 86 ? 10.343 -26.276 -12.017 1.00 101.28 ? 202 LYS B O 1 ATOM 3333 C CB . LYS B 1 86 ? 10.879 -29.240 -12.598 1.00 103.12 ? 202 LYS B CB 1 ATOM 3334 C CG . LYS B 1 86 ? 10.532 -30.259 -13.673 1.00 122.10 ? 202 LYS B CG 1 ATOM 3335 C CD . LYS B 1 86 ? 9.882 -31.498 -13.089 1.00 124.94 ? 202 LYS B CD 1 ATOM 3336 C CE . LYS B 1 86 ? 9.862 -32.632 -14.102 1.00 129.39 ? 202 LYS B CE 1 ATOM 3337 N NZ . LYS B 1 86 ? 9.164 -33.840 -13.579 1.00 127.71 ? 202 LYS B NZ 1 ATOM 3338 N N . GLN B 1 87 ? 10.262 -27.230 -9.984 1.00 98.38 ? 203 GLN B N 1 ATOM 3339 C CA . GLN B 1 87 ? 10.758 -26.040 -9.300 1.00 94.03 ? 203 GLN B CA 1 ATOM 3340 C C . GLN B 1 87 ? 11.333 -26.369 -7.928 1.00 85.24 ? 203 GLN B C 1 ATOM 3341 O O . GLN B 1 87 ? 11.310 -27.520 -7.493 1.00 80.23 ? 203 GLN B O 1 ATOM 3342 C CB . GLN B 1 87 ? 9.658 -24.983 -9.171 1.00 87.87 ? 203 GLN B CB 1 ATOM 3343 C CG . GLN B 1 87 ? 8.491 -25.393 -8.295 1.00 84.86 ? 203 GLN B CG 1 ATOM 3344 C CD . GLN B 1 87 ? 7.480 -24.277 -8.123 1.00 89.24 ? 203 GLN B CD 1 ATOM 3345 O OE1 . GLN B 1 87 ? 7.659 -23.176 -8.646 1.00 96.06 ? 203 GLN B OE1 1 ATOM 3346 N NE2 . GLN B 1 87 ? 6.410 -24.555 -7.389 1.00 88.31 ? 203 GLN B NE2 1 ATOM 3347 N N . ALA B 1 88 ? 11.847 -25.347 -7.252 1.00 87.08 ? 204 ALA B N 1 ATOM 3348 C CA . ALA B 1 88 ? 12.443 -25.520 -5.934 1.00 87.55 ? 204 ALA B CA 1 ATOM 3349 C C . ALA B 1 88 ? 11.387 -25.867 -4.892 1.00 83.19 ? 204 ALA B C 1 ATOM 3350 O O . ALA B 1 88 ? 10.265 -25.365 -4.938 1.00 80.75 ? 204 ALA B O 1 ATOM 3351 C CB . ALA B 1 88 ? 13.200 -24.266 -5.526 1.00 87.22 ? 204 ALA B CB 1 ATOM 3352 N N . CYS B 1 89 ? 11.756 -26.735 -3.957 1.00 88.48 ? 205 CYS B N 1 ATOM 3353 C CA . CYS B 1 89 ? 10.867 -27.107 -2.864 1.00 85.58 ? 205 CYS B CA 1 ATOM 3354 C C . CYS B 1 89 ? 11.631 -27.254 -1.557 1.00 75.20 ? 205 CYS B C 1 ATOM 3355 O O . CYS B 1 89 ? 11.789 -28.363 -1.045 1.00 73.05 ? 205 CYS B O 1 ATOM 3356 C CB . CYS B 1 89 ? 10.139 -28.410 -3.189 1.00 93.44 ? 205 CYS B CB 1 ATOM 3357 S SG . CYS B 1 89 ? 11.213 -29.704 -3.859 1.00 97.36 ? 205 CYS B SG 1 ATOM 3358 N N . PRO B 1 90 ? 12.113 -26.131 -1.007 1.00 70.76 ? 206 PRO B N 1 ATOM 3359 C CA . PRO B 1 90 ? 12.823 -26.202 0.270 1.00 72.80 ? 206 PRO B CA 1 ATOM 3360 C C . PRO B 1 90 ? 11.849 -26.540 1.388 1.00 67.89 ? 206 PRO B C 1 ATOM 3361 O O . PRO B 1 90 ? 10.668 -26.201 1.294 1.00 59.25 ? 206 PRO B O 1 ATOM 3362 C CB . PRO B 1 90 ? 13.355 -24.779 0.447 1.00 69.75 ? 206 PRO B CB 1 ATOM 3363 C CG . PRO B 1 90 ? 12.376 -23.928 -0.283 1.00 66.09 ? 206 PRO B CG 1 ATOM 3364 C CD . PRO B 1 90 ? 11.939 -24.742 -1.470 1.00 64.47 ? 206 PRO B CD 1 ATOM 3365 N N . LYS B 1 91 ? 12.334 -27.217 2.422 1.00 64.76 ? 207 LYS B N 1 ATOM 3366 C CA . LYS B 1 91 ? 11.507 -27.521 3.580 1.00 58.88 ? 207 LYS B CA 1 ATOM 3367 C C . LYS B 1 91 ? 11.143 -26.229 4.298 1.00 53.21 ? 207 LYS B C 1 ATOM 3368 O O . LYS B 1 91 ? 11.979 -25.340 4.457 1.00 60.23 ? 207 LYS B O 1 ATOM 3369 C CB . LYS B 1 91 ? 12.236 -28.478 4.521 1.00 55.41 ? 207 LYS B CB 1 ATOM 3370 C CG . LYS B 1 91 ? 12.356 -29.888 3.972 1.00 53.44 ? 207 LYS B CG 1 ATOM 3371 C CD . LYS B 1 91 ? 10.982 -30.514 3.795 1.00 52.18 ? 207 LYS B CD 1 ATOM 3372 C CE . LYS B 1 91 ? 11.083 -31.971 3.385 1.00 55.91 ? 207 LYS B CE 1 ATOM 3373 N NZ . LYS B 1 91 ? 9.745 -32.618 3.278 1.00 61.63 ? 207 LYS B NZ 1 ATOM 3374 N N . ILE B 1 92 ? 9.890 -26.123 4.723 1.00 42.39 ? 208 ILE B N 1 ATOM 3375 C CA . ILE B 1 92 ? 9.397 -24.890 5.324 1.00 54.41 ? 208 ILE B CA 1 ATOM 3376 C C . ILE B 1 92 ? 9.040 -25.064 6.794 1.00 53.64 ? 208 ILE B C 1 ATOM 3377 O O . ILE B 1 92 ? 8.935 -26.186 7.292 1.00 43.92 ? 208 ILE B O 1 ATOM 3378 C CB . ILE B 1 92 ? 8.155 -24.361 4.579 1.00 49.78 ? 208 ILE B CB 1 ATOM 3379 C CG1 . ILE B 1 92 ? 6.962 -25.292 4.805 1.00 45.37 ? 208 ILE B CG1 1 ATOM 3380 C CG2 . ILE B 1 92 ? 8.447 -24.204 3.093 1.00 50.95 ? 208 ILE B CG2 1 ATOM 3381 C CD1 . ILE B 1 92 ? 5.674 -24.790 4.193 1.00 48.60 ? 208 ILE B CD1 1 ATOM 3382 N N . SER B 1 93 ? 8.864 -23.940 7.482 1.00 50.84 ? 209 SER B N 1 ATOM 3383 C CA . SER B 1 93 ? 8.388 -23.938 8.857 1.00 43.40 ? 209 SER B CA 1 ATOM 3384 C C . SER B 1 93 ? 6.878 -23.739 8.834 1.00 44.34 ? 209 SER B C 1 ATOM 3385 O O . SER B 1 93 ? 6.386 -22.708 8.371 1.00 46.15 ? 209 SER B O 1 ATOM 3386 C CB . SER B 1 93 ? 9.065 -22.824 9.657 1.00 45.30 ? 209 SER B CB 1 ATOM 3387 O OG . SER B 1 93 ? 8.661 -22.846 11.015 1.00 47.49 ? 209 SER B OG 1 ATOM 3388 N N . PHE B 1 94 ? 6.146 -24.729 9.331 1.00 41.74 ? 210 PHE B N 1 ATOM 3389 C CA . PHE B 1 94 ? 4.697 -24.761 9.186 1.00 43.00 ? 210 PHE B CA 1 ATOM 3390 C C . PHE B 1 94 ? 4.008 -25.054 10.516 1.00 41.25 ? 210 PHE B C 1 ATOM 3391 O O . PHE B 1 94 ? 4.148 -26.145 11.067 1.00 33.34 ? 210 PHE B O 1 ATOM 3392 C CB . PHE B 1 94 ? 4.316 -25.820 8.145 1.00 41.50 ? 210 PHE B CB 1 ATOM 3393 C CG . PHE B 1 94 ? 2.850 -25.863 7.814 1.00 39.16 ? 210 PHE B CG 1 ATOM 3394 C CD1 . PHE B 1 94 ? 1.979 -26.655 8.550 1.00 32.73 ? 210 PHE B CD1 1 ATOM 3395 C CD2 . PHE B 1 94 ? 2.346 -25.135 6.749 1.00 41.81 ? 210 PHE B CD2 1 ATOM 3396 C CE1 . PHE B 1 94 ? 0.632 -26.706 8.239 1.00 37.98 ? 210 PHE B CE1 1 ATOM 3397 C CE2 . PHE B 1 94 ? 1.000 -25.182 6.432 1.00 42.50 ? 210 PHE B CE2 1 ATOM 3398 C CZ . PHE B 1 94 ? 0.142 -25.967 7.178 1.00 41.95 ? 210 PHE B CZ 1 ATOM 3399 N N . ASP B 1 95 ? 3.265 -24.072 11.021 1.00 32.05 ? 211 ASP B N 1 ATOM 3400 C CA . ASP B 1 95 ? 2.499 -24.223 12.256 1.00 35.44 ? 211 ASP B CA 1 ATOM 3401 C C . ASP B 1 95 ? 1.427 -23.137 12.333 1.00 30.97 ? 211 ASP B C 1 ATOM 3402 O O . ASP B 1 95 ? 1.731 -21.983 12.621 1.00 34.61 ? 211 ASP B O 1 ATOM 3403 C CB . ASP B 1 95 ? 3.419 -24.150 13.477 1.00 31.94 ? 211 ASP B CB 1 ATOM 3404 C CG . ASP B 1 95 ? 2.688 -24.439 14.780 1.00 52.56 ? 211 ASP B CG 1 ATOM 3405 O OD1 . ASP B 1 95 ? 1.611 -25.071 14.741 1.00 39.36 ? 211 ASP B OD1 1 ATOM 3406 O OD2 . ASP B 1 95 ? 3.199 -24.039 15.849 1.00 50.92 ? 211 ASP B OD2 1 ATOM 3407 N N . PRO B 1 96 ? 0.165 -23.512 12.069 1.00 38.48 ? 212 PRO B N 1 ATOM 3408 C CA . PRO B 1 96 ? -0.965 -22.578 11.977 1.00 32.28 ? 212 PRO B CA 1 ATOM 3409 C C . PRO B 1 96 ? -1.147 -21.704 13.219 1.00 38.87 ? 212 PRO B C 1 ATOM 3410 O O . PRO B 1 96 ? -1.002 -22.182 14.346 1.00 27.41 ? 212 PRO B O 1 ATOM 3411 C CB . PRO B 1 96 ? -2.171 -23.507 11.809 1.00 41.14 ? 212 PRO B CB 1 ATOM 3412 C CG . PRO B 1 96 ? -1.608 -24.745 11.204 1.00 37.35 ? 212 PRO B CG 1 ATOM 3413 C CD . PRO B 1 96 ? -0.252 -24.904 11.824 1.00 38.03 ? 212 PRO B CD 1 ATOM 3414 N N . ILE B 1 97 ? -1.461 -20.430 12.997 1.00 32.92 ? 213 ILE B N 1 ATOM 3415 C CA . ILE B 1 97 ? -1.728 -19.492 14.081 1.00 45.45 ? 213 ILE B CA 1 ATOM 3416 C C . ILE B 1 97 ? -3.181 -19.018 13.998 1.00 36.48 ? 213 ILE B C 1 ATOM 3417 O O . ILE B 1 97 ? -3.803 -19.120 12.943 1.00 36.91 ? 213 ILE B O 1 ATOM 3418 C CB . ILE B 1 97 ? -0.770 -18.279 14.021 1.00 42.25 ? 213 ILE B CB 1 ATOM 3419 C CG1 . ILE B 1 97 ? -1.021 -17.457 12.756 1.00 33.79 ? 213 ILE B CG1 1 ATOM 3420 C CG2 . ILE B 1 97 ? 0.679 -18.738 14.096 1.00 40.59 ? 213 ILE B CG2 1 ATOM 3421 C CD1 . ILE B 1 97 ? -0.187 -16.197 12.674 1.00 32.93 ? 213 ILE B CD1 1 ATOM 3422 N N . PRO B 1 98 ? -3.734 -18.512 15.115 1.00 28.58 ? 214 PRO B N 1 ATOM 3423 C CA . PRO B 1 98 ? -5.129 -18.055 15.102 1.00 30.13 ? 214 PRO B CA 1 ATOM 3424 C C . PRO B 1 98 ? -5.355 -16.846 14.201 1.00 30.17 ? 214 PRO B C 1 ATOM 3425 O O . PRO B 1 98 ? -4.575 -15.895 14.234 1.00 36.74 ? 214 PRO B O 1 ATOM 3426 C CB . PRO B 1 98 ? -5.383 -17.666 16.562 1.00 34.74 ? 214 PRO B CB 1 ATOM 3427 C CG . PRO B 1 98 ? -4.382 -18.440 17.339 1.00 39.31 ? 214 PRO B CG 1 ATOM 3428 C CD . PRO B 1 98 ? -3.165 -18.483 16.473 1.00 27.64 ? 214 PRO B CD 1 ATOM 3429 N N . ILE B 1 99 ? -6.420 -16.892 13.407 1.00 34.43 ? 215 ILE B N 1 ATOM 3430 C CA . ILE B 1 99 ? -6.797 -15.772 12.553 1.00 32.55 ? 215 ILE B CA 1 ATOM 3431 C C . ILE B 1 99 ? -8.200 -15.291 12.910 1.00 37.74 ? 215 ILE B C 1 ATOM 3432 O O . ILE B 1 99 ? -9.149 -16.077 12.919 1.00 36.90 ? 215 ILE B O 1 ATOM 3433 C CB . ILE B 1 99 ? -6.769 -16.160 11.059 1.00 32.38 ? 215 ILE B CB 1 ATOM 3434 C CG1 . ILE B 1 99 ? -5.397 -16.717 10.668 1.00 37.53 ? 215 ILE B CG1 1 ATOM 3435 C CG2 . ILE B 1 99 ? -7.128 -14.964 10.190 1.00 25.08 ? 215 ILE B CG2 1 ATOM 3436 C CD1 . ILE B 1 99 ? -4.255 -15.747 10.882 1.00 40.78 ? 215 ILE B CD1 1 ATOM 3437 N N . HIS B 1 100 ? -8.324 -14.003 13.214 1.00 39.03 ? 216 HIS B N 1 ATOM 3438 C CA . HIS B 1 100 ? -9.624 -13.401 13.493 1.00 30.48 ? 216 HIS B CA 1 ATOM 3439 C C . HIS B 1 100 ? -10.191 -12.788 12.220 1.00 39.65 ? 216 HIS B C 1 ATOM 3440 O O . HIS B 1 100 ? -9.474 -12.119 11.478 1.00 33.93 ? 216 HIS B O 1 ATOM 3441 C CB . HIS B 1 100 ? -9.496 -12.310 14.557 1.00 30.12 ? 216 HIS B CB 1 ATOM 3442 C CG . HIS B 1 100 ? -8.985 -12.798 15.875 1.00 30.59 ? 216 HIS B CG 1 ATOM 3443 N ND1 . HIS B 1 100 ? -9.810 -13.017 16.958 1.00 36.85 ? 216 HIS B ND1 1 ATOM 3444 C CD2 . HIS B 1 100 ? -7.732 -13.096 16.292 1.00 35.78 ? 216 HIS B CD2 1 ATOM 3445 C CE1 . HIS B 1 100 ? -9.089 -13.435 17.982 1.00 37.24 ? 216 HIS B CE1 1 ATOM 3446 N NE2 . HIS B 1 100 ? -7.824 -13.492 17.605 1.00 41.00 ? 216 HIS B NE2 1 ATOM 3447 N N . TYR B 1 101 ? -11.476 -13.009 11.969 1.00 36.66 ? 217 TYR B N 1 ATOM 3448 C CA . TYR B 1 101 ? -12.132 -12.394 10.818 1.00 27.31 ? 217 TYR B CA 1 ATOM 3449 C C . TYR B 1 101 ? -13.059 -11.259 11.236 1.00 37.42 ? 217 TYR B C 1 ATOM 3450 O O . TYR B 1 101 ? -13.909 -11.427 12.110 1.00 36.09 ? 217 TYR B O 1 ATOM 3451 C CB . TYR B 1 101 ? -12.861 -13.443 9.977 1.00 36.35 ? 217 TYR B CB 1 ATOM 3452 C CG . TYR B 1 101 ? -11.909 -14.237 9.118 1.00 38.18 ? 217 TYR B CG 1 ATOM 3453 C CD1 . TYR B 1 101 ? -11.549 -13.787 7.857 1.00 45.16 ? 217 TYR B CD1 1 ATOM 3454 C CD2 . TYR B 1 101 ? -11.346 -15.419 9.579 1.00 43.15 ? 217 TYR B CD2 1 ATOM 3455 C CE1 . TYR B 1 101 ? -10.671 -14.498 7.072 1.00 43.64 ? 217 TYR B CE1 1 ATOM 3456 C CE2 . TYR B 1 101 ? -10.464 -16.139 8.801 1.00 40.67 ? 217 TYR B CE2 1 ATOM 3457 C CZ . TYR B 1 101 ? -10.129 -15.673 7.547 1.00 31.47 ? 217 TYR B CZ 1 ATOM 3458 O OH . TYR B 1 101 ? -9.251 -16.384 6.765 1.00 39.27 ? 217 TYR B OH 1 ATOM 3459 N N . CYS B 1 102 ? -12.882 -10.102 10.604 1.00 41.39 ? 218 CYS B N 1 ATOM 3460 C CA . CYS B 1 102 ? -13.527 -8.876 11.059 1.00 45.77 ? 218 CYS B CA 1 ATOM 3461 C C . CYS B 1 102 ? -14.273 -8.136 9.950 1.00 54.01 ? 218 CYS B C 1 ATOM 3462 O O . CYS B 1 102 ? -13.968 -8.288 8.767 1.00 52.39 ? 218 CYS B O 1 ATOM 3463 C CB . CYS B 1 102 ? -12.486 -7.942 11.684 1.00 41.46 ? 218 CYS B CB 1 ATOM 3464 S SG . CYS B 1 102 ? -11.323 -8.753 12.812 1.00 49.32 ? 218 CYS B SG 1 ATOM 3465 N N . THR B 1 103 ? -15.246 -7.325 10.352 1.00 49.23 ? 219 THR B N 1 ATOM 3466 C CA . THR B 1 103 ? -16.020 -6.511 9.423 1.00 49.68 ? 219 THR B CA 1 ATOM 3467 C C . THR B 1 103 ? -15.492 -5.082 9.367 1.00 48.49 ? 219 THR B C 1 ATOM 3468 O O . THR B 1 103 ? -14.996 -4.561 10.366 1.00 50.84 ? 219 THR B O 1 ATOM 3469 C CB . THR B 1 103 ? -17.503 -6.461 9.827 1.00 59.24 ? 219 THR B CB 1 ATOM 3470 O OG1 . THR B 1 103 ? -17.606 -6.358 11.254 1.00 64.23 ? 219 THR B OG1 1 ATOM 3471 C CG2 . THR B 1 103 ? -18.224 -7.711 9.361 1.00 51.19 ? 219 THR B CG2 1 ATOM 3472 N N . PRO B 1 104 ? -15.597 -4.441 8.192 1.00 54.45 ? 220 PRO B N 1 ATOM 3473 C CA . PRO B 1 104 ? -15.203 -3.036 8.049 1.00 48.60 ? 220 PRO B CA 1 ATOM 3474 C C . PRO B 1 104 ? -16.277 -2.099 8.593 1.00 52.08 ? 220 PRO B C 1 ATOM 3475 O O . PRO B 1 104 ? -17.237 -2.556 9.215 1.00 62.17 ? 220 PRO B O 1 ATOM 3476 C CB . PRO B 1 104 ? -15.080 -2.868 6.534 1.00 57.52 ? 220 PRO B CB 1 ATOM 3477 C CG . PRO B 1 104 ? -16.052 -3.847 5.978 1.00 54.79 ? 220 PRO B CG 1 ATOM 3478 C CD . PRO B 1 104 ? -16.016 -5.031 6.908 1.00 52.48 ? 220 PRO B CD 1 ATOM 3479 N N . ALA B 1 105 ? -16.113 -0.802 8.356 1.00 56.13 ? 221 ALA B N 1 ATOM 3480 C CA . ALA B 1 105 ? -17.081 0.188 8.811 1.00 60.21 ? 221 ALA B CA 1 ATOM 3481 C C . ALA B 1 105 ? -18.415 0.023 8.088 1.00 64.88 ? 221 ALA B C 1 ATOM 3482 O O . ALA B 1 105 ? -18.453 -0.180 6.875 1.00 68.10 ? 221 ALA B O 1 ATOM 3483 C CB . ALA B 1 105 ? -16.537 1.594 8.609 1.00 64.81 ? 221 ALA B CB 1 ATOM 3484 N N . GLY B 1 106 ? -19.506 0.107 8.842 1.00 65.90 ? 222 GLY B N 1 ATOM 3485 C CA . GLY B 1 106 ? -20.836 -0.030 8.275 1.00 64.94 ? 222 GLY B CA 1 ATOM 3486 C C . GLY B 1 106 ? -21.378 -1.443 8.380 1.00 65.90 ? 222 GLY B C 1 ATOM 3487 O O . GLY B 1 106 ? -22.527 -1.704 8.024 1.00 68.16 ? 222 GLY B O 1 ATOM 3488 N N . TYR B 1 107 ? -20.546 -2.355 8.873 1.00 61.19 ? 223 TYR B N 1 ATOM 3489 C CA . TYR B 1 107 ? -20.938 -3.752 9.022 1.00 57.04 ? 223 TYR B CA 1 ATOM 3490 C C . TYR B 1 107 ? -20.614 -4.274 10.418 1.00 59.81 ? 223 TYR B C 1 ATOM 3491 O O . TYR B 1 107 ? -19.730 -3.753 11.098 1.00 59.65 ? 223 TYR B O 1 ATOM 3492 C CB . TYR B 1 107 ? -20.251 -4.621 7.965 1.00 57.98 ? 223 TYR B CB 1 ATOM 3493 C CG . TYR B 1 107 ? -20.649 -4.294 6.542 1.00 63.03 ? 223 TYR B CG 1 ATOM 3494 C CD1 . TYR B 1 107 ? -19.952 -3.345 5.806 1.00 57.86 ? 223 TYR B CD1 1 ATOM 3495 C CD2 . TYR B 1 107 ? -21.719 -4.939 5.934 1.00 55.04 ? 223 TYR B CD2 1 ATOM 3496 C CE1 . TYR B 1 107 ? -20.312 -3.045 4.504 1.00 61.49 ? 223 TYR B CE1 1 ATOM 3497 C CE2 . TYR B 1 107 ? -22.086 -4.646 4.634 1.00 59.70 ? 223 TYR B CE2 1 ATOM 3498 C CZ . TYR B 1 107 ? -21.380 -3.698 3.924 1.00 62.46 ? 223 TYR B CZ 1 ATOM 3499 O OH . TYR B 1 107 ? -21.741 -3.404 2.630 1.00 68.31 ? 223 TYR B OH 1 ATOM 3500 N N . VAL B 1 108 ? -21.335 -5.311 10.834 1.00 59.42 ? 224 VAL B N 1 ATOM 3501 C CA . VAL B 1 108 ? -21.188 -5.887 12.166 1.00 59.66 ? 224 VAL B CA 1 ATOM 3502 C C . VAL B 1 108 ? -21.410 -7.398 12.120 1.00 61.53 ? 224 VAL B C 1 ATOM 3503 O O . VAL B 1 108 ? -22.312 -7.878 11.434 1.00 70.90 ? 224 VAL B O 1 ATOM 3504 C CB . VAL B 1 108 ? -22.185 -5.236 13.163 1.00 58.18 ? 224 VAL B CB 1 ATOM 3505 C CG1 . VAL B 1 108 ? -22.502 -6.170 14.319 1.00 62.75 ? 224 VAL B CG1 1 ATOM 3506 C CG2 . VAL B 1 108 ? -21.649 -3.904 13.673 1.00 57.78 ? 224 VAL B CG2 1 ATOM 3507 N N . ILE B 1 109 ? -20.580 -8.150 12.838 1.00 52.05 ? 225 ILE B N 1 ATOM 3508 C CA . ILE B 1 109 ? -20.766 -9.593 12.944 1.00 44.00 ? 225 ILE B CA 1 ATOM 3509 C C . ILE B 1 109 ? -21.688 -9.940 14.105 1.00 53.01 ? 225 ILE B C 1 ATOM 3510 O O . ILE B 1 109 ? -21.404 -9.604 15.255 1.00 51.29 ? 225 ILE B O 1 ATOM 3511 C CB . ILE B 1 109 ? -19.431 -10.328 13.155 1.00 44.85 ? 225 ILE B CB 1 ATOM 3512 C CG1 . ILE B 1 109 ? -18.469 -10.041 12.003 1.00 43.83 ? 225 ILE B CG1 1 ATOM 3513 C CG2 . ILE B 1 109 ? -19.666 -11.826 13.291 1.00 47.30 ? 225 ILE B CG2 1 ATOM 3514 C CD1 . ILE B 1 109 ? -17.117 -10.700 12.160 1.00 50.37 ? 225 ILE B CD1 1 ATOM 3515 N N . LEU B 1 110 ? -22.793 -10.614 13.803 1.00 48.95 ? 226 LEU B N 1 ATOM 3516 C CA . LEU B 1 110 ? -23.694 -11.093 14.843 1.00 53.88 ? 226 LEU B CA 1 ATOM 3517 C C . LEU B 1 110 ? -23.238 -12.461 15.339 1.00 51.19 ? 226 LEU B C 1 ATOM 3518 O O . LEU B 1 110 ? -22.865 -13.325 14.546 1.00 46.42 ? 226 LEU B O 1 ATOM 3519 C CB . LEU B 1 110 ? -25.134 -11.163 14.332 1.00 56.97 ? 226 LEU B CB 1 ATOM 3520 C CG . LEU B 1 110 ? -25.771 -9.835 13.918 1.00 55.58 ? 226 LEU B CG 1 ATOM 3521 C CD1 . LEU B 1 110 ? -27.254 -10.017 13.640 1.00 53.86 ? 226 LEU B CD1 1 ATOM 3522 C CD2 . LEU B 1 110 ? -25.548 -8.766 14.979 1.00 54.47 ? 226 LEU B CD2 1 ATOM 3523 N N . LYS B 1 111 ? -23.272 -12.652 16.653 1.00 55.70 ? 227 LYS B N 1 ATOM 3524 C CA . LYS B 1 111 ? -22.788 -13.888 17.254 1.00 55.21 ? 227 LYS B CA 1 ATOM 3525 C C . LYS B 1 111 ? -23.870 -14.595 18.067 1.00 64.32 ? 227 LYS B C 1 ATOM 3526 O O . LYS B 1 111 ? -24.394 -14.045 19.036 1.00 69.06 ? 227 LYS B O 1 ATOM 3527 C CB . LYS B 1 111 ? -21.570 -13.603 18.136 1.00 53.12 ? 227 LYS B CB 1 ATOM 3528 C CG . LYS B 1 111 ? -20.994 -14.829 18.823 1.00 49.54 ? 227 LYS B CG 1 ATOM 3529 C CD . LYS B 1 111 ? -19.817 -14.452 19.707 1.00 47.43 ? 227 LYS B CD 1 ATOM 3530 C CE . LYS B 1 111 ? -19.219 -15.673 20.387 1.00 49.42 ? 227 LYS B CE 1 ATOM 3531 N NZ . LYS B 1 111 ? -18.051 -15.315 21.242 1.00 49.09 ? 227 LYS B NZ 1 ATOM 3532 N N . CYS B 1 112 ? -24.201 -15.817 17.663 1.00 59.14 ? 228 CYS B N 1 ATOM 3533 C CA . CYS B 1 112 ? -25.167 -16.630 18.389 1.00 58.28 ? 228 CYS B CA 1 ATOM 3534 C C . CYS B 1 112 ? -24.505 -17.269 19.605 1.00 58.62 ? 228 CYS B C 1 ATOM 3535 O O . CYS B 1 112 ? -23.491 -17.956 19.480 1.00 51.95 ? 228 CYS B O 1 ATOM 3536 C CB . CYS B 1 112 ? -25.747 -17.712 17.477 1.00 60.04 ? 228 CYS B CB 1 ATOM 3537 S SG . CYS B 1 112 ? -26.868 -18.858 18.302 1.00 73.11 ? 228 CYS B SG 1 ATOM 3538 N N . ASN B 1 113 ? -25.080 -17.042 20.782 1.00 59.66 ? 229 ASN B N 1 ATOM 3539 C CA . ASN B 1 113 ? -24.480 -17.530 22.018 1.00 63.74 ? 229 ASN B CA 1 ATOM 3540 C C . ASN B 1 113 ? -25.299 -18.608 22.725 1.00 69.38 ? 229 ASN B C 1 ATOM 3541 O O . ASN B 1 113 ? -25.063 -18.908 23.896 1.00 72.32 ? 229 ASN B O 1 ATOM 3542 C CB . ASN B 1 113 ? -24.193 -16.369 22.973 1.00 60.30 ? 229 ASN B CB 1 ATOM 3543 C CG . ASN B 1 113 ? -23.319 -15.300 22.344 1.00 63.37 ? 229 ASN B CG 1 ATOM 3544 O OD1 . ASN B 1 113 ? -22.095 -15.428 22.300 1.00 58.16 ? 229 ASN B OD1 1 ATOM 3545 N ND2 . ASN B 1 113 ? -23.946 -14.234 21.857 1.00 62.59 ? 229 ASN B ND2 1 ATOM 3546 N N . ASP B 1 114 ? -26.263 -19.186 22.014 1.00 71.18 ? 230 ASP B N 1 ATOM 3547 C CA . ASP B 1 114 ? -27.001 -20.329 22.538 1.00 71.48 ? 230 ASP B CA 1 ATOM 3548 C C . ASP B 1 114 ? -26.062 -21.524 22.613 1.00 69.83 ? 230 ASP B C 1 ATOM 3549 O O . ASP B 1 114 ? -25.509 -21.955 21.601 1.00 63.51 ? 230 ASP B O 1 ATOM 3550 C CB . ASP B 1 114 ? -28.207 -20.656 21.656 1.00 73.09 ? 230 ASP B CB 1 ATOM 3551 C CG . ASP B 1 114 ? -29.256 -19.563 21.673 1.00 76.42 ? 230 ASP B CG 1 ATOM 3552 O OD1 . ASP B 1 114 ? -29.182 -18.679 22.552 1.00 82.42 ? 230 ASP B OD1 1 ATOM 3553 O OD2 . ASP B 1 114 ? -30.160 -19.592 20.811 1.00 73.23 ? 230 ASP B OD2 1 ATOM 3554 N N . LYS B 1 115 ? -25.884 -22.062 23.816 1.00 75.97 ? 231 LYS B N 1 ATOM 3555 C CA . LYS B 1 115 ? -24.884 -23.100 24.044 1.00 82.71 ? 231 LYS B CA 1 ATOM 3556 C C . LYS B 1 115 ? -25.322 -24.477 23.544 1.00 84.03 ? 231 LYS B C 1 ATOM 3557 O O . LYS B 1 115 ? -24.644 -25.478 23.778 1.00 91.59 ? 231 LYS B O 1 ATOM 3558 C CB . LYS B 1 115 ? -24.495 -23.145 25.525 1.00 93.36 ? 231 LYS B CB 1 ATOM 3559 C CG . LYS B 1 115 ? -24.183 -21.769 26.094 1.00 94.93 ? 231 LYS B CG 1 ATOM 3560 C CD . LYS B 1 115 ? -23.327 -21.840 27.346 1.00 98.87 ? 231 LYS B CD 1 ATOM 3561 C CE . LYS B 1 115 ? -22.953 -20.443 27.817 1.00 97.38 ? 231 LYS B CE 1 ATOM 3562 N NZ . LYS B 1 115 ? -21.965 -20.463 28.931 1.00 97.45 ? 231 LYS B NZ 1 ATOM 3563 N N . ASN B 1 116 ? -26.456 -24.517 22.850 1.00 71.98 ? 232 ASN B N 1 ATOM 3564 C CA . ASN B 1 116 ? -26.938 -25.741 22.220 1.00 71.42 ? 232 ASN B CA 1 ATOM 3565 C C . ASN B 1 116 ? -27.294 -25.510 20.754 1.00 70.22 ? 232 ASN B C 1 ATOM 3566 O O . ASN B 1 116 ? -28.098 -26.241 20.174 1.00 73.41 ? 232 ASN B O 1 ATOM 3567 C CB . ASN B 1 116 ? -28.144 -26.296 22.978 1.00 81.13 ? 232 ASN B CB 1 ATOM 3568 C CG . ASN B 1 116 ? -29.218 -25.249 23.215 1.00 89.14 ? 232 ASN B CG 1 ATOM 3569 O OD1 . ASN B 1 116 ? -29.147 -24.138 22.687 1.00 83.21 ? 232 ASN B OD1 1 ATOM 3570 N ND2 . ASN B 1 116 ? -30.221 -25.601 24.012 1.00 92.39 ? 232 ASN B ND2 1 ATOM 3571 N N . PHE B 1 117 ? -26.685 -24.485 20.165 1.00 64.50 ? 233 PHE B N 1 ATOM 3572 C CA . PHE B 1 117 ? -26.979 -24.083 18.793 1.00 58.93 ? 233 PHE B CA 1 ATOM 3573 C C . PHE B 1 117 ? -26.431 -25.076 17.771 1.00 72.58 ? 233 PHE B C 1 ATOM 3574 O O . PHE B 1 117 ? -25.224 -25.321 17.715 1.00 55.38 ? 233 PHE B O 1 ATOM 3575 C CB . PHE B 1 117 ? -26.414 -22.686 18.529 1.00 55.17 ? 233 PHE B CB 1 ATOM 3576 C CG . PHE B 1 117 ? -26.792 -22.121 17.193 1.00 65.42 ? 233 PHE B CG 1 ATOM 3577 C CD1 . PHE B 1 117 ? -28.122 -22.017 16.825 1.00 65.21 ? 233 PHE B CD1 1 ATOM 3578 C CD2 . PHE B 1 117 ? -25.819 -21.678 16.313 1.00 70.04 ? 233 PHE B CD2 1 ATOM 3579 C CE1 . PHE B 1 117 ? -28.476 -21.495 15.599 1.00 70.08 ? 233 PHE B CE1 1 ATOM 3580 C CE2 . PHE B 1 117 ? -26.166 -21.150 15.086 1.00 69.55 ? 233 PHE B CE2 1 ATOM 3581 C CZ . PHE B 1 117 ? -27.497 -21.061 14.728 1.00 68.45 ? 233 PHE B CZ 1 ATOM 3582 N N . ASN B 1 118 ? -27.323 -25.635 16.958 1.00 67.76 ? 234 ASN B N 1 ATOM 3583 C CA . ASN B 1 118 ? -26.943 -26.651 15.978 1.00 72.47 ? 234 ASN B CA 1 ATOM 3584 C C . ASN B 1 118 ? -26.322 -26.090 14.699 1.00 63.92 ? 234 ASN B C 1 ATOM 3585 O O . ASN B 1 118 ? -25.848 -26.844 13.851 1.00 62.92 ? 234 ASN B O 1 ATOM 3586 C CB . ASN B 1 118 ? -28.138 -27.544 15.627 1.00 84.15 ? 234 ASN B CB 1 ATOM 3587 C CG . ASN B 1 118 ? -29.301 -26.765 15.043 1.00 97.13 ? 234 ASN B CG 1 ATOM 3588 O OD1 . ASN B 1 118 ? -29.179 -26.136 13.993 1.00 89.77 ? 234 ASN B OD1 1 ATOM 3589 N ND2 . ASN B 1 118 ? -30.447 -26.828 15.710 1.00 121.46 ? 234 ASN B ND2 1 ATOM 3590 N N . GLY B 1 119 ? -26.332 -24.768 14.560 1.00 55.29 ? 235 GLY B N 1 ATOM 3591 C CA . GLY B 1 119 ? -25.777 -24.132 13.380 1.00 54.78 ? 235 GLY B CA 1 ATOM 3592 C C . GLY B 1 119 ? -26.829 -23.508 12.482 1.00 64.39 ? 235 GLY B C 1 ATOM 3593 O O . GLY B 1 119 ? -26.560 -22.525 11.790 1.00 69.80 ? 235 GLY B O 1 ATOM 3594 N N . THR B 1 120 ? -28.029 -24.079 12.487 1.00 58.85 ? 236 THR B N 1 ATOM 3595 C CA . THR B 1 120 ? -29.128 -23.555 11.683 1.00 66.35 ? 236 THR B CA 1 ATOM 3596 C C . THR B 1 120 ? -30.295 -23.118 12.562 1.00 71.31 ? 236 THR B C 1 ATOM 3597 O O . THR B 1 120 ? -30.406 -23.537 13.714 1.00 82.11 ? 236 THR B O 1 ATOM 3598 C CB . THR B 1 120 ? -29.636 -24.595 10.664 1.00 65.42 ? 236 THR B CB 1 ATOM 3599 O OG1 . THR B 1 120 ? -30.262 -25.683 11.354 1.00 75.84 ? 236 THR B OG1 1 ATOM 3600 C CG2 . THR B 1 120 ? -28.485 -25.124 9.823 1.00 67.73 ? 236 THR B CG2 1 ATOM 3601 N N . GLY B 1 121 ? -31.162 -22.275 12.012 1.00 66.27 ? 237 GLY B N 1 ATOM 3602 C CA . GLY B 1 121 ? -32.340 -21.824 12.726 1.00 69.52 ? 237 GLY B CA 1 ATOM 3603 C C . GLY B 1 121 ? -32.117 -20.535 13.491 1.00 67.18 ? 237 GLY B C 1 ATOM 3604 O O . GLY B 1 121 ? -31.096 -19.871 13.310 1.00 63.17 ? 237 GLY B O 1 ATOM 3605 N N . PRO B 1 122 ? -33.077 -20.172 14.355 1.00 70.14 ? 238 PRO B N 1 ATOM 3606 C CA . PRO B 1 122 ? -33.034 -18.934 15.140 1.00 75.70 ? 238 PRO B CA 1 ATOM 3607 C C . PRO B 1 122 ? -32.139 -19.042 16.373 1.00 75.12 ? 238 PRO B C 1 ATOM 3608 O O . PRO B 1 122 ? -31.912 -20.139 16.883 1.00 74.68 ? 238 PRO B O 1 ATOM 3609 C CB . PRO B 1 122 ? -34.490 -18.755 15.570 1.00 84.85 ? 238 PRO B CB 1 ATOM 3610 C CG . PRO B 1 122 ? -35.008 -20.146 15.676 1.00 77.32 ? 238 PRO B CG 1 ATOM 3611 C CD . PRO B 1 122 ? -34.321 -20.928 14.587 1.00 76.68 ? 238 PRO B CD 1 ATOM 3612 N N . CYS B 1 123 ? -31.639 -17.901 16.839 1.00 71.48 ? 239 CYS B N 1 ATOM 3613 C CA . CYS B 1 123 ? -30.811 -17.844 18.037 1.00 69.48 ? 239 CYS B CA 1 ATOM 3614 C C . CYS B 1 123 ? -31.346 -16.774 18.983 1.00 76.62 ? 239 CYS B C 1 ATOM 3615 O O . CYS B 1 123 ? -31.648 -15.659 18.560 1.00 84.14 ? 239 CYS B O 1 ATOM 3616 C CB . CYS B 1 123 ? -29.357 -17.547 17.668 1.00 58.14 ? 239 CYS B CB 1 ATOM 3617 S SG . CYS B 1 123 ? -28.212 -17.539 19.066 1.00 88.56 ? 239 CYS B SG 1 ATOM 3618 N N . LYS B 1 124 ? -31.461 -17.112 20.265 1.00 77.73 ? 240 LYS B N 1 ATOM 3619 C CA . LYS B 1 124 ? -32.086 -16.214 21.233 1.00 82.00 ? 240 LYS B CA 1 ATOM 3620 C C . LYS B 1 124 ? -31.091 -15.314 21.966 1.00 82.66 ? 240 LYS B C 1 ATOM 3621 O O . LYS B 1 124 ? -31.438 -14.206 22.376 1.00 89.24 ? 240 LYS B O 1 ATOM 3622 C CB . LYS B 1 124 ? -32.934 -17.003 22.234 1.00 91.19 ? 240 LYS B CB 1 ATOM 3623 C CG . LYS B 1 124 ? -33.982 -17.892 21.580 1.00 77.27 ? 240 LYS B CG 1 ATOM 3624 C CD . LYS B 1 124 ? -35.057 -18.310 22.572 1.00 91.06 ? 240 LYS B CD 1 ATOM 3625 C CE . LYS B 1 124 ? -35.893 -17.117 23.012 1.00 96.79 ? 240 LYS B CE 1 ATOM 3626 N NZ . LYS B 1 124 ? -37.013 -17.515 23.907 1.00 91.73 ? 240 LYS B NZ 1 ATOM 3627 N N . ASN B 1 125 ? -29.883 -15.732 22.027 1.00 79.19 ? 241 ASN B N 1 ATOM 3628 C CA . ASN B 1 125 ? -28.840 -14.963 22.710 1.00 73.21 ? 241 ASN B CA 1 ATOM 3629 C C . ASN B 1 125 ? -27.810 -14.445 21.702 1.00 65.28 ? 241 ASN B C 1 ATOM 3630 O O . ASN B 1 125 ? -26.810 -15.101 21.423 1.00 60.82 ? 241 ASN B O 1 ATOM 3631 C CB . ASN B 1 125 ? -28.184 -15.847 23.782 1.00 82.46 ? 241 ASN B CB 1 ATOM 3632 C CG . ASN B 1 125 ? -27.134 -15.117 24.613 1.00 97.46 ? 241 ASN B CG 1 ATOM 3633 O OD1 . ASN B 1 125 ? -26.910 -13.920 24.447 1.00 93.35 ? 241 ASN B OD1 1 ATOM 3634 N ND2 . ASN B 1 125 ? -26.489 -15.852 25.525 1.00 120.48 ? 241 ASN B ND2 1 ATOM 3635 N N . VAL B 1 126 ? -28.166 -13.349 21.096 1.00 64.35 ? 242 VAL B N 1 ATOM 3636 C CA . VAL B 1 126 ? -27.345 -12.785 20.031 1.00 63.91 ? 242 VAL B CA 1 ATOM 3637 C C . VAL B 1 126 ? -26.549 -11.577 20.518 1.00 64.99 ? 242 VAL B C 1 ATOM 3638 O O . VAL B 1 126 ? -27.094 -10.686 21.167 1.00 67.67 ? 242 VAL B O 1 ATOM 3639 C CB . VAL B 1 126 ? -28.212 -12.360 18.830 1.00 71.40 ? 242 VAL B CB 1 ATOM 3640 C CG1 . VAL B 1 126 ? -27.335 -11.887 17.676 1.00 71.44 ? 242 VAL B CG1 1 ATOM 3641 C CG2 . VAL B 1 126 ? -29.108 -13.507 18.390 1.00 70.82 ? 242 VAL B CG2 1 ATOM 3642 N N . SER B 1 127 ? -25.258 -11.555 20.201 1.00 60.10 ? 243 SER B N 1 ATOM 3643 C CA . SER B 1 127 ? -24.403 -10.430 20.564 1.00 63.25 ? 243 SER B CA 1 ATOM 3644 C C . SER B 1 127 ? -23.803 -9.772 19.326 1.00 62.62 ? 243 SER B C 1 ATOM 3645 O O . SER B 1 127 ? -24.005 -10.235 18.204 1.00 53.04 ? 243 SER B O 1 ATOM 3646 C CB . SER B 1 127 ? -23.293 -10.874 21.520 1.00 51.89 ? 243 SER B CB 1 ATOM 3647 O OG . SER B 1 127 ? -22.441 -11.824 20.908 1.00 52.73 ? 243 SER B OG 1 ATOM 3648 N N . SER B 1 128 ? -23.062 -8.690 19.540 1.00 66.22 ? 244 SER B N 1 ATOM 3649 C CA . SER B 1 128 ? -22.486 -7.923 18.441 1.00 62.82 ? 244 SER B CA 1 ATOM 3650 C C . SER B 1 128 ? -20.986 -7.714 18.624 1.00 57.03 ? 244 SER B C 1 ATOM 3651 O O . SER B 1 128 ? -20.553 -7.035 19.554 1.00 59.46 ? 244 SER B O 1 ATOM 3652 C CB . SER B 1 128 ? -23.189 -6.569 18.316 1.00 65.01 ? 244 SER B CB 1 ATOM 3653 O OG . SER B 1 128 ? -22.477 -5.704 17.451 1.00 66.12 ? 244 SER B OG 1 ATOM 3654 N N . VAL B 1 129 ? -20.199 -8.301 17.730 1.00 53.89 ? 245 VAL B N 1 ATOM 3655 C CA . VAL B 1 129 ? -18.749 -8.164 17.782 1.00 55.98 ? 245 VAL B CA 1 ATOM 3656 C C . VAL B 1 129 ? -18.191 -7.689 16.446 1.00 58.43 ? 245 VAL B C 1 ATOM 3657 O O . VAL B 1 129 ? -18.849 -7.800 15.411 1.00 58.79 ? 245 VAL B O 1 ATOM 3658 C CB . VAL B 1 129 ? -18.062 -9.493 18.164 1.00 57.03 ? 245 VAL B CB 1 ATOM 3659 C CG1 . VAL B 1 129 ? -18.489 -9.935 19.551 1.00 51.03 ? 245 VAL B CG1 1 ATOM 3660 C CG2 . VAL B 1 129 ? -18.374 -10.570 17.132 1.00 58.04 ? 245 VAL B CG2 1 ATOM 3661 N N . GLN B 1 130 ? -16.973 -7.157 16.476 1.00 56.59 ? 246 GLN B N 1 ATOM 3662 C CA . GLN B 1 130 ? -16.305 -6.717 15.261 1.00 51.24 ? 246 GLN B CA 1 ATOM 3663 C C . GLN B 1 130 ? -15.538 -7.871 14.627 1.00 49.70 ? 246 GLN B C 1 ATOM 3664 O O . GLN B 1 130 ? -15.466 -7.986 13.406 1.00 45.62 ? 246 GLN B O 1 ATOM 3665 C CB . GLN B 1 130 ? -15.351 -5.559 15.558 1.00 56.92 ? 246 GLN B CB 1 ATOM 3666 C CG . GLN B 1 130 ? -14.721 -4.945 14.317 1.00 66.93 ? 246 GLN B CG 1 ATOM 3667 C CD . GLN B 1 130 ? -13.660 -3.915 14.648 1.00 78.62 ? 246 GLN B CD 1 ATOM 3668 O OE1 . GLN B 1 130 ? -13.003 -3.994 15.686 1.00 80.34 ? 246 GLN B OE1 1 ATOM 3669 N NE2 . GLN B 1 130 ? -13.488 -2.940 13.763 1.00 87.14 ? 246 GLN B NE2 1 ATOM 3670 N N . CYS B 1 131 ? -14.969 -8.729 15.468 1.00 41.32 ? 247 CYS B N 1 ATOM 3671 C CA . CYS B 1 131 ? -14.167 -9.848 14.989 1.00 41.33 ? 247 CYS B CA 1 ATOM 3672 C C . CYS B 1 131 ? -14.613 -11.167 15.607 1.00 44.78 ? 247 CYS B C 1 ATOM 3673 O O . CYS B 1 131 ? -15.153 -11.196 16.711 1.00 48.75 ? 247 CYS B O 1 ATOM 3674 C CB . CYS B 1 131 ? -12.684 -9.615 15.300 1.00 37.11 ? 247 CYS B CB 1 ATOM 3675 S SG . CYS B 1 131 ? -11.992 -8.091 14.615 1.00 47.60 ? 247 CYS B SG 1 ATOM 3676 N N . THR B 1 132 ? -14.381 -12.259 14.887 1.00 46.43 ? 248 THR B N 1 ATOM 3677 C CA . THR B 1 132 ? -14.632 -13.592 15.418 1.00 39.60 ? 248 THR B CA 1 ATOM 3678 C C . THR B 1 132 ? -13.516 -13.960 16.383 1.00 39.88 ? 248 THR B C 1 ATOM 3679 O O . THR B 1 132 ? -12.554 -13.207 16.548 1.00 37.86 ? 248 THR B O 1 ATOM 3680 C CB . THR B 1 132 ? -14.653 -14.647 14.299 1.00 47.37 ? 248 THR B CB 1 ATOM 3681 O OG1 . THR B 1 132 ? -13.331 -14.802 13.764 1.00 44.48 ? 248 THR B OG1 1 ATOM 3682 C CG2 . THR B 1 132 ? -15.606 -14.237 13.188 1.00 43.47 ? 248 THR B CG2 1 ATOM 3683 N N . HIS B 1 133 ? -13.637 -15.123 17.015 1.00 35.49 ? 249 HIS B N 1 ATOM 3684 C CA . HIS B 1 133 ? -12.561 -15.642 17.849 1.00 41.01 ? 249 HIS B CA 1 ATOM 3685 C C . HIS B 1 133 ? -11.388 -16.062 16.967 1.00 34.45 ? 249 HIS B C 1 ATOM 3686 O O . HIS B 1 133 ? -11.505 -16.099 15.740 1.00 37.30 ? 249 HIS B O 1 ATOM 3687 C CB . HIS B 1 133 ? -13.047 -16.824 18.695 1.00 34.11 ? 249 HIS B CB 1 ATOM 3688 C CG . HIS B 1 133 ? -13.456 -18.019 17.889 1.00 39.38 ? 249 HIS B CG 1 ATOM 3689 N ND1 . HIS B 1 133 ? -14.600 -18.042 17.119 1.00 42.63 ? 249 HIS B ND1 1 ATOM 3690 C CD2 . HIS B 1 133 ? -12.877 -19.233 17.737 1.00 40.49 ? 249 HIS B CD2 1 ATOM 3691 C CE1 . HIS B 1 133 ? -14.706 -19.218 16.526 1.00 36.69 ? 249 HIS B CE1 1 ATOM 3692 N NE2 . HIS B 1 133 ? -13.673 -19.959 16.885 1.00 37.98 ? 249 HIS B NE2 1 ATOM 3693 N N . GLY B 1 134 ? -10.258 -16.371 17.593 1.00 39.92 ? 250 GLY B N 1 ATOM 3694 C CA . GLY B 1 134 ? -9.074 -16.790 16.863 1.00 36.72 ? 250 GLY B CA 1 ATOM 3695 C C . GLY B 1 134 ? -9.218 -18.187 16.293 1.00 40.86 ? 250 GLY B C 1 ATOM 3696 O O . GLY B 1 134 ? -9.383 -19.156 17.033 1.00 42.23 ? 250 GLY B O 1 ATOM 3697 N N . ILE B 1 135 ? -9.153 -18.292 14.970 1.00 38.18 ? 251 ILE B N 1 ATOM 3698 C CA . ILE B 1 135 ? -9.331 -19.573 14.295 1.00 37.87 ? 251 ILE B CA 1 ATOM 3699 C C . ILE B 1 135 ? -8.064 -20.017 13.566 1.00 39.80 ? 251 ILE B C 1 ATOM 3700 O O . ILE B 1 135 ? -7.566 -19.315 12.684 1.00 36.12 ? 251 ILE B O 1 ATOM 3701 C CB . ILE B 1 135 ? -10.486 -19.510 13.279 1.00 37.30 ? 251 ILE B CB 1 ATOM 3702 C CG1 . ILE B 1 135 ? -11.769 -19.022 13.955 1.00 40.09 ? 251 ILE B CG1 1 ATOM 3703 C CG2 . ILE B 1 135 ? -10.701 -20.868 12.626 1.00 36.15 ? 251 ILE B CG2 1 ATOM 3704 C CD1 . ILE B 1 135 ? -12.929 -18.833 12.999 1.00 35.78 ? 251 ILE B CD1 1 ATOM 3705 N N . LYS B 1 136 ? -7.546 -21.183 13.939 1.00 32.65 ? 252 LYS B N 1 ATOM 3706 C CA . LYS B 1 136 ? -6.407 -21.767 13.240 1.00 31.38 ? 252 LYS B CA 1 ATOM 3707 C C . LYS B 1 136 ? -6.873 -22.498 11.985 1.00 32.25 ? 252 LYS B C 1 ATOM 3708 O O . LYS B 1 136 ? -7.743 -23.367 12.058 1.00 36.68 ? 252 LYS B O 1 ATOM 3709 C CB . LYS B 1 136 ? -5.642 -22.728 14.155 1.00 33.38 ? 252 LYS B CB 1 ATOM 3710 C CG . LYS B 1 136 ? -4.914 -22.051 15.307 1.00 32.81 ? 252 LYS B CG 1 ATOM 3711 C CD . LYS B 1 136 ? -4.083 -23.048 16.102 1.00 30.64 ? 252 LYS B CD 1 ATOM 3712 C CE . LYS B 1 136 ? -3.294 -22.348 17.196 1.00 29.26 ? 252 LYS B CE 1 ATOM 3713 N NZ . LYS B 1 136 ? -2.431 -23.285 17.964 1.00 33.68 ? 252 LYS B NZ 1 ATOM 3714 N N . PRO B 1 137 ? -6.262 -22.133 10.837 1.00 40.03 ? 253 PRO B N 1 ATOM 3715 C CA . PRO B 1 137 ? -6.628 -22.751 9.557 1.00 33.34 ? 253 PRO B CA 1 ATOM 3716 C C . PRO B 1 137 ? -6.035 -24.148 9.416 1.00 42.03 ? 253 PRO B C 1 ATOM 3717 O O . PRO B 1 137 ? -5.203 -24.385 8.539 1.00 39.18 ? 253 PRO B O 1 ATOM 3718 C CB . PRO B 1 137 ? -6.000 -21.807 8.530 1.00 34.96 ? 253 PRO B CB 1 ATOM 3719 C CG . PRO B 1 137 ? -4.818 -21.239 9.233 1.00 36.94 ? 253 PRO B CG 1 ATOM 3720 C CD . PRO B 1 137 ? -5.227 -21.097 10.675 1.00 33.39 ? 253 PRO B CD 1 ATOM 3721 N N . VAL B 1 138 ? -6.467 -25.061 10.278 1.00 31.13 ? 254 VAL B N 1 ATOM 3722 C CA . VAL B 1 138 ? -5.956 -26.424 10.269 1.00 33.87 ? 254 VAL B CA 1 ATOM 3723 C C . VAL B 1 138 ? -6.662 -27.252 9.205 1.00 38.81 ? 254 VAL B C 1 ATOM 3724 O O . VAL B 1 138 ? -7.868 -27.490 9.286 1.00 36.99 ? 254 VAL B O 1 ATOM 3725 C CB . VAL B 1 138 ? -6.140 -27.101 11.639 1.00 34.60 ? 254 VAL B CB 1 ATOM 3726 C CG1 . VAL B 1 138 ? -5.494 -28.474 11.639 1.00 38.69 ? 254 VAL B CG1 1 ATOM 3727 C CG2 . VAL B 1 138 ? -5.554 -26.233 12.741 1.00 38.73 ? 254 VAL B CG2 1 ATOM 3728 N N . VAL B 1 139 ? -5.904 -27.686 8.204 1.00 44.82 ? 255 VAL B N 1 ATOM 3729 C CA . VAL B 1 139 ? -6.460 -28.483 7.119 1.00 39.90 ? 255 VAL B CA 1 ATOM 3730 C C . VAL B 1 139 ? -6.343 -29.969 7.440 1.00 43.63 ? 255 VAL B C 1 ATOM 3731 O O . VAL B 1 139 ? -5.242 -30.506 7.567 1.00 40.02 ? 255 VAL B O 1 ATOM 3732 C CB . VAL B 1 139 ? -5.763 -28.175 5.780 1.00 42.57 ? 255 VAL B CB 1 ATOM 3733 C CG1 . VAL B 1 139 ? -6.365 -29.011 4.659 1.00 37.40 ? 255 VAL B CG1 1 ATOM 3734 C CG2 . VAL B 1 139 ? -5.872 -26.691 5.459 1.00 41.37 ? 255 VAL B CG2 1 ATOM 3735 N N . SER B 1 140 ? -7.489 -30.626 7.582 1.00 39.25 ? 256 SER B N 1 ATOM 3736 C CA . SER B 1 140 ? -7.513 -32.042 7.921 1.00 37.20 ? 256 SER B CA 1 ATOM 3737 C C . SER B 1 140 ? -8.782 -32.712 7.415 1.00 39.85 ? 256 SER B C 1 ATOM 3738 O O . SER B 1 140 ? -9.750 -32.042 7.053 1.00 42.53 ? 256 SER B O 1 ATOM 3739 C CB . SER B 1 140 ? -7.407 -32.226 9.435 1.00 39.30 ? 256 SER B CB 1 ATOM 3740 O OG . SER B 1 140 ? -8.531 -31.664 10.089 1.00 46.30 ? 256 SER B OG 1 ATOM 3741 N N . THR B 1 141 ? -8.770 -34.041 7.392 1.00 42.87 ? 257 THR B N 1 ATOM 3742 C CA . THR B 1 141 ? -9.954 -34.818 7.047 1.00 46.72 ? 257 THR B CA 1 ATOM 3743 C C . THR B 1 141 ? -10.345 -35.732 8.202 1.00 51.44 ? 257 THR B C 1 ATOM 3744 O O . THR B 1 141 ? -9.556 -35.950 9.123 1.00 44.51 ? 257 THR B O 1 ATOM 3745 C CB . THR B 1 141 ? -9.737 -35.662 5.782 1.00 45.22 ? 257 THR B CB 1 ATOM 3746 O OG1 . THR B 1 141 ? -8.582 -36.493 5.951 1.00 45.74 ? 257 THR B OG1 1 ATOM 3747 C CG2 . THR B 1 141 ? -9.540 -34.765 4.573 1.00 43.30 ? 257 THR B CG2 1 ATOM 3748 N N . GLN B 1 142 ? -11.568 -36.257 8.145 1.00 41.94 ? 258 GLN B N 1 ATOM 3749 C CA . GLN B 1 142 ? -12.120 -37.119 9.194 1.00 48.35 ? 258 GLN B CA 1 ATOM 3750 C C . GLN B 1 142 ? -12.184 -36.441 10.565 1.00 47.52 ? 258 GLN B C 1 ATOM 3751 O O . GLN B 1 142 ? -13.270 -36.196 11.090 1.00 56.47 ? 258 GLN B O 1 ATOM 3752 C CB . GLN B 1 142 ? -11.357 -38.446 9.288 1.00 43.70 ? 258 GLN B CB 1 ATOM 3753 C CG . GLN B 1 142 ? -11.482 -39.328 8.060 1.00 46.65 ? 258 GLN B CG 1 ATOM 3754 C CD . GLN B 1 142 ? -10.928 -40.720 8.287 1.00 57.70 ? 258 GLN B CD 1 ATOM 3755 O OE1 . GLN B 1 142 ? -10.478 -41.049 9.385 1.00 51.63 ? 258 GLN B OE1 1 ATOM 3756 N NE2 . GLN B 1 142 ? -10.962 -41.547 7.250 1.00 62.83 ? 258 GLN B NE2 1 ATOM 3757 N N . LEU B 1 143 ? -11.022 -36.145 11.137 1.00 39.60 ? 259 LEU B N 1 ATOM 3758 C CA . LEU B 1 143 ? -10.948 -35.536 12.462 1.00 47.41 ? 259 LEU B CA 1 ATOM 3759 C C . LEU B 1 143 ? -10.627 -34.045 12.391 1.00 51.00 ? 259 LEU B C 1 ATOM 3760 O O . LEU B 1 143 ? -9.785 -33.617 11.600 1.00 46.02 ? 259 LEU B O 1 ATOM 3761 C CB . LEU B 1 143 ? -9.895 -36.250 13.313 1.00 44.09 ? 259 LEU B CB 1 ATOM 3762 C CG . LEU B 1 143 ? -10.035 -37.767 13.444 1.00 44.96 ? 259 LEU B CG 1 ATOM 3763 C CD1 . LEU B 1 143 ? -8.859 -38.346 14.214 1.00 45.05 ? 259 LEU B CD1 1 ATOM 3764 C CD2 . LEU B 1 143 ? -11.352 -38.132 14.113 1.00 47.33 ? 259 LEU B CD2 1 ATOM 3765 N N . LEU B 1 144 ? -11.303 -33.260 13.226 1.00 55.03 ? 260 LEU B N 1 ATOM 3766 C CA . LEU B 1 144 ? -11.036 -31.830 13.327 1.00 47.55 ? 260 LEU B CA 1 ATOM 3767 C C . LEU B 1 144 ? -10.086 -31.561 14.490 1.00 46.33 ? 260 LEU B C 1 ATOM 3768 O O . LEU B 1 144 ? -10.324 -32.006 15.613 1.00 39.58 ? 260 LEU B O 1 ATOM 3769 C CB . LEU B 1 144 ? -12.340 -31.051 13.516 1.00 45.17 ? 260 LEU B CB 1 ATOM 3770 C CG . LEU B 1 144 ? -13.349 -31.142 12.370 1.00 53.93 ? 260 LEU B CG 1 ATOM 3771 C CD1 . LEU B 1 144 ? -14.589 -30.314 12.672 1.00 56.34 ? 260 LEU B CD1 1 ATOM 3772 C CD2 . LEU B 1 144 ? -12.712 -30.702 11.060 1.00 48.49 ? 260 LEU B CD2 1 ATOM 3773 N N . LEU B 1 145 ? -9.012 -30.824 14.219 1.00 36.52 ? 261 LEU B N 1 ATOM 3774 C CA . LEU B 1 145 ? -7.942 -30.651 15.196 1.00 35.06 ? 261 LEU B CA 1 ATOM 3775 C C . LEU B 1 145 ? -7.764 -29.205 15.653 1.00 36.59 ? 261 LEU B C 1 ATOM 3776 O O . LEU B 1 145 ? -7.952 -28.270 14.872 1.00 33.65 ? 261 LEU B O 1 ATOM 3777 C CB . LEU B 1 145 ? -6.625 -31.176 14.625 1.00 43.99 ? 261 LEU B CB 1 ATOM 3778 C CG . LEU B 1 145 ? -6.683 -32.597 14.060 1.00 43.20 ? 261 LEU B CG 1 ATOM 3779 C CD1 . LEU B 1 145 ? -5.336 -33.009 13.492 1.00 40.43 ? 261 LEU B CD1 1 ATOM 3780 C CD2 . LEU B 1 145 ? -7.142 -33.574 15.134 1.00 35.07 ? 261 LEU B CD2 1 ATOM 3781 N N . ASN B 1 146 ? -7.392 -29.042 16.922 1.00 32.59 ? 262 ASN B N 1 ATOM 3782 C CA . ASN B 1 146 ? -7.096 -27.732 17.508 1.00 36.23 ? 262 ASN B CA 1 ATOM 3783 C C . ASN B 1 146 ? -8.203 -26.695 17.317 1.00 40.35 ? 262 ASN B C 1 ATOM 3784 O O . ASN B 1 146 ? -7.928 -25.500 17.213 1.00 41.18 ? 262 ASN B O 1 ATOM 3785 C CB . ASN B 1 146 ? -5.772 -27.177 16.965 1.00 34.14 ? 262 ASN B CB 1 ATOM 3786 C CG . ASN B 1 146 ? -4.583 -28.069 17.279 1.00 40.92 ? 262 ASN B CG 1 ATOM 3787 O OD1 . ASN B 1 146 ? -4.627 -28.887 18.200 1.00 35.04 ? 262 ASN B OD1 1 ATOM 3788 N ND2 . ASN B 1 146 ? -3.506 -27.906 16.511 1.00 35.45 ? 262 ASN B ND2 1 ATOM 3789 N N . GLY B 1 147 ? -9.449 -27.153 17.266 1.00 36.02 ? 263 GLY B N 1 ATOM 3790 C CA . GLY B 1 147 ? -10.577 -26.258 17.086 1.00 36.28 ? 263 GLY B CA 1 ATOM 3791 C C . GLY B 1 147 ? -11.175 -25.827 18.411 1.00 41.85 ? 263 GLY B C 1 ATOM 3792 O O . GLY B 1 147 ? -10.517 -25.897 19.449 1.00 37.88 ? 263 GLY B O 1 ATOM 3793 N N . SER B 1 148 ? -12.425 -25.378 18.376 1.00 39.16 ? 264 SER B N 1 ATOM 3794 C CA . SER B 1 148 ? -13.138 -24.996 19.590 1.00 42.85 ? 264 SER B CA 1 ATOM 3795 C C . SER B 1 148 ? -14.083 -26.114 20.021 1.00 43.09 ? 264 SER B C 1 ATOM 3796 O O . SER B 1 148 ? -14.549 -26.895 19.193 1.00 45.24 ? 264 SER B O 1 ATOM 3797 C CB . SER B 1 148 ? -13.928 -23.706 19.365 1.00 50.93 ? 264 SER B CB 1 ATOM 3798 O OG . SER B 1 148 ? -14.952 -23.900 18.404 1.00 58.65 ? 264 SER B OG 1 ATOM 3799 N N . LEU B 1 149 ? -14.360 -26.186 21.318 1.00 43.10 ? 265 LEU B N 1 ATOM 3800 C CA . LEU B 1 149 ? -15.261 -27.204 21.851 1.00 40.63 ? 265 LEU B CA 1 ATOM 3801 C C . LEU B 1 149 ? -16.655 -26.649 22.112 1.00 49.41 ? 265 LEU B C 1 ATOM 3802 O O . LEU B 1 149 ? -16.818 -25.462 22.400 1.00 54.98 ? 265 LEU B O 1 ATOM 3803 C CB . LEU B 1 149 ? -14.700 -27.788 23.151 1.00 49.58 ? 265 LEU B CB 1 ATOM 3804 C CG . LEU B 1 149 ? -13.454 -28.670 23.069 1.00 48.88 ? 265 LEU B CG 1 ATOM 3805 C CD1 . LEU B 1 149 ? -13.032 -29.109 24.461 1.00 44.02 ? 265 LEU B CD1 1 ATOM 3806 C CD2 . LEU B 1 149 ? -13.714 -29.874 22.183 1.00 44.67 ? 265 LEU B CD2 1 ATOM 3807 N N . ALA B 1 150 ? -17.661 -27.512 22.008 1.00 54.22 ? 266 ALA B N 1 ATOM 3808 C CA . ALA B 1 150 ? -19.014 -27.154 22.407 1.00 54.77 ? 266 ALA B CA 1 ATOM 3809 C C . ALA B 1 150 ? -19.036 -26.965 23.919 1.00 60.16 ? 266 ALA B C 1 ATOM 3810 O O . ALA B 1 150 ? -18.411 -27.731 24.651 1.00 56.89 ? 266 ALA B O 1 ATOM 3811 C CB . ALA B 1 150 ? -19.998 -28.230 21.985 1.00 60.92 ? 266 ALA B CB 1 ATOM 3812 N N . GLU B 1 151 ? -19.752 -25.946 24.383 1.00 64.17 ? 267 GLU B N 1 ATOM 3813 C CA . GLU B 1 151 ? -19.706 -25.568 25.794 1.00 59.52 ? 267 GLU B CA 1 ATOM 3814 C C . GLU B 1 151 ? -20.530 -26.475 26.710 1.00 61.81 ? 267 GLU B C 1 ATOM 3815 O O . GLU B 1 151 ? -20.258 -26.562 27.908 1.00 66.63 ? 267 GLU B O 1 ATOM 3816 C CB . GLU B 1 151 ? -20.121 -24.105 25.975 1.00 64.54 ? 267 GLU B CB 1 ATOM 3817 C CG . GLU B 1 151 ? -19.244 -23.120 25.217 1.00 73.24 ? 267 GLU B CG 1 ATOM 3818 C CD . GLU B 1 151 ? -19.435 -21.690 25.681 1.00 86.40 ? 267 GLU B CD 1 ATOM 3819 O OE1 . GLU B 1 151 ? -19.998 -21.490 26.778 1.00 93.81 ? 267 GLU B OE1 1 ATOM 3820 O OE2 . GLU B 1 151 ? -19.021 -20.766 24.951 1.00 92.07 ? 267 GLU B OE2 1 ATOM 3821 N N . GLU B 1 152 ? -21.531 -27.147 26.153 1.00 55.89 ? 268 GLU B N 1 ATOM 3822 C CA . GLU B 1 152 ? -22.365 -28.047 26.946 1.00 60.82 ? 268 GLU B CA 1 ATOM 3823 C C . GLU B 1 152 ? -22.417 -29.460 26.367 1.00 59.07 ? 268 GLU B C 1 ATOM 3824 O O . GLU B 1 152 ? -21.485 -30.242 26.550 1.00 56.37 ? 268 GLU B O 1 ATOM 3825 C CB . GLU B 1 152 ? -23.776 -27.476 27.122 1.00 60.64 ? 268 GLU B CB 1 ATOM 3826 C CG . GLU B 1 152 ? -23.820 -26.223 27.985 1.00 64.47 ? 268 GLU B CG 1 ATOM 3827 C CD . GLU B 1 152 ? -25.233 -25.779 28.309 1.00 69.54 ? 268 GLU B CD 1 ATOM 3828 O OE1 . GLU B 1 152 ? -26.187 -26.404 27.802 1.00 73.62 ? 268 GLU B OE1 1 ATOM 3829 O OE2 . GLU B 1 152 ? -25.387 -24.806 29.078 1.00 75.70 ? 268 GLU B OE2 1 ATOM 3830 N N . GLU B 1 153 ? -23.506 -29.788 25.681 1.00 55.61 ? 269 GLU B N 1 ATOM 3831 C CA . GLU B 1 153 ? -23.649 -31.114 25.089 1.00 55.90 ? 269 GLU B CA 1 ATOM 3832 C C . GLU B 1 153 ? -22.960 -31.207 23.731 1.00 60.09 ? 269 GLU B C 1 ATOM 3833 O O . GLU B 1 153 ? -22.608 -30.192 23.127 1.00 59.02 ? 269 GLU B O 1 ATOM 3834 C CB . GLU B 1 153 ? -25.125 -31.494 24.949 1.00 75.47 ? 269 GLU B CB 1 ATOM 3835 C CG . GLU B 1 153 ? -25.868 -31.634 26.267 1.00 84.53 ? 269 GLU B CG 1 ATOM 3836 C CD . GLU B 1 153 ? -27.198 -32.348 26.110 1.00 92.07 ? 269 GLU B CD 1 ATOM 3837 O OE1 . GLU B 1 153 ? -27.281 -33.273 25.275 1.00 94.45 ? 269 GLU B OE1 1 ATOM 3838 O OE2 . GLU B 1 153 ? -28.161 -31.983 26.817 1.00 95.25 ? 269 GLU B OE2 1 ATOM 3839 N N . ILE B 1 154 ? -22.768 -32.436 23.261 1.00 56.31 ? 270 ILE B N 1 ATOM 3840 C CA . ILE B 1 154 ? -22.216 -32.684 21.936 1.00 59.04 ? 270 ILE B CA 1 ATOM 3841 C C . ILE B 1 154 ? -23.241 -32.313 20.870 1.00 65.61 ? 270 ILE B C 1 ATOM 3842 O O . ILE B 1 154 ? -24.381 -32.773 20.911 1.00 54.51 ? 270 ILE B O 1 ATOM 3843 C CB . ILE B 1 154 ? -21.812 -34.160 21.770 1.00 56.39 ? 270 ILE B CB 1 ATOM 3844 C CG1 . ILE B 1 154 ? -20.670 -34.507 22.726 1.00 51.23 ? 270 ILE B CG1 1 ATOM 3845 C CG2 . ILE B 1 154 ? -21.414 -34.451 20.332 1.00 50.42 ? 270 ILE B CG2 1 ATOM 3846 C CD1 . ILE B 1 154 ? -20.248 -35.960 22.671 1.00 73.97 ? 270 ILE B CD1 1 ATOM 3847 N N . ILE B 1 155 ? -22.830 -31.482 19.917 1.00 62.40 ? 271 ILE B N 1 ATOM 3848 C CA . ILE B 1 155 ? -23.742 -30.974 18.898 1.00 62.51 ? 271 ILE B CA 1 ATOM 3849 C C . ILE B 1 155 ? -23.584 -31.690 17.558 1.00 55.93 ? 271 ILE B C 1 ATOM 3850 O O . ILE B 1 155 ? -22.469 -31.885 17.072 1.00 64.53 ? 271 ILE B O 1 ATOM 3851 C CB . ILE B 1 155 ? -23.545 -29.458 18.676 1.00 60.15 ? 271 ILE B CB 1 ATOM 3852 C CG1 . ILE B 1 155 ? -23.521 -28.717 20.015 1.00 52.54 ? 271 ILE B CG1 1 ATOM 3853 C CG2 . ILE B 1 155 ? -24.631 -28.904 17.765 1.00 59.86 ? 271 ILE B CG2 1 ATOM 3854 C CD1 . ILE B 1 155 ? -24.786 -28.881 20.829 1.00 60.06 ? 271 ILE B CD1 1 ATOM 3855 N N . ILE B 1 156 ? -24.709 -32.078 16.968 1.00 60.84 ? 272 ILE B N 1 ATOM 3856 C CA . ILE B 1 156 ? -24.717 -32.668 15.636 1.00 62.83 ? 272 ILE B CA 1 ATOM 3857 C C . ILE B 1 156 ? -25.121 -31.602 14.625 1.00 63.70 ? 272 ILE B C 1 ATOM 3858 O O . ILE B 1 156 ? -26.201 -31.021 14.727 1.00 68.58 ? 272 ILE B O 1 ATOM 3859 C CB . ILE B 1 156 ? -25.708 -33.841 15.542 1.00 70.61 ? 272 ILE B CB 1 ATOM 3860 C CG1 . ILE B 1 156 ? -25.480 -34.830 16.689 1.00 63.71 ? 272 ILE B CG1 1 ATOM 3861 C CG2 . ILE B 1 156 ? -25.589 -34.534 14.193 1.00 71.81 ? 272 ILE B CG2 1 ATOM 3862 C CD1 . ILE B 1 156 ? -24.095 -35.434 16.712 1.00 66.84 ? 272 ILE B CD1 1 ATOM 3863 N N . ARG B 1 157 ? -24.254 -31.344 13.651 1.00 57.57 ? 273 ARG B N 1 ATOM 3864 C CA . ARG B 1 157 ? -24.513 -30.294 12.672 1.00 54.68 ? 273 ARG B CA 1 ATOM 3865 C C . ARG B 1 157 ? -24.685 -30.850 11.263 1.00 60.26 ? 273 ARG B C 1 ATOM 3866 O O . ARG B 1 157 ? -23.835 -31.591 10.768 1.00 61.36 ? 273 ARG B O 1 ATOM 3867 C CB . ARG B 1 157 ? -23.395 -29.248 12.699 1.00 50.22 ? 273 ARG B CB 1 ATOM 3868 C CG . ARG B 1 157 ? -23.059 -28.753 14.096 1.00 49.98 ? 273 ARG B CG 1 ATOM 3869 C CD . ARG B 1 157 ? -22.090 -27.582 14.066 1.00 51.04 ? 273 ARG B CD 1 ATOM 3870 N NE . ARG B 1 157 ? -21.620 -27.245 15.407 1.00 56.51 ? 273 ARG B NE 1 ATOM 3871 C CZ . ARG B 1 157 ? -22.295 -26.494 16.271 1.00 58.08 ? 273 ARG B CZ 1 ATOM 3872 N NH1 . ARG B 1 157 ? -23.477 -25.993 15.939 1.00 56.44 ? 273 ARG B NH1 1 ATOM 3873 N NH2 . ARG B 1 157 ? -21.789 -26.242 17.470 1.00 48.54 ? 273 ARG B NH2 1 ATOM 3874 N N . SER B 1 158 ? -25.793 -30.486 10.627 1.00 57.70 ? 274 SER B N 1 ATOM 3875 C CA . SER B 1 158 ? -26.068 -30.892 9.254 1.00 60.17 ? 274 SER B CA 1 ATOM 3876 C C . SER B 1 158 ? -27.067 -29.937 8.613 1.00 62.85 ? 274 SER B C 1 ATOM 3877 O O . SER B 1 158 ? -27.925 -29.376 9.293 1.00 103.67 ? 274 SER B O 1 ATOM 3878 C CB . SER B 1 158 ? -26.604 -32.323 9.208 1.00 65.82 ? 274 SER B CB 1 ATOM 3879 O OG . SER B 1 158 ? -26.937 -32.701 7.883 1.00 74.45 ? 274 SER B OG 1 ATOM 3880 N N . GLU B 1 159 ? -26.950 -29.750 7.302 1.00 73.97 ? 275 GLU B N 1 ATOM 3881 C CA . GLU B 1 159 ? -27.898 -28.921 6.568 1.00 76.86 ? 275 GLU B CA 1 ATOM 3882 C C . GLU B 1 159 ? -29.243 -29.635 6.497 1.00 82.02 ? 275 GLU B C 1 ATOM 3883 O O . GLU B 1 159 ? -30.295 -28.999 6.453 1.00 74.20 ? 275 GLU B O 1 ATOM 3884 C CB . GLU B 1 159 ? -27.374 -28.610 5.164 1.00 74.71 ? 275 GLU B CB 1 ATOM 3885 C CG . GLU B 1 159 ? -28.207 -27.596 4.397 1.00 72.42 ? 275 GLU B CG 1 ATOM 3886 C CD . GLU B 1 159 ? -27.568 -27.192 3.082 1.00 74.41 ? 275 GLU B CD 1 ATOM 3887 O OE1 . GLU B 1 159 ? -26.454 -27.674 2.788 1.00 79.49 ? 275 GLU B OE1 1 ATOM 3888 O OE2 . GLU B 1 159 ? -28.178 -26.391 2.343 1.00 77.86 ? 275 GLU B OE2 1 ATOM 3889 N N . ASN B 1 160 ? -29.211 -30.985 6.623 1.00 88.11 ? 276 ASN B N 1 ATOM 3890 C CA . ASN B 1 160 ? -30.413 -31.801 6.514 1.00 96.34 ? 276 ASN B CA 1 ATOM 3891 C C . ASN B 1 160 ? -30.079 -33.246 6.880 1.00 89.76 ? 276 ASN B C 1 ATOM 3892 O O . ASN B 1 160 ? -29.623 -34.008 6.033 1.00 89.64 ? 276 ASN B O 1 ATOM 3893 C CB . ASN B 1 160 ? -30.981 -31.694 5.080 1.00 111.27 ? 276 ASN B CB 1 ATOM 3894 C CG . ASN B 1 160 ? -32.192 -32.596 4.836 1.00 127.52 ? 276 ASN B CG 1 ATOM 3895 O OD1 . ASN B 1 160 ? -32.709 -33.253 5.752 1.00 122.90 ? 276 ASN B OD1 1 ATOM 3896 N ND2 . ASN B 1 160 ? -32.655 -32.618 3.571 1.00 149.39 ? 276 ASN B ND2 1 ATOM 3897 N N . LEU B 1 161 ? -30.320 -33.621 8.146 1.00 85.15 ? 277 LEU B N 1 ATOM 3898 C CA . LEU B 1 161 ? -29.951 -34.937 8.667 1.00 80.88 ? 277 LEU B CA 1 ATOM 3899 C C . LEU B 1 161 ? -30.579 -36.092 7.888 1.00 85.43 ? 277 LEU B C 1 ATOM 3900 O O . LEU B 1 161 ? -30.059 -37.208 7.895 1.00 85.28 ? 277 LEU B O 1 ATOM 3901 C CB . LEU B 1 161 ? -30.311 -35.050 10.151 1.00 76.87 ? 277 LEU B CB 1 ATOM 3902 C CG . LEU B 1 161 ? -29.339 -34.401 11.137 1.00 74.71 ? 277 LEU B CG 1 ATOM 3903 C CD1 . LEU B 1 161 ? -29.901 -34.448 12.546 1.00 77.76 ? 277 LEU B CD1 1 ATOM 3904 C CD2 . LEU B 1 161 ? -27.988 -35.093 11.078 1.00 69.46 ? 277 LEU B CD2 1 ATOM 3905 N N . THR B 1 162 ? -31.698 -35.821 7.225 1.00 91.89 ? 278 THR B N 1 ATOM 3906 C CA . THR B 1 162 ? -32.358 -36.830 6.406 1.00 98.43 ? 278 THR B CA 1 ATOM 3907 C C . THR B 1 162 ? -31.556 -37.074 5.130 1.00 102.72 ? 278 THR B C 1 ATOM 3908 O O . THR B 1 162 ? -31.471 -38.201 4.642 1.00 105.85 ? 278 THR B O 1 ATOM 3909 C CB . THR B 1 162 ? -33.793 -36.406 6.044 1.00 102.07 ? 278 THR B CB 1 ATOM 3910 O OG1 . THR B 1 162 ? -34.513 -36.079 7.239 1.00 99.44 ? 278 THR B OG1 1 ATOM 3911 C CG2 . THR B 1 162 ? -34.517 -37.527 5.311 1.00 110.52 ? 278 THR B CG2 1 ATOM 3912 N N . ASN B 1 163 ? -30.961 -36.009 4.603 1.00 100.38 ? 279 ASN B N 1 ATOM 3913 C CA . ASN B 1 163 ? -30.157 -36.097 3.391 1.00 100.21 ? 279 ASN B CA 1 ATOM 3914 C C . ASN B 1 163 ? -28.794 -36.724 3.673 1.00 96.63 ? 279 ASN B C 1 ATOM 3915 O O . ASN B 1 163 ? -27.950 -36.125 4.340 1.00 78.39 ? 279 ASN B O 1 ATOM 3916 C CB . ASN B 1 163 ? -29.986 -34.711 2.767 1.00 97.75 ? 279 ASN B CB 1 ATOM 3917 C CG . ASN B 1 163 ? -29.608 -34.773 1.299 1.00 95.08 ? 279 ASN B CG 1 ATOM 3918 O OD1 . ASN B 1 163 ? -29.022 -35.751 0.834 1.00 93.05 ? 279 ASN B OD1 1 ATOM 3919 N ND2 . ASN B 1 163 ? -29.944 -33.723 0.559 1.00 89.97 ? 279 ASN B ND2 1 ATOM 3920 N N . ASN B 1 164 ? -28.586 -37.931 3.155 1.00 98.77 ? 280 ASN B N 1 ATOM 3921 C CA . ASN B 1 164 ? -27.345 -38.664 3.391 1.00 92.21 ? 280 ASN B CA 1 ATOM 3922 C C . ASN B 1 164 ? -26.161 -38.117 2.597 1.00 85.19 ? 280 ASN B C 1 ATOM 3923 O O . ASN B 1 164 ? -25.014 -38.483 2.850 1.00 77.96 ? 280 ASN B O 1 ATOM 3924 C CB . ASN B 1 164 ? -27.539 -40.153 3.093 1.00 92.62 ? 280 ASN B CB 1 ATOM 3925 C CG . ASN B 1 164 ? -28.009 -40.404 1.675 1.00 96.99 ? 280 ASN B CG 1 ATOM 3926 O OD1 . ASN B 1 164 ? -29.207 -40.386 1.393 1.00 108.19 ? 280 ASN B OD1 1 ATOM 3927 N ND2 . ASN B 1 164 ? -27.064 -40.643 0.771 1.00 95.68 ? 280 ASN B ND2 1 ATOM 3928 N N . ALA B 1 165 ? -26.443 -37.245 1.635 1.00 88.85 ? 281 ALA B N 1 ATOM 3929 C CA . ALA B 1 165 ? -25.392 -36.619 0.843 1.00 86.70 ? 281 ALA B CA 1 ATOM 3930 C C . ALA B 1 165 ? -24.804 -35.423 1.586 1.00 84.41 ? 281 ALA B C 1 ATOM 3931 O O . ALA B 1 165 ? -23.754 -34.899 1.212 1.00 87.90 ? 281 ALA B O 1 ATOM 3932 C CB . ALA B 1 165 ? -25.930 -36.193 -0.513 1.00 85.19 ? 281 ALA B CB 1 ATOM 3933 N N . LYS B 1 166 ? -25.492 -34.997 2.640 1.00 78.93 ? 282 LYS B N 1 ATOM 3934 C CA . LYS B 1 166 ? -25.052 -33.863 3.442 1.00 75.53 ? 282 LYS B CA 1 ATOM 3935 C C . LYS B 1 166 ? -24.048 -34.287 4.509 1.00 76.42 ? 282 LYS B C 1 ATOM 3936 O O . LYS B 1 166 ? -24.256 -35.274 5.217 1.00 75.75 ? 282 LYS B O 1 ATOM 3937 C CB . LYS B 1 166 ? -26.250 -33.169 4.092 1.00 73.41 ? 282 LYS B CB 1 ATOM 3938 C CG . LYS B 1 166 ? -26.605 -31.826 3.473 1.00 74.01 ? 282 LYS B CG 1 ATOM 3939 C CD . LYS B 1 166 ? -26.877 -31.945 1.984 1.00 79.95 ? 282 LYS B CD 1 ATOM 3940 C CE . LYS B 1 166 ? -27.233 -30.592 1.386 1.00 86.22 ? 282 LYS B CE 1 ATOM 3941 N NZ . LYS B 1 166 ? -27.508 -30.677 -0.074 1.00 94.90 ? 282 LYS B NZ 1 ATOM 3942 N N . THR B 1 167 ? -22.960 -33.532 4.618 1.00 71.99 ? 283 THR B N 1 ATOM 3943 C CA . THR B 1 167 ? -21.910 -33.822 5.588 1.00 68.03 ? 283 THR B CA 1 ATOM 3944 C C . THR B 1 167 ? -22.372 -33.538 7.015 1.00 67.91 ? 283 THR B C 1 ATOM 3945 O O . THR B 1 167 ? -23.024 -32.528 7.278 1.00 67.91 ? 283 THR B O 1 ATOM 3946 C CB . THR B 1 167 ? -20.633 -33.007 5.288 1.00 59.15 ? 283 THR B CB 1 ATOM 3947 O OG1 . THR B 1 167 ? -20.177 -33.302 3.963 1.00 59.39 ? 283 THR B OG1 1 ATOM 3948 C CG2 . THR B 1 167 ? -19.527 -33.340 6.282 1.00 58.30 ? 283 THR B CG2 1 ATOM 3949 N N . ILE B 1 168 ? -22.037 -34.441 7.929 1.00 64.78 ? 284 ILE B N 1 ATOM 3950 C CA . ILE B 1 168 ? -22.381 -34.276 9.333 1.00 60.40 ? 284 ILE B CA 1 ATOM 3951 C C . ILE B 1 168 ? -21.173 -33.812 10.140 1.00 61.70 ? 284 ILE B C 1 ATOM 3952 O O . ILE B 1 168 ? -20.134 -34.473 10.153 1.00 68.04 ? 284 ILE B O 1 ATOM 3953 C CB . ILE B 1 168 ? -22.914 -35.588 9.935 1.00 61.73 ? 284 ILE B CB 1 ATOM 3954 C CG1 . ILE B 1 168 ? -24.155 -36.055 9.169 1.00 61.20 ? 284 ILE B CG1 1 ATOM 3955 C CG2 . ILE B 1 168 ? -23.220 -35.407 11.414 1.00 56.01 ? 284 ILE B CG2 1 ATOM 3956 C CD1 . ILE B 1 168 ? -24.689 -37.396 9.623 1.00 68.32 ? 284 ILE B CD1 1 ATOM 3957 N N . ILE B 1 169 ? -21.311 -32.671 10.806 1.00 57.86 ? 285 ILE B N 1 ATOM 3958 C CA . ILE B 1 169 ? -20.243 -32.149 11.650 1.00 53.82 ? 285 ILE B CA 1 ATOM 3959 C C . ILE B 1 169 ? -20.547 -32.394 13.122 1.00 50.69 ? 285 ILE B C 1 ATOM 3960 O O . ILE B 1 169 ? -21.476 -31.810 13.679 1.00 53.21 ? 285 ILE B O 1 ATOM 3961 C CB . ILE B 1 169 ? -20.027 -30.638 11.436 1.00 51.84 ? 285 ILE B CB 1 ATOM 3962 C CG1 . ILE B 1 169 ? -19.606 -30.354 9.995 1.00 51.12 ? 285 ILE B CG1 1 ATOM 3963 C CG2 . ILE B 1 169 ? -18.985 -30.106 12.409 1.00 50.41 ? 285 ILE B CG2 1 ATOM 3964 C CD1 . ILE B 1 169 ? -19.296 -28.894 9.729 1.00 50.82 ? 285 ILE B CD1 1 ATOM 3965 N N . VAL B 1 170 ? -19.761 -33.263 13.748 1.00 55.93 ? 286 VAL B N 1 ATOM 3966 C CA . VAL B 1 170 ? -19.909 -33.530 15.173 1.00 58.33 ? 286 VAL B CA 1 ATOM 3967 C C . VAL B 1 170 ? -19.031 -32.581 15.977 1.00 55.14 ? 286 VAL B C 1 ATOM 3968 O O . VAL B 1 170 ? -17.815 -32.544 15.796 1.00 56.55 ? 286 VAL B O 1 ATOM 3969 C CB . VAL B 1 170 ? -19.535 -34.981 15.525 1.00 61.63 ? 286 VAL B CB 1 ATOM 3970 C CG1 . VAL B 1 170 ? -19.570 -35.185 17.032 1.00 46.93 ? 286 VAL B CG1 1 ATOM 3971 C CG2 . VAL B 1 170 ? -20.470 -35.958 14.827 1.00 57.58 ? 286 VAL B CG2 1 ATOM 3972 N N . HIS B 1 171 ? -19.651 -31.807 16.860 1.00 55.13 ? 287 HIS B N 1 ATOM 3973 C CA . HIS B 1 171 ? -18.907 -30.879 17.701 1.00 46.37 ? 287 HIS B CA 1 ATOM 3974 C C . HIS B 1 171 ? -18.756 -31.449 19.108 1.00 56.42 ? 287 HIS B C 1 ATOM 3975 O O . HIS B 1 171 ? -19.703 -31.444 19.895 1.00 61.25 ? 287 HIS B O 1 ATOM 3976 C CB . HIS B 1 171 ? -19.604 -29.518 17.752 1.00 46.26 ? 287 HIS B CB 1 ATOM 3977 C CG . HIS B 1 171 ? -18.707 -28.397 18.176 1.00 40.73 ? 287 HIS B CG 1 ATOM 3978 N ND1 . HIS B 1 171 ? -19.180 -27.140 18.485 1.00 51.09 ? 287 HIS B ND1 1 ATOM 3979 C CD2 . HIS B 1 171 ? -17.363 -28.341 18.333 1.00 43.24 ? 287 HIS B CD2 1 ATOM 3980 C CE1 . HIS B 1 171 ? -18.168 -26.359 18.819 1.00 45.65 ? 287 HIS B CE1 1 ATOM 3981 N NE2 . HIS B 1 171 ? -17.054 -27.065 18.734 1.00 41.32 ? 287 HIS B NE2 1 ATOM 3982 N N . LEU B 1 172 ? -17.562 -31.948 19.414 1.00 51.93 ? 288 LEU B N 1 ATOM 3983 C CA . LEU B 1 172 ? -17.283 -32.535 20.719 1.00 59.18 ? 288 LEU B CA 1 ATOM 3984 C C . LEU B 1 172 ? -17.259 -31.463 21.803 1.00 53.58 ? 288 LEU B C 1 ATOM 3985 O O . LEU B 1 172 ? -16.965 -30.300 21.528 1.00 44.89 ? 288 LEU B O 1 ATOM 3986 C CB . LEU B 1 172 ? -15.948 -33.281 20.692 1.00 56.11 ? 288 LEU B CB 1 ATOM 3987 C CG . LEU B 1 172 ? -15.799 -34.387 19.646 1.00 52.91 ? 288 LEU B CG 1 ATOM 3988 C CD1 . LEU B 1 172 ? -14.415 -35.018 19.729 1.00 55.07 ? 288 LEU B CD1 1 ATOM 3989 C CD2 . LEU B 1 172 ? -16.886 -35.437 19.816 1.00 51.70 ? 288 LEU B CD2 1 ATOM 3990 N N . ASN B 1 173 ? -17.574 -31.862 23.032 1.00 57.56 ? 289 ASN B N 1 ATOM 3991 C CA . ASN B 1 173 ? -17.549 -30.942 24.164 1.00 60.83 ? 289 ASN B CA 1 ATOM 3992 C C . ASN B 1 173 ? -16.389 -31.245 25.107 1.00 51.46 ? 289 ASN B C 1 ATOM 3993 O O . ASN B 1 173 ? -16.279 -30.666 26.188 1.00 55.18 ? 289 ASN B O 1 ATOM 3994 C CB . ASN B 1 173 ? -18.884 -30.964 24.914 1.00 65.44 ? 289 ASN B CB 1 ATOM 3995 C CG . ASN B 1 173 ? -19.209 -32.323 25.501 1.00 79.20 ? 289 ASN B CG 1 ATOM 3996 O OD1 . ASN B 1 173 ? -18.629 -33.338 25.114 1.00 74.37 ? 289 ASN B OD1 1 ATOM 3997 N ND2 . ASN B 1 173 ? -20.150 -32.350 26.440 1.00 103.35 ? 289 ASN B ND2 1 ATOM 3998 N N . LYS B 1 174 ? -15.522 -32.157 24.679 1.00 53.18 ? 290 LYS B N 1 ATOM 3999 C CA . LYS B 1 174 ? -14.354 -32.549 25.458 1.00 51.38 ? 290 LYS B CA 1 ATOM 4000 C C . LYS B 1 174 ? -13.260 -33.066 24.529 1.00 52.02 ? 290 LYS B C 1 ATOM 4001 O O . LYS B 1 174 ? -13.470 -34.015 23.773 1.00 58.33 ? 290 LYS B O 1 ATOM 4002 C CB . LYS B 1 174 ? -14.739 -33.607 26.497 1.00 66.10 ? 290 LYS B CB 1 ATOM 4003 C CG . LYS B 1 174 ? -13.569 -34.232 27.239 1.00 74.48 ? 290 LYS B CG 1 ATOM 4004 C CD . LYS B 1 174 ? -14.051 -34.945 28.495 1.00 89.05 ? 290 LYS B CD 1 ATOM 4005 C CE . LYS B 1 174 ? -13.082 -36.029 28.931 1.00 97.08 ? 290 LYS B CE 1 ATOM 4006 N NZ . LYS B 1 174 ? -13.091 -37.185 27.990 1.00 100.30 ? 290 LYS B NZ 1 ATOM 4007 N N . SER B 1 175 ? -12.093 -32.431 24.586 1.00 51.75 ? 291 SER B N 1 ATOM 4008 C CA . SER B 1 175 ? -10.993 -32.760 23.685 1.00 48.71 ? 291 SER B CA 1 ATOM 4009 C C . SER B 1 175 ? -10.404 -34.139 23.944 1.00 59.22 ? 291 SER B C 1 ATOM 4010 O O . SER B 1 175 ? -10.334 -34.598 25.085 1.00 64.88 ? 291 SER B O 1 ATOM 4011 C CB . SER B 1 175 ? -9.888 -31.705 23.777 1.00 45.27 ? 291 SER B CB 1 ATOM 4012 O OG . SER B 1 175 ? -10.322 -30.459 23.262 1.00 61.97 ? 291 SER B OG 1 ATOM 4013 N N . VAL B 1 176 ? -9.984 -34.795 22.868 1.00 55.07 ? 292 VAL B N 1 ATOM 4014 C CA . VAL B 1 176 ? -9.267 -36.057 22.959 1.00 53.41 ? 292 VAL B CA 1 ATOM 4015 C C . VAL B 1 176 ? -7.933 -35.910 22.240 1.00 46.95 ? 292 VAL B C 1 ATOM 4016 O O . VAL B 1 176 ? -7.893 -35.727 21.024 1.00 46.86 ? 292 VAL B O 1 ATOM 4017 C CB . VAL B 1 176 ? -10.065 -37.212 22.325 1.00 57.27 ? 292 VAL B CB 1 ATOM 4018 C CG1 . VAL B 1 176 ? -9.254 -38.499 22.359 1.00 59.63 ? 292 VAL B CG1 1 ATOM 4019 C CG2 . VAL B 1 176 ? -11.397 -37.394 23.039 1.00 50.08 ? 292 VAL B CG2 1 ATOM 4020 N N . GLU B 1 177 ? -6.844 -35.973 22.998 1.00 39.13 ? 293 GLU B N 1 ATOM 4021 C CA . GLU B 1 177 ? -5.510 -35.799 22.436 1.00 48.61 ? 293 GLU B CA 1 ATOM 4022 C C . GLU B 1 177 ? -5.160 -36.887 21.431 1.00 43.27 ? 293 GLU B C 1 ATOM 4023 O O . GLU B 1 177 ? -5.513 -38.054 21.608 1.00 42.14 ? 293 GLU B O 1 ATOM 4024 C CB . GLU B 1 177 ? -4.448 -35.767 23.540 1.00 50.88 ? 293 GLU B CB 1 ATOM 4025 C CG . GLU B 1 177 ? -4.103 -34.375 24.040 1.00 61.36 ? 293 GLU B CG 1 ATOM 4026 C CD . GLU B 1 177 ? -2.823 -34.352 24.854 1.00 67.21 ? 293 GLU B CD 1 ATOM 4027 O OE1 . GLU B 1 177 ? -2.312 -35.441 25.196 1.00 68.55 ? 293 GLU B OE1 1 ATOM 4028 O OE2 . GLU B 1 177 ? -2.323 -33.247 25.147 1.00 70.97 ? 293 GLU B OE2 1 ATOM 4029 N N . ILE B 1 178 ? -4.471 -36.492 20.368 1.00 41.76 ? 294 ILE B N 1 ATOM 4030 C CA . ILE B 1 178 ? -3.913 -37.448 19.426 1.00 39.75 ? 294 ILE B CA 1 ATOM 4031 C C . ILE B 1 178 ? -2.429 -37.154 19.227 1.00 36.81 ? 294 ILE B C 1 ATOM 4032 O O . ILE B 1 178 ? -2.045 -36.055 18.830 1.00 35.60 ? 294 ILE B O 1 ATOM 4033 C CB . ILE B 1 178 ? -4.691 -37.476 18.086 1.00 44.11 ? 294 ILE B CB 1 ATOM 4034 C CG1 . ILE B 1 178 ? -4.021 -38.435 17.097 1.00 45.78 ? 294 ILE B CG1 1 ATOM 4035 C CG2 . ILE B 1 178 ? -4.835 -36.074 17.500 1.00 47.38 ? 294 ILE B CG2 1 ATOM 4036 C CD1 . ILE B 1 178 ? -4.859 -38.734 15.870 1.00 39.78 ? 294 ILE B CD1 1 ATOM 4037 N N . ASN B 1 179 ? -1.595 -38.138 19.544 1.00 42.75 ? 295 ASN B N 1 ATOM 4038 C CA . ASN B 1 179 ? -0.152 -37.942 19.540 1.00 48.49 ? 295 ASN B CA 1 ATOM 4039 C C . ASN B 1 179 ? 0.512 -38.638 18.362 1.00 44.87 ? 295 ASN B C 1 ATOM 4040 O O . ASN B 1 179 ? 0.802 -39.833 18.418 1.00 47.72 ? 295 ASN B O 1 ATOM 4041 C CB . ASN B 1 179 ? 0.449 -38.446 20.852 1.00 46.65 ? 295 ASN B CB 1 ATOM 4042 C CG . ASN B 1 179 ? 1.856 -37.936 21.083 1.00 51.09 ? 295 ASN B CG 1 ATOM 4043 O OD1 . ASN B 1 179 ? 2.513 -37.440 20.166 1.00 44.89 ? 295 ASN B OD1 1 ATOM 4044 N ND2 . ASN B 1 179 ? 2.328 -38.057 22.317 1.00 62.76 ? 295 ASN B ND2 1 ATOM 4045 N N . CYS B 1 180 ? 0.760 -37.880 17.301 1.00 51.38 ? 296 CYS B N 1 ATOM 4046 C CA . CYS B 1 180 ? 1.334 -38.430 16.080 1.00 49.78 ? 296 CYS B CA 1 ATOM 4047 C C . CYS B 1 180 ? 2.839 -38.193 16.024 1.00 44.36 ? 296 CYS B C 1 ATOM 4048 O O . CYS B 1 180 ? 3.308 -37.075 16.235 1.00 41.04 ? 296 CYS B O 1 ATOM 4049 C CB . CYS B 1 180 ? 0.648 -37.820 14.858 1.00 46.29 ? 296 CYS B CB 1 ATOM 4050 S SG . CYS B 1 180 ? -1.155 -37.908 14.937 1.00 53.80 ? 296 CYS B SG 1 ATOM 4051 N N . THR B 1 181 ? 3.592 -39.248 15.734 1.00 41.32 ? 297 THR B N 1 ATOM 4052 C CA . THR B 1 181 ? 5.047 -39.164 15.776 1.00 44.63 ? 297 THR B CA 1 ATOM 4053 C C . THR B 1 181 ? 5.742 -39.937 14.659 1.00 47.47 ? 297 THR B C 1 ATOM 4054 O O . THR B 1 181 ? 5.463 -41.114 14.432 1.00 42.80 ? 297 THR B O 1 ATOM 4055 C CB . THR B 1 181 ? 5.596 -39.667 17.133 1.00 47.13 ? 297 THR B CB 1 ATOM 4056 O OG1 . THR B 1 181 ? 5.060 -38.870 18.197 1.00 48.58 ? 297 THR B OG1 1 ATOM 4057 C CG2 . THR B 1 181 ? 7.116 -39.590 17.163 1.00 46.85 ? 297 THR B CG2 1 ATOM 4058 N N . ARG B 1 182 ? 6.641 -39.257 13.955 1.00 50.09 ? 298 ARG B N 1 ATOM 4059 C CA . ARG B 1 182 ? 7.627 -39.928 13.121 1.00 48.43 ? 298 ARG B CA 1 ATOM 4060 C C . ARG B 1 182 ? 8.919 -39.921 13.924 1.00 49.56 ? 298 ARG B C 1 ATOM 4061 O O . ARG B 1 182 ? 9.626 -38.913 13.957 1.00 47.76 ? 298 ARG B O 1 ATOM 4062 C CB . ARG B 1 182 ? 7.820 -39.191 11.794 1.00 44.18 ? 298 ARG B CB 1 ATOM 4063 C CG . ARG B 1 182 ? 8.328 -40.062 10.642 1.00 52.67 ? 298 ARG B CG 1 ATOM 4064 C CD . ARG B 1 182 ? 9.741 -40.591 10.870 1.00 43.30 ? 298 ARG B CD 1 ATOM 4065 N NE . ARG B 1 182 ? 10.705 -39.518 11.104 1.00 42.25 ? 298 ARG B NE 1 ATOM 4066 C CZ . ARG B 1 182 ? 11.443 -38.956 10.152 1.00 52.94 ? 298 ARG B CZ 1 ATOM 4067 N NH1 . ARG B 1 182 ? 11.329 -39.362 8.895 1.00 52.40 ? 298 ARG B NH1 1 ATOM 4068 N NH2 . ARG B 1 182 ? 12.296 -37.988 10.456 1.00 41.78 ? 298 ARG B NH2 1 ATOM 4069 N N . PRO B 1 183 ? 9.228 -41.048 14.580 1.00 49.30 ? 299 PRO B N 1 ATOM 4070 C CA . PRO B 1 183 ? 10.371 -41.119 15.495 1.00 45.03 ? 299 PRO B CA 1 ATOM 4071 C C . PRO B 1 183 ? 11.701 -40.954 14.771 1.00 58.79 ? 299 PRO B C 1 ATOM 4072 O O . PRO B 1 183 ? 11.814 -41.314 13.599 1.00 60.25 ? 299 PRO B O 1 ATOM 4073 C CB . PRO B 1 183 ? 10.260 -42.530 16.080 1.00 48.00 ? 299 PRO B CB 1 ATOM 4074 C CG . PRO B 1 183 ? 9.541 -43.311 15.034 1.00 48.59 ? 299 PRO B CG 1 ATOM 4075 C CD . PRO B 1 183 ? 8.558 -42.352 14.429 1.00 45.59 ? 299 PRO B CD 1 ATOM 4076 N N . SER B 1 184 ? 12.690 -40.399 15.464 1.00 56.88 ? 300 SER B N 1 ATOM 4077 C CA . SER B 1 184 ? 14.039 -40.315 14.925 1.00 65.80 ? 300 SER B CA 1 ATOM 4078 C C . SER B 1 184 ? 14.629 -41.718 14.873 1.00 78.55 ? 300 SER B C 1 ATOM 4079 O O . SER B 1 184 ? 14.452 -42.503 15.806 1.00 86.46 ? 300 SER B O 1 ATOM 4080 C CB . SER B 1 184 ? 14.906 -39.403 15.795 1.00 66.09 ? 300 SER B CB 1 ATOM 4081 O OG . SER B 1 184 ? 16.198 -39.241 15.237 1.00 74.07 ? 300 SER B OG 1 ATOM 4082 N N . ASN B 1 185 ? 15.322 -42.027 13.780 1.00 91.94 ? 301 ASN B N 1 ATOM 4083 C CA . ASN B 1 185 ? 15.869 -43.363 13.547 1.00 104.58 ? 301 ASN B CA 1 ATOM 4084 C C . ASN B 1 185 ? 14.782 -44.436 13.596 1.00 106.71 ? 301 ASN B C 1 ATOM 4085 O O . ASN B 1 185 ? 13.770 -44.340 12.901 1.00 102.73 ? 301 ASN B O 1 ATOM 4086 C CB . ASN B 1 185 ? 16.989 -43.679 14.548 1.00 110.01 ? 301 ASN B CB 1 ATOM 4087 C CG . ASN B 1 185 ? 17.819 -44.888 14.145 1.00 118.34 ? 301 ASN B CG 1 ATOM 4088 O OD1 . ASN B 1 185 ? 17.371 -45.745 13.382 1.00 119.93 ? 301 ASN B OD1 1 ATOM 4089 N ND2 . ASN B 1 185 ? 19.039 -44.962 14.662 1.00 122.33 ? 301 ASN B ND2 1 ATOM 4090 N N . GLY B 1 192 ? 15.204 -47.299 9.684 1.00 108.14 ? 324 GLY B N 1 ATOM 4091 C CA . GLY B 1 192 ? 14.201 -48.149 9.070 1.00 108.97 ? 324 GLY B CA 1 ATOM 4092 C C . GLY B 1 192 ? 13.473 -47.455 7.934 1.00 103.08 ? 324 GLY B C 1 ATOM 4093 O O . GLY B 1 192 ? 14.091 -47.033 6.956 1.00 105.39 ? 324 GLY B O 1 ATOM 4094 N N . ASP B 1 193 ? 12.155 -47.338 8.063 1.00 91.81 ? 325 ASP B N 1 ATOM 4095 C CA . ASP B 1 193 ? 11.347 -46.673 7.049 1.00 81.68 ? 325 ASP B CA 1 ATOM 4096 C C . ASP B 1 193 ? 11.040 -45.234 7.455 1.00 70.05 ? 325 ASP B C 1 ATOM 4097 O O . ASP B 1 193 ? 10.299 -44.989 8.407 1.00 59.76 ? 325 ASP B O 1 ATOM 4098 C CB . ASP B 1 193 ? 10.050 -47.444 6.796 1.00 84.86 ? 325 ASP B CB 1 ATOM 4099 C CG . ASP B 1 193 ? 9.270 -46.898 5.617 1.00 87.54 ? 325 ASP B CG 1 ATOM 4100 O OD1 . ASP B 1 193 ? 9.890 -46.270 4.734 1.00 89.21 ? 325 ASP B OD1 1 ATOM 4101 O OD2 . ASP B 1 193 ? 8.039 -47.099 5.569 1.00 91.60 ? 325 ASP B OD2 1 ATOM 4102 N N . ILE B 1 194 ? 11.606 -44.288 6.712 1.00 68.21 ? 326 ILE B N 1 ATOM 4103 C CA . ILE B 1 194 ? 11.517 -42.872 7.055 1.00 66.17 ? 326 ILE B CA 1 ATOM 4104 C C . ILE B 1 194 ? 10.127 -42.264 6.851 1.00 49.36 ? 326 ILE B C 1 ATOM 4105 O O . ILE B 1 194 ? 9.896 -41.105 7.198 1.00 48.20 ? 326 ILE B O 1 ATOM 4106 C CB . ILE B 1 194 ? 12.570 -42.045 6.283 1.00 69.39 ? 326 ILE B CB 1 ATOM 4107 C CG1 . ILE B 1 194 ? 12.511 -42.352 4.785 1.00 67.36 ? 326 ILE B CG1 1 ATOM 4108 C CG2 . ILE B 1 194 ? 13.966 -42.336 6.814 1.00 66.30 ? 326 ILE B CG2 1 ATOM 4109 C CD1 . ILE B 1 194 ? 11.731 -41.341 3.975 1.00 70.83 ? 326 ILE B CD1 1 ATOM 4110 N N . ARG B 1 195 ? 9.202 -43.043 6.298 1.00 54.40 ? 327 ARG B N 1 ATOM 4111 C CA . ARG B 1 195 ? 7.844 -42.557 6.066 1.00 51.54 ? 327 ARG B CA 1 ATOM 4112 C C . ARG B 1 195 ? 6.841 -43.143 7.053 1.00 49.03 ? 327 ARG B C 1 ATOM 4113 O O . ARG B 1 195 ? 5.713 -42.660 7.161 1.00 52.54 ? 327 ARG B O 1 ATOM 4114 C CB . ARG B 1 195 ? 7.399 -42.848 4.632 1.00 51.52 ? 327 ARG B CB 1 ATOM 4115 C CG . ARG B 1 195 ? 8.205 -42.116 3.581 1.00 51.96 ? 327 ARG B CG 1 ATOM 4116 C CD . ARG B 1 195 ? 7.676 -42.400 2.188 1.00 54.58 ? 327 ARG B CD 1 ATOM 4117 N NE . ARG B 1 195 ? 8.573 -41.889 1.159 1.00 62.80 ? 327 ARG B NE 1 ATOM 4118 C CZ . ARG B 1 195 ? 9.657 -42.529 0.734 1.00 68.12 ? 327 ARG B CZ 1 ATOM 4119 N NH1 . ARG B 1 195 ? 9.979 -43.705 1.258 1.00 60.23 ? 327 ARG B NH1 1 ATOM 4120 N NH2 . ARG B 1 195 ? 10.421 -41.995 -0.209 1.00 73.59 ? 327 ARG B NH2 1 ATOM 4121 N N . LYS B 1 196 ? 7.249 -44.186 7.769 1.00 59.95 ? 328 LYS B N 1 ATOM 4122 C CA . LYS B 1 196 ? 6.387 -44.791 8.777 1.00 54.92 ? 328 LYS B CA 1 ATOM 4123 C C . LYS B 1 196 ? 6.219 -43.874 9.983 1.00 51.97 ? 328 LYS B C 1 ATOM 4124 O O . LYS B 1 196 ? 7.195 -43.372 10.540 1.00 55.04 ? 328 LYS B O 1 ATOM 4125 C CB . LYS B 1 196 ? 6.926 -46.155 9.217 1.00 59.05 ? 328 LYS B CB 1 ATOM 4126 C CG . LYS B 1 196 ? 6.504 -47.304 8.316 1.00 68.26 ? 328 LYS B CG 1 ATOM 4127 C CD . LYS B 1 196 ? 7.193 -48.606 8.697 1.00 75.59 ? 328 LYS B CD 1 ATOM 4128 C CE . LYS B 1 196 ? 6.903 -49.698 7.674 1.00 77.26 ? 328 LYS B CE 1 ATOM 4129 N NZ . LYS B 1 196 ? 7.697 -50.934 7.928 1.00 77.83 ? 328 LYS B NZ 1 ATOM 4130 N N . ALA B 1 197 ? 4.968 -43.653 10.372 1.00 47.00 ? 329 ALA B N 1 ATOM 4131 C CA . ALA B 1 197 ? 4.654 -42.874 11.559 1.00 45.98 ? 329 ALA B CA 1 ATOM 4132 C C . ALA B 1 197 ? 3.491 -43.531 12.286 1.00 49.96 ? 329 ALA B C 1 ATOM 4133 O O . ALA B 1 197 ? 2.978 -44.557 11.843 1.00 48.09 ? 329 ALA B O 1 ATOM 4134 C CB . ALA B 1 197 ? 4.312 -41.444 11.184 1.00 43.41 ? 329 ALA B CB 1 ATOM 4135 N N . TYR B 1 198 ? 3.075 -42.939 13.399 1.00 48.12 ? 330 TYR B N 1 ATOM 4136 C CA . TYR B 1 198 ? 1.967 -43.483 14.173 1.00 52.81 ? 330 TYR B CA 1 ATOM 4137 C C . TYR B 1 198 ? 1.314 -42.422 15.050 1.00 50.93 ? 330 TYR B C 1 ATOM 4138 O O . TYR B 1 198 ? 1.963 -41.464 15.467 1.00 47.84 ? 330 TYR B O 1 ATOM 4139 C CB . TYR B 1 198 ? 2.438 -44.661 15.031 1.00 56.97 ? 330 TYR B CB 1 ATOM 4140 C CG . TYR B 1 198 ? 3.611 -44.340 15.930 1.00 57.77 ? 330 TYR B CG 1 ATOM 4141 C CD1 . TYR B 1 198 ? 3.413 -43.805 17.198 1.00 61.48 ? 330 TYR B CD1 1 ATOM 4142 C CD2 . TYR B 1 198 ? 4.915 -44.575 15.515 1.00 59.43 ? 330 TYR B CD2 1 ATOM 4143 C CE1 . TYR B 1 198 ? 4.482 -43.511 18.025 1.00 62.55 ? 330 TYR B CE1 1 ATOM 4144 C CE2 . TYR B 1 198 ? 5.991 -44.283 16.335 1.00 66.14 ? 330 TYR B CE2 1 ATOM 4145 C CZ . TYR B 1 198 ? 5.767 -43.751 17.589 1.00 62.07 ? 330 TYR B CZ 1 ATOM 4146 O OH . TYR B 1 198 ? 6.831 -43.459 18.410 1.00 66.36 ? 330 TYR B OH 1 ATOM 4147 N N . CYS B 1 199 ? 0.025 -42.599 15.323 1.00 52.95 ? 331 CYS B N 1 ATOM 4148 C CA . CYS B 1 199 ? -0.705 -41.708 16.217 1.00 46.49 ? 331 CYS B CA 1 ATOM 4149 C C . CYS B 1 199 ? -1.247 -42.475 17.416 1.00 53.93 ? 331 CYS B C 1 ATOM 4150 O O . CYS B 1 199 ? -2.000 -43.438 17.258 1.00 55.95 ? 331 CYS B O 1 ATOM 4151 C CB . CYS B 1 199 ? -1.853 -41.020 15.476 1.00 47.77 ? 331 CYS B CB 1 ATOM 4152 S SG . CYS B 1 199 ? -1.337 -39.809 14.241 1.00 49.52 ? 331 CYS B SG 1 ATOM 4153 N N . GLU B 1 200 ? -0.861 -42.048 18.614 1.00 47.21 ? 332 GLU B N 1 ATOM 4154 C CA . GLU B 1 200 ? -1.332 -42.683 19.838 1.00 54.27 ? 332 GLU B CA 1 ATOM 4155 C C . GLU B 1 200 ? -2.476 -41.899 20.475 1.00 55.54 ? 332 GLU B C 1 ATOM 4156 O O . GLU B 1 200 ? -2.410 -40.676 20.601 1.00 53.69 ? 332 GLU B O 1 ATOM 4157 C CB . GLU B 1 200 ? -0.183 -42.861 20.832 1.00 52.61 ? 332 GLU B CB 1 ATOM 4158 C CG . GLU B 1 200 ? 0.835 -43.907 20.410 1.00 64.67 ? 332 GLU B CG 1 ATOM 4159 C CD . GLU B 1 200 ? 1.972 -44.048 21.402 1.00 74.56 ? 332 GLU B CD 1 ATOM 4160 O OE1 . GLU B 1 200 ? 2.381 -43.024 21.988 1.00 76.24 ? 332 GLU B OE1 1 ATOM 4161 O OE2 . GLU B 1 200 ? 2.454 -45.185 21.596 1.00 73.22 ? 332 GLU B OE2 1 ATOM 4162 N N . ILE B 1 201 ? -3.525 -42.617 20.862 1.00 54.10 ? 333 ILE B N 1 ATOM 4163 C CA . ILE B 1 201 ? -4.696 -42.013 21.487 1.00 53.90 ? 333 ILE B CA 1 ATOM 4164 C C . ILE B 1 201 ? -5.103 -42.828 22.711 1.00 54.56 ? 333 ILE B C 1 ATOM 4165 O O . ILE B 1 201 ? -5.127 -44.058 22.662 1.00 64.87 ? 333 ILE B O 1 ATOM 4166 C CB . ILE B 1 201 ? -5.896 -41.943 20.508 1.00 63.12 ? 333 ILE B CB 1 ATOM 4167 C CG1 . ILE B 1 201 ? -5.564 -41.075 19.292 1.00 68.32 ? 333 ILE B CG1 1 ATOM 4168 C CG2 . ILE B 1 201 ? -7.137 -41.406 21.207 1.00 57.41 ? 333 ILE B CG2 1 ATOM 4169 C CD1 . ILE B 1 201 ? -5.037 -41.853 18.101 1.00 74.34 ? 333 ILE B CD1 1 ATOM 4170 N N . ASN B 1 202 ? -5.409 -42.142 23.808 1.00 53.67 ? 334 ASN B N 1 ATOM 4171 C CA . ASN B 1 202 ? -5.911 -42.799 25.009 1.00 54.32 ? 334 ASN B CA 1 ATOM 4172 C C . ASN B 1 202 ? -7.226 -43.507 24.703 1.00 59.59 ? 334 ASN B C 1 ATOM 4173 O O . ASN B 1 202 ? -8.264 -42.865 24.541 1.00 55.99 ? 334 ASN B O 1 ATOM 4174 C CB . ASN B 1 202 ? -6.096 -41.779 26.137 1.00 61.09 ? 334 ASN B CB 1 ATOM 4175 C CG . ASN B 1 202 ? -6.286 -42.431 27.498 1.00 75.34 ? 334 ASN B CG 1 ATOM 4176 O OD1 . ASN B 1 202 ? -6.997 -43.427 27.633 1.00 69.35 ? 334 ASN B OD1 1 ATOM 4177 N ND2 . ASN B 1 202 ? -5.644 -41.866 28.517 1.00 97.77 ? 334 ASN B ND2 1 ATOM 4178 N N . GLY B 1 203 ? -7.171 -44.833 24.621 1.00 65.02 ? 335 GLY B N 1 ATOM 4179 C CA . GLY B 1 203 ? -8.318 -45.636 24.233 1.00 75.95 ? 335 GLY B CA 1 ATOM 4180 C C . GLY B 1 203 ? -9.530 -45.479 25.130 1.00 82.57 ? 335 GLY B C 1 ATOM 4181 O O . GLY B 1 203 ? -10.668 -45.555 24.668 1.00 83.30 ? 335 GLY B O 1 ATOM 4182 N N . THR B 1 204 ? -9.284 -45.260 26.417 1.00 78.94 ? 336 THR B N 1 ATOM 4183 C CA . THR B 1 204 ? -10.360 -45.099 27.386 1.00 75.11 ? 336 THR B CA 1 ATOM 4184 C C . THR B 1 204 ? -11.172 -43.840 27.103 1.00 74.00 ? 336 THR B C 1 ATOM 4185 O O . THR B 1 204 ? -12.402 -43.865 27.129 1.00 77.59 ? 336 THR B O 1 ATOM 4186 C CB . THR B 1 204 ? -9.815 -45.043 28.827 1.00 85.00 ? 336 THR B CB 1 ATOM 4187 O OG1 . THR B 1 204 ? -9.045 -46.221 29.094 1.00 87.18 ? 336 THR B OG1 1 ATOM 4188 C CG2 . THR B 1 204 ? -10.956 -44.951 29.829 1.00 89.97 ? 336 THR B CG2 1 ATOM 4189 N N . LYS B 1 205 ? -10.478 -42.742 26.824 1.00 79.40 ? 337 LYS B N 1 ATOM 4190 C CA . LYS B 1 205 ? -11.135 -41.462 26.581 1.00 78.90 ? 337 LYS B CA 1 ATOM 4191 C C . LYS B 1 205 ? -11.844 -41.400 25.230 1.00 76.04 ? 337 LYS B C 1 ATOM 4192 O O . LYS B 1 205 ? -12.917 -40.808 25.117 1.00 73.33 ? 337 LYS B O 1 ATOM 4193 C CB . LYS B 1 205 ? -10.141 -40.305 26.715 1.00 72.65 ? 337 LYS B CB 1 ATOM 4194 C CG . LYS B 1 205 ? -9.742 -40.002 28.150 1.00 83.21 ? 337 LYS B CG 1 ATOM 4195 C CD . LYS B 1 205 ? -8.822 -38.795 28.236 1.00 81.24 ? 337 LYS B CD 1 ATOM 4196 C CE . LYS B 1 205 ? -8.519 -38.440 29.684 1.00 88.89 ? 337 LYS B CE 1 ATOM 4197 N NZ . LYS B 1 205 ? -7.609 -37.268 29.797 1.00 88.69 ? 337 LYS B NZ 1 ATOM 4198 N N . TRP B 1 206 ? -11.246 -42.009 24.210 1.00 73.35 ? 338 TRP B N 1 ATOM 4199 C CA . TRP B 1 206 ? -11.839 -41.997 22.875 1.00 68.93 ? 338 TRP B CA 1 ATOM 4200 C C . TRP B 1 206 ? -13.112 -42.831 22.802 1.00 76.56 ? 338 TRP B C 1 ATOM 4201 O O . TRP B 1 206 ? -14.144 -42.359 22.323 1.00 75.93 ? 338 TRP B O 1 ATOM 4202 C CB . TRP B 1 206 ? -10.840 -42.483 21.824 1.00 65.18 ? 338 TRP B CB 1 ATOM 4203 C CG . TRP B 1 206 ? -11.474 -42.701 20.483 1.00 62.51 ? 338 TRP B CG 1 ATOM 4204 C CD1 . TRP B 1 206 ? -11.809 -43.899 19.919 1.00 64.22 ? 338 TRP B CD1 1 ATOM 4205 C CD2 . TRP B 1 206 ? -11.869 -41.692 19.546 1.00 60.75 ? 338 TRP B CD2 1 ATOM 4206 N NE1 . TRP B 1 206 ? -12.379 -43.697 18.685 1.00 68.59 ? 338 TRP B NE1 1 ATOM 4207 C CE2 . TRP B 1 206 ? -12.427 -42.351 18.432 1.00 64.69 ? 338 TRP B CE2 1 ATOM 4208 C CE3 . TRP B 1 206 ? -11.800 -40.295 19.539 1.00 61.42 ? 338 TRP B CE3 1 ATOM 4209 C CZ2 . TRP B 1 206 ? -12.915 -41.662 17.323 1.00 60.73 ? 338 TRP B CZ2 1 ATOM 4210 C CZ3 . TRP B 1 206 ? -12.285 -39.613 18.436 1.00 57.33 ? 338 TRP B CZ3 1 ATOM 4211 C CH2 . TRP B 1 206 ? -12.835 -40.296 17.345 1.00 54.62 ? 338 TRP B CH2 1 ATOM 4212 N N . ASN B 1 207 ? -13.033 -44.073 23.273 1.00 74.16 ? 339 ASN B N 1 ATOM 4213 C CA . ASN B 1 207 ? -14.175 -44.979 23.246 1.00 75.85 ? 339 ASN B CA 1 ATOM 4214 C C . ASN B 1 207 ? -15.355 -44.446 24.052 1.00 72.93 ? 339 ASN B C 1 ATOM 4215 O O . ASN B 1 207 ? -16.510 -44.735 23.742 1.00 73.25 ? 339 ASN B O 1 ATOM 4216 C CB . ASN B 1 207 ? -13.773 -46.366 23.754 1.00 81.85 ? 339 ASN B CB 1 ATOM 4217 C CG . ASN B 1 207 ? -12.760 -47.045 22.854 1.00 85.67 ? 339 ASN B CG 1 ATOM 4218 O OD1 . ASN B 1 207 ? -12.777 -46.865 21.636 1.00 86.53 ? 339 ASN B OD1 1 ATOM 4219 N ND2 . ASN B 1 207 ? -11.872 -47.833 23.449 1.00 91.92 ? 339 ASN B ND2 1 ATOM 4220 N N . LYS B 1 208 ? -15.054 -43.665 25.083 1.00 70.34 ? 340 LYS B N 1 ATOM 4221 C CA . LYS B 1 208 ? -16.086 -43.053 25.907 1.00 72.49 ? 340 LYS B CA 1 ATOM 4222 C C . LYS B 1 208 ? -16.790 -41.940 25.141 1.00 68.88 ? 340 LYS B C 1 ATOM 4223 O O . LYS B 1 208 ? -18.018 -41.899 25.076 1.00 63.32 ? 340 LYS B O 1 ATOM 4224 C CB . LYS B 1 208 ? -15.483 -42.498 27.198 1.00 74.68 ? 340 LYS B CB 1 ATOM 4225 C CG . LYS B 1 208 ? -16.488 -41.809 28.106 1.00 84.00 ? 340 LYS B CG 1 ATOM 4226 C CD . LYS B 1 208 ? -15.816 -41.265 29.354 1.00 96.24 ? 340 LYS B CD 1 ATOM 4227 C CE . LYS B 1 208 ? -16.818 -40.567 30.260 1.00 109.31 ? 340 LYS B CE 1 ATOM 4228 N NZ . LYS B 1 208 ? -16.175 -40.055 31.503 1.00 118.44 ? 340 LYS B NZ 1 ATOM 4229 N N . VAL B 1 209 ? -15.998 -41.041 24.564 1.00 57.88 ? 341 VAL B N 1 ATOM 4230 C CA . VAL B 1 209 ? -16.527 -39.937 23.771 1.00 64.16 ? 341 VAL B CA 1 ATOM 4231 C C . VAL B 1 209 ? -17.275 -40.460 22.549 1.00 65.21 ? 341 VAL B C 1 ATOM 4232 O O . VAL B 1 209 ? -18.351 -39.966 22.211 1.00 67.06 ? 341 VAL B O 1 ATOM 4233 C CB . VAL B 1 209 ? -15.403 -38.975 23.327 1.00 66.53 ? 341 VAL B CB 1 ATOM 4234 C CG1 . VAL B 1 209 ? -15.918 -37.977 22.301 1.00 61.74 ? 341 VAL B CG1 1 ATOM 4235 C CG2 . VAL B 1 209 ? -14.817 -38.252 24.530 1.00 69.33 ? 341 VAL B CG2 1 ATOM 4236 N N . LEU B 1 210 ? -16.705 -41.471 21.900 1.00 58.38 ? 342 LEU B N 1 ATOM 4237 C CA . LEU B 1 210 ? -17.334 -42.088 20.739 1.00 62.19 ? 342 LEU B CA 1 ATOM 4238 C C . LEU B 1 210 ? -18.697 -42.668 21.102 1.00 67.84 ? 342 LEU B C 1 ATOM 4239 O O . LEU B 1 210 ? -19.645 -42.576 20.323 1.00 73.50 ? 342 LEU B O 1 ATOM 4240 C CB . LEU B 1 210 ? -16.438 -43.180 20.153 1.00 67.75 ? 342 LEU B CB 1 ATOM 4241 C CG . LEU B 1 210 ? -16.862 -43.724 18.787 1.00 71.90 ? 342 LEU B CG 1 ATOM 4242 C CD1 . LEU B 1 210 ? -16.721 -42.647 17.720 1.00 60.02 ? 342 LEU B CD1 1 ATOM 4243 C CD2 . LEU B 1 210 ? -16.059 -44.963 18.419 1.00 77.60 ? 342 LEU B CD2 1 ATOM 4244 N N . LYS B 1 211 ? -18.790 -43.263 22.288 1.00 71.90 ? 343 LYS B N 1 ATOM 4245 C CA . LYS B 1 211 ? -20.056 -43.800 22.774 1.00 68.84 ? 343 LYS B CA 1 ATOM 4246 C C . LYS B 1 211 ? -21.055 -42.672 23.006 1.00 69.84 ? 343 LYS B C 1 ATOM 4247 O O . LYS B 1 211 ? -22.241 -42.808 22.708 1.00 78.24 ? 343 LYS B O 1 ATOM 4248 C CB . LYS B 1 211 ? -19.853 -44.601 24.061 1.00 71.64 ? 343 LYS B CB 1 ATOM 4249 C CG . LYS B 1 211 ? -21.133 -45.206 24.618 1.00 76.30 ? 343 LYS B CG 1 ATOM 4250 C CD . LYS B 1 211 ? -20.867 -46.018 25.876 1.00 94.69 ? 343 LYS B CD 1 ATOM 4251 C CE . LYS B 1 211 ? -22.152 -46.628 26.418 1.00 101.11 ? 343 LYS B CE 1 ATOM 4252 N NZ . LYS B 1 211 ? -21.917 -47.435 27.648 1.00 104.21 ? 343 LYS B NZ 1 ATOM 4253 N N . GLN B 1 212 ? -20.564 -41.555 23.534 1.00 67.98 ? 344 GLN B N 1 ATOM 4254 C CA . GLN B 1 212 ? -21.394 -40.375 23.743 1.00 75.28 ? 344 GLN B CA 1 ATOM 4255 C C . GLN B 1 212 ? -21.867 -39.801 22.410 1.00 79.75 ? 344 GLN B C 1 ATOM 4256 O O . GLN B 1 212 ? -22.930 -39.184 22.330 1.00 78.71 ? 344 GLN B O 1 ATOM 4257 C CB . GLN B 1 212 ? -20.629 -39.314 24.534 1.00 69.72 ? 344 GLN B CB 1 ATOM 4258 C CG . GLN B 1 212 ? -20.279 -39.733 25.951 1.00 70.71 ? 344 GLN B CG 1 ATOM 4259 C CD . GLN B 1 212 ? -19.422 -38.708 26.667 1.00 78.79 ? 344 GLN B CD 1 ATOM 4260 O OE1 . GLN B 1 212 ? -18.875 -37.796 26.046 1.00 83.91 ? 344 GLN B OE1 1 ATOM 4261 N NE2 . GLN B 1 212 ? -19.302 -38.852 27.981 1.00 82.15 ? 344 GLN B NE2 1 ATOM 4262 N N . VAL B 1 213 ? -21.069 -40.005 21.366 1.00 74.19 ? 345 VAL B N 1 ATOM 4263 C CA . VAL B 1 213 ? -21.440 -39.581 20.021 1.00 64.49 ? 345 VAL B CA 1 ATOM 4264 C C . VAL B 1 213 ? -22.532 -40.491 19.463 1.00 63.73 ? 345 VAL B C 1 ATOM 4265 O O . VAL B 1 213 ? -23.472 -40.025 18.818 1.00 63.59 ? 345 VAL B O 1 ATOM 4266 C CB . VAL B 1 213 ? -20.221 -39.570 19.069 1.00 58.67 ? 345 VAL B CB 1 ATOM 4267 C CG1 . VAL B 1 213 ? -20.659 -39.327 17.629 1.00 55.54 ? 345 VAL B CG1 1 ATOM 4268 C CG2 . VAL B 1 213 ? -19.216 -38.517 19.507 1.00 52.34 ? 345 VAL B CG2 1 ATOM 4269 N N . THR B 1 214 ? -22.409 -41.790 19.726 1.00 64.88 ? 346 THR B N 1 ATOM 4270 C CA . THR B 1 214 ? -23.405 -42.760 19.283 1.00 78.27 ? 346 THR B CA 1 ATOM 4271 C C . THR B 1 214 ? -24.767 -42.478 19.907 1.00 82.15 ? 346 THR B C 1 ATOM 4272 O O . THR B 1 214 ? -25.797 -42.603 19.247 1.00 85.49 ? 346 THR B O 1 ATOM 4273 C CB . THR B 1 214 ? -22.999 -44.203 19.638 1.00 87.19 ? 346 THR B CB 1 ATOM 4274 O OG1 . THR B 1 214 ? -22.831 -44.322 21.056 1.00 94.74 ? 346 THR B OG1 1 ATOM 4275 C CG2 . THR B 1 214 ? -21.704 -44.583 18.944 1.00 83.24 ? 346 THR B CG2 1 ATOM 4276 N N . GLU B 1 215 ? -24.766 -42.095 21.179 1.00 86.79 ? 347 GLU B N 1 ATOM 4277 C CA . GLU B 1 215 ? -26.007 -41.837 21.898 1.00 93.12 ? 347 GLU B CA 1 ATOM 4278 C C . GLU B 1 215 ? -26.681 -40.544 21.448 1.00 87.95 ? 347 GLU B C 1 ATOM 4279 O O . GLU B 1 215 ? -27.906 -40.477 21.354 1.00 88.94 ? 347 GLU B O 1 ATOM 4280 C CB . GLU B 1 215 ? -25.764 -41.803 23.407 1.00 98.80 ? 347 GLU B CB 1 ATOM 4281 C CG . GLU B 1 215 ? -25.411 -43.151 24.008 1.00 105.00 ? 347 GLU B CG 1 ATOM 4282 C CD . GLU B 1 215 ? -25.557 -43.166 25.516 1.00 109.07 ? 347 GLU B CD 1 ATOM 4283 O OE1 . GLU B 1 215 ? -24.598 -42.771 26.211 1.00 112.24 ? 347 GLU B OE1 1 ATOM 4284 O OE2 . GLU B 1 215 ? -26.633 -43.570 26.004 1.00 108.88 ? 347 GLU B OE2 1 ATOM 4285 N N . LYS B 1 216 ? -25.879 -39.522 21.174 1.00 88.24 ? 348 LYS B N 1 ATOM 4286 C CA . LYS B 1 216 ? -26.417 -38.230 20.769 1.00 87.89 ? 348 LYS B CA 1 ATOM 4287 C C . LYS B 1 216 ? -27.060 -38.311 19.387 1.00 85.29 ? 348 LYS B C 1 ATOM 4288 O O . LYS B 1 216 ? -27.969 -37.544 19.068 1.00 93.80 ? 348 LYS B O 1 ATOM 4289 C CB . LYS B 1 216 ? -25.327 -37.156 20.787 1.00 86.90 ? 348 LYS B CB 1 ATOM 4290 C CG . LYS B 1 216 ? -25.870 -35.736 20.787 1.00 89.18 ? 348 LYS B CG 1 ATOM 4291 C CD . LYS B 1 216 ? -26.706 -35.473 22.030 1.00 94.63 ? 348 LYS B CD 1 ATOM 4292 C CE . LYS B 1 216 ? -27.464 -34.159 21.928 1.00 102.42 ? 348 LYS B CE 1 ATOM 4293 N NZ . LYS B 1 216 ? -26.556 -32.994 21.747 1.00 105.75 ? 348 LYS B NZ 1 ATOM 4294 N N . LEU B 1 217 ? -26.585 -39.249 18.573 1.00 72.78 ? 349 LEU B N 1 ATOM 4295 C CA . LEU B 1 217 ? -27.142 -39.457 17.242 1.00 71.78 ? 349 LEU B CA 1 ATOM 4296 C C . LEU B 1 217 ? -28.444 -40.256 17.296 1.00 83.77 ? 349 LEU B C 1 ATOM 4297 O O . LEU B 1 217 ? -29.241 -40.215 16.359 1.00 90.23 ? 349 LEU B O 1 ATOM 4298 C CB . LEU B 1 217 ? -26.125 -40.152 16.333 1.00 71.83 ? 349 LEU B CB 1 ATOM 4299 C CG . LEU B 1 217 ? -24.955 -39.311 15.821 1.00 72.86 ? 349 LEU B CG 1 ATOM 4300 C CD1 . LEU B 1 217 ? -23.885 -40.205 15.216 1.00 66.31 ? 349 LEU B CD1 1 ATOM 4301 C CD2 . LEU B 1 217 ? -25.442 -38.294 14.799 1.00 63.33 ? 349 LEU B CD2 1 ATOM 4302 N N . LYS B 1 218 ? -28.655 -40.981 18.392 1.00 85.58 ? 350 LYS B N 1 ATOM 4303 C CA . LYS B 1 218 ? -29.909 -41.701 18.596 1.00 90.18 ? 350 LYS B CA 1 ATOM 4304 C C . LYS B 1 218 ? -31.056 -40.715 18.773 1.00 82.00 ? 350 LYS B C 1 ATOM 4305 O O . LYS B 1 218 ? -32.210 -41.029 18.481 1.00 91.28 ? 350 LYS B O 1 ATOM 4306 C CB . LYS B 1 218 ? -29.832 -42.614 19.822 1.00 95.33 ? 350 LYS B CB 1 ATOM 4307 C CG . LYS B 1 218 ? -28.970 -43.851 19.648 1.00 96.98 ? 350 LYS B CG 1 ATOM 4308 C CD . LYS B 1 218 ? -29.348 -44.914 20.667 1.00 104.83 ? 350 LYS B CD 1 ATOM 4309 C CE . LYS B 1 218 ? -28.405 -46.104 20.617 1.00 108.62 ? 350 LYS B CE 1 ATOM 4310 N NZ . LYS B 1 218 ? -27.050 -45.756 21.123 1.00 107.56 ? 350 LYS B NZ 1 ATOM 4311 N N . GLU B 1 219 ? -30.726 -39.520 19.251 1.00 86.67 ? 351 GLU B N 1 ATOM 4312 C CA . GLU B 1 219 ? -31.713 -38.473 19.483 1.00 94.09 ? 351 GLU B CA 1 ATOM 4313 C C . GLU B 1 219 ? -32.068 -37.753 18.185 1.00 105.09 ? 351 GLU B C 1 ATOM 4314 O O . GLU B 1 219 ? -32.762 -36.738 18.198 1.00 112.61 ? 351 GLU B O 1 ATOM 4315 C CB . GLU B 1 219 ? -31.182 -37.472 20.510 1.00 90.87 ? 351 GLU B CB 1 ATOM 4316 C CG . GLU B 1 219 ? -30.618 -38.119 21.765 1.00 95.72 ? 351 GLU B CG 1 ATOM 4317 C CD . GLU B 1 219 ? -29.987 -37.115 22.709 1.00 95.68 ? 351 GLU B CD 1 ATOM 4318 O OE1 . GLU B 1 219 ? -30.297 -35.910 22.592 1.00 93.09 ? 351 GLU B OE1 1 ATOM 4319 O OE2 . GLU B 1 219 ? -29.179 -37.530 23.566 1.00 99.48 ? 351 GLU B OE2 1 ATOM 4320 N N . HIS B 1 220 ? -31.583 -38.285 17.068 1.00 105.31 ? 352 HIS B N 1 ATOM 4321 C CA . HIS B 1 220 ? -31.860 -37.714 15.756 1.00 99.24 ? 352 HIS B CA 1 ATOM 4322 C C . HIS B 1 220 ? -32.294 -38.785 14.761 1.00 93.66 ? 352 HIS B C 1 ATOM 4323 O O . HIS B 1 220 ? -32.721 -38.472 13.650 1.00 95.02 ? 352 HIS B O 1 ATOM 4324 C CB . HIS B 1 220 ? -30.632 -36.977 15.217 1.00 95.53 ? 352 HIS B CB 1 ATOM 4325 C CG . HIS B 1 220 ? -30.356 -35.675 15.901 1.00 91.17 ? 352 HIS B CG 1 ATOM 4326 N ND1 . HIS B 1 220 ? -31.110 -34.542 15.676 1.00 91.18 ? 352 HIS B ND1 1 ATOM 4327 C CD2 . HIS B 1 220 ? -29.405 -35.321 16.797 1.00 82.82 ? 352 HIS B CD2 1 ATOM 4328 C CE1 . HIS B 1 220 ? -30.639 -33.549 16.408 1.00 80.74 ? 352 HIS B CE1 1 ATOM 4329 N NE2 . HIS B 1 220 ? -29.604 -33.995 17.098 1.00 72.68 ? 352 HIS B NE2 1 ATOM 4330 N N . PHE B 1 221 ? -32.180 -40.049 15.161 1.00 94.57 ? 353 PHE B N 1 ATOM 4331 C CA . PHE B 1 221 ? -32.526 -41.158 14.277 1.00 95.48 ? 353 PHE B CA 1 ATOM 4332 C C . PHE B 1 221 ? -33.402 -42.212 14.954 1.00 96.38 ? 353 PHE B C 1 ATOM 4333 O O . PHE B 1 221 ? -33.406 -43.375 14.550 1.00 99.54 ? 353 PHE B O 1 ATOM 4334 C CB . PHE B 1 221 ? -31.262 -41.800 13.700 1.00 92.38 ? 353 PHE B CB 1 ATOM 4335 C CG . PHE B 1 221 ? -30.508 -40.907 12.754 1.00 91.89 ? 353 PHE B CG 1 ATOM 4336 C CD1 . PHE B 1 221 ? -30.813 -40.890 11.403 1.00 91.04 ? 353 PHE B CD1 1 ATOM 4337 C CD2 . PHE B 1 221 ? -29.497 -40.081 13.217 1.00 77.47 ? 353 PHE B CD2 1 ATOM 4338 C CE1 . PHE B 1 221 ? -30.123 -40.069 10.532 1.00 84.52 ? 353 PHE B CE1 1 ATOM 4339 C CE2 . PHE B 1 221 ? -28.802 -39.257 12.350 1.00 74.57 ? 353 PHE B CE2 1 ATOM 4340 C CZ . PHE B 1 221 ? -29.116 -39.252 11.006 1.00 77.65 ? 353 PHE B CZ 1 ATOM 4341 N N . ASN B 1 222 ? -34.137 -41.794 15.981 1.00 96.57 ? 354 ASN B N 1 ATOM 4342 C CA . ASN B 1 222 ? -35.123 -42.645 16.652 1.00 103.36 ? 354 ASN B CA 1 ATOM 4343 C C . ASN B 1 222 ? -34.587 -43.966 17.207 1.00 101.95 ? 354 ASN B C 1 ATOM 4344 O O . ASN B 1 222 ? -35.062 -45.040 16.832 1.00 104.79 ? 354 ASN B O 1 ATOM 4345 C CB . ASN B 1 222 ? -36.319 -42.912 15.732 1.00 109.18 ? 354 ASN B CB 1 ATOM 4346 C CG . ASN B 1 222 ? -37.068 -41.646 15.366 1.00 116.52 ? 354 ASN B CG 1 ATOM 4347 O OD1 . ASN B 1 222 ? -37.937 -41.189 16.110 1.00 120.50 ? 354 ASN B OD1 1 ATOM 4348 N ND2 . ASN B 1 222 ? -36.736 -41.073 14.216 1.00 118.89 ? 354 ASN B ND2 1 ATOM 4349 N N . ASN B 1 223 ? -33.663 -43.868 18.156 1.00 100.30 ? 355 ASN B N 1 ATOM 4350 C CA . ASN B 1 223 ? -33.193 -45.027 18.903 1.00 106.70 ? 355 ASN B CA 1 ATOM 4351 C C . ASN B 1 223 ? -33.042 -46.275 18.046 1.00 112.50 ? 355 ASN B C 1 ATOM 4352 O O . ASN B 1 223 ? -33.840 -47.208 18.133 1.00 123.92 ? 355 ASN B O 1 ATOM 4353 C CB . ASN B 1 223 ? -34.126 -45.313 20.083 1.00 114.77 ? 355 ASN B CB 1 ATOM 4354 C CG . ASN B 1 223 ? -33.587 -44.777 21.395 1.00 116.31 ? 355 ASN B CG 1 ATOM 4355 O OD1 . ASN B 1 223 ? -32.870 -43.775 21.422 1.00 110.24 ? 355 ASN B OD1 1 ATOM 4356 N ND2 . ASN B 1 223 ? -33.930 -45.441 22.492 1.00 126.75 ? 355 ASN B ND2 1 ATOM 4357 N N . LYS B 1 224 ? -32.002 -46.280 17.223 1.00 105.93 ? 357 LYS B N 1 ATOM 4358 C CA . LYS B 1 224 ? -31.658 -47.432 16.409 1.00 113.06 ? 357 LYS B CA 1 ATOM 4359 C C . LYS B 1 224 ? -30.171 -47.669 16.594 1.00 107.29 ? 357 LYS B C 1 ATOM 4360 O O . LYS B 1 224 ? -29.431 -46.740 16.920 1.00 104.86 ? 357 LYS B O 1 ATOM 4361 C CB . LYS B 1 224 ? -31.976 -47.169 14.937 1.00 118.76 ? 357 LYS B CB 1 ATOM 4362 C CG . LYS B 1 224 ? -33.445 -47.334 14.580 1.00 132.21 ? 357 LYS B CG 1 ATOM 4363 C CD . LYS B 1 224 ? -33.737 -46.800 13.187 1.00 132.99 ? 357 LYS B CD 1 ATOM 4364 C CE . LYS B 1 224 ? -32.872 -47.484 12.141 1.00 129.75 ? 357 LYS B CE 1 ATOM 4365 N NZ . LYS B 1 224 ? -33.002 -46.840 10.805 1.00 123.76 ? 357 LYS B NZ 1 ATOM 4366 N N . THR B 1 225 ? -29.731 -48.906 16.409 1.00 110.16 ? 358 THR B N 1 ATOM 4367 C CA . THR B 1 225 ? -28.330 -49.188 16.629 1.00 108.44 ? 358 THR B CA 1 ATOM 4368 C C . THR B 1 225 ? -27.576 -48.323 15.643 1.00 103.15 ? 358 THR B C 1 ATOM 4369 O O . THR B 1 225 ? -27.928 -48.252 14.466 1.00 103.88 ? 358 THR B O 1 ATOM 4370 C CB . THR B 1 225 ? -28.001 -50.668 16.369 1.00 115.32 ? 358 THR B CB 1 ATOM 4371 O OG1 . THR B 1 225 ? -28.077 -50.939 14.964 1.00 104.94 ? 358 THR B OG1 1 ATOM 4372 C CG2 . THR B 1 225 ? -28.976 -51.570 17.109 1.00 122.21 ? 358 THR B CG2 1 ATOM 4373 N N . ILE B 1 226 ? -26.533 -47.663 16.126 1.00 89.36 ? 359 ILE B N 1 ATOM 4374 C CA . ILE B 1 226 ? -25.732 -46.815 15.268 1.00 86.92 ? 359 ILE B CA 1 ATOM 4375 C C . ILE B 1 226 ? -24.406 -47.517 15.085 1.00 90.27 ? 359 ILE B C 1 ATOM 4376 O O . ILE B 1 226 ? -23.717 -47.826 16.057 1.00 93.65 ? 359 ILE B O 1 ATOM 4377 C CB . ILE B 1 226 ? -25.495 -45.430 15.896 1.00 86.22 ? 359 ILE B CB 1 ATOM 4378 C CG1 . ILE B 1 226 ? -26.812 -44.658 15.996 1.00 80.92 ? 359 ILE B CG1 1 ATOM 4379 C CG2 . ILE B 1 226 ? -24.473 -44.646 15.087 1.00 82.50 ? 359 ILE B CG2 1 ATOM 4380 C CD1 . ILE B 1 226 ? -26.713 -43.385 16.807 1.00 114.90 ? 359 ILE B CD1 1 ATOM 4381 N N . ILE B 1 227 ? -24.049 -47.776 13.836 1.00 91.68 ? 360 ILE B N 1 ATOM 4382 C CA . ILE B 1 227 ? -22.818 -48.512 13.572 1.00 96.38 ? 360 ILE B CA 1 ATOM 4383 C C . ILE B 1 227 ? -21.809 -47.671 12.794 1.00 98.69 ? 360 ILE B C 1 ATOM 4384 O O . ILE B 1 227 ? -22.150 -47.047 11.790 1.00 95.97 ? 360 ILE B O 1 ATOM 4385 C CB . ILE B 1 227 ? -23.103 -49.814 12.785 1.00 96.40 ? 360 ILE B CB 1 ATOM 4386 C CG1 . ILE B 1 227 ? -24.050 -50.728 13.568 1.00 102.11 ? 360 ILE B CG1 1 ATOM 4387 C CG2 . ILE B 1 227 ? -21.812 -50.545 12.459 1.00 89.78 ? 360 ILE B CG2 1 ATOM 4388 C CD1 . ILE B 1 227 ? -25.514 -50.578 13.196 1.00 104.75 ? 360 ILE B CD1 1 ATOM 4389 N N . PHE B 1 228 ? -20.566 -47.654 13.266 1.00 101.10 ? 361 PHE B N 1 ATOM 4390 C CA . PHE B 1 228 ? -19.481 -47.003 12.541 1.00 97.68 ? 361 PHE B CA 1 ATOM 4391 C C . PHE B 1 228 ? -18.726 -48.008 11.680 1.00 105.78 ? 361 PHE B C 1 ATOM 4392 O O . PHE B 1 228 ? -18.492 -49.145 12.093 1.00 109.58 ? 361 PHE B O 1 ATOM 4393 C CB . PHE B 1 228 ? -18.512 -46.316 13.506 1.00 90.06 ? 361 PHE B CB 1 ATOM 4394 C CG . PHE B 1 228 ? -19.048 -45.052 14.110 1.00 86.99 ? 361 PHE B CG 1 ATOM 4395 C CD1 . PHE B 1 228 ? -18.961 -43.850 13.426 1.00 85.21 ? 361 PHE B CD1 1 ATOM 4396 C CD2 . PHE B 1 228 ? -19.631 -45.061 15.365 1.00 81.47 ? 361 PHE B CD2 1 ATOM 4397 C CE1 . PHE B 1 228 ? -19.449 -42.683 13.983 1.00 77.87 ? 361 PHE B CE1 1 ATOM 4398 C CE2 . PHE B 1 228 ? -20.120 -43.898 15.926 1.00 77.02 ? 361 PHE B CE2 1 ATOM 4399 C CZ . PHE B 1 228 ? -20.030 -42.708 15.234 1.00 74.13 ? 361 PHE B CZ 1 ATOM 4400 N N . GLN B 1 229 ? -18.347 -47.580 10.481 1.00 103.53 ? 362 GLN B N 1 ATOM 4401 C CA . GLN B 1 229 ? -17.596 -48.425 9.562 1.00 102.73 ? 362 GLN B CA 1 ATOM 4402 C C . GLN B 1 229 ? -16.524 -47.610 8.844 1.00 96.53 ? 362 GLN B C 1 ATOM 4403 O O . GLN B 1 229 ? -16.681 -46.402 8.663 1.00 90.81 ? 362 GLN B O 1 ATOM 4404 C CB . GLN B 1 229 ? -18.535 -49.078 8.544 1.00 107.15 ? 362 GLN B CB 1 ATOM 4405 C CG . GLN B 1 229 ? -19.350 -50.235 9.099 1.00 115.74 ? 362 GLN B CG 1 ATOM 4406 C CD . GLN B 1 229 ? -20.139 -50.960 8.027 1.00 126.83 ? 362 GLN B CD 1 ATOM 4407 O OE1 . GLN B 1 229 ? -20.254 -50.487 6.896 1.00 131.85 ? 362 GLN B OE1 1 ATOM 4408 N NE2 . GLN B 1 229 ? -20.685 -52.120 8.377 1.00 130.02 ? 362 GLN B NE2 1 ATOM 4409 N N . PRO B 1 230 ? -15.424 -48.265 8.443 1.00 99.19 ? 363 PRO B N 1 ATOM 4410 C CA . PRO B 1 230 ? -14.386 -47.583 7.663 1.00 96.57 ? 363 PRO B CA 1 ATOM 4411 C C . PRO B 1 230 ? -14.921 -47.163 6.297 1.00 92.65 ? 363 PRO B C 1 ATOM 4412 O O . PRO B 1 230 ? -15.778 -47.860 5.752 1.00 96.59 ? 363 PRO B O 1 ATOM 4413 C CB . PRO B 1 230 ? -13.305 -48.658 7.504 1.00 101.37 ? 363 PRO B CB 1 ATOM 4414 C CG . PRO B 1 230 ? -14.022 -49.954 7.696 1.00 105.94 ? 363 PRO B CG 1 ATOM 4415 C CD . PRO B 1 230 ? -15.071 -49.668 8.720 1.00 102.99 ? 363 PRO B CD 1 ATOM 4416 N N . PRO B 1 231 ? -14.430 -46.033 5.760 1.00 87.78 ? 364 PRO B N 1 ATOM 4417 C CA . PRO B 1 231 ? -14.871 -45.455 4.483 1.00 88.27 ? 364 PRO B CA 1 ATOM 4418 C C . PRO B 1 231 ? -14.939 -46.487 3.360 1.00 95.17 ? 364 PRO B C 1 ATOM 4419 O O . PRO B 1 231 ? -14.071 -47.360 3.267 1.00 96.76 ? 364 PRO B O 1 ATOM 4420 C CB . PRO B 1 231 ? -13.790 -44.416 4.188 1.00 85.20 ? 364 PRO B CB 1 ATOM 4421 C CG . PRO B 1 231 ? -13.338 -43.980 5.545 1.00 74.68 ? 364 PRO B CG 1 ATOM 4422 C CD . PRO B 1 231 ? -13.378 -45.218 6.397 1.00 76.96 ? 364 PRO B CD 1 ATOM 4423 N N . SER B 1 232 ? -15.966 -46.379 2.521 1.00 105.93 ? 365 SER B N 1 ATOM 4424 C CA . SER B 1 232 ? -16.245 -47.381 1.497 1.00 112.27 ? 365 SER B CA 1 ATOM 4425 C C . SER B 1 232 ? -15.268 -47.356 0.322 1.00 115.40 ? 365 SER B C 1 ATOM 4426 O O . SER B 1 232 ? -15.445 -48.088 -0.651 1.00 121.61 ? 365 SER B O 1 ATOM 4427 C CB . SER B 1 232 ? -17.680 -47.230 0.987 1.00 116.77 ? 365 SER B CB 1 ATOM 4428 O OG . SER B 1 232 ? -17.908 -45.928 0.477 1.00 114.42 ? 365 SER B OG 1 ATOM 4429 N N . GLY B 1 233 ? -14.245 -46.512 0.410 1.00 110.34 ? 366 GLY B N 1 ATOM 4430 C CA . GLY B 1 233 ? -13.237 -46.437 -0.632 1.00 108.32 ? 366 GLY B CA 1 ATOM 4431 C C . GLY B 1 233 ? -13.107 -45.054 -1.237 1.00 107.91 ? 366 GLY B C 1 ATOM 4432 O O . GLY B 1 233 ? -13.873 -44.145 -0.910 1.00 102.71 ? 366 GLY B O 1 ATOM 4433 N N . GLY B 1 234 ? -12.131 -44.894 -2.124 1.00 111.41 ? 367 GLY B N 1 ATOM 4434 C CA . GLY B 1 234 ? -11.877 -43.617 -2.763 1.00 107.58 ? 367 GLY B CA 1 ATOM 4435 C C . GLY B 1 234 ? -10.473 -43.110 -2.496 1.00 97.86 ? 367 GLY B C 1 ATOM 4436 O O . GLY B 1 234 ? -9.566 -43.889 -2.204 1.00 96.01 ? 367 GLY B O 1 ATOM 4437 N N . ASP B 1 235 ? -10.294 -41.797 -2.602 1.00 87.18 ? 368 ASP B N 1 ATOM 4438 C CA . ASP B 1 235 ? -8.996 -41.179 -2.360 1.00 83.70 ? 368 ASP B CA 1 ATOM 4439 C C . ASP B 1 235 ? -8.571 -41.352 -0.907 1.00 75.70 ? 368 ASP B C 1 ATOM 4440 O O . ASP B 1 235 ? -9.411 -41.399 -0.007 1.00 68.65 ? 368 ASP B O 1 ATOM 4441 C CB . ASP B 1 235 ? -9.033 -39.694 -2.725 1.00 87.78 ? 368 ASP B CB 1 ATOM 4442 C CG . ASP B 1 235 ? -9.236 -39.462 -4.208 1.00 100.89 ? 368 ASP B CG 1 ATOM 4443 O OD1 . ASP B 1 235 ? -9.772 -40.364 -4.886 1.00 104.29 ? 368 ASP B OD1 1 ATOM 4444 O OD2 . ASP B 1 235 ? -8.860 -38.376 -4.698 1.00 106.30 ? 368 ASP B OD2 1 ATOM 4445 N N . LEU B 1 236 ? -7.263 -41.445 -0.684 1.00 68.07 ? 369 LEU B N 1 ATOM 4446 C CA . LEU B 1 236 ? -6.724 -41.649 0.656 1.00 67.24 ? 369 LEU B CA 1 ATOM 4447 C C . LEU B 1 236 ? -7.073 -40.488 1.578 1.00 60.63 ? 369 LEU B C 1 ATOM 4448 O O . LEU B 1 236 ? -7.123 -40.646 2.797 1.00 58.91 ? 369 LEU B O 1 ATOM 4449 C CB . LEU B 1 236 ? -5.208 -41.847 0.603 1.00 66.13 ? 369 LEU B CB 1 ATOM 4450 C CG . LEU B 1 236 ? -4.719 -43.052 -0.203 1.00 79.32 ? 369 LEU B CG 1 ATOM 4451 C CD1 . LEU B 1 236 ? -3.212 -43.206 -0.078 1.00 87.33 ? 369 LEU B CD1 1 ATOM 4452 C CD2 . LEU B 1 236 ? -5.431 -44.323 0.235 1.00 78.57 ? 369 LEU B CD2 1 ATOM 4453 N N . GLU B 1 237 ? -7.320 -39.323 0.988 1.00 54.53 ? 370 GLU B N 1 ATOM 4454 C CA . GLU B 1 237 ? -7.724 -38.151 1.752 1.00 64.95 ? 370 GLU B CA 1 ATOM 4455 C C . GLU B 1 237 ? -9.099 -38.364 2.380 1.00 59.86 ? 370 GLU B C 1 ATOM 4456 O O . GLU B 1 237 ? -9.406 -37.797 3.425 1.00 60.27 ? 370 GLU B O 1 ATOM 4457 C CB . GLU B 1 237 ? -7.728 -36.900 0.868 1.00 65.54 ? 370 GLU B CB 1 ATOM 4458 C CG . GLU B 1 237 ? -6.343 -36.440 0.421 1.00 68.99 ? 370 GLU B CG 1 ATOM 4459 C CD . GLU B 1 237 ? -5.770 -37.284 -0.703 1.00 80.11 ? 370 GLU B CD 1 ATOM 4460 O OE1 . GLU B 1 237 ? -6.548 -37.998 -1.369 1.00 84.87 ? 370 GLU B OE1 1 ATOM 4461 O OE2 . GLU B 1 237 ? -4.541 -37.233 -0.921 1.00 78.60 ? 370 GLU B OE2 1 ATOM 4462 N N . ILE B 1 238 ? -9.920 -39.190 1.740 1.00 67.71 ? 371 ILE B N 1 ATOM 4463 C CA . ILE B 1 238 ? -11.241 -39.515 2.263 1.00 68.69 ? 371 ILE B CA 1 ATOM 4464 C C . ILE B 1 238 ? -11.175 -40.704 3.215 1.00 72.74 ? 371 ILE B C 1 ATOM 4465 O O . ILE B 1 238 ? -11.743 -40.672 4.308 1.00 72.15 ? 371 ILE B O 1 ATOM 4466 C CB . ILE B 1 238 ? -12.229 -39.859 1.132 1.00 82.40 ? 371 ILE B CB 1 ATOM 4467 C CG1 . ILE B 1 238 ? -12.287 -38.731 0.100 1.00 83.06 ? 371 ILE B CG1 1 ATOM 4468 C CG2 . ILE B 1 238 ? -13.613 -40.142 1.698 1.00 88.48 ? 371 ILE B CG2 1 ATOM 4469 C CD1 . ILE B 1 238 ? -13.230 -39.014 -1.051 1.00 89.35 ? 371 ILE B CD1 1 ATOM 4470 N N . THR B 1 239 ? -10.473 -41.750 2.794 1.00 74.87 ? 372 THR B N 1 ATOM 4471 C CA . THR B 1 239 ? -10.435 -43.006 3.535 1.00 68.88 ? 372 THR B CA 1 ATOM 4472 C C . THR B 1 239 ? -9.541 -42.954 4.771 1.00 69.28 ? 372 THR B C 1 ATOM 4473 O O . THR B 1 239 ? -9.656 -43.798 5.659 1.00 66.83 ? 372 THR B O 1 ATOM 4474 C CB . THR B 1 239 ? -9.975 -44.169 2.639 1.00 63.74 ? 372 THR B CB 1 ATOM 4475 O OG1 . THR B 1 239 ? -8.642 -43.917 2.175 1.00 68.70 ? 372 THR B OG1 1 ATOM 4476 C CG2 . THR B 1 239 ? -10.903 -44.322 1.444 1.00 67.72 ? 372 THR B CG2 1 ATOM 4477 N N . MET B 1 240 ? -8.649 -41.972 4.825 1.00 53.36 ? 373 MET B N 1 ATOM 4478 C CA . MET B 1 240 ? -7.733 -41.851 5.954 1.00 50.55 ? 373 MET B CA 1 ATOM 4479 C C . MET B 1 240 ? -7.801 -40.471 6.591 1.00 46.97 ? 373 MET B C 1 ATOM 4480 O O . MET B 1 240 ? -8.262 -39.510 5.974 1.00 48.35 ? 373 MET B O 1 ATOM 4481 C CB . MET B 1 240 ? -6.294 -42.138 5.517 1.00 50.65 ? 373 MET B CB 1 ATOM 4482 C CG . MET B 1 240 ? -6.126 -43.408 4.703 1.00 87.78 ? 373 MET B CG 1 ATOM 4483 S SD . MET B 1 240 ? -4.407 -43.718 4.259 1.00 67.03 ? 373 MET B SD 1 ATOM 4484 C CE . MET B 1 240 ? -3.734 -44.240 5.834 1.00 53.38 ? 373 MET B CE 1 ATOM 4485 N N . HIS B 1 241 ? -7.342 -40.385 7.836 1.00 49.62 ? 374 HIS B N 1 ATOM 4486 C CA . HIS B 1 241 ? -7.187 -39.104 8.508 1.00 41.78 ? 374 HIS B CA 1 ATOM 4487 C C . HIS B 1 241 ? -5.935 -38.423 7.984 1.00 40.37 ? 374 HIS B C 1 ATOM 4488 O O . HIS B 1 241 ? -4.819 -38.803 8.335 1.00 44.67 ? 374 HIS B O 1 ATOM 4489 C CB . HIS B 1 241 ? -7.079 -39.303 10.020 1.00 40.69 ? 374 HIS B CB 1 ATOM 4490 C CG . HIS B 1 241 ? -6.700 -38.063 10.770 1.00 45.93 ? 374 HIS B CG 1 ATOM 4491 N ND1 . HIS B 1 241 ? -7.353 -36.861 10.601 1.00 46.76 ? 374 HIS B ND1 1 ATOM 4492 C CD2 . HIS B 1 241 ? -5.739 -37.841 11.698 1.00 42.81 ? 374 HIS B CD2 1 ATOM 4493 C CE1 . HIS B 1 241 ? -6.809 -35.952 11.390 1.00 50.28 ? 374 HIS B CE1 1 ATOM 4494 N NE2 . HIS B 1 241 ? -5.827 -36.521 12.066 1.00 53.40 ? 374 HIS B NE2 1 ATOM 4495 N N . SER B 1 242 ? -6.123 -37.424 7.128 1.00 42.96 ? 375 SER B N 1 ATOM 4496 C CA . SER B 1 242 ? -4.999 -36.705 6.548 1.00 41.93 ? 375 SER B CA 1 ATOM 4497 C C . SER B 1 242 ? -4.822 -35.358 7.229 1.00 42.86 ? 375 SER B C 1 ATOM 4498 O O . SER B 1 242 ? -5.798 -34.689 7.567 1.00 38.72 ? 375 SER B O 1 ATOM 4499 C CB . SER B 1 242 ? -5.202 -36.505 5.045 1.00 50.65 ? 375 SER B CB 1 ATOM 4500 O OG . SER B 1 242 ? -6.286 -35.630 4.792 1.00 53.65 ? 375 SER B OG 1 ATOM 4501 N N . PHE B 1 243 ? -3.569 -34.969 7.430 1.00 43.51 ? 376 PHE B N 1 ATOM 4502 C CA . PHE B 1 243 ? -3.248 -33.681 8.028 1.00 46.48 ? 376 PHE B CA 1 ATOM 4503 C C . PHE B 1 243 ? -1.793 -33.332 7.753 1.00 45.29 ? 376 PHE B C 1 ATOM 4504 O O . PHE B 1 243 ? -1.019 -34.174 7.293 1.00 41.11 ? 376 PHE B O 1 ATOM 4505 C CB . PHE B 1 243 ? -3.521 -33.688 9.536 1.00 38.82 ? 376 PHE B CB 1 ATOM 4506 C CG . PHE B 1 243 ? -2.690 -34.678 10.304 1.00 35.51 ? 376 PHE B CG 1 ATOM 4507 C CD1 . PHE B 1 243 ? -3.055 -36.013 10.363 1.00 42.21 ? 376 PHE B CD1 1 ATOM 4508 C CD2 . PHE B 1 243 ? -1.552 -34.270 10.982 1.00 41.43 ? 376 PHE B CD2 1 ATOM 4509 C CE1 . PHE B 1 243 ? -2.294 -36.925 11.075 1.00 46.35 ? 376 PHE B CE1 1 ATOM 4510 C CE2 . PHE B 1 243 ? -0.788 -35.177 11.696 1.00 33.32 ? 376 PHE B CE2 1 ATOM 4511 C CZ . PHE B 1 243 ? -1.161 -36.506 11.744 1.00 39.60 ? 376 PHE B CZ 1 ATOM 4512 N N . ASN B 1 244 ? -1.425 -32.087 8.026 1.00 40.14 ? 377 ASN B N 1 ATOM 4513 C CA . ASN B 1 244 ? -0.054 -31.651 7.820 1.00 39.63 ? 377 ASN B CA 1 ATOM 4514 C C . ASN B 1 244 ? 0.653 -31.382 9.142 1.00 36.85 ? 377 ASN B C 1 ATOM 4515 O O . ASN B 1 244 ? 0.201 -30.567 9.944 1.00 37.03 ? 377 ASN B O 1 ATOM 4516 C CB . ASN B 1 244 ? -0.007 -30.409 6.931 1.00 34.55 ? 377 ASN B CB 1 ATOM 4517 C CG . ASN B 1 244 ? 1.401 -30.051 6.509 1.00 46.95 ? 377 ASN B CG 1 ATOM 4518 O OD1 . ASN B 1 244 ? 2.166 -29.479 7.285 1.00 48.62 ? 377 ASN B OD1 1 ATOM 4519 N ND2 . ASN B 1 244 ? 1.755 -30.390 5.274 1.00 47.70 ? 377 ASN B ND2 1 ATOM 4520 N N . CYS B 1 245 ? 1.765 -32.076 9.360 1.00 40.01 ? 378 CYS B N 1 ATOM 4521 C CA . CYS B 1 245 ? 2.534 -31.931 10.588 1.00 37.56 ? 378 CYS B CA 1 ATOM 4522 C C . CYS B 1 245 ? 3.965 -31.512 10.272 1.00 37.56 ? 378 CYS B C 1 ATOM 4523 O O . CYS B 1 245 ? 4.716 -32.262 9.646 1.00 36.76 ? 378 CYS B O 1 ATOM 4524 C CB . CYS B 1 245 ? 2.524 -33.241 11.379 1.00 35.74 ? 378 CYS B CB 1 ATOM 4525 S SG . CYS B 1 245 ? 3.524 -33.235 12.889 1.00 45.62 ? 378 CYS B SG 1 ATOM 4526 N N . ARG B 1 246 ? 4.324 -30.306 10.708 1.00 37.30 ? 379 ARG B N 1 ATOM 4527 C CA . ARG B 1 246 ? 5.655 -29.740 10.488 1.00 36.24 ? 379 ARG B CA 1 ATOM 4528 C C . ARG B 1 246 ? 6.024 -29.683 9.007 1.00 39.41 ? 379 ARG B C 1 ATOM 4529 O O . ARG B 1 246 ? 7.179 -29.892 8.641 1.00 44.84 ? 379 ARG B O 1 ATOM 4530 C CB . ARG B 1 246 ? 6.725 -30.515 11.267 1.00 34.50 ? 379 ARG B CB 1 ATOM 4531 C CG . ARG B 1 246 ? 6.338 -30.865 12.698 1.00 35.67 ? 379 ARG B CG 1 ATOM 4532 C CD . ARG B 1 246 ? 5.923 -29.635 13.491 1.00 32.71 ? 379 ARG B CD 1 ATOM 4533 N NE . ARG B 1 246 ? 5.441 -29.997 14.821 1.00 39.66 ? 379 ARG B NE 1 ATOM 4534 C CZ . ARG B 1 246 ? 4.774 -29.175 15.624 1.00 40.03 ? 379 ARG B CZ 1 ATOM 4535 N NH1 . ARG B 1 246 ? 4.504 -27.936 15.238 1.00 37.14 ? 379 ARG B NH1 1 ATOM 4536 N NH2 . ARG B 1 246 ? 4.372 -29.596 16.816 1.00 50.42 ? 379 ARG B NH2 1 ATOM 4537 N N . GLY B 1 247 ? 5.037 -29.403 8.160 1.00 40.21 ? 380 GLY B N 1 ATOM 4538 C CA . GLY B 1 247 ? 5.267 -29.320 6.728 1.00 33.45 ? 380 GLY B CA 1 ATOM 4539 C C . GLY B 1 247 ? 5.044 -30.638 6.008 1.00 41.30 ? 380 GLY B C 1 ATOM 4540 O O . GLY B 1 247 ? 4.791 -30.659 4.804 1.00 39.26 ? 380 GLY B O 1 ATOM 4541 N N . GLU B 1 248 ? 5.135 -31.739 6.748 1.00 35.19 ? 381 GLU B N 1 ATOM 4542 C CA . GLU B 1 248 ? 4.972 -33.073 6.177 1.00 41.27 ? 381 GLU B CA 1 ATOM 4543 C C . GLU B 1 248 ? 3.507 -33.502 6.151 1.00 47.11 ? 381 GLU B C 1 ATOM 4544 O O . GLU B 1 248 ? 2.743 -33.184 7.062 1.00 41.27 ? 381 GLU B O 1 ATOM 4545 C CB . GLU B 1 248 ? 5.794 -34.095 6.968 1.00 42.73 ? 381 GLU B CB 1 ATOM 4546 C CG . GLU B 1 248 ? 7.250 -33.706 7.172 1.00 44.87 ? 381 GLU B CG 1 ATOM 4547 C CD . GLU B 1 248 ? 8.051 -33.713 5.882 1.00 56.61 ? 381 GLU B CD 1 ATOM 4548 O OE1 . GLU B 1 248 ? 7.600 -34.336 4.898 1.00 58.37 ? 381 GLU B OE1 1 ATOM 4549 O OE2 . GLU B 1 248 ? 9.136 -33.094 5.854 1.00 59.82 ? 381 GLU B OE2 1 ATOM 4550 N N . PHE B 1 249 ? 3.124 -34.236 5.111 1.00 45.42 ? 382 PHE B N 1 ATOM 4551 C CA . PHE B 1 249 ? 1.743 -34.688 4.968 1.00 40.41 ? 382 PHE B CA 1 ATOM 4552 C C . PHE B 1 249 ? 1.529 -36.091 5.535 1.00 44.86 ? 382 PHE B C 1 ATOM 4553 O O . PHE B 1 249 ? 2.009 -37.079 4.978 1.00 46.31 ? 382 PHE B O 1 ATOM 4554 C CB . PHE B 1 249 ? 1.309 -34.626 3.502 1.00 47.42 ? 382 PHE B CB 1 ATOM 4555 C CG . PHE B 1 249 ? 1.306 -33.237 2.931 1.00 47.88 ? 382 PHE B CG 1 ATOM 4556 C CD1 . PHE B 1 249 ? 2.444 -32.715 2.339 1.00 51.41 ? 382 PHE B CD1 1 ATOM 4557 C CD2 . PHE B 1 249 ? 0.168 -32.451 2.992 1.00 53.54 ? 382 PHE B CD2 1 ATOM 4558 C CE1 . PHE B 1 249 ? 2.446 -31.435 1.816 1.00 56.85 ? 382 PHE B CE1 1 ATOM 4559 C CE2 . PHE B 1 249 ? 0.164 -31.170 2.469 1.00 48.48 ? 382 PHE B CE2 1 ATOM 4560 C CZ . PHE B 1 249 ? 1.305 -30.662 1.880 1.00 46.44 ? 382 PHE B CZ 1 ATOM 4561 N N . PHE B 1 250 ? 0.798 -36.166 6.644 1.00 36.67 ? 383 PHE B N 1 ATOM 4562 C CA . PHE B 1 250 ? 0.532 -37.432 7.325 1.00 46.03 ? 383 PHE B CA 1 ATOM 4563 C C . PHE B 1 250 ? -0.783 -38.063 6.874 1.00 49.21 ? 383 PHE B C 1 ATOM 4564 O O . PHE B 1 250 ? -1.789 -37.374 6.703 1.00 42.03 ? 383 PHE B O 1 ATOM 4565 C CB . PHE B 1 250 ? 0.484 -37.220 8.839 1.00 41.56 ? 383 PHE B CB 1 ATOM 4566 C CG . PHE B 1 250 ? 1.834 -37.131 9.494 1.00 37.79 ? 383 PHE B CG 1 ATOM 4567 C CD1 . PHE B 1 250 ? 2.724 -36.126 9.156 1.00 40.96 ? 383 PHE B CD1 1 ATOM 4568 C CD2 . PHE B 1 250 ? 2.198 -38.040 10.476 1.00 37.63 ? 383 PHE B CD2 1 ATOM 4569 C CE1 . PHE B 1 250 ? 3.961 -36.040 9.770 1.00 43.35 ? 383 PHE B CE1 1 ATOM 4570 C CE2 . PHE B 1 250 ? 3.432 -37.958 11.093 1.00 44.35 ? 383 PHE B CE2 1 ATOM 4571 C CZ . PHE B 1 250 ? 4.316 -36.956 10.741 1.00 39.71 ? 383 PHE B CZ 1 ATOM 4572 N N . TYR B 1 251 ? -0.767 -39.380 6.694 1.00 41.28 ? 384 TYR B N 1 ATOM 4573 C CA . TYR B 1 251 ? -1.972 -40.138 6.369 1.00 46.64 ? 384 TYR B CA 1 ATOM 4574 C C . TYR B 1 251 ? -2.104 -41.305 7.343 1.00 50.93 ? 384 TYR B C 1 ATOM 4575 O O . TYR B 1 251 ? -1.232 -42.171 7.400 1.00 52.83 ? 384 TYR B O 1 ATOM 4576 C CB . TYR B 1 251 ? -1.912 -40.655 4.930 1.00 50.22 ? 384 TYR B CB 1 ATOM 4577 C CG . TYR B 1 251 ? -2.067 -39.581 3.876 1.00 58.61 ? 384 TYR B CG 1 ATOM 4578 C CD1 . TYR B 1 251 ? -1.031 -38.697 3.595 1.00 60.79 ? 384 TYR B CD1 1 ATOM 4579 C CD2 . TYR B 1 251 ? -3.246 -39.459 3.151 1.00 57.38 ? 384 TYR B CD2 1 ATOM 4580 C CE1 . TYR B 1 251 ? -1.170 -37.716 2.628 1.00 49.06 ? 384 TYR B CE1 1 ATOM 4581 C CE2 . TYR B 1 251 ? -3.393 -38.483 2.183 1.00 59.27 ? 384 TYR B CE2 1 ATOM 4582 C CZ . TYR B 1 251 ? -2.352 -37.614 1.926 1.00 53.83 ? 384 TYR B CZ 1 ATOM 4583 O OH . TYR B 1 251 ? -2.496 -36.643 0.964 1.00 57.78 ? 384 TYR B OH 1 ATOM 4584 N N . CYS B 1 252 ? -3.191 -41.332 8.108 1.00 51.86 ? 385 CYS B N 1 ATOM 4585 C CA . CYS B 1 252 ? -3.327 -42.314 9.181 1.00 49.50 ? 385 CYS B CA 1 ATOM 4586 C C . CYS B 1 252 ? -4.557 -43.211 9.061 1.00 56.63 ? 385 CYS B C 1 ATOM 4587 O O . CYS B 1 252 ? -5.679 -42.731 8.899 1.00 57.47 ? 385 CYS B O 1 ATOM 4588 C CB . CYS B 1 252 ? -3.318 -41.617 10.543 1.00 49.09 ? 385 CYS B CB 1 ATOM 4589 S SG . CYS B 1 252 ? -1.801 -40.694 10.874 1.00 54.39 ? 385 CYS B SG 1 ATOM 4590 N N . ASN B 1 253 ? -4.324 -44.518 9.144 1.00 59.14 ? 386 ASN B N 1 ATOM 4591 C CA . ASN B 1 253 ? -5.393 -45.507 9.148 1.00 60.39 ? 386 ASN B CA 1 ATOM 4592 C C . ASN B 1 253 ? -6.201 -45.389 10.436 1.00 64.89 ? 386 ASN B C 1 ATOM 4593 O O . ASN B 1 253 ? -5.662 -45.555 11.531 1.00 73.97 ? 386 ASN B O 1 ATOM 4594 C CB . ASN B 1 253 ? -4.801 -46.914 9.020 1.00 72.14 ? 386 ASN B CB 1 ATOM 4595 C CG . ASN B 1 253 ? -5.831 -47.954 8.614 1.00 86.37 ? 386 ASN B CG 1 ATOM 4596 O OD1 . ASN B 1 253 ? -7.006 -47.860 8.972 1.00 76.61 ? 386 ASN B OD1 1 ATOM 4597 N ND2 . ASN B 1 253 ? -5.388 -48.959 7.860 1.00 109.71 ? 386 ASN B ND2 1 ATOM 4598 N N . THR B 1 254 ? -7.491 -45.097 10.306 1.00 57.57 ? 387 THR B N 1 ATOM 4599 C CA . THR B 1 254 ? -8.340 -44.872 11.471 1.00 54.59 ? 387 THR B CA 1 ATOM 4600 C C . THR B 1 254 ? -9.392 -45.958 11.667 1.00 62.31 ? 387 THR B C 1 ATOM 4601 O O . THR B 1 254 ? -10.430 -45.718 12.285 1.00 61.11 ? 387 THR B O 1 ATOM 4602 C CB . THR B 1 254 ? -9.052 -43.511 11.392 1.00 56.45 ? 387 THR B CB 1 ATOM 4603 O OG1 . THR B 1 254 ? -9.738 -43.402 10.138 1.00 51.29 ? 387 THR B OG1 1 ATOM 4604 C CG2 . THR B 1 254 ? -8.048 -42.380 11.515 1.00 56.19 ? 387 THR B CG2 1 ATOM 4605 N N . THR B 1 255 ? -9.120 -47.151 11.144 1.00 61.92 ? 388 THR B N 1 ATOM 4606 C CA . THR B 1 255 ? -10.047 -48.271 11.271 1.00 67.17 ? 388 THR B CA 1 ATOM 4607 C C . THR B 1 255 ? -10.247 -48.654 12.738 1.00 69.63 ? 388 THR B C 1 ATOM 4608 O O . THR B 1 255 ? -11.328 -49.088 13.136 1.00 76.45 ? 388 THR B O 1 ATOM 4609 C CB . THR B 1 255 ? -9.560 -49.503 10.474 1.00 75.09 ? 388 THR B CB 1 ATOM 4610 O OG1 . THR B 1 255 ? -9.215 -49.109 9.141 1.00 76.64 ? 388 THR B OG1 1 ATOM 4611 C CG2 . THR B 1 255 ? -10.643 -50.569 10.416 1.00 82.79 ? 388 THR B CG2 1 ATOM 4612 N N . GLN B 1 256 ? -9.201 -48.475 13.540 1.00 71.60 ? 389 GLN B N 1 ATOM 4613 C CA . GLN B 1 256 ? -9.262 -48.804 14.961 1.00 70.18 ? 389 GLN B CA 1 ATOM 4614 C C . GLN B 1 256 ? -10.080 -47.783 15.748 1.00 69.59 ? 389 GLN B C 1 ATOM 4615 O O . GLN B 1 256 ? -10.603 -48.090 16.819 1.00 71.76 ? 389 GLN B O 1 ATOM 4616 C CB . GLN B 1 256 ? -7.854 -48.913 15.549 1.00 70.30 ? 389 GLN B CB 1 ATOM 4617 C CG . GLN B 1 256 ? -7.021 -50.044 14.966 1.00 66.70 ? 389 GLN B CG 1 ATOM 4618 C CD . GLN B 1 256 ? -5.635 -50.122 15.578 1.00 79.79 ? 389 GLN B CD 1 ATOM 4619 O OE1 . GLN B 1 256 ? -5.428 -50.792 16.590 1.00 76.16 ? 389 GLN B OE1 1 ATOM 4620 N NE2 . GLN B 1 256 ? -4.679 -49.433 14.966 1.00 63.21 ? 389 GLN B NE2 1 ATOM 4621 N N . LEU B 1 257 ? -10.186 -46.570 15.214 1.00 71.33 ? 390 LEU B N 1 ATOM 4622 C CA . LEU B 1 257 ? -10.953 -45.514 15.865 1.00 68.25 ? 390 LEU B CA 1 ATOM 4623 C C . LEU B 1 257 ? -12.452 -45.709 15.680 1.00 70.51 ? 390 LEU B C 1 ATOM 4624 O O . LEU B 1 257 ? -13.238 -45.467 16.595 1.00 67.34 ? 390 LEU B O 1 ATOM 4625 C CB . LEU B 1 257 ? -10.548 -44.138 15.327 1.00 63.89 ? 390 LEU B CB 1 ATOM 4626 C CG . LEU B 1 257 ? -9.198 -43.569 15.761 1.00 54.39 ? 390 LEU B CG 1 ATOM 4627 C CD1 . LEU B 1 257 ? -9.027 -42.164 15.209 1.00 49.47 ? 390 LEU B CD1 1 ATOM 4628 C CD2 . LEU B 1 257 ? -9.074 -43.569 17.277 1.00 56.36 ? 390 LEU B CD2 1 ATOM 4629 N N . PHE B 1 258 ? -12.846 -46.141 14.488 1.00 78.24 ? 391 PHE B N 1 ATOM 4630 C CA . PHE B 1 258 ? -14.260 -46.300 14.171 1.00 79.85 ? 391 PHE B CA 1 ATOM 4631 C C . PHE B 1 258 ? -14.657 -47.767 14.062 1.00 93.00 ? 391 PHE B C 1 ATOM 4632 O O . PHE B 1 258 ? -15.258 -48.193 13.075 1.00 89.63 ? 391 PHE B O 1 ATOM 4633 C CB . PHE B 1 258 ? -14.613 -45.532 12.896 1.00 70.59 ? 391 PHE B CB 1 ATOM 4634 C CG . PHE B 1 258 ? -14.413 -44.047 13.015 1.00 66.88 ? 391 PHE B CG 1 ATOM 4635 C CD1 . PHE B 1 258 ? -15.403 -43.242 13.550 1.00 66.07 ? 391 PHE B CD1 1 ATOM 4636 C CD2 . PHE B 1 258 ? -13.229 -43.459 12.604 1.00 67.22 ? 391 PHE B CD2 1 ATOM 4637 C CE1 . PHE B 1 258 ? -15.222 -41.879 13.667 1.00 66.32 ? 391 PHE B CE1 1 ATOM 4638 C CE2 . PHE B 1 258 ? -13.039 -42.095 12.717 1.00 66.38 ? 391 PHE B CE2 1 ATOM 4639 C CZ . PHE B 1 258 ? -14.037 -41.302 13.250 1.00 66.62 ? 391 PHE B CZ 1 ATOM 4640 N N . ASN B 1 259 ? -14.307 -48.533 15.089 1.00 103.44 ? 392 ASN B N 1 ATOM 4641 C CA . ASN B 1 259 ? -14.709 -49.927 15.188 1.00 112.98 ? 392 ASN B CA 1 ATOM 4642 C C . ASN B 1 259 ? -15.600 -50.142 16.402 1.00 113.96 ? 392 ASN B C 1 ATOM 4643 O O . ASN B 1 259 ? -15.223 -49.815 17.526 1.00 110.96 ? 392 ASN B O 1 ATOM 4644 C CB . ASN B 1 259 ? -13.485 -50.838 15.271 1.00 119.24 ? 392 ASN B CB 1 ATOM 4645 C CG . ASN B 1 259 ? -13.194 -51.540 13.962 1.00 125.69 ? 392 ASN B CG 1 ATOM 4646 O OD1 . ASN B 1 259 ? -13.727 -51.174 12.915 1.00 125.49 ? 392 ASN B OD1 1 ATOM 4647 N ND2 . ASN B 1 259 ? -12.347 -52.561 14.015 1.00 129.92 ? 392 ASN B ND2 1 ATOM 4648 N N . ASN B 1 260 ? -16.784 -50.699 16.172 1.00 114.41 ? 393 ASN B N 1 ATOM 4649 C CA . ASN B 1 260 ? -17.761 -50.885 17.238 1.00 115.40 ? 393 ASN B CA 1 ATOM 4650 C C . ASN B 1 260 ? -17.427 -52.059 18.162 1.00 123.41 ? 393 ASN B C 1 ATOM 4651 O O . ASN B 1 260 ? -18.323 -52.701 18.708 1.00 124.76 ? 393 ASN B O 1 ATOM 4652 C CB . ASN B 1 260 ? -19.165 -51.047 16.645 1.00 111.34 ? 393 ASN B CB 1 ATOM 4653 C CG . ASN B 1 260 ? -19.528 -49.921 15.691 1.00 100.43 ? 393 ASN B CG 1 ATOM 4654 O OD1 . ASN B 1 260 ? -20.093 -48.903 16.095 1.00 94.79 ? 393 ASN B OD1 1 ATOM 4655 N ND2 . ASN B 1 260 ? -19.199 -50.098 14.416 1.00 101.85 ? 393 ASN B ND2 1 ATOM 4656 N N . THR B 1 261 ? -16.138 -52.327 18.340 1.00 126.48 ? 394 THR B N 1 ATOM 4657 C CA . THR B 1 261 ? -15.689 -53.440 19.171 1.00 131.55 ? 394 THR B CA 1 ATOM 4658 C C . THR B 1 261 ? -15.547 -52.996 20.622 1.00 124.39 ? 394 THR B C 1 ATOM 4659 O O . THR B 1 261 ? -15.754 -53.780 21.555 1.00 122.38 ? 394 THR B O 1 ATOM 4660 C CB . THR B 1 261 ? -14.342 -54.008 18.671 1.00 135.30 ? 394 THR B CB 1 ATOM 4661 O OG1 . THR B 1 261 ? -13.343 -52.978 18.680 1.00 131.87 ? 394 THR B OG1 1 ATOM 4662 C CG2 . THR B 1 261 ? -14.491 -54.557 17.258 1.00 135.30 ? 394 THR B CG2 1 ATOM 4663 N N . CYS B 1 262 ? -15.202 -51.723 20.797 1.00 113.35 ? 395 CYS B N 1 ATOM 4664 C CA . CYS B 1 262 ? -14.910 -51.172 22.116 1.00 107.42 ? 395 CYS B CA 1 ATOM 4665 C C . CYS B 1 262 ? -16.070 -50.354 22.664 1.00 103.12 ? 395 CYS B C 1 ATOM 4666 O O . CYS B 1 262 ? -15.930 -49.164 22.958 1.00 94.15 ? 395 CYS B O 1 ATOM 4667 C CB . CYS B 1 262 ? -13.633 -50.330 22.080 1.00 103.42 ? 395 CYS B CB 1 ATOM 4668 S SG . CYS B 1 262 ? -12.199 -51.192 21.397 1.00 151.02 ? 395 CYS B SG 1 ATOM 4669 N N . ILE B 1 263 ? -17.219 -51.004 22.799 1.00 114.64 ? 396 ILE B N 1 ATOM 4670 C CA . ILE B 1 263 ? -18.399 -50.350 23.353 1.00 115.00 ? 396 ILE B CA 1 ATOM 4671 C C . ILE B 1 263 ? -18.802 -50.971 24.683 1.00 114.45 ? 396 ILE B C 1 ATOM 4672 O O . ILE B 1 263 ? -18.004 -51.027 25.617 1.00 106.96 ? 396 ILE B O 1 ATOM 4673 C CB . ILE B 1 263 ? -19.601 -50.402 22.388 1.00 112.48 ? 396 ILE B CB 1 ATOM 4674 C CG1 . ILE B 1 263 ? -19.267 -49.696 21.075 1.00 101.71 ? 396 ILE B CG1 1 ATOM 4675 C CG2 . ILE B 1 263 ? -20.833 -49.771 23.030 1.00 111.81 ? 396 ILE B CG2 1 ATOM 4676 C CD1 . ILE B 1 263 ? -20.401 -49.704 20.074 1.00 102.27 ? 396 ILE B CD1 1 ATOM 4677 N N . ASN B 1 272 ? -8.064 -51.418 25.776 1.00 118.05 ? 411 ASN B N 1 ATOM 4678 C CA . ASN B 1 272 ? -8.512 -50.041 25.956 1.00 110.10 ? 411 ASN B CA 1 ATOM 4679 C C . ASN B 1 272 ? -7.444 -49.158 26.600 1.00 108.31 ? 411 ASN B C 1 ATOM 4680 O O . ASN B 1 272 ? -7.746 -48.171 27.268 1.00 102.05 ? 411 ASN B O 1 ATOM 4681 C CB . ASN B 1 272 ? -9.814 -50.005 26.758 1.00 114.02 ? 411 ASN B CB 1 ATOM 4682 C CG . ASN B 1 272 ? -10.977 -50.619 26.000 1.00 121.05 ? 411 ASN B CG 1 ATOM 4683 O OD1 . ASN B 1 272 ? -11.734 -49.916 25.329 1.00 115.93 ? 411 ASN B OD1 1 ATOM 4684 N ND2 . ASN B 1 272 ? -11.116 -51.936 26.090 1.00 128.22 ? 411 ASN B ND2 1 ATOM 4685 N N . GLY B 1 273 ? -6.188 -49.527 26.381 1.00 113.34 ? 412 GLY B N 1 ATOM 4686 C CA . GLY B 1 273 ? -5.062 -48.733 26.832 1.00 74.20 ? 412 GLY B CA 1 ATOM 4687 C C . GLY B 1 273 ? -4.748 -47.625 25.847 1.00 86.85 ? 412 GLY B C 1 ATOM 4688 O O . GLY B 1 273 ? -5.405 -46.584 25.837 1.00 83.29 ? 412 GLY B O 1 ATOM 4689 N N . THR B 1 274 ? -3.740 -47.853 25.012 1.00 67.50 ? 413 THR B N 1 ATOM 4690 C CA . THR B 1 274 ? -3.330 -46.874 24.016 1.00 62.74 ? 413 THR B CA 1 ATOM 4691 C C . THR B 1 274 ? -3.617 -47.385 22.608 1.00 62.74 ? 413 THR B C 1 ATOM 4692 O O . THR B 1 274 ? -3.130 -48.442 22.211 1.00 67.67 ? 413 THR B O 1 ATOM 4693 C CB . THR B 1 274 ? -1.830 -46.539 24.140 1.00 71.74 ? 413 THR B CB 1 ATOM 4694 O OG1 . THR B 1 274 ? -1.577 -45.941 25.419 1.00 62.32 ? 413 THR B OG1 1 ATOM 4695 C CG2 . THR B 1 274 ? -1.398 -45.577 23.039 1.00 57.29 ? 413 THR B CG2 1 ATOM 4696 N N . ILE B 1 275 ? -4.421 -46.631 21.868 1.00 62.43 ? 414 ILE B N 1 ATOM 4697 C CA . ILE B 1 275 ? -4.726 -46.962 20.483 1.00 67.86 ? 414 ILE B CA 1 ATOM 4698 C C . ILE B 1 275 ? -3.639 -46.411 19.572 1.00 55.87 ? 414 ILE B C 1 ATOM 4699 O O . ILE B 1 275 ? -3.419 -45.203 19.521 1.00 54.05 ? 414 ILE B O 1 ATOM 4700 C CB . ILE B 1 275 ? -6.075 -46.365 20.049 1.00 69.63 ? 414 ILE B CB 1 ATOM 4701 C CG1 . ILE B 1 275 ? -7.203 -46.894 20.935 1.00 73.89 ? 414 ILE B CG1 1 ATOM 4702 C CG2 . ILE B 1 275 ? -6.349 -46.672 18.584 1.00 73.37 ? 414 ILE B CG2 1 ATOM 4703 C CD1 . ILE B 1 275 ? -8.564 -46.338 20.579 1.00 72.20 ? 414 ILE B CD1 1 ATOM 4704 N N . THR B 1 276 ? -2.960 -47.299 18.854 1.00 66.65 ? 415 THR B N 1 ATOM 4705 C CA . THR B 1 276 ? -1.894 -46.886 17.950 1.00 65.18 ? 415 THR B CA 1 ATOM 4706 C C . THR B 1 276 ? -2.338 -46.987 16.494 1.00 63.00 ? 415 THR B C 1 ATOM 4707 O O . THR B 1 276 ? -2.551 -48.082 15.976 1.00 58.30 ? 415 THR B O 1 ATOM 4708 C CB . THR B 1 276 ? -0.623 -47.730 18.152 1.00 69.92 ? 415 THR B CB 1 ATOM 4709 O OG1 . THR B 1 276 ? -0.203 -47.647 19.519 1.00 74.58 ? 415 THR B OG1 1 ATOM 4710 C CG2 . THR B 1 276 ? 0.495 -47.230 17.250 1.00 55.92 ? 415 THR B CG2 1 ATOM 4711 N N . LEU B 1 277 ? -2.480 -45.838 15.843 1.00 51.72 ? 416 LEU B N 1 ATOM 4712 C CA . LEU B 1 277 ? -2.868 -45.797 14.439 1.00 57.68 ? 416 LEU B CA 1 ATOM 4713 C C . LEU B 1 277 ? -1.636 -45.788 13.547 1.00 56.56 ? 416 LEU B C 1 ATOM 4714 O O . LEU B 1 277 ? -0.785 -44.911 13.677 1.00 52.80 ? 416 LEU B O 1 ATOM 4715 C CB . LEU B 1 277 ? -3.694 -44.545 14.148 1.00 55.04 ? 416 LEU B CB 1 ATOM 4716 C CG . LEU B 1 277 ? -4.928 -44.282 15.006 1.00 48.36 ? 416 LEU B CG 1 ATOM 4717 C CD1 . LEU B 1 277 ? -5.562 -42.963 14.595 1.00 45.91 ? 416 LEU B CD1 1 ATOM 4718 C CD2 . LEU B 1 277 ? -5.924 -45.422 14.882 1.00 51.84 ? 416 LEU B CD2 1 ATOM 4719 N N . PRO B 1 278 ? -1.540 -46.759 12.627 1.00 55.75 ? 417 PRO B N 1 ATOM 4720 C CA . PRO B 1 278 ? -0.429 -46.766 11.670 1.00 53.94 ? 417 PRO B CA 1 ATOM 4721 C C . PRO B 1 278 ? -0.555 -45.596 10.703 1.00 52.66 ? 417 PRO B C 1 ATOM 4722 O O . PRO B 1 278 ? -1.643 -45.341 10.187 1.00 58.95 ? 417 PRO B O 1 ATOM 4723 C CB . PRO B 1 278 ? -0.611 -48.097 10.933 1.00 58.16 ? 417 PRO B CB 1 ATOM 4724 C CG . PRO B 1 278 ? -2.062 -48.409 11.067 1.00 61.11 ? 417 PRO B CG 1 ATOM 4725 C CD . PRO B 1 278 ? -2.469 -47.882 12.412 1.00 60.37 ? 417 PRO B CD 1 ATOM 4726 N N . CYS B 1 279 ? 0.545 -44.886 10.470 1.00 49.33 ? 418 CYS B N 1 ATOM 4727 C CA . CYS B 1 279 ? 0.513 -43.698 9.626 1.00 46.96 ? 418 CYS B CA 1 ATOM 4728 C C . CYS B 1 279 ? 1.586 -43.724 8.549 1.00 52.41 ? 418 CYS B C 1 ATOM 4729 O O . CYS B 1 279 ? 2.558 -44.475 8.632 1.00 49.54 ? 418 CYS B O 1 ATOM 4730 C CB . CYS B 1 279 ? 0.676 -42.429 10.470 1.00 49.35 ? 418 CYS B CB 1 ATOM 4731 S SG . CYS B 1 279 ? -0.637 -42.151 11.677 1.00 71.21 ? 418 CYS B SG 1 ATOM 4732 N N . LYS B 1 280 ? 1.399 -42.888 7.535 1.00 46.84 ? 419 LYS B N 1 ATOM 4733 C CA . LYS B 1 280 ? 2.399 -42.714 6.496 1.00 47.60 ? 419 LYS B CA 1 ATOM 4734 C C . LYS B 1 280 ? 2.575 -41.242 6.154 1.00 45.05 ? 419 LYS B C 1 ATOM 4735 O O . LYS B 1 280 ? 1.605 -40.486 6.083 1.00 48.73 ? 419 LYS B O 1 ATOM 4736 C CB . LYS B 1 280 ? 2.007 -43.476 5.232 1.00 50.86 ? 419 LYS B CB 1 ATOM 4737 C CG . LYS B 1 280 ? 2.042 -44.983 5.355 1.00 88.91 ? 419 LYS B CG 1 ATOM 4738 C CD . LYS B 1 280 ? 1.816 -45.617 3.999 1.00 97.24 ? 419 LYS B CD 1 ATOM 4739 C CE . LYS B 1 280 ? 2.038 -47.118 4.037 1.00 101.63 ? 419 LYS B CE 1 ATOM 4740 N NZ . LYS B 1 280 ? 2.200 -47.683 2.664 1.00 105.36 ? 419 LYS B NZ 1 ATOM 4741 N N . ILE B 1 281 ? 3.822 -40.841 5.942 1.00 48.18 ? 420 ILE B N 1 ATOM 4742 C CA . ILE B 1 281 ? 4.112 -39.523 5.408 1.00 43.19 ? 420 ILE B CA 1 ATOM 4743 C C . ILE B 1 281 ? 4.229 -39.640 3.894 1.00 52.64 ? 420 ILE B C 1 ATOM 4744 O O . ILE B 1 281 ? 5.172 -40.242 3.383 1.00 57.06 ? 420 ILE B O 1 ATOM 4745 C CB . ILE B 1 281 ? 5.414 -38.952 5.987 1.00 41.92 ? 420 ILE B CB 1 ATOM 4746 C CG1 . ILE B 1 281 ? 5.298 -38.806 7.506 1.00 55.21 ? 420 ILE B CG1 1 ATOM 4747 C CG2 . ILE B 1 281 ? 5.734 -37.613 5.344 1.00 45.95 ? 420 ILE B CG2 1 ATOM 4748 C CD1 . ILE B 1 281 ? 6.516 -38.185 8.155 1.00 39.02 ? 420 ILE B CD1 1 ATOM 4749 N N . LYS B 1 282 ? 3.259 -39.075 3.180 1.00 50.80 ? 421 LYS B N 1 ATOM 4750 C CA . LYS B 1 282 ? 3.223 -39.195 1.727 1.00 50.45 ? 421 LYS B CA 1 ATOM 4751 C C . LYS B 1 282 ? 3.845 -37.996 1.021 1.00 48.30 ? 421 LYS B C 1 ATOM 4752 O O . LYS B 1 282 ? 3.654 -36.851 1.429 1.00 46.34 ? 421 LYS B O 1 ATOM 4753 C CB . LYS B 1 282 ? 1.789 -39.407 1.234 1.00 55.60 ? 421 LYS B CB 1 ATOM 4754 C CG . LYS B 1 282 ? 1.184 -40.745 1.635 1.00 57.82 ? 421 LYS B CG 1 ATOM 4755 C CD . LYS B 1 282 ? -0.153 -40.994 0.946 1.00 53.53 ? 421 LYS B CD 1 ATOM 4756 C CE . LYS B 1 282 ? 0.023 -41.547 -0.466 1.00 72.15 ? 421 LYS B CE 1 ATOM 4757 N NZ . LYS B 1 282 ? 0.548 -40.549 -1.438 1.00 78.27 ? 421 LYS B NZ 1 ATOM 4758 N N . GLN B 1 283 ? 4.593 -38.274 -0.041 1.00 53.35 ? 422 GLN B N 1 ATOM 4759 C CA . GLN B 1 283 ? 5.183 -37.229 -0.866 1.00 66.49 ? 422 GLN B CA 1 ATOM 4760 C C . GLN B 1 283 ? 4.231 -36.852 -1.996 1.00 64.73 ? 422 GLN B C 1 ATOM 4761 O O . GLN B 1 283 ? 4.150 -35.689 -2.385 1.00 54.94 ? 422 GLN B O 1 ATOM 4762 C CB . GLN B 1 283 ? 6.521 -37.690 -1.445 1.00 68.41 ? 422 GLN B CB 1 ATOM 4763 C CG . GLN B 1 283 ? 7.527 -38.140 -0.401 1.00 68.17 ? 422 GLN B CG 1 ATOM 4764 C CD . GLN B 1 283 ? 8.854 -38.549 -1.009 1.00 68.31 ? 422 GLN B CD 1 ATOM 4765 O OE1 . GLN B 1 283 ? 9.415 -39.588 -0.663 1.00 78.06 ? 422 GLN B OE1 1 ATOM 4766 N NE2 . GLN B 1 283 ? 9.367 -37.726 -1.916 1.00 60.81 ? 422 GLN B NE2 1 ATOM 4767 N N . ILE B 1 284 ? 3.514 -37.842 -2.517 1.00 56.38 ? 423 ILE B N 1 ATOM 4768 C CA . ILE B 1 284 ? 2.533 -37.607 -3.572 1.00 58.97 ? 423 ILE B CA 1 ATOM 4769 C C . ILE B 1 284 ? 1.154 -37.384 -2.960 1.00 68.64 ? 423 ILE B C 1 ATOM 4770 O O . ILE B 1 284 ? 0.684 -38.194 -2.160 1.00 61.04 ? 423 ILE B O 1 ATOM 4771 C CB . ILE B 1 284 ? 2.476 -38.785 -4.561 1.00 63.46 ? 423 ILE B CB 1 ATOM 4772 C CG1 . ILE B 1 284 ? 3.884 -39.142 -5.040 1.00 65.38 ? 423 ILE B CG1 1 ATOM 4773 C CG2 . ILE B 1 284 ? 1.570 -38.452 -5.736 1.00 66.74 ? 423 ILE B CG2 1 ATOM 4774 C CD1 . ILE B 1 284 ? 3.924 -40.286 -6.025 1.00 74.87 ? 423 ILE B CD1 1 ATOM 4775 N N . ILE B 1 285 ? 0.511 -36.282 -3.333 1.00 71.17 ? 424 ILE B N 1 ATOM 4776 C CA . ILE B 1 285 ? -0.740 -35.870 -2.700 1.00 70.09 ? 424 ILE B CA 1 ATOM 4777 C C . ILE B 1 285 ? -1.749 -35.323 -3.710 1.00 71.74 ? 424 ILE B C 1 ATOM 4778 O O . ILE B 1 285 ? -1.378 -34.615 -4.644 1.00 69.05 ? 424 ILE B O 1 ATOM 4779 C CB . ILE B 1 285 ? -0.480 -34.790 -1.612 1.00 65.49 ? 424 ILE B CB 1 ATOM 4780 C CG1 . ILE B 1 285 ? 0.279 -35.383 -0.424 1.00 63.41 ? 424 ILE B CG1 1 ATOM 4781 C CG2 . ILE B 1 285 ? -1.778 -34.162 -1.126 1.00 71.50 ? 424 ILE B CG2 1 ATOM 4782 C CD1 . ILE B 1 285 ? 1.729 -34.975 -0.372 1.00 76.35 ? 424 ILE B CD1 1 ATOM 4783 N N . ASN B 1 286 ? -3.021 -35.671 -3.526 1.00 75.00 ? 425 ASN B N 1 ATOM 4784 C CA . ASN B 1 286 ? -4.109 -34.990 -4.217 1.00 87.95 ? 425 ASN B CA 1 ATOM 4785 C C . ASN B 1 286 ? -4.491 -33.708 -3.477 1.00 92.79 ? 425 ASN B C 1 ATOM 4786 O O . ASN B 1 286 ? -4.875 -33.748 -2.306 1.00 84.11 ? 425 ASN B O 1 ATOM 4787 C CB . ASN B 1 286 ? -5.324 -35.907 -4.357 1.00 89.82 ? 425 ASN B CB 1 ATOM 4788 C CG . ASN B 1 286 ? -5.241 -36.800 -5.578 1.00 89.31 ? 425 ASN B CG 1 ATOM 4789 O OD1 . ASN B 1 286 ? -5.860 -36.523 -6.605 1.00 101.56 ? 425 ASN B OD1 1 ATOM 4790 N ND2 . ASN B 1 286 ? -4.469 -37.875 -5.476 1.00 88.09 ? 425 ASN B ND2 1 ATOM 4791 N N . MET B 1 287 ? -4.381 -32.576 -4.165 1.00 93.78 ? 426 MET B N 1 ATOM 4792 C CA . MET B 1 287 ? -4.591 -31.271 -3.543 1.00 93.48 ? 426 MET B CA 1 ATOM 4793 C C . MET B 1 287 ? -6.058 -31.014 -3.193 1.00 95.38 ? 426 MET B C 1 ATOM 4794 O O . MET B 1 287 ? -6.963 -31.424 -3.920 1.00 92.96 ? 426 MET B O 1 ATOM 4795 C CB . MET B 1 287 ? -4.058 -30.162 -4.453 1.00 96.03 ? 426 MET B CB 1 ATOM 4796 C CG . MET B 1 287 ? -2.668 -30.440 -5.002 1.00 100.41 ? 426 MET B CG 1 ATOM 4797 S SD . MET B 1 287 ? -1.980 -29.074 -5.956 1.00 111.59 ? 426 MET B SD 1 ATOM 4798 C CE . MET B 1 287 ? -1.656 -27.887 -4.656 1.00 84.21 ? 426 MET B CE 1 ATOM 4799 N N . TRP B 1 288 ? -6.282 -30.329 -2.074 1.00 95.28 ? 427 TRP B N 1 ATOM 4800 C CA . TRP B 1 288 ? -7.636 -30.040 -1.609 1.00 94.75 ? 427 TRP B CA 1 ATOM 4801 C C . TRP B 1 288 ? -8.206 -28.773 -2.237 1.00 99.12 ? 427 TRP B C 1 ATOM 4802 O O . TRP B 1 288 ? -9.373 -28.438 -2.029 1.00 97.66 ? 427 TRP B O 1 ATOM 4803 C CB . TRP B 1 288 ? -7.676 -29.935 -0.082 1.00 89.23 ? 427 TRP B CB 1 ATOM 4804 C CG . TRP B 1 288 ? -6.803 -28.859 0.482 1.00 80.50 ? 427 TRP B CG 1 ATOM 4805 C CD1 . TRP B 1 288 ? -5.509 -28.988 0.893 1.00 78.71 ? 427 TRP B CD1 1 ATOM 4806 C CD2 . TRP B 1 288 ? -7.160 -27.489 0.703 1.00 71.83 ? 427 TRP B CD2 1 ATOM 4807 N NE1 . TRP B 1 288 ? -5.037 -27.783 1.355 1.00 75.52 ? 427 TRP B NE1 1 ATOM 4808 C CE2 . TRP B 1 288 ? -6.031 -26.846 1.249 1.00 71.73 ? 427 TRP B CE2 1 ATOM 4809 C CE3 . TRP B 1 288 ? -8.323 -26.743 0.492 1.00 69.80 ? 427 TRP B CE3 1 ATOM 4810 C CZ2 . TRP B 1 288 ? -6.031 -25.495 1.587 1.00 70.39 ? 427 TRP B CZ2 1 ATOM 4811 C CZ3 . TRP B 1 288 ? -8.321 -25.400 0.828 1.00 75.22 ? 427 TRP B CZ3 1 ATOM 4812 C CH2 . TRP B 1 288 ? -7.182 -24.791 1.368 1.00 73.35 ? 427 TRP B CH2 1 ATOM 4813 N N . GLN B 1 289 ? -7.381 -28.070 -3.006 1.00 101.88 ? 428 GLN B N 1 ATOM 4814 C CA . GLN B 1 289 ? -7.830 -26.875 -3.713 1.00 103.73 ? 428 GLN B CA 1 ATOM 4815 C C . GLN B 1 289 ? -8.651 -27.255 -4.940 1.00 106.64 ? 428 GLN B C 1 ATOM 4816 O O . GLN B 1 289 ? -9.246 -26.396 -5.590 1.00 108.18 ? 428 GLN B O 1 ATOM 4817 C CB . GLN B 1 289 ? -6.641 -26.004 -4.128 1.00 99.70 ? 428 GLN B CB 1 ATOM 4818 C CG . GLN B 1 289 ? -5.845 -25.411 -2.972 1.00 88.45 ? 428 GLN B CG 1 ATOM 4819 C CD . GLN B 1 289 ? -4.804 -26.367 -2.420 1.00 80.71 ? 428 GLN B CD 1 ATOM 4820 O OE1 . GLN B 1 289 ? -5.112 -27.503 -2.057 1.00 73.88 ? 428 GLN B OE1 1 ATOM 4821 N NE2 . GLN B 1 289 ? -3.558 -25.908 -2.357 1.00 75.48 ? 428 GLN B NE2 1 ATOM 4822 N N . GLY B 1 290 ? -8.676 -28.547 -5.251 1.00 107.74 ? 429 GLY B N 1 ATOM 4823 C CA . GLY B 1 290 ? -9.395 -29.042 -6.409 1.00 110.82 ? 429 GLY B CA 1 ATOM 4824 C C . GLY B 1 290 ? -8.528 -29.023 -7.651 1.00 112.55 ? 429 GLY B C 1 ATOM 4825 O O . GLY B 1 290 ? -8.950 -29.463 -8.721 1.00 113.05 ? 429 GLY B O 1 ATOM 4826 N N . THR B 1 291 ? -7.310 -28.512 -7.504 1.00 114.32 ? 430 THR B N 1 ATOM 4827 C CA . THR B 1 291 ? -6.372 -28.418 -8.617 1.00 119.39 ? 430 THR B CA 1 ATOM 4828 C C . THR B 1 291 ? -5.996 -29.798 -9.147 1.00 117.43 ? 430 THR B C 1 ATOM 4829 O O . THR B 1 291 ? -6.226 -30.101 -10.317 1.00 119.20 ? 430 THR B O 1 ATOM 4830 C CB . THR B 1 291 ? -5.096 -27.651 -8.219 1.00 121.41 ? 430 THR B CB 1 ATOM 4831 O OG1 . THR B 1 291 ? -4.517 -28.251 -7.054 1.00 122.20 ? 430 THR B OG1 1 ATOM 4832 C CG2 . THR B 1 291 ? -5.422 -26.196 -7.921 1.00 117.93 ? 430 THR B CG2 1 ATOM 4833 N N . GLY B 1 292 ? -5.425 -30.633 -8.283 1.00 119.37 ? 431 GLY B N 1 ATOM 4834 C CA . GLY B 1 292 ? -5.062 -31.984 -8.667 1.00 117.02 ? 431 GLY B CA 1 ATOM 4835 C C . GLY B 1 292 ? -4.024 -32.638 -7.775 1.00 110.81 ? 431 GLY B C 1 ATOM 4836 O O . GLY B 1 292 ? -4.224 -32.767 -6.569 1.00 99.82 ? 431 GLY B O 1 ATOM 4837 N N . GLN B 1 293 ? -2.911 -33.053 -8.375 1.00 113.56 ? 432 GLN B N 1 ATOM 4838 C CA . GLN B 1 293 ? -1.866 -33.769 -7.649 1.00 111.28 ? 432 GLN B CA 1 ATOM 4839 C C . GLN B 1 293 ? -0.553 -32.990 -7.555 1.00 107.05 ? 432 GLN B C 1 ATOM 4840 O O . GLN B 1 293 ? -0.310 -32.067 -8.334 1.00 105.96 ? 432 GLN B O 1 ATOM 4841 C CB . GLN B 1 293 ? -1.610 -35.142 -8.281 1.00 114.53 ? 432 GLN B CB 1 ATOM 4842 C CG . GLN B 1 293 ? -2.708 -36.171 -8.041 1.00 118.35 ? 432 GLN B CG 1 ATOM 4843 C CD . GLN B 1 293 ? -3.873 -36.039 -9.006 1.00 124.34 ? 432 GLN B CD 1 ATOM 4844 O OE1 . GLN B 1 293 ? -3.991 -35.049 -9.729 1.00 132.33 ? 432 GLN B OE1 1 ATOM 4845 N NE2 . GLN B 1 293 ? -4.739 -37.046 -9.026 1.00 122.64 ? 432 GLN B NE2 1 ATOM 4846 N N . ALA B 1 294 ? 0.286 -33.378 -6.599 1.00 99.37 ? 433 ALA B N 1 ATOM 4847 C CA . ALA B 1 294 ? 1.584 -32.743 -6.388 1.00 93.16 ? 433 ALA B CA 1 ATOM 4848 C C . ALA B 1 294 ? 2.519 -33.670 -5.614 1.00 83.79 ? 433 ALA B C 1 ATOM 4849 O O . ALA B 1 294 ? 2.066 -34.493 -4.818 1.00 74.02 ? 433 ALA B O 1 ATOM 4850 C CB . ALA B 1 294 ? 1.415 -31.426 -5.647 1.00 86.36 ? 433 ALA B CB 1 ATOM 4851 N N . MET B 1 295 ? 3.823 -33.533 -5.845 1.00 76.38 ? 434 MET B N 1 ATOM 4852 C CA . MET B 1 295 ? 4.806 -34.372 -5.163 1.00 71.05 ? 434 MET B CA 1 ATOM 4853 C C . MET B 1 295 ? 5.878 -33.562 -4.432 1.00 66.57 ? 434 MET B C 1 ATOM 4854 O O . MET B 1 295 ? 6.521 -32.692 -5.017 1.00 59.43 ? 434 MET B O 1 ATOM 4855 C CB . MET B 1 295 ? 5.459 -35.355 -6.138 1.00 74.41 ? 434 MET B CB 1 ATOM 4856 C CG . MET B 1 295 ? 6.448 -36.302 -5.477 1.00 74.49 ? 434 MET B CG 1 ATOM 4857 S SD . MET B 1 295 ? 6.945 -37.675 -6.536 1.00 92.45 ? 434 MET B SD 1 ATOM 4858 C CE . MET B 1 295 ? 7.747 -36.803 -7.880 1.00 78.80 ? 434 MET B CE 1 ATOM 4859 N N . TYR B 1 296 ? 6.070 -33.868 -3.152 1.00 57.24 ? 435 TYR B N 1 ATOM 4860 C CA . TYR B 1 296 ? 7.023 -33.142 -2.317 1.00 60.04 ? 435 TYR B CA 1 ATOM 4861 C C . TYR B 1 296 ? 8.293 -33.945 -2.041 1.00 60.71 ? 435 TYR B C 1 ATOM 4862 O O . TYR B 1 296 ? 8.416 -35.098 -2.447 1.00 61.16 ? 435 TYR B O 1 ATOM 4863 C CB . TYR B 1 296 ? 6.369 -32.730 -0.996 1.00 50.85 ? 435 TYR B CB 1 ATOM 4864 C CG . TYR B 1 296 ? 5.230 -31.749 -1.159 1.00 57.91 ? 435 TYR B CG 1 ATOM 4865 C CD1 . TYR B 1 296 ? 3.938 -32.191 -1.411 1.00 61.19 ? 435 TYR B CD1 1 ATOM 4866 C CD2 . TYR B 1 296 ? 5.447 -30.381 -1.061 1.00 58.61 ? 435 TYR B CD2 1 ATOM 4867 C CE1 . TYR B 1 296 ? 2.895 -31.298 -1.563 1.00 63.13 ? 435 TYR B CE1 1 ATOM 4868 C CE2 . TYR B 1 296 ? 4.411 -29.479 -1.211 1.00 55.47 ? 435 TYR B CE2 1 ATOM 4869 C CZ . TYR B 1 296 ? 3.137 -29.944 -1.461 1.00 57.41 ? 435 TYR B CZ 1 ATOM 4870 O OH . TYR B 1 296 ? 2.102 -29.049 -1.610 1.00 49.96 ? 435 TYR B OH 1 ATOM 4871 N N . ALA B 1 297 ? 9.233 -33.317 -1.341 1.00 64.89 ? 436 ALA B N 1 ATOM 4872 C CA . ALA B 1 297 ? 10.503 -33.943 -0.997 1.00 63.74 ? 436 ALA B CA 1 ATOM 4873 C C . ALA B 1 297 ? 10.329 -34.928 0.161 1.00 56.77 ? 436 ALA B C 1 ATOM 4874 O O . ALA B 1 297 ? 9.351 -34.843 0.900 1.00 47.29 ? 436 ALA B O 1 ATOM 4875 C CB . ALA B 1 297 ? 11.529 -32.869 -0.640 1.00 64.55 ? 436 ALA B CB 1 ATOM 4876 N N . PRO B 1 298 ? 11.270 -35.880 0.305 1.00 59.26 ? 437 PRO B N 1 ATOM 4877 C CA . PRO B 1 298 ? 11.267 -36.818 1.436 1.00 55.99 ? 437 PRO B CA 1 ATOM 4878 C C . PRO B 1 298 ? 11.278 -36.099 2.785 1.00 57.36 ? 437 PRO B C 1 ATOM 4879 O O . PRO B 1 298 ? 11.845 -35.011 2.883 1.00 60.66 ? 437 PRO B O 1 ATOM 4880 C CB . PRO B 1 298 ? 12.573 -37.590 1.241 1.00 62.19 ? 437 PRO B CB 1 ATOM 4881 C CG . PRO B 1 298 ? 12.785 -37.577 -0.225 1.00 64.70 ? 437 PRO B CG 1 ATOM 4882 C CD . PRO B 1 298 ? 12.297 -36.234 -0.692 1.00 57.69 ? 437 PRO B CD 1 ATOM 4883 N N . PRO B 1 299 ? 10.662 -36.709 3.812 1.00 61.19 ? 438 PRO B N 1 ATOM 4884 C CA . PRO B 1 299 ? 10.515 -36.133 5.156 1.00 57.20 ? 438 PRO B CA 1 ATOM 4885 C C . PRO B 1 299 ? 11.833 -35.659 5.761 1.00 49.72 ? 438 PRO B C 1 ATOM 4886 O O . PRO B 1 299 ? 12.890 -36.207 5.448 1.00 51.36 ? 438 PRO B O 1 ATOM 4887 C CB . PRO B 1 299 ? 9.969 -37.305 5.977 1.00 66.48 ? 438 PRO B CB 1 ATOM 4888 C CG . PRO B 1 299 ? 9.278 -38.167 4.990 1.00 67.72 ? 438 PRO B CG 1 ATOM 4889 C CD . PRO B 1 299 ? 10.063 -38.053 3.721 1.00 61.42 ? 438 PRO B CD 1 ATOM 4890 N N . ILE B 1 300 ? 11.760 -34.648 6.621 1.00 44.49 ? 439 ILE B N 1 ATOM 4891 C CA . ILE B 1 300 ? 12.939 -34.136 7.311 1.00 49.61 ? 439 ILE B CA 1 ATOM 4892 C C . ILE B 1 300 ? 13.485 -35.158 8.301 1.00 60.02 ? 439 ILE B C 1 ATOM 4893 O O . ILE B 1 300 ? 12.789 -36.099 8.686 1.00 62.07 ? 439 ILE B O 1 ATOM 4894 C CB . ILE B 1 300 ? 12.629 -32.825 8.062 1.00 54.46 ? 439 ILE B CB 1 ATOM 4895 C CG1 . ILE B 1 300 ? 11.405 -33.004 8.962 1.00 60.06 ? 439 ILE B CG1 1 ATOM 4896 C CG2 . ILE B 1 300 ? 12.399 -31.693 7.082 1.00 56.71 ? 439 ILE B CG2 1 ATOM 4897 C CD1 . ILE B 1 300 ? 10.959 -31.730 9.655 1.00 62.22 ? 439 ILE B CD1 1 ATOM 4898 N N . ASP B 1 301 ? 14.736 -34.969 8.709 1.00 66.47 ? 440 ASP B N 1 ATOM 4899 C CA . ASP B 1 301 ? 15.374 -35.862 9.671 1.00 67.15 ? 440 ASP B CA 1 ATOM 4900 C C . ASP B 1 301 ? 14.894 -35.580 11.088 1.00 62.53 ? 440 ASP B C 1 ATOM 4901 O O . ASP B 1 301 ? 14.222 -34.580 11.340 1.00 61.49 ? 440 ASP B O 1 ATOM 4902 C CB . ASP B 1 301 ? 16.894 -35.720 9.607 1.00 69.70 ? 440 ASP B CB 1 ATOM 4903 C CG . ASP B 1 301 ? 17.475 -36.272 8.321 1.00 72.75 ? 440 ASP B CG 1 ATOM 4904 O OD1 . ASP B 1 301 ? 17.047 -37.367 7.896 1.00 77.34 ? 440 ASP B OD1 1 ATOM 4905 O OD2 . ASP B 1 301 ? 18.355 -35.609 7.732 1.00 75.23 ? 440 ASP B OD2 1 ATOM 4906 N N . GLY B 1 302 ? 15.245 -36.470 12.010 1.00 64.10 ? 441 GLY B N 1 ATOM 4907 C CA . GLY B 1 302 ? 14.912 -36.291 13.412 1.00 69.63 ? 441 GLY B CA 1 ATOM 4908 C C . GLY B 1 302 ? 13.461 -36.586 13.731 1.00 63.69 ? 441 GLY B C 1 ATOM 4909 O O . GLY B 1 302 ? 12.699 -37.028 12.870 1.00 58.03 ? 441 GLY B O 1 ATOM 4910 N N . LYS B 1 303 ? 13.076 -36.337 14.979 1.00 51.48 ? 442 LYS B N 1 ATOM 4911 C CA . LYS B 1 303 ? 11.717 -36.605 15.424 1.00 45.72 ? 442 LYS B CA 1 ATOM 4912 C C . LYS B 1 303 ? 10.735 -35.575 14.881 1.00 43.19 ? 442 LYS B C 1 ATOM 4913 O O . LYS B 1 303 ? 10.967 -34.369 14.970 1.00 43.93 ? 442 LYS B O 1 ATOM 4914 C CB . LYS B 1 303 ? 11.642 -36.645 16.954 1.00 42.66 ? 442 LYS B CB 1 ATOM 4915 C CG . LYS B 1 303 ? 10.263 -37.004 17.487 1.00 40.87 ? 442 LYS B CG 1 ATOM 4916 C CD . LYS B 1 303 ? 10.266 -37.173 18.999 1.00 50.66 ? 442 LYS B CD 1 ATOM 4917 C CE . LYS B 1 303 ? 10.524 -35.857 19.708 1.00 65.26 ? 442 LYS B CE 1 ATOM 4918 N NZ . LYS B 1 303 ? 10.459 -36.006 21.189 1.00 72.97 ? 442 LYS B NZ 1 ATOM 4919 N N . ILE B 1 304 ? 9.642 -36.064 14.308 1.00 41.12 ? 443 ILE B N 1 ATOM 4920 C CA . ILE B 1 304 ? 8.557 -35.210 13.855 1.00 38.06 ? 443 ILE B CA 1 ATOM 4921 C C . ILE B 1 304 ? 7.334 -35.534 14.696 1.00 42.85 ? 443 ILE B C 1 ATOM 4922 O O . ILE B 1 304 ? 6.852 -36.666 14.688 1.00 47.08 ? 443 ILE B O 1 ATOM 4923 C CB . ILE B 1 304 ? 8.229 -35.451 12.372 1.00 39.28 ? 443 ILE B CB 1 ATOM 4924 C CG1 . ILE B 1 304 ? 9.503 -35.400 11.527 1.00 35.82 ? 443 ILE B CG1 1 ATOM 4925 C CG2 . ILE B 1 304 ? 7.210 -34.432 11.879 1.00 41.81 ? 443 ILE B CG2 1 ATOM 4926 C CD1 . ILE B 1 304 ? 9.287 -35.776 10.075 1.00 50.34 ? 443 ILE B CD1 1 ATOM 4927 N N . ASN B 1 305 ? 6.836 -34.546 15.428 1.00 36.36 ? 444 ASN B N 1 ATOM 4928 C CA . ASN B 1 305 ? 5.754 -34.790 16.370 1.00 36.31 ? 444 ASN B CA 1 ATOM 4929 C C . ASN B 1 305 ? 4.699 -33.688 16.395 1.00 37.80 ? 444 ASN B C 1 ATOM 4930 O O . ASN B 1 305 ? 5.021 -32.501 16.458 1.00 41.75 ? 444 ASN B O 1 ATOM 4931 C CB . ASN B 1 305 ? 6.320 -35.020 17.774 1.00 34.38 ? 444 ASN B CB 1 ATOM 4932 C CG . ASN B 1 305 ? 5.240 -35.107 18.834 1.00 40.13 ? 444 ASN B CG 1 ATOM 4933 O OD1 . ASN B 1 305 ? 4.913 -34.114 19.483 1.00 36.09 ? 444 ASN B OD1 1 ATOM 4934 N ND2 . ASN B 1 305 ? 4.681 -36.298 19.016 1.00 39.41 ? 444 ASN B ND2 1 ATOM 4935 N N . CYS B 1 306 ? 3.437 -34.100 16.342 1.00 35.23 ? 445 CYS B N 1 ATOM 4936 C CA . CYS B 1 306 ? 2.317 -33.177 16.445 1.00 32.98 ? 445 CYS B CA 1 ATOM 4937 C C . CYS B 1 306 ? 1.258 -33.725 17.390 1.00 37.28 ? 445 CYS B C 1 ATOM 4938 O O . CYS B 1 306 ? 0.620 -34.737 17.103 1.00 42.24 ? 445 CYS B O 1 ATOM 4939 C CB . CYS B 1 306 ? 1.701 -32.908 15.069 1.00 31.90 ? 445 CYS B CB 1 ATOM 4940 S SG . CYS B 1 306 ? 2.660 -31.788 14.027 1.00 49.26 ? 445 CYS B SG 1 ATOM 4941 N N . VAL B 1 307 ? 1.083 -33.055 18.523 1.00 33.14 ? 446 VAL B N 1 ATOM 4942 C CA . VAL B 1 307 ? 0.030 -33.410 19.462 1.00 36.61 ? 446 VAL B CA 1 ATOM 4943 C C . VAL B 1 307 ? -1.096 -32.392 19.347 1.00 33.91 ? 446 VAL B C 1 ATOM 4944 O O . VAL B 1 307 ? -0.883 -31.195 19.530 1.00 38.27 ? 446 VAL B O 1 ATOM 4945 C CB . VAL B 1 307 ? 0.541 -33.433 20.913 1.00 33.17 ? 446 VAL B CB 1 ATOM 4946 C CG1 . VAL B 1 307 ? -0.561 -33.900 21.852 1.00 40.57 ? 446 VAL B CG1 1 ATOM 4947 C CG2 . VAL B 1 307 ? 1.767 -34.328 21.032 1.00 37.21 ? 446 VAL B CG2 1 ATOM 4948 N N . SER B 1 308 ? -2.294 -32.870 19.038 1.00 32.78 ? 447 SER B N 1 ATOM 4949 C CA . SER B 1 308 ? -3.424 -31.975 18.837 1.00 41.86 ? 447 SER B CA 1 ATOM 4950 C C . SER B 1 308 ? -4.683 -32.469 19.542 1.00 45.79 ? 447 SER B C 1 ATOM 4951 O O . SER B 1 308 ? -4.802 -33.650 19.871 1.00 41.28 ? 447 SER B O 1 ATOM 4952 C CB . SER B 1 308 ? -3.685 -31.777 17.341 1.00 50.89 ? 447 SER B CB 1 ATOM 4953 O OG . SER B 1 308 ? -3.618 -33.006 16.641 1.00 64.07 ? 447 SER B OG 1 ATOM 4954 N N . ASN B 1 309 ? -5.611 -31.551 19.787 1.00 45.24 ? 448 ASN B N 1 ATOM 4955 C CA . ASN B 1 309 ? -6.904 -31.904 20.353 1.00 43.08 ? 448 ASN B CA 1 ATOM 4956 C C . ASN B 1 309 ? -7.892 -32.274 19.257 1.00 42.87 ? 448 ASN B C 1 ATOM 4957 O O . ASN B 1 309 ? -8.118 -31.493 18.333 1.00 37.40 ? 448 ASN B O 1 ATOM 4958 C CB . ASN B 1 309 ? -7.476 -30.741 21.166 1.00 49.96 ? 448 ASN B CB 1 ATOM 4959 C CG . ASN B 1 309 ? -6.773 -30.547 22.496 1.00 60.35 ? 448 ASN B CG 1 ATOM 4960 O OD1 . ASN B 1 309 ? -6.043 -31.423 22.966 1.00 49.37 ? 448 ASN B OD1 1 ATOM 4961 N ND2 . ASN B 1 309 ? -7.006 -29.397 23.120 1.00 85.77 ? 448 ASN B ND2 1 ATOM 4962 N N . ILE B 1 310 ? -8.472 -33.466 19.352 1.00 48.31 ? 449 ILE B N 1 ATOM 4963 C CA . ILE B 1 310 ? -9.586 -33.818 18.483 1.00 43.56 ? 449 ILE B CA 1 ATOM 4964 C C . ILE B 1 310 ? -10.834 -33.154 19.046 1.00 53.11 ? 449 ILE B C 1 ATOM 4965 O O . ILE B 1 310 ? -11.367 -33.581 20.072 1.00 53.79 ? 449 ILE B O 1 ATOM 4966 C CB . ILE B 1 310 ? -9.800 -35.339 18.397 1.00 45.66 ? 449 ILE B CB 1 ATOM 4967 C CG1 . ILE B 1 310 ? -8.532 -36.028 17.891 1.00 48.97 ? 449 ILE B CG1 1 ATOM 4968 C CG2 . ILE B 1 310 ? -10.977 -35.657 17.481 1.00 38.11 ? 449 ILE B CG2 1 ATOM 4969 C CD1 . ILE B 1 310 ? -8.597 -37.542 17.947 1.00 43.17 ? 449 ILE B CD1 1 ATOM 4970 N N . THR B 1 311 ? -11.286 -32.097 18.379 1.00 43.70 ? 450 THR B N 1 ATOM 4971 C CA . THR B 1 311 ? -12.392 -31.291 18.882 1.00 41.30 ? 450 THR B CA 1 ATOM 4972 C C . THR B 1 311 ? -13.659 -31.488 18.057 1.00 49.39 ? 450 THR B C 1 ATOM 4973 O O . THR B 1 311 ? -14.730 -30.992 18.417 1.00 40.72 ? 450 THR B O 1 ATOM 4974 C CB . THR B 1 311 ? -12.024 -29.797 18.897 1.00 39.29 ? 450 THR B CB 1 ATOM 4975 O OG1 . THR B 1 311 ? -11.744 -29.357 17.562 1.00 42.19 ? 450 THR B OG1 1 ATOM 4976 C CG2 . THR B 1 311 ? -10.799 -29.558 19.768 1.00 32.96 ? 450 THR B CG2 1 ATOM 4977 N N . GLY B 1 312 ? -13.534 -32.208 16.948 1.00 46.12 ? 451 GLY B N 1 ATOM 4978 C CA . GLY B 1 312 ? -14.662 -32.449 16.071 1.00 38.65 ? 451 GLY B CA 1 ATOM 4979 C C . GLY B 1 312 ? -14.480 -33.654 15.172 1.00 45.55 ? 451 GLY B C 1 ATOM 4980 O O . GLY B 1 312 ? -13.362 -34.126 14.967 1.00 43.66 ? 451 GLY B O 1 ATOM 4981 N N . ILE B 1 313 ? -15.591 -34.155 14.638 1.00 51.71 ? 452 ILE B N 1 ATOM 4982 C CA . ILE B 1 313 ? -15.578 -35.303 13.738 1.00 48.06 ? 452 ILE B CA 1 ATOM 4983 C C . ILE B 1 313 ? -16.448 -35.030 12.511 1.00 49.33 ? 452 ILE B C 1 ATOM 4984 O O . ILE B 1 313 ? -17.536 -34.465 12.627 1.00 50.71 ? 452 ILE B O 1 ATOM 4985 C CB . ILE B 1 313 ? -16.096 -36.582 14.438 1.00 48.86 ? 452 ILE B CB 1 ATOM 4986 C CG1 . ILE B 1 313 ? -15.377 -36.808 15.771 1.00 50.60 ? 452 ILE B CG1 1 ATOM 4987 C CG2 . ILE B 1 313 ? -15.933 -37.795 13.535 1.00 45.53 ? 452 ILE B CG2 1 ATOM 4988 C CD1 . ILE B 1 313 ? -15.856 -38.033 16.527 1.00 55.40 ? 452 ILE B CD1 1 ATOM 4989 N N . LEU B 1 314 ? -15.964 -35.428 11.338 1.00 48.26 ? 453 LEU B N 1 ATOM 4990 C CA . LEU B 1 314 ? -16.741 -35.313 10.107 1.00 53.39 ? 453 LEU B CA 1 ATOM 4991 C C . LEU B 1 314 ? -17.267 -36.681 9.684 1.00 57.31 ? 453 LEU B C 1 ATOM 4992 O O . LEU B 1 314 ? -16.494 -37.617 9.479 1.00 53.63 ? 453 LEU B O 1 ATOM 4993 C CB . LEU B 1 314 ? -15.892 -34.708 8.988 1.00 49.87 ? 453 LEU B CB 1 ATOM 4994 C CG . LEU B 1 314 ? -15.337 -33.305 9.241 1.00 61.83 ? 453 LEU B CG 1 ATOM 4995 C CD1 . LEU B 1 314 ? -14.440 -32.868 8.094 1.00 64.23 ? 453 LEU B CD1 1 ATOM 4996 C CD2 . LEU B 1 314 ? -16.470 -32.313 9.449 1.00 63.30 ? 453 LEU B CD2 1 ATOM 4997 N N . LEU B 1 315 ? -18.584 -36.795 9.552 1.00 53.97 ? 454 LEU B N 1 ATOM 4998 C CA . LEU B 1 315 ? -19.204 -38.077 9.235 1.00 54.37 ? 454 LEU B CA 1 ATOM 4999 C C . LEU B 1 315 ? -20.072 -38.022 7.984 1.00 64.95 ? 454 LEU B C 1 ATOM 5000 O O . LEU B 1 315 ? -20.585 -36.967 7.612 1.00 69.48 ? 454 LEU B O 1 ATOM 5001 C CB . LEU B 1 315 ? -20.033 -38.578 10.420 1.00 55.52 ? 454 LEU B CB 1 ATOM 5002 C CG . LEU B 1 315 ? -19.263 -38.907 11.700 1.00 66.08 ? 454 LEU B CG 1 ATOM 5003 C CD1 . LEU B 1 315 ? -20.216 -39.367 12.793 1.00 66.81 ? 454 LEU B CD1 1 ATOM 5004 C CD2 . LEU B 1 315 ? -18.200 -39.960 11.429 1.00 63.14 ? 454 LEU B CD2 1 ATOM 5005 N N . THR B 1 316 ? -20.226 -39.174 7.340 1.00 67.53 ? 455 THR B N 1 ATOM 5006 C CA . THR B 1 316 ? -21.089 -39.305 6.174 1.00 75.53 ? 455 THR B CA 1 ATOM 5007 C C . THR B 1 316 ? -21.968 -40.544 6.310 1.00 83.99 ? 455 THR B C 1 ATOM 5008 O O . THR B 1 316 ? -21.468 -41.669 6.371 1.00 87.01 ? 455 THR B O 1 ATOM 5009 C CB . THR B 1 316 ? -20.276 -39.395 4.869 1.00 74.10 ? 455 THR B CB 1 ATOM 5010 O OG1 . THR B 1 316 ? -19.228 -40.360 5.023 1.00 79.68 ? 455 THR B OG1 1 ATOM 5011 C CG2 . THR B 1 316 ? -19.666 -38.046 4.529 1.00 68.94 ? 455 THR B CG2 1 ATOM 5012 N N . ARG B 1 317 ? -23.277 -40.331 6.360 1.00 86.50 ? 456 ARG B N 1 ATOM 5013 C CA . ARG B 1 317 ? -24.225 -41.424 6.534 1.00 86.35 ? 456 ARG B CA 1 ATOM 5014 C C . ARG B 1 317 ? -24.466 -42.156 5.218 1.00 93.78 ? 456 ARG B C 1 ATOM 5015 O O . ARG B 1 317 ? -24.419 -41.555 4.145 1.00 95.45 ? 456 ARG B O 1 ATOM 5016 C CB . ARG B 1 317 ? -25.544 -40.895 7.101 1.00 80.99 ? 456 ARG B CB 1 ATOM 5017 C CG . ARG B 1 317 ? -26.505 -41.974 7.568 1.00 79.93 ? 456 ARG B CG 1 ATOM 5018 C CD . ARG B 1 317 ? -27.712 -41.365 8.256 1.00 85.66 ? 456 ARG B CD 1 ATOM 5019 N NE . ARG B 1 317 ? -28.415 -40.426 7.389 1.00 88.03 ? 456 ARG B NE 1 ATOM 5020 C CZ . ARG B 1 317 ? -29.422 -40.760 6.589 1.00 91.53 ? 456 ARG B CZ 1 ATOM 5021 N NH1 . ARG B 1 317 ? -29.850 -42.015 6.545 1.00 93.65 ? 456 ARG B NH1 1 ATOM 5022 N NH2 . ARG B 1 317 ? -30.003 -39.838 5.832 1.00 93.75 ? 456 ARG B NH2 1 ATOM 5023 N N . ASP B 1 318 ? -24.721 -43.457 5.307 1.00 97.67 ? 457 ASP B N 1 ATOM 5024 C CA . ASP B 1 318 ? -24.955 -44.276 4.124 1.00 95.70 ? 457 ASP B CA 1 ATOM 5025 C C . ASP B 1 318 ? -26.416 -44.226 3.695 1.00 98.81 ? 457 ASP B C 1 ATOM 5026 O O . ASP B 1 318 ? -27.304 -43.970 4.508 1.00 98.59 ? 457 ASP B O 1 ATOM 5027 C CB . ASP B 1 318 ? -24.552 -45.725 4.394 1.00 90.31 ? 457 ASP B CB 1 ATOM 5028 C CG . ASP B 1 318 ? -23.122 -45.854 4.874 1.00 108.14 ? 457 ASP B CG 1 ATOM 5029 O OD1 . ASP B 1 318 ? -22.550 -44.839 5.327 1.00 109.51 ? 457 ASP B OD1 1 ATOM 5030 O OD2 . ASP B 1 318 ? -22.573 -46.974 4.810 1.00 111.77 ? 457 ASP B OD2 1 ATOM 5031 N N . GLY B 1 319 ? -26.655 -44.473 2.411 1.00 103.22 ? 458 GLY B N 1 ATOM 5032 C CA . GLY B 1 319 ? -28.006 -44.538 1.884 1.00 107.32 ? 458 GLY B CA 1 ATOM 5033 C C . GLY B 1 319 ? -28.532 -45.960 1.904 1.00 110.89 ? 458 GLY B C 1 ATOM 5034 O O . GLY B 1 319 ? -27.783 -46.902 2.170 1.00 109.00 ? 458 GLY B O 1 ATOM 5035 N N . GLY B 1 320 ? -29.822 -46.118 1.627 1.00 120.09 ? 459 GLY B N 1 ATOM 5036 C CA . GLY B 1 320 ? -30.449 -47.427 1.633 1.00 127.54 ? 459 GLY B CA 1 ATOM 5037 C C . GLY B 1 320 ? -30.569 -48.000 3.032 1.00 128.29 ? 459 GLY B C 1 ATOM 5038 O O . GLY B 1 320 ? -30.760 -49.204 3.207 1.00 129.06 ? 459 GLY B O 1 ATOM 5039 N N . ALA B 1 321 ? -30.459 -47.130 4.030 1.00 129.22 ? 460 ALA B N 1 ATOM 5040 C CA . ALA B 1 321 ? -30.528 -47.545 5.426 1.00 129.16 ? 460 ALA B CA 1 ATOM 5041 C C . ALA B 1 321 ? -31.968 -47.581 5.929 1.00 132.45 ? 460 ALA B C 1 ATOM 5042 O O . ALA B 1 321 ? -32.212 -47.687 7.130 1.00 132.05 ? 460 ALA B O 1 ATOM 5043 C CB . ALA B 1 321 ? -29.683 -46.625 6.296 1.00 118.69 ? 460 ALA B CB 1 ATOM 5044 N N . ASN B 1 322 ? -32.919 -47.486 5.006 1.00 135.37 ? 461 ASN B N 1 ATOM 5045 C CA . ASN B 1 322 ? -34.330 -47.560 5.362 1.00 142.75 ? 461 ASN B CA 1 ATOM 5046 C C . ASN B 1 322 ? -34.764 -48.992 5.659 1.00 149.04 ? 461 ASN B C 1 ATOM 5047 O O . ASN B 1 322 ? -33.993 -49.933 5.464 1.00 150.20 ? 461 ASN B O 1 ATOM 5048 C CB . ASN B 1 322 ? -35.201 -46.950 4.262 1.00 148.51 ? 461 ASN B CB 1 ATOM 5049 C CG . ASN B 1 322 ? -35.064 -45.441 4.181 1.00 145.76 ? 461 ASN B CG 1 ATOM 5050 O OD1 . ASN B 1 322 ? -34.820 -44.774 5.186 1.00 142.10 ? 461 ASN B OD1 1 ATOM 5051 N ND2 . ASN B 1 322 ? -35.223 -44.896 2.981 1.00 148.17 ? 461 ASN B ND2 1 ATOM 5052 N N . ASN B 1 323 ? -36.005 -49.139 6.120 1.00 152.71 ? 462 ASN B N 1 ATOM 5053 C CA . ASN B 1 323 ? -36.573 -50.425 6.541 1.00 158.47 ? 462 ASN B CA 1 ATOM 5054 C C . ASN B 1 323 ? -35.642 -51.326 7.360 1.00 156.16 ? 462 ASN B C 1 ATOM 5055 O O . ASN B 1 323 ? -35.516 -52.520 7.088 1.00 162.56 ? 462 ASN B O 1 ATOM 5056 C CB . ASN B 1 323 ? -37.202 -51.188 5.360 1.00 164.00 ? 462 ASN B CB 1 ATOM 5057 C CG . ASN B 1 323 ? -36.214 -51.476 4.246 1.00 164.27 ? 462 ASN B CG 1 ATOM 5058 O OD1 . ASN B 1 323 ? -35.542 -52.507 4.246 1.00 163.89 ? 462 ASN B OD1 1 ATOM 5059 N ND2 . ASN B 1 323 ? -36.127 -50.565 3.283 1.00 165.52 ? 462 ASN B ND2 1 ATOM 5060 N N . THR B 1 324 ? -34.999 -50.738 8.363 1.00 144.71 ? 463 THR B N 1 ATOM 5061 C CA . THR B 1 324 ? -34.171 -51.486 9.305 1.00 137.08 ? 463 THR B CA 1 ATOM 5062 C C . THR B 1 324 ? -33.984 -50.683 10.587 1.00 127.99 ? 463 THR B C 1 ATOM 5063 O O . THR B 1 324 ? -34.526 -49.587 10.725 1.00 122.49 ? 463 THR B O 1 ATOM 5064 C CB . THR B 1 324 ? -32.789 -51.833 8.716 1.00 129.96 ? 463 THR B CB 1 ATOM 5065 O OG1 . THR B 1 324 ? -32.083 -52.689 9.621 1.00 126.93 ? 463 THR B OG1 1 ATOM 5066 C CG2 . THR B 1 324 ? -31.974 -50.572 8.480 1.00 119.82 ? 463 THR B CG2 1 ATOM 5067 N N . SER B 1 325 ? -33.221 -51.234 11.526 1.00 129.97 ? 464 SER B N 1 ATOM 5068 C CA . SER B 1 325 ? -32.938 -50.542 12.778 1.00 130.48 ? 464 SER B CA 1 ATOM 5069 C C . SER B 1 325 ? -31.472 -50.134 12.847 1.00 127.90 ? 464 SER B C 1 ATOM 5070 O O . SER B 1 325 ? -30.956 -49.813 13.918 1.00 130.57 ? 464 SER B O 1 ATOM 5071 C CB . SER B 1 325 ? -33.294 -51.429 13.973 1.00 133.25 ? 464 SER B CB 1 ATOM 5072 O OG . SER B 1 325 ? -33.026 -50.767 15.197 1.00 129.45 ? 464 SER B OG 1 ATOM 5073 N N . ASN B 1 326 ? -30.805 -50.146 11.697 1.00 124.80 ? 465 ASN B N 1 ATOM 5074 C CA . ASN B 1 326 ? -29.379 -49.841 11.630 1.00 120.02 ? 465 ASN B CA 1 ATOM 5075 C C . ASN B 1 326 ? -29.069 -48.566 10.848 1.00 114.10 ? 465 ASN B C 1 ATOM 5076 O O . ASN B 1 326 ? -29.659 -48.307 9.799 1.00 118.23 ? 465 ASN B O 1 ATOM 5077 C CB . ASN B 1 326 ? -28.612 -51.018 11.022 1.00 126.22 ? 465 ASN B CB 1 ATOM 5078 C CG . ASN B 1 326 ? -28.686 -52.270 11.877 1.00 133.02 ? 465 ASN B CG 1 ATOM 5079 O OD1 . ASN B 1 326 ? -29.434 -52.330 12.852 1.00 137.31 ? 465 ASN B OD1 1 ATOM 5080 N ND2 . ASN B 1 326 ? -27.909 -53.283 11.510 1.00 135.35 ? 465 ASN B ND2 1 ATOM 5081 N N . GLU B 1 327 ? -28.137 -47.773 11.368 1.00 111.73 ? 466 GLU B N 1 ATOM 5082 C CA . GLU B 1 327 ? -27.660 -46.581 10.676 1.00 103.94 ? 466 GLU B CA 1 ATOM 5083 C C . GLU B 1 327 ? -26.136 -46.562 10.637 1.00 98.77 ? 466 GLU B C 1 ATOM 5084 O O . GLU B 1 327 ? -25.480 -46.426 11.670 1.00 84.75 ? 466 GLU B O 1 ATOM 5085 C CB . GLU B 1 327 ? -28.184 -45.308 11.346 1.00 97.39 ? 466 GLU B CB 1 ATOM 5086 C CG . GLU B 1 327 ? -29.653 -45.009 11.079 1.00 102.23 ? 466 GLU B CG 1 ATOM 5087 C CD . GLU B 1 327 ? -29.903 -44.441 9.692 1.00 104.91 ? 466 GLU B CD 1 ATOM 5088 O OE1 . GLU B 1 327 ? -28.940 -44.317 8.907 1.00 90.34 ? 466 GLU B OE1 1 ATOM 5089 O OE2 . GLU B 1 327 ? -31.070 -44.112 9.387 1.00 110.67 ? 466 GLU B OE2 1 ATOM 5090 N N . THR B 1 328 ? -25.578 -46.700 9.439 1.00 100.41 ? 467 THR B N 1 ATOM 5091 C CA . THR B 1 328 ? -24.131 -46.771 9.273 1.00 99.48 ? 467 THR B CA 1 ATOM 5092 C C . THR B 1 328 ? -23.501 -45.402 9.018 1.00 95.66 ? 467 THR B C 1 ATOM 5093 O O . THR B 1 328 ? -23.873 -44.696 8.081 1.00 79.80 ? 467 THR B O 1 ATOM 5094 C CB . THR B 1 328 ? -23.740 -47.742 8.143 1.00 108.04 ? 467 THR B CB 1 ATOM 5095 O OG1 . THR B 1 328 ? -24.573 -47.505 7.002 1.00 115.01 ? 467 THR B OG1 1 ATOM 5096 C CG2 . THR B 1 328 ? -23.924 -49.182 8.595 1.00 114.89 ? 467 THR B CG2 1 ATOM 5097 N N . PHE B 1 329 ? -22.544 -45.037 9.863 1.00 92.14 ? 468 PHE B N 1 ATOM 5098 C CA . PHE B 1 329 ? -21.845 -43.765 9.736 1.00 82.65 ? 468 PHE B CA 1 ATOM 5099 C C . PHE B 1 329 ? -20.367 -43.986 9.439 1.00 83.00 ? 468 PHE B C 1 ATOM 5100 O O . PHE B 1 329 ? -19.716 -44.821 10.066 1.00 86.56 ? 468 PHE B O 1 ATOM 5101 C CB . PHE B 1 329 ? -22.004 -42.933 11.010 1.00 71.11 ? 468 PHE B CB 1 ATOM 5102 C CG . PHE B 1 329 ? -23.410 -42.466 11.260 1.00 75.91 ? 468 PHE B CG 1 ATOM 5103 C CD1 . PHE B 1 329 ? -24.343 -43.311 11.837 1.00 80.39 ? 468 PHE B CD1 1 ATOM 5104 C CD2 . PHE B 1 329 ? -23.797 -41.180 10.923 1.00 79.02 ? 468 PHE B CD2 1 ATOM 5105 C CE1 . PHE B 1 329 ? -25.637 -42.885 12.070 1.00 79.48 ? 468 PHE B CE1 1 ATOM 5106 C CE2 . PHE B 1 329 ? -25.090 -40.747 11.153 1.00 82.99 ? 468 PHE B CE2 1 ATOM 5107 C CZ . PHE B 1 329 ? -26.011 -41.602 11.728 1.00 80.23 ? 468 PHE B CZ 1 ATOM 5108 N N . ARG B 1 330 ? -19.843 -43.234 8.477 1.00 74.24 ? 469 ARG B N 1 ATOM 5109 C CA . ARG B 1 330 ? -18.443 -43.352 8.091 1.00 70.64 ? 469 ARG B CA 1 ATOM 5110 C C . ARG B 1 330 ? -17.746 -41.996 8.116 1.00 69.64 ? 469 ARG B C 1 ATOM 5111 O O . ARG B 1 330 ? -18.338 -40.982 7.744 1.00 71.35 ? 469 ARG B O 1 ATOM 5112 C CB . ARG B 1 330 ? -18.323 -43.984 6.701 1.00 85.32 ? 469 ARG B CB 1 ATOM 5113 C CG . ARG B 1 330 ? -18.909 -45.384 6.603 1.00 96.61 ? 469 ARG B CG 1 ATOM 5114 C CD . ARG B 1 330 ? -18.415 -46.102 5.360 1.00 114.35 ? 469 ARG B CD 1 ATOM 5115 N NE . ARG B 1 330 ? -19.003 -45.569 4.135 1.00 127.63 ? 469 ARG B NE 1 ATOM 5116 C CZ . ARG B 1 330 ? -19.963 -46.178 3.445 1.00 137.20 ? 469 ARG B CZ 1 ATOM 5117 N NH1 . ARG B 1 330 ? -20.439 -47.344 3.859 1.00 138.99 ? 469 ARG B NH1 1 ATOM 5118 N NH2 . ARG B 1 330 ? -20.444 -45.623 2.340 1.00 141.58 ? 469 ARG B NH2 1 ATOM 5119 N N . PRO B 1 331 ? -16.480 -41.974 8.561 1.00 67.57 ? 470 PRO B N 1 ATOM 5120 C CA . PRO B 1 331 ? -15.706 -40.730 8.615 1.00 64.99 ? 470 PRO B CA 1 ATOM 5121 C C . PRO B 1 331 ? -15.289 -40.272 7.223 1.00 67.38 ? 470 PRO B C 1 ATOM 5122 O O . PRO B 1 331 ? -15.202 -41.089 6.307 1.00 74.62 ? 470 PRO B O 1 ATOM 5123 C CB . PRO B 1 331 ? -14.472 -41.129 9.429 1.00 52.41 ? 470 PRO B CB 1 ATOM 5124 C CG . PRO B 1 331 ? -14.310 -42.583 9.161 1.00 55.65 ? 470 PRO B CG 1 ATOM 5125 C CD . PRO B 1 331 ? -15.706 -43.130 9.042 1.00 64.30 ? 470 PRO B CD 1 ATOM 5126 N N . GLY B 1 332 ? -15.035 -38.977 7.069 1.00 72.37 ? 471 GLY B N 1 ATOM 5127 C CA . GLY B 1 332 ? -14.624 -38.434 5.789 1.00 86.59 ? 471 GLY B CA 1 ATOM 5128 C C . GLY B 1 332 ? -15.741 -37.688 5.086 1.00 99.08 ? 471 GLY B C 1 ATOM 5129 O O . GLY B 1 332 ? -16.715 -37.273 5.715 1.00 100.77 ? 471 GLY B O 1 ATOM 5130 N N . GLY B 1 333 ? -15.595 -37.514 3.775 1.00 106.63 ? 472 GLY B N 1 ATOM 5131 C CA . GLY B 1 333 ? -16.561 -36.773 2.985 1.00 107.33 ? 472 GLY B CA 1 ATOM 5132 C C . GLY B 1 333 ? -16.560 -35.299 3.339 1.00 105.82 ? 472 GLY B C 1 ATOM 5133 O O . GLY B 1 333 ? -17.477 -34.559 2.984 1.00 104.00 ? 472 GLY B O 1 ATOM 5134 N N . GLY B 1 334 ? -15.516 -34.873 4.040 1.00 105.92 ? 473 GLY B N 1 ATOM 5135 C CA . GLY B 1 334 ? -15.429 -33.514 4.530 1.00 103.65 ? 473 GLY B CA 1 ATOM 5136 C C . GLY B 1 334 ? -14.759 -32.558 3.565 1.00 102.84 ? 473 GLY B C 1 ATOM 5137 O O . GLY B 1 334 ? -13.533 -32.537 3.446 1.00 105.05 ? 473 GLY B O 1 ATOM 5138 N N . ASN B 1 335 ? -15.592 -31.796 2.840 1.00 98.06 ? 474 ASN B N 1 ATOM 5139 C CA . ASN B 1 335 ? -15.098 -30.673 2.060 1.00 76.78 ? 474 ASN B CA 1 ATOM 5140 C C . ASN B 1 335 ? -14.358 -29.749 3.015 1.00 66.19 ? 474 ASN B C 1 ATOM 5141 O O . ASN B 1 335 ? -14.838 -29.485 4.116 1.00 61.93 ? 474 ASN B O 1 ATOM 5142 C CB . ASN B 1 335 ? -16.271 -29.939 1.407 1.00 76.69 ? 474 ASN B CB 1 ATOM 5143 C CG . ASN B 1 335 ? -15.830 -28.916 0.376 1.00 88.60 ? 474 ASN B CG 1 ATOM 5144 O OD1 . ASN B 1 335 ? -14.728 -28.374 0.445 1.00 93.56 ? 474 ASN B OD1 1 ATOM 5145 N ND2 . ASN B 1 335 ? -16.701 -28.642 -0.588 1.00 95.58 ? 474 ASN B ND2 1 ATOM 5146 N N . ILE B 1 336 ? -13.188 -29.268 2.604 1.00 57.73 ? 475 ILE B N 1 ATOM 5147 C CA . ILE B 1 336 ? -12.346 -28.447 3.475 1.00 48.30 ? 475 ILE B CA 1 ATOM 5148 C C . ILE B 1 336 ? -13.085 -27.211 3.987 1.00 51.82 ? 475 ILE B C 1 ATOM 5149 O O . ILE B 1 336 ? -12.797 -26.705 5.074 1.00 50.77 ? 475 ILE B O 1 ATOM 5150 C CB . ILE B 1 336 ? -11.040 -28.036 2.766 1.00 53.21 ? 475 ILE B CB 1 ATOM 5151 C CG1 . ILE B 1 336 ? -10.337 -29.274 2.211 1.00 67.09 ? 475 ILE B CG1 1 ATOM 5152 C CG2 . ILE B 1 336 ? -10.111 -27.300 3.721 1.00 36.54 ? 475 ILE B CG2 1 ATOM 5153 C CD1 . ILE B 1 336 ? -9.969 -30.292 3.273 1.00 73.71 ? 475 ILE B CD1 1 ATOM 5154 N N . LYS B 1 337 ? -14.055 -26.742 3.206 1.00 50.56 ? 476 LYS B N 1 ATOM 5155 C CA . LYS B 1 337 ? -14.895 -25.624 3.613 1.00 39.60 ? 476 LYS B CA 1 ATOM 5156 C C . LYS B 1 337 ? -15.647 -25.947 4.903 1.00 43.16 ? 476 LYS B C 1 ATOM 5157 O O . LYS B 1 337 ? -15.875 -25.067 5.730 1.00 41.91 ? 476 LYS B O 1 ATOM 5158 C CB . LYS B 1 337 ? -15.879 -25.262 2.500 1.00 46.50 ? 476 LYS B CB 1 ATOM 5159 C CG . LYS B 1 337 ? -15.213 -24.939 1.169 1.00 62.79 ? 476 LYS B CG 1 ATOM 5160 C CD . LYS B 1 337 ? -16.231 -24.747 0.050 1.00 74.91 ? 476 LYS B CD 1 ATOM 5161 C CE . LYS B 1 337 ? -16.699 -23.301 -0.058 1.00 81.65 ? 476 LYS B CE 1 ATOM 5162 N NZ . LYS B 1 337 ? -17.489 -22.855 1.121 1.00 83.35 ? 476 LYS B NZ 1 ATOM 5163 N N . ASP B 1 338 ? -16.021 -27.215 5.071 1.00 42.17 ? 477 ASP B N 1 ATOM 5164 C CA . ASP B 1 338 ? -16.732 -27.659 6.268 1.00 52.31 ? 477 ASP B CA 1 ATOM 5165 C C . ASP B 1 338 ? -15.908 -27.457 7.537 1.00 50.05 ? 477 ASP B C 1 ATOM 5166 O O . ASP B 1 338 ? -16.464 -27.242 8.614 1.00 46.74 ? 477 ASP B O 1 ATOM 5167 C CB . ASP B 1 338 ? -17.148 -29.127 6.147 1.00 50.88 ? 477 ASP B CB 1 ATOM 5168 C CG . ASP B 1 338 ? -18.138 -29.363 5.025 1.00 57.49 ? 477 ASP B CG 1 ATOM 5169 O OD1 . ASP B 1 338 ? -18.899 -28.428 4.699 1.00 62.25 ? 477 ASP B OD1 1 ATOM 5170 O OD2 . ASP B 1 338 ? -18.157 -30.482 4.472 1.00 61.32 ? 477 ASP B OD2 1 ATOM 5171 N N . ASN B 1 339 ? -14.586 -27.532 7.405 1.00 43.36 ? 478 ASN B N 1 ATOM 5172 C CA . ASN B 1 339 ? -13.698 -27.289 8.538 1.00 45.91 ? 478 ASN B CA 1 ATOM 5173 C C . ASN B 1 339 ? -13.878 -25.886 9.097 1.00 43.71 ? 478 ASN B C 1 ATOM 5174 O O . ASN B 1 339 ? -13.916 -25.694 10.312 1.00 40.57 ? 478 ASN B O 1 ATOM 5175 C CB . ASN B 1 339 ? -12.235 -27.508 8.149 1.00 43.53 ? 478 ASN B CB 1 ATOM 5176 C CG . ASN B 1 339 ? -11.919 -28.961 7.860 1.00 51.42 ? 478 ASN B CG 1 ATOM 5177 O OD1 . ASN B 1 339 ? -12.742 -29.691 7.307 1.00 55.03 ? 478 ASN B OD1 1 ATOM 5178 N ND2 . ASN B 1 339 ? -10.722 -29.391 8.241 1.00 37.04 ? 478 ASN B ND2 1 ATOM 5179 N N . TRP B 1 340 ? -13.998 -24.907 8.208 1.00 41.12 ? 479 TRP B N 1 ATOM 5180 C CA . TRP B 1 340 ? -14.187 -23.528 8.640 1.00 47.41 ? 479 TRP B CA 1 ATOM 5181 C C . TRP B 1 340 ? -15.613 -23.307 9.136 1.00 41.37 ? 479 TRP B C 1 ATOM 5182 O O . TRP B 1 340 ? -15.854 -22.447 9.981 1.00 43.09 ? 479 TRP B O 1 ATOM 5183 C CB . TRP B 1 340 ? -13.845 -22.538 7.519 1.00 38.47 ? 479 TRP B CB 1 ATOM 5184 C CG . TRP B 1 340 ? -12.679 -22.934 6.637 1.00 38.52 ? 479 TRP B CG 1 ATOM 5185 C CD1 . TRP B 1 340 ? -12.602 -22.786 5.281 1.00 34.52 ? 479 TRP B CD1 1 ATOM 5186 C CD2 . TRP B 1 340 ? -11.437 -23.539 7.043 1.00 31.72 ? 479 TRP B CD2 1 ATOM 5187 N NE1 . TRP B 1 340 ? -11.397 -23.254 4.819 1.00 39.59 ? 479 TRP B NE1 1 ATOM 5188 C CE2 . TRP B 1 340 ? -10.664 -23.722 5.878 1.00 41.48 ? 479 TRP B CE2 1 ATOM 5189 C CE3 . TRP B 1 340 ? -10.903 -23.941 8.272 1.00 39.16 ? 479 TRP B CE3 1 ATOM 5190 C CZ2 . TRP B 1 340 ? -9.392 -24.290 5.906 1.00 44.37 ? 479 TRP B CZ2 1 ATOM 5191 C CZ3 . TRP B 1 340 ? -9.641 -24.506 8.298 1.00 39.67 ? 479 TRP B CZ3 1 ATOM 5192 C CH2 . TRP B 1 340 ? -8.900 -24.673 7.123 1.00 44.48 ? 479 TRP B CH2 1 ATOM 5193 N N . ARG B 1 341 ? -16.551 -24.094 8.613 1.00 43.32 ? 480 ARG B N 1 ATOM 5194 C CA . ARG B 1 341 ? -17.945 -24.014 9.039 1.00 49.88 ? 480 ARG B CA 1 ATOM 5195 C C . ARG B 1 341 ? -18.095 -24.400 10.507 1.00 48.64 ? 480 ARG B C 1 ATOM 5196 O O . ARG B 1 341 ? -18.935 -23.851 11.220 1.00 45.39 ? 480 ARG B O 1 ATOM 5197 C CB . ARG B 1 341 ? -18.832 -24.922 8.184 1.00 51.45 ? 480 ARG B CB 1 ATOM 5198 C CG . ARG B 1 341 ? -18.855 -24.577 6.708 1.00 51.64 ? 480 ARG B CG 1 ATOM 5199 C CD . ARG B 1 341 ? -19.909 -25.389 5.971 1.00 54.37 ? 480 ARG B CD 1 ATOM 5200 N NE . ARG B 1 341 ? -19.762 -25.289 4.522 1.00 59.01 ? 480 ARG B NE 1 ATOM 5201 C CZ . ARG B 1 341 ? -20.210 -24.271 3.794 1.00 67.89 ? 480 ARG B CZ 1 ATOM 5202 N NH1 . ARG B 1 341 ? -20.837 -23.259 4.379 1.00 64.26 ? 480 ARG B NH1 1 ATOM 5203 N NH2 . ARG B 1 341 ? -20.031 -24.265 2.480 1.00 76.46 ? 480 ARG B NH2 1 ATOM 5204 N N . SER B 1 342 ? -17.271 -25.343 10.952 1.00 41.68 ? 481 SER B N 1 ATOM 5205 C CA . SER B 1 342 ? -17.346 -25.848 12.319 1.00 46.86 ? 481 SER B CA 1 ATOM 5206 C C . SER B 1 342 ? -16.874 -24.819 13.345 1.00 44.21 ? 481 SER B C 1 ATOM 5207 O O . SER B 1 342 ? -16.995 -25.033 14.549 1.00 45.62 ? 481 SER B O 1 ATOM 5208 C CB . SER B 1 342 ? -16.530 -27.135 12.458 1.00 47.17 ? 481 SER B CB 1 ATOM 5209 O OG . SER B 1 342 ? -15.146 -26.880 12.285 1.00 45.99 ? 481 SER B OG 1 ATOM 5210 N N . GLU B 1 343 ? -16.331 -23.707 12.860 1.00 45.44 ? 482 GLU B N 1 ATOM 5211 C CA . GLU B 1 343 ? -15.857 -22.639 13.733 1.00 43.88 ? 482 GLU B CA 1 ATOM 5212 C C . GLU B 1 343 ? -16.622 -21.342 13.492 1.00 39.24 ? 482 GLU B C 1 ATOM 5213 O O . GLU B 1 343 ? -16.727 -20.497 14.382 1.00 37.77 ? 482 GLU B O 1 ATOM 5214 C CB . GLU B 1 343 ? -14.355 -22.408 13.530 1.00 38.78 ? 482 GLU B CB 1 ATOM 5215 C CG . GLU B 1 343 ? -13.477 -23.546 14.029 1.00 43.96 ? 482 GLU B CG 1 ATOM 5216 C CD . GLU B 1 343 ? -13.525 -23.703 15.538 1.00 44.74 ? 482 GLU B CD 1 ATOM 5217 O OE1 . GLU B 1 343 ? -13.681 -22.680 16.237 1.00 53.26 ? 482 GLU B OE1 1 ATOM 5218 O OE2 . GLU B 1 343 ? -13.410 -24.848 16.025 1.00 48.82 ? 482 GLU B OE2 1 ATOM 5219 N N . LEU B 1 344 ? -17.164 -21.195 12.286 1.00 35.57 ? 483 LEU B N 1 ATOM 5220 C CA . LEU B 1 344 ? -17.868 -19.976 11.896 1.00 42.74 ? 483 LEU B CA 1 ATOM 5221 C C . LEU B 1 344 ? -19.385 -20.123 11.994 1.00 41.83 ? 483 LEU B C 1 ATOM 5222 O O . LEU B 1 344 ? -20.128 -19.223 11.603 1.00 48.51 ? 483 LEU B O 1 ATOM 5223 C CB . LEU B 1 344 ? -17.486 -19.583 10.468 1.00 37.85 ? 483 LEU B CB 1 ATOM 5224 C CG . LEU B 1 344 ? -16.039 -19.146 10.233 1.00 40.02 ? 483 LEU B CG 1 ATOM 5225 C CD1 . LEU B 1 344 ? -15.718 -19.149 8.747 1.00 45.04 ? 483 LEU B CD1 1 ATOM 5226 C CD2 . LEU B 1 344 ? -15.802 -17.768 10.829 1.00 36.26 ? 483 LEU B CD2 1 ATOM 5227 N N . TYR B 1 345 ? -19.837 -21.257 12.519 1.00 44.16 ? 484 TYR B N 1 ATOM 5228 C CA . TYR B 1 345 ? -21.262 -21.573 12.577 1.00 52.27 ? 484 TYR B CA 1 ATOM 5229 C C . TYR B 1 345 ? -22.075 -20.560 13.385 1.00 53.31 ? 484 TYR B C 1 ATOM 5230 O O . TYR B 1 345 ? -23.270 -20.382 13.145 1.00 48.07 ? 484 TYR B O 1 ATOM 5231 C CB . TYR B 1 345 ? -21.471 -22.977 13.154 1.00 53.26 ? 484 TYR B CB 1 ATOM 5232 C CG . TYR B 1 345 ? -21.131 -23.089 14.623 1.00 59.75 ? 484 TYR B CG 1 ATOM 5233 C CD1 . TYR B 1 345 ? -19.824 -23.299 15.040 1.00 65.18 ? 484 TYR B CD1 1 ATOM 5234 C CD2 . TYR B 1 345 ? -22.119 -22.983 15.595 1.00 55.00 ? 484 TYR B CD2 1 ATOM 5235 C CE1 . TYR B 1 345 ? -19.509 -23.399 16.383 1.00 62.54 ? 484 TYR B CE1 1 ATOM 5236 C CE2 . TYR B 1 345 ? -21.814 -23.081 16.937 1.00 59.51 ? 484 TYR B CE2 1 ATOM 5237 C CZ . TYR B 1 345 ? -20.508 -23.289 17.326 1.00 58.72 ? 484 TYR B CZ 1 ATOM 5238 O OH . TYR B 1 345 ? -20.200 -23.389 18.663 1.00 62.66 ? 484 TYR B OH 1 ATOM 5239 N N . LYS B 1 346 ? -21.429 -19.900 14.341 1.00 43.03 ? 485 LYS B N 1 ATOM 5240 C CA . LYS B 1 346 ? -22.129 -18.989 15.241 1.00 45.65 ? 485 LYS B CA 1 ATOM 5241 C C . LYS B 1 346 ? -22.074 -17.535 14.780 1.00 50.37 ? 485 LYS B C 1 ATOM 5242 O O . LYS B 1 346 ? -22.601 -16.648 15.451 1.00 54.40 ? 485 LYS B O 1 ATOM 5243 C CB . LYS B 1 346 ? -21.569 -19.102 16.661 1.00 48.25 ? 485 LYS B CB 1 ATOM 5244 C CG . LYS B 1 346 ? -20.104 -18.713 16.778 1.00 53.70 ? 485 LYS B CG 1 ATOM 5245 C CD . LYS B 1 346 ? -19.659 -18.647 18.230 1.00 50.52 ? 485 LYS B CD 1 ATOM 5246 C CE . LYS B 1 346 ? -19.821 -19.990 18.924 1.00 61.31 ? 485 LYS B CE 1 ATOM 5247 N NZ . LYS B 1 346 ? -19.444 -19.917 20.363 1.00 61.20 ? 485 LYS B NZ 1 ATOM 5248 N N . TYR B 1 347 ? -21.439 -17.291 13.638 1.00 44.00 ? 486 TYR B N 1 ATOM 5249 C CA . TYR B 1 347 ? -21.275 -15.927 13.147 1.00 42.06 ? 486 TYR B CA 1 ATOM 5250 C C . TYR B 1 347 ? -22.023 -15.668 11.843 1.00 43.98 ? 486 TYR B C 1 ATOM 5251 O O . TYR B 1 347 ? -22.276 -16.589 11.066 1.00 53.28 ? 486 TYR B O 1 ATOM 5252 C CB . TYR B 1 347 ? -19.794 -15.602 12.948 1.00 37.36 ? 486 TYR B CB 1 ATOM 5253 C CG . TYR B 1 347 ? -18.930 -15.791 14.175 1.00 35.31 ? 486 TYR B CG 1 ATOM 5254 C CD1 . TYR B 1 347 ? -18.964 -14.879 15.223 1.00 37.30 ? 486 TYR B CD1 1 ATOM 5255 C CD2 . TYR B 1 347 ? -18.063 -16.872 14.275 1.00 33.77 ? 486 TYR B CD2 1 ATOM 5256 C CE1 . TYR B 1 347 ? -18.167 -15.048 16.344 1.00 42.47 ? 486 TYR B CE1 1 ATOM 5257 C CE2 . TYR B 1 347 ? -17.264 -17.048 15.387 1.00 38.79 ? 486 TYR B CE2 1 ATOM 5258 C CZ . TYR B 1 347 ? -17.318 -16.135 16.419 1.00 39.44 ? 486 TYR B CZ 1 ATOM 5259 O OH . TYR B 1 347 ? -16.520 -16.311 17.526 1.00 43.96 ? 486 TYR B OH 1 ATOM 5260 N N . LYS B 1 348 ? -22.372 -14.404 11.617 1.00 43.91 ? 487 LYS B N 1 ATOM 5261 C CA . LYS B 1 348 ? -22.900 -13.955 10.332 1.00 50.07 ? 487 LYS B CA 1 ATOM 5262 C C . LYS B 1 348 ? -22.773 -12.437 10.208 1.00 54.45 ? 487 LYS B C 1 ATOM 5263 O O . LYS B 1 348 ? -22.769 -11.720 11.210 1.00 53.06 ? 487 LYS B O 1 ATOM 5264 C CB . LYS B 1 348 ? -24.355 -14.389 10.138 1.00 53.13 ? 487 LYS B CB 1 ATOM 5265 C CG . LYS B 1 348 ? -25.367 -13.544 10.882 1.00 64.04 ? 487 LYS B CG 1 ATOM 5266 C CD . LYS B 1 348 ? -26.770 -13.827 10.381 1.00 63.37 ? 487 LYS B CD 1 ATOM 5267 C CE . LYS B 1 348 ? -27.763 -12.838 10.951 1.00 57.83 ? 487 LYS B CE 1 ATOM 5268 N NZ . LYS B 1 348 ? -29.137 -13.073 10.426 1.00 62.56 ? 487 LYS B NZ 1 ATOM 5269 N N . VAL B 1 349 ? -22.665 -11.951 8.976 1.00 49.85 ? 488 VAL B N 1 ATOM 5270 C CA . VAL B 1 349 ? -22.427 -10.533 8.728 1.00 54.66 ? 488 VAL B CA 1 ATOM 5271 C C . VAL B 1 349 ? -23.715 -9.778 8.419 1.00 64.33 ? 488 VAL B C 1 ATOM 5272 O O . VAL B 1 349 ? -24.503 -10.198 7.571 1.00 72.06 ? 488 VAL B O 1 ATOM 5273 C CB . VAL B 1 349 ? -21.433 -10.331 7.564 1.00 57.02 ? 488 VAL B CB 1 ATOM 5274 C CG1 . VAL B 1 349 ? -21.227 -8.849 7.284 1.00 52.55 ? 488 VAL B CG1 1 ATOM 5275 C CG2 . VAL B 1 349 ? -20.109 -11.011 7.873 1.00 54.12 ? 488 VAL B CG2 1 ATOM 5276 N N . VAL B 1 350 ? -23.925 -8.663 9.113 1.00 61.80 ? 489 VAL B N 1 ATOM 5277 C CA . VAL B 1 350 ? -25.057 -7.788 8.831 1.00 64.40 ? 489 VAL B CA 1 ATOM 5278 C C . VAL B 1 350 ? -24.597 -6.353 8.595 1.00 63.54 ? 489 VAL B C 1 ATOM 5279 O O . VAL B 1 350 ? -23.568 -5.927 9.122 1.00 56.84 ? 489 VAL B O 1 ATOM 5280 C CB . VAL B 1 350 ? -26.107 -7.806 9.965 1.00 64.71 ? 489 VAL B CB 1 ATOM 5281 C CG1 . VAL B 1 350 ? -26.701 -9.200 10.122 1.00 61.03 ? 489 VAL B CG1 1 ATOM 5282 C CG2 . VAL B 1 350 ? -25.498 -7.322 11.271 1.00 58.93 ? 489 VAL B CG2 1 ATOM 5283 N N . GLN B 1 351 ? -25.359 -5.614 7.793 1.00 70.88 ? 490 GLN B N 1 ATOM 5284 C CA . GLN B 1 351 ? -25.052 -4.214 7.527 1.00 72.06 ? 490 GLN B CA 1 ATOM 5285 C C . GLN B 1 351 ? -25.932 -3.300 8.369 1.00 70.54 ? 490 GLN B C 1 ATOM 5286 O O . GLN B 1 351 ? -27.157 -3.344 8.272 1.00 79.66 ? 490 GLN B O 1 ATOM 5287 C CB . GLN B 1 351 ? -25.235 -3.892 6.043 1.00 84.36 ? 490 GLN B CB 1 ATOM 5288 C CG . GLN B 1 351 ? -24.872 -2.460 5.675 1.00 90.09 ? 490 GLN B CG 1 ATOM 5289 C CD . GLN B 1 351 ? -24.989 -2.187 4.188 1.00 90.84 ? 490 GLN B CD 1 ATOM 5290 O OE1 . GLN B 1 351 ? -25.639 -2.935 3.457 1.00 89.35 ? 490 GLN B OE1 1 ATOM 5291 N NE2 . GLN B 1 351 ? -24.355 -1.113 3.732 1.00 92.05 ? 490 GLN B NE2 1 ATOM 5292 N N . ILE B 1 352 ? -25.302 -2.474 9.197 1.00 73.39 ? 491 ILE B N 1 ATOM 5293 C CA . ILE B 1 352 ? -26.034 -1.539 10.044 1.00 84.46 ? 491 ILE B CA 1 ATOM 5294 C C . ILE B 1 352 ? -26.472 -0.304 9.259 1.00 88.27 ? 491 ILE B C 1 ATOM 5295 O O . ILE B 1 352 ? -25.664 0.343 8.592 1.00 86.03 ? 491 ILE B O 1 ATOM 5296 C CB . ILE B 1 352 ? -25.214 -1.132 11.286 1.00 86.79 ? 491 ILE B CB 1 ATOM 5297 C CG1 . ILE B 1 352 ? -23.789 -0.744 10.887 1.00 84.69 ? 491 ILE B CG1 1 ATOM 5298 C CG2 . ILE B 1 352 ? -25.176 -2.270 12.292 1.00 64.50 ? 491 ILE B CG2 1 ATOM 5299 C CD1 . ILE B 1 352 ? -22.891 -0.415 12.060 1.00 83.34 ? 491 ILE B CD1 1 ATOM 5300 N N . GLU B 1 353 ? -27.760 0.014 9.338 1.00 95.19 ? 492 GLU B N 1 ATOM 5301 C CA . GLU B 1 353 ? -28.320 1.120 8.570 1.00 105.87 ? 492 GLU B CA 1 ATOM 5302 C C . GLU B 1 353 ? -29.449 1.814 9.327 1.00 104.06 ? 492 GLU B C 1 ATOM 5303 O O . GLU B 1 353 ? -29.893 1.338 10.372 1.00 97.84 ? 492 GLU B O 1 ATOM 5304 C CB . GLU B 1 353 ? -28.826 0.618 7.216 1.00 115.36 ? 492 GLU B CB 1 ATOM 5305 C CG . GLU B 1 353 ? -29.956 -0.396 7.316 1.00 119.68 ? 492 GLU B CG 1 ATOM 5306 C CD . GLU B 1 353 ? -29.775 -1.570 6.374 1.00 119.22 ? 492 GLU B CD 1 ATOM 5307 O OE1 . GLU B 1 353 ? -28.626 -1.833 5.963 1.00 117.22 ? 492 GLU B OE1 1 ATOM 5308 O OE2 . GLU B 1 353 ? -30.783 -2.233 6.046 1.00 118.62 ? 492 GLU B OE2 1 HETATM 5309 C C1 . NAG C 2 . ? 5.013 -6.799 23.704 1.00 46.94 ? 501 NAG A C1 1 HETATM 5310 C C2 . NAG C 2 . ? 5.297 -8.007 22.817 1.00 69.43 ? 501 NAG A C2 1 HETATM 5311 C C3 . NAG C 2 . ? 5.634 -7.586 21.391 1.00 68.22 ? 501 NAG A C3 1 HETATM 5312 C C4 . NAG C 2 . ? 4.641 -6.555 20.870 1.00 63.51 ? 501 NAG A C4 1 HETATM 5313 C C5 . NAG C 2 . ? 4.463 -5.421 21.872 1.00 63.54 ? 501 NAG A C5 1 HETATM 5314 C C6 . NAG C 2 . ? 3.426 -4.415 21.390 1.00 68.07 ? 501 NAG A C6 1 HETATM 5315 C C7 . NAG C 2 . ? 6.175 -9.917 24.029 1.00 68.10 ? 501 NAG A C7 1 HETATM 5316 C C8 . NAG C 2 . ? 7.331 -10.477 24.805 1.00 57.05 ? 501 NAG A C8 1 HETATM 5317 N N2 . NAG C 2 . ? 6.391 -8.776 23.380 1.00 74.88 ? 501 NAG A N2 1 HETATM 5318 O O3 . NAG C 2 . ? 5.617 -8.719 20.553 1.00 66.67 ? 501 NAG A O3 1 HETATM 5319 O O4 . NAG C 2 . ? 5.110 -6.028 19.650 1.00 64.48 ? 501 NAG A O4 1 HETATM 5320 O O5 . NAG C 2 . ? 4.055 -5.944 23.116 1.00 57.35 ? 501 NAG A O5 1 HETATM 5321 O O6 . NAG C 2 . ? 3.246 -3.428 22.381 1.00 82.42 ? 501 NAG A O6 1 HETATM 5322 O O7 . NAG C 2 . ? 5.093 -10.500 24.014 1.00 69.80 ? 501 NAG A O7 1 HETATM 5323 C C1 . NAG D 2 . ? -5.525 2.811 30.023 1.00 96.66 ? 502 NAG A C1 1 HETATM 5324 C C2 . NAG D 2 . ? -5.709 1.290 30.135 1.00 107.59 ? 502 NAG A C2 1 HETATM 5325 C C3 . NAG D 2 . ? -7.142 0.784 30.375 1.00 110.54 ? 502 NAG A C3 1 HETATM 5326 C C4 . NAG D 2 . ? -8.088 1.811 30.988 1.00 111.85 ? 502 NAG A C4 1 HETATM 5327 C C5 . NAG D 2 . ? -7.832 3.165 30.349 1.00 108.85 ? 502 NAG A C5 1 HETATM 5328 C C6 . NAG D 2 . ? -8.821 4.222 30.825 1.00 107.53 ? 502 NAG A C6 1 HETATM 5329 C C7 . NAG D 2 . ? -4.059 0.065 28.808 1.00 105.15 ? 502 NAG A C7 1 HETATM 5330 C C8 . NAG D 2 . ? -3.501 -0.096 27.421 1.00 103.88 ? 502 NAG A C8 1 HETATM 5331 N N2 . NAG D 2 . ? -5.230 0.692 28.899 1.00 108.98 ? 502 NAG A N2 1 HETATM 5332 O O3 . NAG D 2 . ? -7.114 -0.356 31.209 1.00 110.38 ? 502 NAG A O3 1 HETATM 5333 O O4 . NAG D 2 . ? -9.426 1.410 30.771 1.00 116.87 ? 502 NAG A O4 1 HETATM 5334 O O5 . NAG D 2 . ? -6.523 3.546 30.702 1.00 104.06 ? 502 NAG A O5 1 HETATM 5335 O O6 . NAG D 2 . ? -8.516 4.564 32.156 1.00 104.11 ? 502 NAG A O6 1 HETATM 5336 O O7 . NAG D 2 . ? -3.446 -0.363 29.787 1.00 102.36 ? 502 NAG A O7 1 HETATM 5337 C C1 . NAG E 2 . ? 13.629 -9.984 51.274 1.00 33.56 ? 503 NAG A C1 1 HETATM 5338 C C2 . NAG E 2 . ? 15.038 -10.327 51.756 1.00 33.55 ? 503 NAG A C2 1 HETATM 5339 C C3 . NAG E 2 . ? 15.019 -10.769 53.213 1.00 41.49 ? 503 NAG A C3 1 HETATM 5340 C C4 . NAG E 2 . ? 14.318 -9.709 54.050 1.00 39.65 ? 503 NAG A C4 1 HETATM 5341 C C5 . NAG E 2 . ? 12.920 -9.472 53.488 1.00 39.11 ? 503 NAG A C5 1 HETATM 5342 C C6 . NAG E 2 . ? 12.151 -8.442 54.313 1.00 40.87 ? 503 NAG A C6 1 HETATM 5343 C C7 . NAG E 2 . ? 16.762 -11.167 50.272 1.00 32.60 ? 503 NAG A C7 1 HETATM 5344 C C8 . NAG E 2 . ? 17.247 -12.297 49.413 1.00 39.70 ? 503 NAG A C8 1 HETATM 5345 N N2 . NAG E 2 . ? 15.625 -11.366 50.933 1.00 31.49 ? 503 NAG A N2 1 HETATM 5346 O O3 . NAG E 2 . ? 16.333 -10.977 53.680 1.00 34.79 ? 503 NAG A O3 1 HETATM 5347 O O4 . NAG E 2 . ? 14.244 -10.133 55.392 1.00 36.77 ? 503 NAG A O4 1 HETATM 5348 O O5 . NAG E 2 . ? 13.003 -9.051 52.139 1.00 40.77 ? 503 NAG A O5 1 HETATM 5349 O O6 . NAG E 2 . ? 12.859 -7.223 54.333 1.00 49.56 ? 503 NAG A O6 1 HETATM 5350 O O7 . NAG E 2 . ? 17.402 -10.120 50.341 1.00 33.17 ? 503 NAG A O7 1 HETATM 5351 C C1 . NAG F 2 . ? 14.051 -13.257 16.883 1.00 52.15 ? 504 NAG A C1 1 HETATM 5352 C C2 . NAG F 2 . ? 14.350 -12.441 15.630 1.00 63.10 ? 504 NAG A C2 1 HETATM 5353 C C3 . NAG F 2 . ? 14.214 -13.300 14.380 1.00 66.06 ? 504 NAG A C3 1 HETATM 5354 C C4 . NAG F 2 . ? 15.035 -14.574 14.521 1.00 62.52 ? 504 NAG A C4 1 HETATM 5355 C C5 . NAG F 2 . ? 14.698 -15.281 15.829 1.00 57.37 ? 504 NAG A C5 1 HETATM 5356 C C6 . NAG F 2 . ? 15.577 -16.510 16.026 1.00 52.09 ? 504 NAG A C6 1 HETATM 5357 C C7 . NAG F 2 . ? 13.970 -10.056 15.447 1.00 54.65 ? 504 NAG A C7 1 HETATM 5358 C C8 . NAG F 2 . ? 12.980 -8.929 15.437 1.00 53.40 ? 504 NAG A C8 1 HETATM 5359 N N2 . NAG F 2 . ? 13.476 -11.287 15.551 1.00 54.96 ? 504 NAG A N2 1 HETATM 5360 O O3 . NAG F 2 . ? 14.649 -12.571 13.254 1.00 66.86 ? 504 NAG A O3 1 HETATM 5361 O O4 . NAG F 2 . ? 14.759 -15.432 13.438 1.00 72.19 ? 504 NAG A O4 1 HETATM 5362 O O5 . NAG F 2 . ? 14.878 -14.403 16.922 1.00 58.93 ? 504 NAG A O5 1 HETATM 5363 O O6 . NAG F 2 . ? 16.912 -16.103 16.227 1.00 58.83 ? 504 NAG A O6 1 HETATM 5364 O O7 . NAG F 2 . ? 15.176 -9.828 15.360 1.00 55.01 ? 504 NAG A O7 1 HETATM 5365 C C1 . NAG G 2 . ? -2.377 -13.542 37.933 1.00 44.55 ? 505 NAG A C1 1 HETATM 5366 C C2 . NAG G 2 . ? -3.822 -13.369 38.400 1.00 56.67 ? 505 NAG A C2 1 HETATM 5367 C C3 . NAG G 2 . ? -4.734 -14.425 37.789 1.00 64.12 ? 505 NAG A C3 1 HETATM 5368 C C4 . NAG G 2 . ? -4.557 -14.470 36.280 1.00 59.55 ? 505 NAG A C4 1 HETATM 5369 C C5 . NAG G 2 . ? -3.084 -14.603 35.911 1.00 50.89 ? 505 NAG A C5 1 HETATM 5370 C C6 . NAG G 2 . ? -2.923 -14.527 34.396 1.00 50.58 ? 505 NAG A C6 1 HETATM 5371 C C7 . NAG G 2 . ? -4.273 -12.363 40.554 1.00 56.79 ? 505 NAG A C7 1 HETATM 5372 C C8 . NAG G 2 . ? -4.337 -12.539 42.043 1.00 61.48 ? 505 NAG A C8 1 HETATM 5373 N N2 . NAG G 2 . ? -3.904 -13.426 39.846 1.00 51.42 ? 505 NAG A N2 1 HETATM 5374 O O3 . NAG G 2 . ? -6.076 -14.121 38.092 1.00 70.73 ? 505 NAG A O3 1 HETATM 5375 O O4 . NAG G 2 . ? -5.279 -15.561 35.752 1.00 53.92 ? 505 NAG A O4 1 HETATM 5376 O O5 . NAG G 2 . ? -2.313 -13.583 36.519 1.00 50.52 ? 505 NAG A O5 1 HETATM 5377 O O6 . NAG G 2 . ? -1.557 -14.559 34.052 1.00 47.39 ? 505 NAG A O6 1 HETATM 5378 O O7 . NAG G 2 . ? -4.549 -11.280 40.039 1.00 59.60 ? 505 NAG A O7 1 HETATM 5379 C C1 . NAG H 2 . ? 11.135 -20.218 58.314 1.00 54.75 ? 506 NAG A C1 1 HETATM 5380 C C2 . NAG H 2 . ? 9.995 -19.841 59.255 1.00 57.30 ? 506 NAG A C2 1 HETATM 5381 C C3 . NAG H 2 . ? 10.334 -20.173 60.703 1.00 69.42 ? 506 NAG A C3 1 HETATM 5382 C C4 . NAG H 2 . ? 10.896 -21.583 60.831 1.00 74.84 ? 506 NAG A C4 1 HETATM 5383 C C5 . NAG H 2 . ? 12.007 -21.813 59.814 1.00 75.45 ? 506 NAG A C5 1 HETATM 5384 C C6 . NAG H 2 . ? 12.540 -23.240 59.887 1.00 73.79 ? 506 NAG A C6 1 HETATM 5385 C C7 . NAG H 2 . ? 8.550 -17.994 58.625 1.00 56.84 ? 506 NAG A C7 1 HETATM 5386 C C8 . NAG H 2 . ? 8.281 -16.523 58.740 1.00 40.49 ? 506 NAG A C8 1 HETATM 5387 N N2 . NAG H 2 . ? 9.702 -18.426 59.131 1.00 54.93 ? 506 NAG A N2 1 HETATM 5388 O O3 . NAG H 2 . ? 9.176 -20.054 61.499 1.00 70.50 ? 506 NAG A O3 1 HETATM 5389 O O4 . NAG H 2 . ? 11.403 -21.766 62.134 1.00 76.91 ? 506 NAG A O4 1 HETATM 5390 O O5 . NAG H 2 . ? 11.522 -21.561 58.513 1.00 72.58 ? 506 NAG A O5 1 HETATM 5391 O O6 . NAG H 2 . ? 11.510 -24.146 59.559 1.00 78.58 ? 506 NAG A O6 1 HETATM 5392 O O7 . NAG H 2 . ? 7.733 -18.740 58.086 1.00 64.51 ? 506 NAG A O7 1 HETATM 5393 C C1 . NAG I 2 . ? 0.138 -23.963 51.706 1.00 99.99 ? 507 NAG A C1 1 HETATM 5394 C C2 . NAG I 2 . ? 0.269 -24.911 52.895 1.00 113.57 ? 507 NAG A C2 1 HETATM 5395 C C3 . NAG I 2 . ? -1.074 -25.515 53.304 1.00 120.60 ? 507 NAG A C3 1 HETATM 5396 C C4 . NAG I 2 . ? -2.265 -24.569 53.122 1.00 120.78 ? 507 NAG A C4 1 HETATM 5397 C C5 . NAG I 2 . ? -2.164 -23.719 51.864 1.00 118.45 ? 507 NAG A C5 1 HETATM 5398 C C6 . NAG I 2 . ? -3.293 -22.698 51.809 1.00 118.40 ? 507 NAG A C6 1 HETATM 5399 C C7 . NAG I 2 . ? 2.359 -26.201 53.157 1.00 117.42 ? 507 NAG A C7 1 HETATM 5400 C C8 . NAG I 2 . ? 2.715 -27.640 53.397 1.00 119.59 ? 507 NAG A C8 1 HETATM 5401 N N2 . NAG I 2 . ? 1.191 -25.984 52.546 1.00 116.50 ? 507 NAG A N2 1 HETATM 5402 O O3 . NAG I 2 . ? -0.993 -25.904 54.660 1.00 125.67 ? 507 NAG A O3 1 HETATM 5403 O O4 . NAG I 2 . ? -3.452 -25.325 53.025 1.00 121.59 ? 507 NAG A O4 1 HETATM 5404 O O5 . NAG I 2 . ? -0.926 -23.053 51.863 1.00 112.99 ? 507 NAG A O5 1 HETATM 5405 O O6 . NAG I 2 . ? -3.613 -22.431 50.461 1.00 118.06 ? 507 NAG A O6 1 HETATM 5406 O O7 . NAG I 2 . ? 3.126 -25.301 53.510 1.00 113.26 ? 507 NAG A O7 1 HETATM 5407 C C1 . NAG J 2 . ? -5.194 -22.182 22.332 1.00 48.48 ? 508 NAG A C1 1 HETATM 5408 C C2 . NAG J 2 . ? -6.643 -21.743 22.549 1.00 51.55 ? 508 NAG A C2 1 HETATM 5409 C C3 . NAG J 2 . ? -7.136 -20.794 21.453 1.00 51.84 ? 508 NAG A C3 1 HETATM 5410 C C4 . NAG J 2 . ? -6.095 -19.744 21.084 1.00 52.58 ? 508 NAG A C4 1 HETATM 5411 C C5 . NAG J 2 . ? -4.736 -20.393 20.868 1.00 56.94 ? 508 NAG A C5 1 HETATM 5412 C C6 . NAG J 2 . ? -3.638 -19.378 20.590 1.00 58.64 ? 508 NAG A C6 1 HETATM 5413 C C7 . NAG J 2 . ? -8.787 -22.938 22.430 1.00 80.74 ? 508 NAG A C7 1 HETATM 5414 C C8 . NAG J 2 . ? -9.650 -22.623 23.617 1.00 80.26 ? 508 NAG A C8 1 HETATM 5415 N N2 . NAG J 2 . ? -7.472 -22.934 22.638 1.00 67.35 ? 508 NAG A N2 1 HETATM 5416 O O3 . NAG J 2 . ? -8.300 -20.118 21.877 1.00 49.97 ? 508 NAG A O3 1 HETATM 5417 O O4 . NAG J 2 . ? -6.506 -19.077 19.911 1.00 47.16 ? 508 NAG A O4 1 HETATM 5418 O O5 . NAG J 2 . ? -4.374 -21.076 22.039 1.00 63.89 ? 508 NAG A O5 1 HETATM 5419 O O6 . NAG J 2 . ? -2.459 -20.077 20.259 1.00 54.09 ? 508 NAG A O6 1 HETATM 5420 O O7 . NAG J 2 . ? -9.297 -23.186 21.337 1.00 89.02 ? 508 NAG A O7 1 HETATM 5421 C C1 . NAG K 2 . ? 19.669 -31.354 42.763 1.00 55.71 ? 509 NAG A C1 1 HETATM 5422 C C2 . NAG K 2 . ? 21.017 -31.616 42.093 1.00 60.55 ? 509 NAG A C2 1 HETATM 5423 C C3 . NAG K 2 . ? 20.993 -32.897 41.270 1.00 64.41 ? 509 NAG A C3 1 HETATM 5424 C C4 . NAG K 2 . ? 20.453 -34.049 42.106 1.00 70.86 ? 509 NAG A C4 1 HETATM 5425 C C5 . NAG K 2 . ? 19.116 -33.670 42.732 1.00 69.42 ? 509 NAG A C5 1 HETATM 5426 C C6 . NAG K 2 . ? 18.609 -34.793 43.629 1.00 76.65 ? 509 NAG A C6 1 HETATM 5427 C C7 . NAG K 2 . ? 22.579 -29.905 41.383 1.00 73.14 ? 509 NAG A C7 1 HETATM 5428 C C8 . NAG K 2 . ? 22.938 -28.883 40.344 1.00 65.93 ? 509 NAG A C8 1 HETATM 5429 N N2 . NAG K 2 . ? 21.395 -30.498 41.249 1.00 69.30 ? 509 NAG A N2 1 HETATM 5430 O O3 . NAG K 2 . ? 22.297 -33.199 40.826 1.00 65.32 ? 509 NAG A O3 1 HETATM 5431 O O4 . NAG K 2 . ? 20.289 -35.190 41.293 1.00 75.00 ? 509 NAG A O4 1 HETATM 5432 O O5 . NAG K 2 . ? 19.238 -32.486 43.493 1.00 65.45 ? 509 NAG A O5 1 HETATM 5433 O O6 . NAG K 2 . ? 17.391 -34.405 44.223 1.00 83.02 ? 509 NAG A O6 1 HETATM 5434 O O7 . NAG K 2 . ? 23.357 -30.164 42.299 1.00 76.56 ? 509 NAG A O7 1 HETATM 5435 C C1 . NAG L 2 . ? 9.080 -34.978 40.955 1.00 134.10 ? 510 NAG A C1 1 HETATM 5436 C C2 . NAG L 2 . ? 9.716 -35.299 42.307 1.00 142.62 ? 510 NAG A C2 1 HETATM 5437 C C3 . NAG L 2 . ? 9.843 -36.803 42.507 1.00 142.62 ? 510 NAG A C3 1 HETATM 5438 C C4 . NAG L 2 . ? 8.489 -37.463 42.305 1.00 143.91 ? 510 NAG A C4 1 HETATM 5439 C C5 . NAG L 2 . ? 7.875 -37.043 40.973 1.00 144.81 ? 510 NAG A C5 1 HETATM 5440 C C6 . NAG L 2 . ? 6.461 -37.599 40.850 1.00 144.60 ? 510 NAG A C6 1 HETATM 5441 C C7 . NAG L 2 . ? 11.426 -34.199 43.635 1.00 153.89 ? 510 NAG A C7 1 HETATM 5442 C C8 . NAG L 2 . ? 10.364 -33.822 44.628 1.00 155.08 ? 510 NAG A C8 1 HETATM 5443 N N2 . NAG L 2 . ? 11.010 -34.659 42.455 1.00 149.43 ? 510 NAG A N2 1 HETATM 5444 O O3 . NAG L 2 . ? 10.308 -37.074 43.810 1.00 141.35 ? 510 NAG A O3 1 HETATM 5445 O O4 . NAG L 2 . ? 8.638 -38.864 42.338 1.00 143.88 ? 510 NAG A O4 1 HETATM 5446 O O5 . NAG L 2 . ? 7.832 -35.635 40.841 1.00 141.29 ? 510 NAG A O5 1 HETATM 5447 O O6 . NAG L 2 . ? 6.474 -38.751 40.038 1.00 142.55 ? 510 NAG A O6 1 HETATM 5448 O O7 . NAG L 2 . ? 12.616 -34.086 43.925 1.00 153.52 ? 510 NAG A O7 1 HETATM 5449 C C1 . NAG M 2 . ? 6.517 -9.596 50.288 1.00 65.62 ? 511 NAG A C1 1 HETATM 5450 C C2 . NAG M 2 . ? 6.857 -8.135 50.569 1.00 76.36 ? 511 NAG A C2 1 HETATM 5451 C C3 . NAG M 2 . ? 5.686 -7.393 51.217 1.00 83.30 ? 511 NAG A C3 1 HETATM 5452 C C4 . NAG M 2 . ? 4.355 -7.738 50.540 1.00 88.58 ? 511 NAG A C4 1 HETATM 5453 C C5 . NAG M 2 . ? 4.232 -9.248 50.349 1.00 79.75 ? 511 NAG A C5 1 HETATM 5454 C C6 . NAG M 2 . ? 2.878 -9.688 49.781 1.00 74.64 ? 511 NAG A C6 1 HETATM 5455 C C7 . NAG M 2 . ? 9.216 -7.586 50.928 1.00 77.14 ? 511 NAG A C7 1 HETATM 5456 C C8 . NAG M 2 . ? 9.195 -6.887 49.598 1.00 63.09 ? 511 NAG A C8 1 HETATM 5457 N N2 . NAG M 2 . ? 8.051 -8.048 51.398 1.00 78.59 ? 511 NAG A N2 1 HETATM 5458 O O3 . NAG M 2 . ? 5.929 -6.004 51.130 1.00 85.69 ? 511 NAG A O3 1 HETATM 5459 O O4 . NAG M 2 . ? 3.266 -7.283 51.314 1.00 93.82 ? 511 NAG A O4 1 HETATM 5460 O O5 . NAG M 2 . ? 5.312 -9.687 49.553 1.00 72.79 ? 511 NAG A O5 1 HETATM 5461 O O6 . NAG M 2 . ? 2.770 -9.465 48.387 1.00 72.47 ? 511 NAG A O6 1 HETATM 5462 O O7 . NAG M 2 . ? 10.278 -7.709 51.535 1.00 87.96 ? 511 NAG A O7 1 HETATM 5463 N N1 . EPE N 3 . ? 26.643 7.935 42.037 1.00 40.61 ? 512 EPE A N1 1 HETATM 5464 C C2 . EPE N 3 . ? 26.678 7.977 40.555 1.00 39.41 ? 512 EPE A C2 1 HETATM 5465 C C3 . EPE N 3 . ? 25.658 6.988 39.984 1.00 42.16 ? 512 EPE A C3 1 HETATM 5466 N N4 . EPE N 3 . ? 24.295 7.313 40.494 1.00 34.86 ? 512 EPE A N4 1 HETATM 5467 C C5 . EPE N 3 . ? 24.262 7.241 41.980 1.00 31.84 ? 512 EPE A C5 1 HETATM 5468 C C6 . EPE N 3 . ? 25.289 8.209 42.593 1.00 32.74 ? 512 EPE A C6 1 HETATM 5469 C C7 . EPE N 3 . ? 23.203 6.523 39.844 1.00 38.23 ? 512 EPE A C7 1 HETATM 5470 C C8 . EPE N 3 . ? 23.131 6.491 38.325 1.00 44.90 ? 512 EPE A C8 1 HETATM 5471 O O8 . EPE N 3 . ? 24.072 6.170 37.624 1.00 42.13 ? 512 EPE A O8 1 HETATM 5472 C C9 . EPE N 3 . ? 27.783 8.683 42.652 1.00 34.05 ? 512 EPE A C9 1 HETATM 5473 C C10 . EPE N 3 . ? 27.327 9.675 43.716 1.00 35.12 ? 512 EPE A C10 1 HETATM 5474 S S . EPE N 3 . ? 28.795 10.455 44.318 1.00 41.08 ? 512 EPE A S 1 HETATM 5475 O O1S . EPE N 3 . ? 29.595 11.447 43.366 1.00 35.67 ? 512 EPE A O1S 1 HETATM 5476 O O2S . EPE N 3 . ? 29.735 9.589 45.272 1.00 44.70 ? 512 EPE A O2S 1 HETATM 5477 O O3S . EPE N 3 . ? 28.264 11.519 45.421 1.00 33.29 ? 512 EPE A O3S 1 HETATM 5478 C C01 . 0KW O 4 . ? 25.080 -14.399 43.272 1.00 59.84 ? 513 0KW A C01 1 HETATM 5479 C C02 . 0KW O 4 . ? 24.398 -14.538 42.121 1.00 61.44 ? 513 0KW A C02 1 HETATM 5480 C C03 . 0KW O 4 . ? 25.055 -14.750 40.959 1.00 60.60 ? 513 0KW A C03 1 HETATM 5481 C C04 . 0KW O 4 . ? 26.395 -14.834 40.969 1.00 60.33 ? 513 0KW A C04 1 HETATM 5482 C C05 . 0KW O 4 . ? 27.073 -14.683 42.126 1.00 51.85 ? 513 0KW A C05 1 HETATM 5483 C C06 . 0KW O 4 . ? 26.409 -14.462 43.276 1.00 51.59 ? 513 0KW A C06 1 HETATM 5484 CL CL1 . 0KW O 4 . ? 24.284 -14.118 44.738 1.00 62.76 ? 513 0KW A CL1 1 HETATM 5485 N N08 . 0KW O 4 . ? 27.230 -15.060 39.815 1.00 61.85 ? 513 0KW A N08 1 HETATM 5486 C C09 . 0KW O 4 . ? 26.804 -14.835 38.480 1.00 63.62 ? 513 0KW A C09 1 HETATM 5487 C C10 . 0KW O 4 . ? 27.770 -15.091 37.331 1.00 62.55 ? 513 0KW A C10 1 HETATM 5488 N N11 . 0KW O 4 . ? 27.361 -14.839 35.965 1.00 72.54 ? 513 0KW A N11 1 HETATM 5489 O O12 . 0KW O 4 . ? 28.882 -15.475 37.571 1.00 60.93 ? 513 0KW A O12 1 HETATM 5490 O O13 . 0KW O 4 . ? 25.703 -14.461 38.253 1.00 49.16 ? 513 0KW A O13 1 HETATM 5491 C C14 . 0KW O 4 . ? 28.247 -15.085 34.877 1.00 82.16 ? 513 0KW A C14 1 HETATM 5492 C C15 . 0KW O 4 . ? 27.556 -15.808 33.759 1.00 85.93 ? 513 0KW A C15 1 HETATM 5493 C C16 . 0KW O 4 . ? 28.882 -13.842 34.303 1.00 91.42 ? 513 0KW A C16 1 HETATM 5494 C C17 . 0KW O 4 . ? 26.141 -16.170 33.929 1.00 88.24 ? 513 0KW A C17 1 HETATM 5495 C C18 . 0KW O 4 . ? 25.631 -16.780 32.667 1.00 87.31 ? 513 0KW A C18 1 HETATM 5496 C C19 . 0KW O 4 . ? 26.451 -17.832 32.086 1.00 90.21 ? 513 0KW A C19 1 HETATM 5497 C C20 . 0KW O 4 . ? 27.902 -17.620 32.216 1.00 89.13 ? 513 0KW A C20 1 HETATM 5498 N N21 . 0KW O 4 . ? 28.226 -17.073 33.536 1.00 86.19 ? 513 0KW A N21 1 HETATM 5499 N N22 . 0KW O 4 . ? 30.082 -13.878 33.742 1.00 102.38 ? 513 0KW A N22 1 HETATM 5500 C C23 . 0KW O 4 . ? 30.421 -12.655 33.232 1.00 108.85 ? 513 0KW A C23 1 HETATM 5501 C C24 . 0KW O 4 . ? 29.472 -11.625 33.350 1.00 107.38 ? 513 0KW A C24 1 HETATM 5502 S S25 . 0KW O 4 . ? 28.116 -12.316 34.153 1.00 159.94 ? 513 0KW A S25 1 HETATM 5503 C C26 . 0KW O 4 . ? 31.758 -12.473 32.570 1.00 111.23 ? 513 0KW A C26 1 HETATM 5504 C C27 . 0KW O 4 . ? 29.602 -10.192 32.850 1.00 103.55 ? 513 0KW A C27 1 HETATM 5505 C C28 . 0KW O 4 . ? 28.251 -9.449 32.891 1.00 102.74 ? 513 0KW A C28 1 HETATM 5506 O O29 . 0KW O 4 . ? 28.325 -8.166 32.372 1.00 103.14 ? 513 0KW A O29 1 HETATM 5507 H H1 . 0KW O 4 . ? 23.437 -14.483 42.126 1.00 73.73 ? 513 0KW A H1 1 HETATM 5508 H H2 . 0KW O 4 . ? 24.565 -14.860 40.135 1.00 72.73 ? 513 0KW A H2 1 HETATM 5509 H H3 . 0KW O 4 . ? 28.039 -14.738 42.129 1.00 62.22 ? 513 0KW A H3 1 HETATM 5510 H H4 . 0KW O 4 . ? 26.899 -14.362 44.109 1.00 61.91 ? 513 0KW A H4 1 HETATM 5511 H H5 . 0KW O 4 . ? 28.056 -15.342 39.947 1.00 74.21 ? 513 0KW A H5 1 HETATM 5512 H H6 . 0KW O 4 . ? 26.540 -14.573 35.803 1.00 87.05 ? 513 0KW A H6 1 HETATM 5513 H H7 . 0KW O 4 . ? 28.970 -15.663 35.199 1.00 98.59 ? 513 0KW A H7 1 HETATM 5514 H H8 . 0KW O 4 . ? 27.638 -15.270 32.947 1.00 103.12 ? 513 0KW A H8 1 HETATM 5515 H H9 . 0KW O 4 . ? 25.623 -15.393 34.150 1.00 105.89 ? 513 0KW A H9 1 HETATM 5516 H H10 . 0KW O 4 . ? 26.056 -16.811 34.648 1.00 105.89 ? 513 0KW A H10 1 HETATM 5517 H H12 . 0KW O 4 . ? 24.737 -17.157 32.854 1.00 104.77 ? 513 0KW A H12 1 HETATM 5518 H H11 . 0KW O 4 . ? 25.531 -16.075 32.002 1.00 104.77 ? 513 0KW A H11 1 HETATM 5519 H H13 . 0KW O 4 . ? 26.218 -17.938 31.131 1.00 108.25 ? 513 0KW A H13 1 HETATM 5520 H H14 . 0KW O 4 . ? 26.225 -18.668 32.546 1.00 108.25 ? 513 0KW A H14 1 HETATM 5521 H H16 . 0KW O 4 . ? 28.356 -18.469 32.109 1.00 106.95 ? 513 0KW A H16 1 HETATM 5522 H H15 . 0KW O 4 . ? 28.215 -17.009 31.510 1.00 106.95 ? 513 0KW A H15 1 HETATM 5523 H H17 . 0KW O 4 . ? 28.025 -17.884 33.957 1.00 103.43 ? 513 0KW A H17 1 HETATM 5524 H H20 . 0KW O 4 . ? 32.217 -13.333 32.521 1.00 133.47 ? 513 0KW A H20 1 HETATM 5525 H H19 . 0KW O 4 . ? 31.631 -12.122 31.669 1.00 133.47 ? 513 0KW A H19 1 HETATM 5526 H H21 . 0KW O 4 . ? 32.291 -11.852 33.086 1.00 133.47 ? 513 0KW A H21 1 HETATM 5527 H H22 . 0KW O 4 . ? 29.908 -10.214 31.921 1.00 124.26 ? 513 0KW A H22 1 HETATM 5528 H H23 . 0KW O 4 . ? 30.266 -9.707 33.398 1.00 124.26 ? 513 0KW A H23 1 HETATM 5529 H H25 . 0KW O 4 . ? 27.950 -9.398 33.815 1.00 123.28 ? 513 0KW A H25 1 HETATM 5530 H H24 . 0KW O 4 . ? 27.598 -9.960 32.385 1.00 123.28 ? 513 0KW A H24 1 HETATM 5531 H H26 . 0KW O 4 . ? 27.492 -7.855 32.221 1.00 123.77 ? 513 0KW A H26 1 HETATM 5532 C C1 . NAG P 2 . ? -31.501 -27.146 14.799 1.00 68.22 ? 501 NAG B C1 1 HETATM 5533 C C2 . NAG P 2 . ? -31.800 -28.307 13.847 1.00 79.55 ? 501 NAG B C2 1 HETATM 5534 C C3 . NAG P 2 . ? -32.695 -27.876 12.689 1.00 83.34 ? 501 NAG B C3 1 HETATM 5535 C C4 . NAG P 2 . ? -33.894 -27.077 13.182 1.00 84.01 ? 501 NAG B C4 1 HETATM 5536 C C5 . NAG P 2 . ? -33.439 -25.963 14.115 1.00 80.70 ? 501 NAG B C5 1 HETATM 5537 C C6 . NAG P 2 . ? -34.630 -25.194 14.673 1.00 77.86 ? 501 NAG B C6 1 HETATM 5538 C C7 . NAG P 2 . ? -30.105 -30.048 13.710 1.00 78.44 ? 501 NAG B C7 1 HETATM 5539 C C8 . NAG P 2 . ? -29.148 -30.729 12.777 1.00 67.06 ? 501 NAG B C8 1 HETATM 5540 N N2 . NAG P 2 . ? -30.571 -28.866 13.316 1.00 83.04 ? 501 NAG B N2 1 HETATM 5541 O O3 . NAG P 2 . ? -33.145 -29.014 11.987 1.00 86.74 ? 501 NAG B O3 1 HETATM 5542 O O4 . NAG P 2 . ? -34.572 -26.518 12.079 1.00 85.87 ? 501 NAG B O4 1 HETATM 5543 O O5 . NAG P 2 . ? -32.701 -26.509 15.188 1.00 74.82 ? 501 NAG B O5 1 HETATM 5544 O O6 . NAG P 2 . ? -34.822 -25.547 16.024 1.00 83.53 ? 501 NAG B O6 1 HETATM 5545 O O7 . NAG P 2 . ? -30.422 -30.574 14.776 1.00 83.68 ? 501 NAG B O7 1 HETATM 5546 C C1 . NAG Q 2 . ? -25.554 -15.057 26.292 1.00 84.77 ? 502 NAG B C1 1 HETATM 5547 C C2 . NAG Q 2 . ? -25.781 -15.230 27.802 1.00 104.30 ? 502 NAG B C2 1 HETATM 5548 C C3 . NAG Q 2 . ? -24.562 -15.007 28.714 1.00 110.52 ? 502 NAG B C3 1 HETATM 5549 C C4 . NAG Q 2 . ? -23.212 -15.168 28.025 1.00 105.61 ? 502 NAG B C4 1 HETATM 5550 C C5 . NAG Q 2 . ? -23.281 -14.542 26.642 1.00 104.30 ? 502 NAG B C5 1 HETATM 5551 C C6 . NAG Q 2 . ? -21.932 -14.557 25.935 1.00 113.36 ? 502 NAG B C6 1 HETATM 5552 C C7 . NAG Q 2 . ? -28.069 -14.660 28.456 1.00 110.83 ? 502 NAG B C7 1 HETATM 5553 C C8 . NAG Q 2 . ? -29.101 -13.568 28.417 1.00 107.06 ? 502 NAG B C8 1 HETATM 5554 N N2 . NAG Q 2 . ? -26.814 -14.290 28.206 1.00 111.47 ? 502 NAG B N2 1 HETATM 5555 O O3 . NAG Q 2 . ? -24.616 -15.894 29.811 1.00 115.45 ? 502 NAG B O3 1 HETATM 5556 O O4 . NAG Q 2 . ? -22.208 -14.541 28.799 1.00 102.70 ? 502 NAG B O4 1 HETATM 5557 O O5 . NAG Q 2 . ? -24.215 -15.289 25.900 1.00 96.14 ? 502 NAG B O5 1 HETATM 5558 O O6 . NAG Q 2 . ? -21.637 -15.878 25.546 1.00 121.32 ? 502 NAG B O6 1 HETATM 5559 O O7 . NAG Q 2 . ? -28.391 -15.823 28.704 1.00 111.18 ? 502 NAG B O7 1 HETATM 5560 C C1 . NAG R 2 . ? -2.327 -28.348 17.181 1.00 33.09 ? 503 NAG B C1 1 HETATM 5561 C C2 . NAG R 2 . ? -1.337 -28.743 16.085 1.00 32.67 ? 503 NAG B C2 1 HETATM 5562 C C3 . NAG R 2 . ? -0.019 -29.200 16.693 1.00 37.82 ? 503 NAG B C3 1 HETATM 5563 C C4 . NAG R 2 . ? 0.512 -28.102 17.603 1.00 37.36 ? 503 NAG B C4 1 HETATM 5564 C C5 . NAG R 2 . ? -0.547 -27.722 18.635 1.00 31.49 ? 503 NAG B C5 1 HETATM 5565 C C6 . NAG R 2 . ? -0.050 -26.598 19.542 1.00 34.23 ? 503 NAG B C6 1 HETATM 5566 C C7 . NAG R 2 . ? -2.010 -29.554 13.906 1.00 46.80 ? 503 NAG B C7 1 HETATM 5567 C C8 . NAG R 2 . ? -2.410 -30.731 13.065 1.00 43.70 ? 503 NAG B C8 1 HETATM 5568 N N2 . NAG R 2 . ? -1.885 -29.767 15.215 1.00 44.56 ? 503 NAG B N2 1 HETATM 5569 O O3 . NAG R 2 . ? 0.916 -29.479 15.676 1.00 36.21 ? 503 NAG B O3 1 HETATM 5570 O O4 . NAG R 2 . ? 1.689 -28.539 18.247 1.00 38.39 ? 503 NAG B O4 1 HETATM 5571 O O5 . NAG R 2 . ? -1.760 -27.344 18.006 1.00 32.54 ? 503 NAG B O5 1 HETATM 5572 O O6 . NAG R 2 . ? 0.520 -25.559 18.775 1.00 29.73 ? 503 NAG B O6 1 HETATM 5573 O O7 . NAG R 2 . ? -1.812 -28.457 13.385 1.00 36.91 ? 503 NAG B O7 1 HETATM 5574 C C1 . NAG S 2 . ? -33.951 -33.396 3.334 1.00 79.30 ? 504 NAG B C1 1 HETATM 5575 C C2 . NAG S 2 . ? -34.868 -32.624 2.360 1.00 87.06 ? 504 NAG B C2 1 HETATM 5576 C C3 . NAG S 2 . ? -36.039 -33.493 1.844 1.00 88.24 ? 504 NAG B C3 1 HETATM 5577 C C4 . NAG S 2 . ? -35.408 -34.808 1.323 1.00 94.74 ? 504 NAG B C4 1 HETATM 5578 C C5 . NAG S 2 . ? -34.549 -35.458 2.439 1.00 99.86 ? 504 NAG B C5 1 HETATM 5579 C C6 . NAG S 2 . ? -33.948 -36.779 1.915 1.00 101.84 ? 504 NAG B C6 1 HETATM 5580 C C7 . NAG S 2 . ? -34.955 -30.175 2.466 1.00 86.01 ? 504 NAG B C7 1 HETATM 5581 C C8 . NAG S 2 . ? -35.487 -28.944 3.138 1.00 79.71 ? 504 NAG B C8 1 HETATM 5582 N N2 . NAG S 2 . ? -35.358 -31.399 2.979 1.00 90.80 ? 504 NAG B N2 1 HETATM 5583 O O3 . NAG S 2 . ? -36.685 -32.808 0.819 1.00 87.12 ? 504 NAG B O3 1 HETATM 5584 O O4 . NAG S 2 . ? -36.424 -35.698 0.985 1.00 100.72 ? 504 NAG B O4 1 HETATM 5585 O O5 . NAG S 2 . ? -33.494 -34.571 2.718 1.00 94.63 ? 504 NAG B O5 1 HETATM 5586 O O6 . NAG S 2 . ? -33.203 -36.474 0.775 1.00 98.07 ? 504 NAG B O6 1 HETATM 5587 O O7 . NAG S 2 . ? -34.195 -30.110 1.502 1.00 91.26 ? 504 NAG B O7 1 HETATM 5588 C C1 . NAG T 2 . ? -20.721 -33.710 26.515 1.00 70.49 ? 505 NAG B C1 1 HETATM 5589 C C2 . NAG T 2 . ? -20.958 -33.707 28.024 1.00 78.48 ? 505 NAG B C2 1 HETATM 5590 C C3 . NAG T 2 . ? -21.954 -34.765 28.489 1.00 85.32 ? 505 NAG B C3 1 HETATM 5591 C C4 . NAG T 2 . ? -23.139 -34.886 27.539 1.00 86.51 ? 505 NAG B C4 1 HETATM 5592 C C5 . NAG T 2 . ? -22.680 -34.973 26.090 1.00 83.01 ? 505 NAG B C5 1 HETATM 5593 C C6 . NAG T 2 . ? -23.878 -35.075 25.152 1.00 83.52 ? 505 NAG B C6 1 HETATM 5594 C C7 . NAG T 2 . ? -19.123 -32.868 29.328 1.00 72.53 ? 505 NAG B C7 1 HETATM 5595 C C8 . NAG T 2 . ? -17.694 -33.082 29.717 1.00 69.79 ? 505 NAG B C8 1 HETATM 5596 N N2 . NAG T 2 . ? -19.698 -33.885 28.700 1.00 73.91 ? 505 NAG B N2 1 HETATM 5597 O O3 . NAG T 2 . ? -22.443 -34.435 29.772 1.00 88.58 ? 505 NAG B O3 1 HETATM 5598 O O4 . NAG T 2 . ? -23.873 -36.048 27.862 1.00 83.72 ? 505 NAG B O4 1 HETATM 5599 O O5 . NAG T 2 . ? -21.917 -33.831 25.767 1.00 79.86 ? 505 NAG B O5 1 HETATM 5600 O O6 . NAG T 2 . ? -23.575 -35.951 24.089 1.00 83.13 ? 505 NAG B O6 1 HETATM 5601 O O7 . NAG T 2 . ? -19.680 -31.799 29.587 1.00 72.88 ? 505 NAG B O7 1 HETATM 5602 C C1 . NAG U 2 . ? 3.740 -38.332 22.233 1.00 54.04 ? 506 NAG B C1 1 HETATM 5603 C C2 . NAG U 2 . ? 4.227 -37.937 23.623 1.00 70.42 ? 506 NAG B C2 1 HETATM 5604 C C3 . NAG U 2 . ? 5.684 -38.331 23.833 1.00 74.84 ? 506 NAG B C3 1 HETATM 5605 C C4 . NAG U 2 . ? 5.950 -39.759 23.372 1.00 76.81 ? 506 NAG B C4 1 HETATM 5606 C C5 . NAG U 2 . ? 5.376 -40.001 21.981 1.00 74.80 ? 506 NAG B C5 1 HETATM 5607 C C6 . NAG U 2 . ? 5.574 -41.448 21.541 1.00 77.09 ? 506 NAG B C6 1 HETATM 5608 C C7 . NAG U 2 . ? 3.142 -35.998 24.613 1.00 62.26 ? 506 NAG B C7 1 HETATM 5609 C C8 . NAG U 2 . ? 3.226 -34.522 24.881 1.00 49.34 ? 506 NAG B C8 1 HETATM 5610 N N2 . NAG U 2 . ? 4.070 -36.507 23.807 1.00 68.07 ? 506 NAG B N2 1 HETATM 5611 O O3 . NAG U 2 . ? 6.005 -38.213 25.202 1.00 74.42 ? 506 NAG B O3 1 HETATM 5612 O O4 . NAG U 2 . ? 7.341 -39.987 23.346 1.00 81.50 ? 506 NAG B O4 1 HETATM 5613 O O5 . NAG U 2 . ? 3.998 -39.695 21.976 1.00 65.31 ? 506 NAG B O5 1 HETATM 5614 O O6 . NAG U 2 . ? 4.802 -42.300 22.357 1.00 82.57 ? 506 NAG B O6 1 HETATM 5615 O O7 . NAG U 2 . ? 2.250 -36.678 25.122 1.00 55.79 ? 506 NAG B O7 1 HETATM 5616 C C1 . NAG V 2 . ? -5.945 -42.567 29.733 1.00 71.84 ? 507 NAG B C1 1 HETATM 5617 C C2 . NAG V 2 . ? -4.825 -42.501 30.768 1.00 87.40 ? 507 NAG B C2 1 HETATM 5618 C C3 . NAG V 2 . ? -5.195 -43.271 32.028 1.00 99.83 ? 507 NAG B C3 1 HETATM 5619 C C4 . NAG V 2 . ? -6.556 -42.819 32.535 1.00 105.22 ? 507 NAG B C4 1 HETATM 5620 C C5 . NAG V 2 . ? -7.596 -42.877 31.422 1.00 102.96 ? 507 NAG B C5 1 HETATM 5621 C C6 . NAG V 2 . ? -8.926 -42.317 31.914 1.00 107.68 ? 507 NAG B C6 1 HETATM 5622 C C7 . NAG V 2 . ? -2.460 -42.292 30.209 1.00 97.31 ? 507 NAG B C7 1 HETATM 5623 C C8 . NAG V 2 . ? -2.505 -40.938 30.858 1.00 97.09 ? 507 NAG B C8 1 HETATM 5624 N N2 . NAG V 2 . ? -3.582 -43.012 30.217 1.00 88.81 ? 507 NAG B N2 1 HETATM 5625 O O3 . NAG V 2 . ? -4.222 -43.047 33.023 1.00 101.98 ? 507 NAG B O3 1 HETATM 5626 O O4 . NAG V 2 . ? -6.959 -43.651 33.600 1.00 111.93 ? 507 NAG B O4 1 HETATM 5627 O O5 . NAG V 2 . ? -7.171 -42.139 30.293 1.00 90.98 ? 507 NAG B O5 1 HETATM 5628 O O6 . NAG V 2 . ? -9.300 -42.973 33.104 1.00 111.33 ? 507 NAG B O6 1 HETATM 5629 O O7 . NAG V 2 . ? -1.415 -42.696 29.701 1.00 102.66 ? 507 NAG B O7 1 HETATM 5630 C C1 . NAG W 2 . ? -6.268 -50.082 7.935 1.00 66.07 ? 508 NAG B C1 1 HETATM 5631 C C2 . NAG W 2 . ? -6.594 -50.225 6.451 1.00 78.74 ? 508 NAG B C2 1 HETATM 5632 C C3 . NAG W 2 . ? -7.429 -51.471 6.190 1.00 82.23 ? 508 NAG B C3 1 HETATM 5633 C C4 . NAG W 2 . ? -6.776 -52.690 6.827 1.00 83.42 ? 508 NAG B C4 1 HETATM 5634 C C5 . NAG W 2 . ? -6.441 -52.425 8.291 1.00 82.99 ? 508 NAG B C5 1 HETATM 5635 C C6 . NAG W 2 . ? -5.698 -53.614 8.889 1.00 81.98 ? 508 NAG B C6 1 HETATM 5636 C C7 . NAG W 2 . ? -6.776 -48.304 4.988 1.00 81.19 ? 508 NAG B C7 1 HETATM 5637 C C8 . NAG W 2 . ? -7.682 -47.272 4.386 1.00 77.32 ? 508 NAG B C8 1 HETATM 5638 N N2 . NAG W 2 . ? -7.286 -49.046 5.967 1.00 82.18 ? 508 NAG B N2 1 HETATM 5639 O O3 . NAG W 2 . ? -7.556 -51.675 4.800 1.00 77.76 ? 508 NAG B O3 1 HETATM 5640 O O4 . NAG W 2 . ? -7.651 -53.792 6.735 1.00 86.18 ? 508 NAG B O4 1 HETATM 5641 O O5 . NAG W 2 . ? -5.651 -51.259 8.420 1.00 81.06 ? 508 NAG B O5 1 HETATM 5642 O O6 . NAG W 2 . ? -5.382 -53.349 10.237 1.00 83.95 ? 508 NAG B O6 1 HETATM 5643 O O7 . NAG W 2 . ? -5.623 -48.437 4.578 1.00 80.17 ? 508 NAG B O7 1 HETATM 5644 C C1 . NAG X 2 . ? -6.112 -29.264 24.219 1.00 80.18 ? 509 NAG B C1 1 HETATM 5645 C C2 . NAG X 2 . ? -5.028 -28.196 24.162 1.00 90.64 ? 509 NAG B C2 1 HETATM 5646 C C3 . NAG X 2 . ? -4.036 -28.398 25.300 1.00 100.99 ? 509 NAG B C3 1 HETATM 5647 C C4 . NAG X 2 . ? -4.761 -28.530 26.635 1.00 101.93 ? 509 NAG B C4 1 HETATM 5648 C C5 . NAG X 2 . ? -5.912 -29.529 26.554 1.00 96.10 ? 509 NAG B C5 1 HETATM 5649 C C6 . NAG X 2 . ? -6.721 -29.526 27.847 1.00 96.28 ? 509 NAG B C6 1 HETATM 5650 C C7 . NAG X 2 . ? -4.398 -27.223 22.018 1.00 88.18 ? 509 NAG B C7 1 HETATM 5651 C C8 . NAG X 2 . ? -5.711 -26.513 21.865 1.00 89.23 ? 509 NAG B C8 1 HETATM 5652 N N2 . NAG X 2 . ? -4.353 -28.239 22.878 1.00 86.13 ? 509 NAG B N2 1 HETATM 5653 O O3 . NAG X 2 . ? -3.150 -27.302 25.352 1.00 104.44 ? 509 NAG B O3 1 HETATM 5654 O O4 . NAG X 2 . ? -3.847 -28.954 27.622 1.00 106.18 ? 509 NAG B O4 1 HETATM 5655 O O5 . NAG X 2 . ? -6.766 -29.225 25.470 1.00 89.21 ? 509 NAG B O5 1 HETATM 5656 O O6 . NAG X 2 . ? -7.813 -30.408 27.723 1.00 96.64 ? 509 NAG B O6 1 HETATM 5657 O O7 . NAG X 2 . ? -3.422 -26.863 21.362 1.00 88.24 ? 509 NAG B O7 1 HETATM 5658 N N1 . EPE Y 3 . ? -6.837 -10.506 2.125 1.00 49.68 ? 510 EPE B N1 1 HETATM 5659 C C2 . EPE Y 3 . ? -8.191 -10.500 1.516 1.00 50.57 ? 510 EPE B C2 1 HETATM 5660 C C3 . EPE Y 3 . ? -9.064 -11.550 2.210 1.00 55.57 ? 510 EPE B C3 1 HETATM 5661 N N4 . EPE Y 3 . ? -9.147 -11.253 3.670 1.00 47.39 ? 510 EPE B N4 1 HETATM 5662 C C5 . EPE Y 3 . ? -7.794 -11.273 4.291 1.00 31.39 ? 510 EPE B C5 1 HETATM 5663 C C6 . EPE Y 3 . ? -6.854 -10.273 3.595 1.00 34.10 ? 510 EPE B C6 1 HETATM 5664 C C7 . EPE Y 3 . ? -10.129 -12.115 4.398 1.00 49.26 ? 510 EPE B C7 1 HETATM 5665 C C8 . EPE Y 3 . ? -11.570 -12.133 3.916 1.00 59.68 ? 510 EPE B C8 1 HETATM 5666 O O8 . EPE Y 3 . ? -11.881 -12.400 2.771 1.00 49.50 ? 510 EPE B O8 1 HETATM 5667 C C9 . EPE Y 3 . ? -5.847 -9.703 1.343 1.00 47.80 ? 510 EPE B C9 1 HETATM 5668 C C10 . EPE Y 3 . ? -5.317 -8.521 2.147 1.00 36.75 ? 510 EPE B C10 1 HETATM 5669 S S . EPE Y 3 . ? -4.457 -7.472 1.012 1.00 45.68 ? 510 EPE B S 1 HETATM 5670 O O1S . EPE Y 3 . ? -5.255 -6.351 0.209 1.00 59.73 ? 510 EPE B O1S 1 HETATM 5671 O O2S . EPE Y 3 . ? -3.263 -8.127 0.181 1.00 54.33 ? 510 EPE B O2S 1 HETATM 5672 O O3S . EPE Y 3 . ? -3.556 -6.525 1.975 1.00 39.58 ? 510 EPE B O3S 1 HETATM 5673 C C01 . 0KW Z 4 . ? -4.540 -32.702 3.291 1.00 100.58 ? 511 0KW B C01 1 HETATM 5674 C C02 . 0KW Z 4 . ? -5.841 -32.958 3.520 1.00 97.32 ? 511 0KW B C02 1 HETATM 5675 C C03 . 0KW Z 4 . ? -6.680 -33.202 2.489 1.00 102.81 ? 511 0KW B C03 1 HETATM 5676 C C04 . 0KW Z 4 . ? -6.199 -33.198 1.236 1.00 112.14 ? 511 0KW B C04 1 HETATM 5677 C C05 . 0KW Z 4 . ? -4.896 -32.929 1.013 1.00 110.56 ? 511 0KW B C05 1 HETATM 5678 C C06 . 0KW Z 4 . ? -4.070 -32.679 2.045 1.00 106.33 ? 511 0KW B C06 1 HETATM 5679 CL CL1 . 0KW Z 4 . ? -3.470 -32.380 4.561 1.00 90.97 ? 511 0KW B CL1 1 HETATM 5680 N N08 . 0KW Z 4 . ? -6.969 -33.443 0.041 1.00 116.73 ? 511 0KW B N08 1 HETATM 5681 C C09 . 0KW Z 4 . ? -8.383 -33.332 -0.020 1.00 111.17 ? 511 0KW B C09 1 HETATM 5682 C C10 . 0KW Z 4 . ? -9.100 -33.597 -1.337 1.00 106.92 ? 511 0KW B C10 1 HETATM 5683 N N11 . 0KW Z 4 . ? -10.539 -33.461 -1.424 1.00 110.67 ? 511 0KW B N11 1 HETATM 5684 O O12 . 0KW Z 4 . ? -8.458 -33.892 -2.308 1.00 104.91 ? 511 0KW B O12 1 HETATM 5685 O O13 . 0KW Z 4 . ? -9.008 -33.045 0.944 1.00 107.72 ? 511 0KW B O13 1 HETATM 5686 C C14 . 0KW Z 4 . ? -11.228 -33.718 -2.644 1.00 114.94 ? 511 0KW B C14 1 HETATM 5687 C C15 . 0KW Z 4 . ? -12.452 -34.554 -2.417 1.00 112.59 ? 511 0KW B C15 1 HETATM 5688 C C16 . 0KW Z 4 . ? -11.647 -32.475 -3.391 1.00 121.37 ? 511 0KW B C16 1 HETATM 5689 C C17 . 0KW Z 4 . ? -12.753 -34.996 -1.047 1.00 112.25 ? 511 0KW B C17 1 HETATM 5690 C C18 . 0KW Z 4 . ? -14.060 -35.718 -1.036 1.00 111.53 ? 511 0KW B C18 1 HETATM 5691 C C19 . 0KW Z 4 . ? -14.230 -36.749 -2.048 1.00 111.12 ? 511 0KW B C19 1 HETATM 5692 C C20 . 0KW Z 4 . ? -13.624 -36.434 -3.352 1.00 110.68 ? 511 0KW B C20 1 HETATM 5693 N N21 . 0KW Z 4 . ? -12.324 -35.783 -3.170 1.00 110.53 ? 511 0KW B N21 1 HETATM 5694 N N22 . 0KW Z 4 . ? -11.751 -32.468 -4.712 1.00 127.04 ? 511 0KW B N22 1 HETATM 5695 C C23 . 0KW Z 4 . ? -12.212 -31.262 -5.160 1.00 124.98 ? 511 0KW B C23 1 HETATM 5696 C C24 . 0KW Z 4 . ? -12.516 -30.290 -4.192 1.00 123.81 ? 511 0KW B C24 1 HETATM 5697 S S25 . 0KW Z 4 . ? -12.179 -31.016 -2.667 1.00 199.49 ? 511 0KW B S25 1 HETATM 5698 C C26 . 0KW Z 4 . ? -12.382 -31.035 -6.637 1.00 122.56 ? 511 0KW B C26 1 HETATM 5699 C C27 . 0KW Z 4 . ? -13.057 -28.886 -4.434 1.00 121.50 ? 511 0KW B C27 1 HETATM 5700 C C28 . 0KW Z 4 . ? -13.549 -28.232 -3.126 1.00 118.59 ? 511 0KW B C28 1 HETATM 5701 O O29 . 0KW Z 4 . ? -14.115 -26.983 -3.328 1.00 118.16 ? 511 0KW B O29 1 HETATM 5702 H H1 . 0KW Z 4 . ? -6.174 -32.966 4.422 1.00 116.78 ? 511 0KW B H1 1 HETATM 5703 H H2 . 0KW Z 4 . ? -7.611 -33.395 2.654 1.00 123.37 ? 511 0KW B H2 1 HETATM 5704 H H3 . 0KW Z 4 . ? -4.553 -32.921 0.108 1.00 132.68 ? 511 0KW B H3 1 HETATM 5705 H H4 . 0KW Z 4 . ? -3.130 -32.494 1.882 1.00 127.59 ? 511 0KW B H4 1 HETATM 5706 H H5 . 0KW Z 4 . ? -6.536 -33.662 -0.697 1.00 140.07 ? 511 0KW B H5 1 HETATM 5707 H H6 . 0KW Z 4 . ? -10.997 -33.260 -0.703 1.00 132.81 ? 511 0KW B H6 1 HETATM 5708 H H7 . 0KW Z 4 . ? -10.628 -34.225 -3.229 1.00 137.93 ? 511 0KW B H7 1 HETATM 5709 H H8 . 0KW Z 4 . ? -13.227 -34.065 -2.758 1.00 135.10 ? 511 0KW B H8 1 HETATM 5710 H H9 . 0KW Z 4 . ? -12.790 -34.243 -0.454 1.00 134.70 ? 511 0KW B H9 1 HETATM 5711 H H10 . 0KW Z 4 . ? -12.059 -35.595 -0.741 1.00 134.70 ? 511 0KW B H10 1 HETATM 5712 H H12 . 0KW Z 4 . ? -14.165 -36.140 -0.149 1.00 133.84 ? 511 0KW B H12 1 HETATM 5713 H H11 . 0KW Z 4 . ? -14.774 -35.065 -1.150 1.00 133.84 ? 511 0KW B H11 1 HETATM 5714 H H13 . 0KW Z 4 . ? -15.195 -36.931 -2.169 1.00 133.34 ? 511 0KW B H13 1 HETATM 5715 H H14 . 0KW Z 4 . ? -13.810 -37.566 -1.708 1.00 133.34 ? 511 0KW B H14 1 HETATM 5716 H H16 . 0KW Z 4 . ? -13.496 -37.256 -3.847 1.00 132.82 ? 511 0KW B H16 1 HETATM 5717 H H15 . 0KW Z 4 . ? -14.225 -35.850 -3.869 1.00 132.82 ? 511 0KW B H15 1 HETATM 5718 H H17 . 0KW Z 4 . ? -11.933 -36.578 -2.866 1.00 132.63 ? 511 0KW B H17 1 HETATM 5719 H H20 . 0KW Z 4 . ? -12.198 -31.865 -7.117 1.00 147.08 ? 511 0KW B H20 1 HETATM 5720 H H19 . 0KW Z 4 . ? -13.297 -30.751 -6.821 1.00 147.08 ? 511 0KW B H19 1 HETATM 5721 H H21 . 0KW Z 4 . ? -11.766 -30.349 -6.931 1.00 147.08 ? 511 0KW B H21 1 HETATM 5722 H H22 . 0KW Z 4 . ? -13.817 -28.947 -5.047 1.00 145.80 ? 511 0KW B H22 1 HETATM 5723 H H23 . 0KW Z 4 . ? -12.355 -28.325 -4.845 1.00 145.80 ? 511 0KW B H23 1 HETATM 5724 H H25 . 0KW Z 4 . ? -12.794 -28.140 -2.519 1.00 142.30 ? 511 0KW B H25 1 HETATM 5725 H H24 . 0KW Z 4 . ? -14.205 -28.816 -2.711 1.00 142.30 ? 511 0KW B H24 1 HETATM 5726 H H26 . 0KW Z 4 . ? -14.570 -26.737 -2.590 1.00 141.79 ? 511 0KW B H26 1 HETATM 5727 O O . HOH AA 5 . ? 16.182 -11.083 43.092 1.00 25.75 ? 601 HOH A O 1 HETATM 5728 O O . HOH AA 5 . ? 15.299 -18.378 26.039 1.00 30.78 ? 602 HOH A O 1 HETATM 5729 O O . HOH AA 5 . ? 13.557 -15.492 24.352 1.00 33.69 ? 603 HOH A O 1 HETATM 5730 O O . HOH AA 5 . ? 24.867 4.316 57.009 1.00 39.29 ? 604 HOH A O 1 HETATM 5731 O O . HOH AA 5 . ? 15.513 -11.280 26.530 1.00 32.68 ? 605 HOH A O 1 HETATM 5732 O O . HOH AA 5 . ? 20.234 -1.445 28.141 1.00 38.89 ? 606 HOH A O 1 HETATM 5733 O O . HOH AA 5 . ? 15.202 -29.337 44.785 1.00 38.63 ? 607 HOH A O 1 HETATM 5734 O O . HOH AA 5 . ? 15.836 -7.695 49.824 1.00 32.29 ? 608 HOH A O 1 HETATM 5735 O O . HOH AA 5 . ? 21.600 -8.830 47.014 1.00 27.69 ? 609 HOH A O 1 HETATM 5736 O O . HOH AA 5 . ? 30.418 -18.109 53.965 1.00 33.98 ? 610 HOH A O 1 HETATM 5737 O O . HOH AA 5 . ? 15.758 -6.209 51.998 1.00 33.35 ? 611 HOH A O 1 HETATM 5738 O O . HOH AA 5 . ? -0.112 -11.025 30.012 1.00 42.60 ? 612 HOH A O 1 HETATM 5739 O O . HOH AA 5 . ? 9.705 -9.336 40.291 1.00 37.20 ? 613 HOH A O 1 HETATM 5740 O O . HOH AA 5 . ? 23.151 10.546 43.570 1.00 33.42 ? 614 HOH A O 1 HETATM 5741 O O . HOH AA 5 . ? 16.198 -8.317 41.392 1.00 33.64 ? 615 HOH A O 1 HETATM 5742 O O . HOH AA 5 . ? 12.162 -7.742 40.587 1.00 41.25 ? 616 HOH A O 1 HETATM 5743 O O . HOH AA 5 . ? 14.736 10.179 52.897 1.00 40.38 ? 617 HOH A O 1 HETATM 5744 O O . HOH AA 5 . ? 1.491 -17.555 20.494 1.00 35.35 ? 618 HOH A O 1 HETATM 5745 O O . HOH AA 5 . ? 26.538 5.290 36.683 1.00 37.36 ? 619 HOH A O 1 HETATM 5746 O O . HOH AA 5 . ? 15.109 3.897 50.879 1.00 42.81 ? 620 HOH A O 1 HETATM 5747 O O . HOH AA 5 . ? 16.311 -26.722 38.839 1.00 36.99 ? 621 HOH A O 1 HETATM 5748 O O . HOH AA 5 . ? 15.059 -15.656 50.863 1.00 37.33 ? 622 HOH A O 1 HETATM 5749 O O . HOH AA 5 . ? 27.395 -12.516 56.931 1.00 43.20 ? 623 HOH A O 1 HETATM 5750 O O . HOH AA 5 . ? 23.013 -5.985 46.931 1.00 35.87 ? 624 HOH A O 1 HETATM 5751 O O . HOH AA 5 . ? 11.741 -25.911 23.999 1.00 42.49 ? 625 HOH A O 1 HETATM 5752 O O . HOH AA 5 . ? 12.887 -18.193 24.273 1.00 39.11 ? 626 HOH A O 1 HETATM 5753 O O . HOH AA 5 . ? 16.101 5.694 29.412 1.00 34.60 ? 627 HOH A O 1 HETATM 5754 O O . HOH AA 5 . ? 9.466 -7.912 35.261 1.00 33.24 ? 628 HOH A O 1 HETATM 5755 O O . HOH AA 5 . ? 0.158 -7.255 35.025 1.00 41.70 ? 629 HOH A O 1 HETATM 5756 O O . HOH AA 5 . ? 1.014 -11.502 46.707 1.00 45.23 ? 630 HOH A O 1 HETATM 5757 O O . HOH AA 5 . ? 5.888 -21.170 50.353 1.00 54.55 ? 631 HOH A O 1 HETATM 5758 O O . HOH AA 5 . ? 20.565 -13.586 37.354 1.00 34.82 ? 632 HOH A O 1 HETATM 5759 O O . HOH AA 5 . ? 34.057 -26.556 58.045 1.00 40.21 ? 633 HOH A O 1 HETATM 5760 O O . HOH AA 5 . ? 29.077 -20.887 60.838 1.00 47.30 ? 634 HOH A O 1 HETATM 5761 O O . HOH AA 5 . ? 3.220 -0.395 33.598 1.00 43.44 ? 635 HOH A O 1 HETATM 5762 O O . HOH AA 5 . ? 25.931 -9.659 35.267 1.00 52.98 ? 636 HOH A O 1 HETATM 5763 O O . HOH AA 5 . ? 29.414 -10.797 55.911 1.00 55.32 ? 637 HOH A O 1 HETATM 5764 O O . HOH AA 5 . ? 20.023 -10.086 49.307 1.00 35.08 ? 638 HOH A O 1 HETATM 5765 O O . HOH AA 5 . ? 29.351 -17.059 51.708 1.00 36.94 ? 639 HOH A O 1 HETATM 5766 O O . HOH AA 5 . ? 17.290 -31.664 45.042 1.00 44.95 ? 640 HOH A O 1 HETATM 5767 O O . HOH AA 5 . ? 9.607 -7.426 26.550 1.00 40.77 ? 641 HOH A O 1 HETATM 5768 O O . HOH AA 5 . ? -3.651 -20.625 27.731 1.00 52.60 ? 642 HOH A O 1 HETATM 5769 O O . HOH AA 5 . ? 13.259 12.273 52.868 1.00 41.92 ? 643 HOH A O 1 HETATM 5770 O O . HOH AA 5 . ? 18.675 4.309 26.551 1.00 41.13 ? 644 HOH A O 1 HETATM 5771 O O . HOH AA 5 . ? 20.281 -11.828 47.121 1.00 45.48 ? 645 HOH A O 1 HETATM 5772 O O . HOH AA 5 . ? 19.379 -12.426 27.119 1.00 36.44 ? 646 HOH A O 1 HETATM 5773 O O . HOH AA 5 . ? 9.863 -9.890 37.348 1.00 41.51 ? 647 HOH A O 1 HETATM 5774 O O . HOH AA 5 . ? 19.661 19.247 38.450 1.00 52.99 ? 648 HOH A O 1 HETATM 5775 O O . HOH AA 5 . ? 19.224 -26.793 41.016 1.00 47.06 ? 649 HOH A O 1 HETATM 5776 O O . HOH AA 5 . ? -9.795 -18.829 19.892 1.00 51.18 ? 650 HOH A O 1 HETATM 5777 O O . HOH AA 5 . ? 27.633 -10.601 59.078 1.00 47.73 ? 651 HOH A O 1 HETATM 5778 O O . HOH AA 5 . ? -1.901 -17.310 33.186 1.00 44.00 ? 652 HOH A O 1 HETATM 5779 O O . HOH AA 5 . ? 25.166 11.024 41.661 1.00 45.24 ? 653 HOH A O 1 HETATM 5780 O O . HOH AA 5 . ? 24.252 12.345 39.015 1.00 47.26 ? 654 HOH A O 1 HETATM 5781 O O . HOH AA 5 . ? 12.618 2.191 27.545 1.00 39.49 ? 655 HOH A O 1 HETATM 5782 O O . HOH AA 5 . ? 13.745 -12.454 56.655 1.00 38.42 ? 656 HOH A O 1 HETATM 5783 O O . HOH AA 5 . ? 29.944 -14.144 52.530 1.00 40.50 ? 657 HOH A O 1 HETATM 5784 O O . HOH AA 5 . ? 12.303 0.409 29.540 1.00 37.08 ? 658 HOH A O 1 HETATM 5785 O O . HOH AA 5 . ? 15.629 7.247 26.966 1.00 46.82 ? 659 HOH A O 1 HETATM 5786 O O . HOH AA 5 . ? 9.712 -30.422 53.149 1.00 48.25 ? 660 HOH A O 1 HETATM 5787 O O . HOH AA 5 . ? 10.770 6.672 21.344 1.00 59.70 ? 661 HOH A O 1 HETATM 5788 O O . HOH AA 5 . ? 8.341 15.803 41.604 1.00 56.39 ? 662 HOH A O 1 HETATM 5789 O O . HOH AA 5 . ? 21.896 -4.185 28.486 1.00 54.72 ? 663 HOH A O 1 HETATM 5790 O O . HOH AA 5 . ? 17.887 -9.989 53.706 1.00 56.69 ? 664 HOH A O 1 HETATM 5791 O O . HOH AA 5 . ? 29.533 -25.222 50.572 1.00 42.16 ? 665 HOH A O 1 HETATM 5792 O O . HOH AA 5 . ? 16.015 2.314 23.032 1.00 48.59 ? 666 HOH A O 1 HETATM 5793 O O . HOH AA 5 . ? 14.502 -7.625 42.914 1.00 40.00 ? 667 HOH A O 1 HETATM 5794 O O . HOH AA 5 . ? 8.633 3.203 46.226 1.00 38.33 ? 668 HOH A O 1 HETATM 5795 O O . HOH AA 5 . ? 17.034 -11.104 18.767 1.00 40.74 ? 669 HOH A O 1 HETATM 5796 O O . HOH AA 5 . ? 7.345 -20.549 52.747 1.00 59.23 ? 670 HOH A O 1 HETATM 5797 O O . HOH AA 5 . ? 20.953 18.995 34.106 1.00 43.20 ? 671 HOH A O 1 HETATM 5798 O O . HOH AA 5 . ? 12.084 -3.859 44.883 1.00 38.83 ? 672 HOH A O 1 HETATM 5799 O O . HOH AA 5 . ? 13.784 -5.278 43.470 1.00 46.88 ? 673 HOH A O 1 HETATM 5800 O O . HOH AA 5 . ? 13.263 -24.720 20.013 1.00 39.38 ? 674 HOH A O 1 HETATM 5801 O O . HOH AA 5 . ? 11.266 -24.373 19.318 1.00 39.05 ? 675 HOH A O 1 HETATM 5802 O O . HOH AA 5 . ? 10.325 14.740 43.470 1.00 52.78 ? 676 HOH A O 1 HETATM 5803 O O . HOH AA 5 . ? 10.649 -2.968 43.792 1.00 55.10 ? 677 HOH A O 1 HETATM 5804 O O . HOH AA 5 . ? 15.754 -17.560 48.428 1.00 26.80 ? 678 HOH A O 1 HETATM 5805 O O . HOH AA 5 . ? -7.119 -20.740 17.875 1.00 48.12 ? 679 HOH A O 1 HETATM 5806 O O . HOH AA 5 . ? 17.084 11.161 54.197 1.00 59.77 ? 680 HOH A O 1 HETATM 5807 O O . HOH AA 5 . ? 36.068 -24.618 57.368 1.00 48.39 ? 681 HOH A O 1 HETATM 5808 O O . HOH AA 5 . ? 31.716 -12.955 54.276 1.00 55.03 ? 682 HOH A O 1 HETATM 5809 O O . HOH AA 5 . ? 7.927 8.018 21.328 1.00 65.74 ? 683 HOH A O 1 HETATM 5810 O O . HOH AA 5 . ? 16.301 -8.070 18.890 1.00 61.22 ? 684 HOH A O 1 HETATM 5811 O O . HOH AA 5 . ? 34.033 -5.186 40.151 1.00 56.56 ? 685 HOH A O 1 HETATM 5812 O O . HOH AA 5 . ? 3.226 -33.414 46.680 1.00 62.52 ? 686 HOH A O 1 HETATM 5813 O O . HOH AA 5 . ? 21.568 -3.198 26.047 1.00 63.88 ? 687 HOH A O 1 HETATM 5814 O O . HOH AA 5 . ? 11.592 -16.619 59.686 1.00 52.47 ? 688 HOH A O 1 HETATM 5815 O O . HOH AA 5 . ? 21.919 -30.635 46.037 1.00 62.28 ? 689 HOH A O 1 HETATM 5816 O O . HOH AA 5 . ? 21.930 14.120 26.454 1.00 66.49 ? 690 HOH A O 1 HETATM 5817 O O . HOH AA 5 . ? 15.716 -4.764 21.135 1.00 54.42 ? 691 HOH A O 1 HETATM 5818 O O . HOH AA 5 . ? 16.695 8.610 56.287 1.00 57.59 ? 692 HOH A O 1 HETATM 5819 O O . HOH AA 5 . ? 3.538 -16.728 50.327 1.00 72.61 ? 693 HOH A O 1 HETATM 5820 O O . HOH AA 5 . ? 22.478 -6.895 29.101 1.00 62.73 ? 694 HOH A O 1 HETATM 5821 O O . HOH AA 5 . ? -4.720 -16.354 41.162 1.00 70.98 ? 695 HOH A O 1 HETATM 5822 O O . HOH AA 5 . ? 12.226 -31.940 27.226 1.00 52.44 ? 696 HOH A O 1 HETATM 5823 O O . HOH AA 5 . ? 1.918 -4.428 35.867 1.00 43.89 ? 697 HOH A O 1 HETATM 5824 O O . HOH AA 5 . ? 13.934 -22.440 56.286 1.00 53.33 ? 698 HOH A O 1 HETATM 5825 O O . HOH AA 5 . ? 33.877 -26.003 60.458 1.00 55.21 ? 699 HOH A O 1 HETATM 5826 O O . HOH AA 5 . ? -5.207 13.582 18.681 1.00 65.57 ? 700 HOH A O 1 HETATM 5827 O O . HOH AA 5 . ? 3.643 -2.862 34.561 1.00 54.97 ? 701 HOH A O 1 HETATM 5828 O O . HOH AA 5 . ? -0.229 -28.710 23.308 1.00 50.62 ? 702 HOH A O 1 HETATM 5829 O O . HOH AA 5 . ? 9.924 -3.181 46.717 1.00 61.21 ? 703 HOH A O 1 HETATM 5830 O O . HOH AA 5 . ? 15.021 2.503 53.650 1.00 55.89 ? 704 HOH A O 1 HETATM 5831 O O . HOH AA 5 . ? 8.481 -22.132 56.311 1.00 60.15 ? 705 HOH A O 1 HETATM 5832 O O . HOH AA 5 . ? 6.773 -1.013 43.928 1.00 70.79 ? 706 HOH A O 1 HETATM 5833 O O . HOH AA 5 . ? 3.530 -19.209 52.316 1.00 54.69 ? 707 HOH A O 1 HETATM 5834 O O . HOH AA 5 . ? 34.449 -7.467 44.797 1.00 61.89 ? 708 HOH A O 1 HETATM 5835 O O . HOH AA 5 . ? 6.893 5.006 40.341 1.00 49.67 ? 709 HOH A O 1 HETATM 5836 O O . HOH AA 5 . ? 19.770 -5.571 22.705 1.00 65.50 ? 710 HOH A O 1 HETATM 5837 O O . HOH AA 5 . ? 7.895 6.985 40.128 1.00 49.11 ? 711 HOH A O 1 HETATM 5838 O O . HOH AA 5 . ? 23.716 -8.992 57.960 1.00 56.73 ? 712 HOH A O 1 HETATM 5839 O O . HOH AA 5 . ? 10.042 -1.205 47.024 1.00 57.95 ? 713 HOH A O 1 HETATM 5840 O O . HOH AA 5 . ? 15.524 -20.070 19.274 1.00 71.11 ? 714 HOH A O 1 HETATM 5841 O O . HOH AA 5 . ? 9.233 11.656 41.340 1.00 56.91 ? 715 HOH A O 1 HETATM 5842 O O . HOH AA 5 . ? 32.355 -7.806 45.440 1.00 60.97 ? 716 HOH A O 1 HETATM 5843 O O . HOH AA 5 . ? 26.868 3.541 29.956 1.00 64.91 ? 717 HOH A O 1 HETATM 5844 O O . HOH BA 5 . ? 3.437 -26.580 17.321 1.00 41.21 ? 601 HOH B O 1 HETATM 5845 O O . HOH BA 5 . ? 6.681 -12.985 9.724 1.00 46.77 ? 602 HOH B O 1 HETATM 5846 O O . HOH BA 5 . ? -6.817 -8.236 5.968 1.00 39.70 ? 603 HOH B O 1 HETATM 5847 O O . HOH BA 5 . ? -2.929 -26.036 14.734 1.00 31.97 ? 604 HOH B O 1 HETATM 5848 O O . HOH BA 5 . ? -2.836 -24.194 7.198 1.00 34.12 ? 605 HOH B O 1 HETATM 5849 O O . HOH BA 5 . ? 2.890 -28.364 12.032 1.00 37.03 ? 606 HOH B O 1 HETATM 5850 O O . HOH BA 5 . ? 1.473 -27.488 14.115 1.00 34.03 ? 607 HOH B O 1 HETATM 5851 O O . HOH BA 5 . ? 5.039 -34.699 2.660 1.00 40.53 ? 608 HOH B O 1 HETATM 5852 O O . HOH BA 5 . ? -4.469 -24.775 19.408 1.00 42.84 ? 609 HOH B O 1 HETATM 5853 O O . HOH BA 5 . ? -6.856 -23.161 18.833 1.00 38.95 ? 610 HOH B O 1 HETATM 5854 O O . HOH BA 5 . ? -1.800 -34.600 15.644 1.00 35.93 ? 611 HOH B O 1 HETATM 5855 O O . HOH BA 5 . ? 10.394 -28.596 7.538 1.00 41.20 ? 612 HOH B O 1 HETATM 5856 O O . HOH BA 5 . ? 6.626 -25.749 12.966 1.00 40.32 ? 613 HOH B O 1 HETATM 5857 O O . HOH BA 5 . ? -8.925 -22.918 16.068 1.00 42.64 ? 614 HOH B O 1 HETATM 5858 O O . HOH BA 5 . ? -8.953 -29.579 11.739 1.00 38.80 ? 615 HOH B O 1 HETATM 5859 O O . HOH BA 5 . ? 7.444 -36.048 2.531 1.00 42.36 ? 616 HOH B O 1 HETATM 5860 O O . HOH BA 5 . ? 13.030 -33.240 13.436 1.00 47.30 ? 617 HOH B O 1 HETATM 5861 O O . HOH BA 5 . ? -3.362 -27.078 8.377 1.00 30.19 ? 618 HOH B O 1 HETATM 5862 O O . HOH BA 5 . ? -2.857 -14.572 16.201 1.00 46.58 ? 619 HOH B O 1 HETATM 5863 O O . HOH BA 5 . ? 9.352 -21.481 6.212 1.00 40.52 ? 620 HOH B O 1 HETATM 5864 O O . HOH BA 5 . ? -3.430 -36.104 13.930 1.00 35.90 ? 621 HOH B O 1 HETATM 5865 O O . HOH BA 5 . ? -21.364 -21.048 2.585 1.00 41.07 ? 622 HOH B O 1 HETATM 5866 O O . HOH BA 5 . ? -1.665 -28.341 10.603 1.00 34.94 ? 623 HOH B O 1 HETATM 5867 O O . HOH BA 5 . ? 7.690 -26.702 10.977 1.00 50.13 ? 624 HOH B O 1 HETATM 5868 O O . HOH BA 5 . ? -13.968 -28.527 16.549 1.00 47.61 ? 625 HOH B O 1 HETATM 5869 O O . HOH BA 5 . ? -16.795 -28.490 26.922 1.00 50.39 ? 626 HOH B O 1 HETATM 5870 O O . HOH BA 5 . ? -22.360 -13.816 7.066 1.00 44.07 ? 627 HOH B O 1 HETATM 5871 O O . HOH BA 5 . ? 3.952 -17.621 3.568 1.00 48.26 ? 628 HOH B O 1 HETATM 5872 O O . HOH BA 5 . ? -8.206 -44.700 7.589 1.00 46.17 ? 629 HOH B O 1 HETATM 5873 O O . HOH BA 5 . ? -3.513 -30.406 9.294 1.00 39.52 ? 630 HOH B O 1 HETATM 5874 O O . HOH BA 5 . ? -23.291 -19.108 10.478 1.00 44.98 ? 631 HOH B O 1 HETATM 5875 O O . HOH BA 5 . ? 13.214 -38.080 6.591 1.00 53.23 ? 632 HOH B O 1 HETATM 5876 O O . HOH BA 5 . ? -9.747 -15.857 20.342 1.00 48.40 ? 633 HOH B O 1 HETATM 5877 O O . HOH BA 5 . ? 8.473 -30.520 6.271 1.00 45.31 ? 634 HOH B O 1 HETATM 5878 O O . HOH BA 5 . ? -0.812 -25.066 15.982 1.00 47.34 ? 635 HOH B O 1 HETATM 5879 O O . HOH BA 5 . ? -21.356 -12.799 4.810 1.00 46.60 ? 636 HOH B O 1 HETATM 5880 O O . HOH BA 5 . ? -18.851 -27.552 14.956 1.00 44.55 ? 637 HOH B O 1 HETATM 5881 O O . HOH BA 5 . ? 8.360 -45.833 2.945 1.00 48.09 ? 638 HOH B O 1 HETATM 5882 O O . HOH BA 5 . ? -3.071 -50.876 18.232 1.00 63.20 ? 639 HOH B O 1 HETATM 5883 O O . HOH BA 5 . ? 7.864 -25.453 -1.560 1.00 63.91 ? 640 HOH B O 1 HETATM 5884 O O . HOH BA 5 . ? -22.952 -27.360 23.648 1.00 44.91 ? 641 HOH B O 1 HETATM 5885 O O . HOH BA 5 . ? 2.414 -15.171 1.479 1.00 53.17 ? 642 HOH B O 1 HETATM 5886 O O . HOH BA 5 . ? 3.990 -20.321 14.496 1.00 54.34 ? 643 HOH B O 1 HETATM 5887 O O . HOH BA 5 . ? -25.083 -30.562 6.312 1.00 58.12 ? 644 HOH B O 1 HETATM 5888 O O . HOH BA 5 . ? 3.727 -18.680 16.108 1.00 49.54 ? 645 HOH B O 1 HETATM 5889 O O . HOH BA 5 . ? 10.655 -40.641 -3.240 1.00 45.92 ? 646 HOH B O 1 HETATM 5890 O O . HOH BA 5 . ? 13.190 -27.651 8.077 1.00 47.27 ? 647 HOH B O 1 HETATM 5891 O O . HOH BA 5 . ? -7.465 -17.544 -3.224 1.00 61.10 ? 648 HOH B O 1 HETATM 5892 O O . HOH BA 5 . ? -2.644 -19.147 10.439 1.00 50.56 ? 649 HOH B O 1 HETATM 5893 O O . HOH BA 5 . ? -19.532 0.722 11.459 1.00 64.35 ? 650 HOH B O 1 HETATM 5894 O O . HOH BA 5 . ? -16.732 -33.111 2.151 1.00 74.45 ? 651 HOH B O 1 HETATM 5895 O O . HOH BA 5 . ? -12.758 -24.643 23.319 1.00 60.39 ? 652 HOH B O 1 HETATM 5896 O O . HOH BA 5 . ? -30.536 -39.671 -0.624 1.00 60.51 ? 653 HOH B O 1 HETATM 5897 O O . HOH BA 5 . ? -24.018 -15.951 1.155 1.00 58.07 ? 654 HOH B O 1 HETATM 5898 O O . HOH BA 5 . ? 13.088 -46.007 4.270 1.00 56.35 ? 655 HOH B O 1 HETATM 5899 O O . HOH BA 5 . ? 7.410 -21.256 0.756 1.00 64.38 ? 656 HOH B O 1 HETATM 5900 O O . HOH BA 5 . ? -31.441 -23.836 19.776 1.00 61.80 ? 657 HOH B O 1 HETATM 5901 O O . HOH BA 5 . ? 8.545 -41.777 -3.569 1.00 46.92 ? 658 HOH B O 1 HETATM 5902 O O . HOH BA 5 . ? -9.767 -51.546 24.819 1.00 72.72 ? 659 HOH B O 1 HETATM 5903 O O . HOH BA 5 . ? -32.932 -12.703 10.524 1.00 60.73 ? 660 HOH B O 1 HETATM 5904 O O . HOH BA 5 . ? -33.733 -22.075 20.505 1.00 57.21 ? 661 HOH B O 1 HETATM 5905 O O . HOH BA 5 . ? -5.855 -22.533 -6.054 1.00 58.78 ? 662 HOH B O 1 HETATM 5906 O O . HOH BA 5 . ? -0.593 -33.690 25.883 1.00 66.27 ? 663 HOH B O 1 HETATM 5907 O O . HOH BA 5 . ? -7.335 -50.376 24.154 1.00 78.86 ? 664 HOH B O 1 HETATM 5908 O O . HOH BA 5 . ? -5.906 -2.926 14.444 1.00 52.57 ? 665 HOH B O 1 HETATM 5909 O O . HOH BA 5 . ? -3.756 -39.740 -2.379 1.00 67.18 ? 666 HOH B O 1 HETATM 5910 O O . HOH BA 5 . ? -9.344 -49.160 29.923 1.00 66.00 ? 667 HOH B O 1 HETATM 5911 O O . HOH BA 5 . ? -9.364 -8.681 17.563 1.00 48.18 ? 668 HOH B O 1 HETATM 5912 O O . HOH BA 5 . ? -17.875 -3.855 12.373 1.00 56.41 ? 669 HOH B O 1 HETATM 5913 O O . HOH BA 5 . ? 6.044 -28.406 2.864 1.00 54.24 ? 670 HOH B O 1 HETATM 5914 O O . HOH BA 5 . ? -12.399 -52.072 23.957 1.00 74.10 ? 671 HOH B O 1 HETATM 5915 O O . HOH BA 5 . ? 7.019 -27.845 1.445 1.00 52.19 ? 672 HOH B O 1 HETATM 5916 O O . HOH BA 5 . ? 15.414 -39.034 8.039 1.00 52.93 ? 673 HOH B O 1 HETATM 5917 O O . HOH BA 5 . ? -31.055 -32.821 20.478 1.00 61.85 ? 674 HOH B O 1 HETATM 5918 O O . HOH BA 5 . ? -10.787 -13.545 20.881 1.00 64.26 ? 675 HOH B O 1 HETATM 5919 O O . HOH BA 5 . ? 12.245 -32.474 16.745 1.00 59.59 ? 676 HOH B O 1 HETATM 5920 O O . HOH BA 5 . ? -25.027 -12.314 24.589 1.00 67.09 ? 677 HOH B O 1 HETATM 5921 O O . HOH BA 5 . ? -28.263 -30.664 28.209 1.00 68.10 ? 678 HOH B O 1 HETATM 5922 O O . HOH BA 5 . ? -30.290 -31.311 22.458 1.00 65.38 ? 679 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 . VAL A 1 ? 1.1375 0.7590 1.1606 0.1719 -0.1890 0.2180 44 VAL A N 2 C CA . VAL A 1 ? 1.1047 0.7560 1.1012 0.1502 -0.1818 0.2396 44 VAL A CA 3 C C . VAL A 1 ? 0.9879 0.6610 0.9846 0.1225 -0.1527 0.2285 44 VAL A C 4 O O . VAL A 1 ? 0.9731 0.6127 0.9800 0.1105 -0.1490 0.2264 44 VAL A O 5 C CB . VAL A 1 ? 1.3968 1.0209 1.3538 0.1364 -0.1901 0.2790 44 VAL A CB 6 C CG1 . VAL A 1 ? 1.4198 0.9975 1.3717 0.1132 -0.1840 0.2931 44 VAL A CG1 7 C CG2 . VAL A 1 ? 1.3764 1.0378 1.2975 0.1202 -0.1809 0.2985 44 VAL A CG2 8 N N . TRP A 2 ? 0.8695 0.5964 0.8551 0.1135 -0.1350 0.2204 45 TRP A N 9 C CA . TRP A 2 ? 0.8609 0.6130 0.8482 0.0917 -0.1081 0.2087 45 TRP A CA 10 C C . TRP A 2 ? 0.7596 0.5494 0.7132 0.0784 -0.0928 0.2190 45 TRP A C 11 O O . TRP A 2 ? 0.8458 0.6443 0.7720 0.0863 -0.1038 0.2308 45 TRP A O 12 C CB . TRP A 2 ? 0.8922 0.6716 0.9123 0.1023 -0.0987 0.1703 45 TRP A CB 13 C CG . TRP A 2 ? 0.9144 0.7345 0.9434 0.1203 -0.1046 0.1541 45 TRP A CG 14 C CD1 . TRP A 2 ? 0.8745 0.7346 0.8873 0.1138 -0.0980 0.1500 45 TRP A CD1 15 C CD2 . TRP A 2 ? 0.9467 0.7726 1.0054 0.1476 -0.1199 0.1404 45 TRP A CD2 16 N NE1 . TRP A 2 ? 0.8372 0.7267 0.8700 0.1307 -0.1109 0.1365 45 TRP A NE1 17 C CE2 . TRP A 2 ? 0.9225 0.7976 0.9868 0.1521 -0.1225 0.1316 45 TRP A CE2 18 C CE3 . TRP A 2 ? 1.1209 0.9156 1.2023 0.1701 -0.1321 0.1344 45 TRP A CE3 19 C CZ2 . TRP A 2 ? 1.0467 0.9497 1.1453 0.1757 -0.1356 0.1205 45 TRP A CZ2 20 C CZ3 . TRP A 2 ? 1.2202 1.0422 1.3321 0.1989 -0.1425 0.1209 45 TRP A CZ3 21 C CH2 . TRP A 2 ? 1.1825 1.0628 1.3062 0.2002 -0.1434 0.1158 45 TRP A CH2 22 N N . LYS A 3 ? 0.6576 0.4685 0.6113 0.0604 -0.0687 0.2130 46 LYS A N 23 C CA . LYS A 3 ? 0.7186 0.5649 0.6396 0.0520 -0.0509 0.2178 46 LYS A CA 24 C C . LYS A 3 ? 0.6581 0.5331 0.5963 0.0434 -0.0283 0.1942 46 LYS A C 25 O O . LYS A 3 ? 0.6549 0.5192 0.6248 0.0365 -0.0245 0.1851 46 LYS A O 26 C CB . LYS A 3 ? 0.8439 0.6804 0.7341 0.0363 -0.0436 0.2572 46 LYS A CB 27 C CG . LYS A 3 ? 0.8871 0.7147 0.8011 0.0137 -0.0301 0.2711 46 LYS A CG 28 C CD . LYS A 3 ? 0.9575 0.7836 0.8455 -0.0045 -0.0216 0.3158 46 LYS A CD 29 C CE . LYS A 3 ? 0.7845 0.6078 0.7045 -0.0311 -0.0105 0.3319 46 LYS A CE 30 N NZ . LYS A 3 ? 0.9569 0.7811 0.8585 -0.0521 -0.0030 0.3791 46 LYS A NZ 31 N N . ASP A 4 ? 0.7341 0.6412 0.6480 0.0452 -0.0159 0.1836 47 ASP A N 32 C CA . ASP A 4 ? 0.7015 0.6341 0.6276 0.0391 0.0045 0.1635 47 ASP A CA 33 C C . ASP A 4 ? 0.6042 0.5402 0.5400 0.0215 0.0228 0.1825 47 ASP A C 34 O O . ASP A 4 ? 0.6194 0.5574 0.5326 0.0138 0.0300 0.2125 47 ASP A O 35 C CB . ASP A 4 ? 0.6862 0.6433 0.5765 0.0465 0.0115 0.1509 47 ASP A CB 36 C CG . ASP A 4 ? 0.7582 0.7167 0.6488 0.0584 -0.0086 0.1293 47 ASP A CG 37 O OD1 . ASP A 4 ? 0.8210 0.7673 0.7356 0.0642 -0.0267 0.1297 47 ASP A OD1 38 O OD2 . ASP A 4 ? 0.8199 0.7917 0.6882 0.0624 -0.0073 0.1122 47 ASP A OD2 39 N N . ALA A 5 ? 0.6168 0.5566 0.5873 0.0142 0.0297 0.1673 48 ALA A N 40 C CA . ALA A 5 ? 0.6725 0.6189 0.6613 -0.0047 0.0430 0.1848 48 ALA A CA 41 C C . ALA A 5 ? 0.5736 0.5379 0.5902 -0.0083 0.0529 0.1616 48 ALA A C 42 O O . ALA A 5 ? 0.5779 0.5360 0.6063 0.0007 0.0455 0.1341 48 ALA A O 43 C CB . ALA A 5 ? 0.6199 0.5262 0.6263 -0.0169 0.0265 0.2056 48 ALA A CB 44 N N . ASP A 6 ? 0.5155 0.5060 0.5435 -0.0215 0.0699 0.1753 49 ASP A N 45 C CA . ASP A 6 ? 0.5874 0.5943 0.6446 -0.0269 0.0767 0.1586 49 ASP A CA 46 C C . ASP A 6 ? 0.6043 0.5925 0.6952 -0.0483 0.0666 0.1725 49 ASP A C 47 O O . ASP A 6 ? 0.5867 0.5723 0.6827 -0.0649 0.0666 0.2045 49 ASP A O 48 C CB . ASP A 6 ? 0.5636 0.6171 0.6152 -0.0239 0.1008 0.1622 49 ASP A CB 49 C CG . ASP A 6 ? 0.5594 0.6225 0.5741 -0.0020 0.1069 0.1425 49 ASP A CG 50 O OD1 . ASP A 6 ? 0.5984 0.6397 0.6057 0.0072 0.0924 0.1200 49 ASP A OD1 51 O OD2 . ASP A 6 ? 0.7349 0.8279 0.7279 0.0062 0.1256 0.1494 49 ASP A OD2 52 N N . THR A 7 ? 0.5299 0.5030 0.6414 -0.0492 0.0565 0.1493 50 THR A N 53 C CA . THR A 7 ? 0.4989 0.4482 0.6383 -0.0692 0.0423 0.1570 50 THR A CA 54 C C . THR A 7 ? 0.4963 0.4563 0.6550 -0.0708 0.0417 0.1337 50 THR A C 55 O O . THR A 7 ? 0.5021 0.4786 0.6515 -0.0548 0.0498 0.1101 50 THR A O 56 C CB . THR A 7 ? 0.5693 0.4602 0.7030 -0.0663 0.0181 0.1530 50 THR A CB 57 O OG1 . THR A 7 ? 0.7011 0.5608 0.8569 -0.0873 0.0007 0.1605 50 THR A OG1 58 C CG2 . THR A 7 ? 0.4975 0.3755 0.6213 -0.0427 0.0129 0.1175 50 THR A CG2 59 N N . THR A 8 ? 0.4681 0.4164 0.6528 -0.0918 0.0294 0.1422 51 THR A N 60 C CA . THR A 8 ? 0.5450 0.4984 0.7455 -0.0949 0.0238 0.1219 51 THR A CA 61 C C . THR A 8 ? 0.4887 0.4002 0.6716 -0.0794 0.0091 0.0899 51 THR A C 62 O O . THR A 8 ? 0.6496 0.5121 0.8282 -0.0822 -0.0108 0.0872 51 THR A O 63 C CB . THR A 8 ? 0.6124 0.5636 0.8460 -0.1241 0.0098 0.1410 51 THR A CB 64 O OG1 . THR A 8 ? 0.6928 0.5938 0.9249 -0.1379 -0.0103 0.1564 51 THR A OG1 65 C CG2 . THR A 8 ? 0.5384 0.5517 0.7981 -0.1367 0.0299 0.1701 51 THR A CG2 66 N N . LEU A 9 ? 0.3906 0.3213 0.5627 -0.0623 0.0193 0.0666 52 LEU A N 67 C CA . LEU A 9 ? 0.3430 0.2471 0.4992 -0.0462 0.0110 0.0383 52 LEU A CA 68 C C . LEU A 9 ? 0.4795 0.3693 0.6409 -0.0541 -0.0019 0.0239 52 LEU A C 69 O O . LEU A 9 ? 0.4487 0.3590 0.6294 -0.0706 -0.0030 0.0338 52 LEU A O 70 C CB . LEU A 9 ? 0.3279 0.2607 0.4715 -0.0284 0.0267 0.0239 52 LEU A CB 71 C CG . LEU A 9 ? 0.4247 0.3747 0.5583 -0.0199 0.0376 0.0344 52 LEU A CG 72 C CD1 . LEU A 9 ? 0.3403 0.3121 0.4636 -0.0066 0.0469 0.0183 52 LEU A CD1 73 C CD2 . LEU A 9 ? 0.4250 0.3449 0.5510 -0.0133 0.0271 0.0404 52 LEU A CD2 74 N N . PHE A 10 ? 0.4059 0.2631 0.5492 -0.0405 -0.0121 0.0005 53 PHE A N 75 C CA . PHE A 10 ? 0.4536 0.2987 0.5903 -0.0429 -0.0229 -0.0179 53 PHE A CA 76 C C . PHE A 10 ? 0.4680 0.3284 0.5850 -0.0220 -0.0107 -0.0400 53 PHE A C 77 O O . PHE A 10 ? 0.4283 0.3044 0.5409 -0.0071 0.0028 -0.0415 53 PHE A O 78 C CB . PHE A 10 ? 0.4355 0.2222 0.5630 -0.0477 -0.0493 -0.0262 53 PHE A CB 79 C CG . PHE A 10 ? 0.6011 0.3503 0.7046 -0.0225 -0.0532 -0.0442 53 PHE A CG 80 C CD1 . PHE A 10 ? 0.6863 0.4153 0.7934 -0.0179 -0.0561 -0.0310 53 PHE A CD1 81 C CD2 . PHE A 10 ? 0.5624 0.2982 0.6392 -0.0016 -0.0541 -0.0734 53 PHE A CD2 82 C CE1 . PHE A 10 ? 0.6282 0.3249 0.7171 0.0090 -0.0608 -0.0475 53 PHE A CE1 83 C CE2 . PHE A 10 ? 0.5662 0.2741 0.6240 0.0260 -0.0555 -0.0903 53 PHE A CE2 84 C CZ . PHE A 10 ? 0.5943 0.2826 0.6604 0.0321 -0.0596 -0.0778 53 PHE A CZ 85 N N . CYS A 11 ? 0.3601 0.2182 0.4658 -0.0227 -0.0164 -0.0549 54 CYS A N 86 C CA . CYS A 11 ? 0.3235 0.1998 0.4103 -0.0062 -0.0037 -0.0712 54 CYS A CA 87 C C . CYS A 11 ? 0.5061 0.3504 0.5625 0.0083 -0.0130 -0.0953 54 CYS A C 88 O O . CYS A 11 ? 0.4667 0.2702 0.5134 0.0025 -0.0342 -0.1028 54 CYS A O 89 C CB . CYS A 11 ? 0.3153 0.2257 0.4087 -0.0152 0.0032 -0.0658 54 CYS A CB 90 S SG . CYS A 11 ? 0.5032 0.4022 0.5997 -0.0332 -0.0181 -0.0661 54 CYS A SG 91 N N . ALA A 12 ? 0.4772 0.3407 0.5179 0.0271 0.0025 -0.1070 55 ALA A N 92 C CA . ALA A 12 ? 0.5407 0.3841 0.5478 0.0462 0.0001 -0.1304 55 ALA A CA 93 C C . ALA A 12 ? 0.5424 0.4233 0.5357 0.0508 0.0168 -0.1334 55 ALA A C 94 O O . ALA A 12 ? 0.4981 0.4179 0.5097 0.0465 0.0325 -0.1198 55 ALA A O 95 C CB . ALA A 12 ? 0.5134 0.3429 0.5162 0.0710 0.0041 -0.1403 55 ALA A CB 96 N N . SER A 13 ? 0.4804 0.3460 0.4379 0.0590 0.0118 -0.1506 56 SER A N 97 C CA . SER A 13 ? 0.4672 0.3661 0.4065 0.0619 0.0268 -0.1503 56 SER A CA 98 C C . SER A 13 ? 0.6443 0.5252 0.5346 0.0820 0.0260 -0.1733 56 SER A C 99 O O . SER A 13 ? 0.7085 0.5443 0.5768 0.0937 0.0102 -0.1927 56 SER A O 100 C CB . SER A 13 ? 0.5566 0.4660 0.5046 0.0387 0.0190 -0.1362 56 SER A CB 101 O OG . SER A 13 ? 0.7179 0.5939 0.6429 0.0322 -0.0042 -0.1466 56 SER A OG 102 N N . ASP A 14 ? 0.5601 0.4739 0.4303 0.0860 0.0425 -0.1707 57 ASP A N 103 C CA . ASP A 14 ? 0.6779 0.5813 0.4940 0.1055 0.0449 -0.1905 57 ASP A CA 104 C C . ASP A 14 ? 0.6721 0.5680 0.4608 0.0892 0.0312 -0.1870 57 ASP A C 105 O O . ASP A 14 ? 0.7631 0.6736 0.5112 0.0983 0.0415 -0.1904 57 ASP A O 106 C CB . ASP A 14 ? 0.7377 0.6913 0.5491 0.1246 0.0771 -0.1871 57 ASP A CB 107 C CG . ASP A 14 ? 0.7324 0.6952 0.5759 0.1386 0.0875 -0.1856 57 ASP A CG 108 O OD1 . ASP A 14 ? 0.7484 0.6679 0.5871 0.1478 0.0720 -0.1993 57 ASP A OD1 109 O OD2 . ASP A 14 ? 0.6647 0.6769 0.5390 0.1387 0.1085 -0.1690 57 ASP A OD2 110 N N . ALA A 15 ? 0.6075 0.4840 0.4196 0.0657 0.0080 -0.1783 58 ALA A N 111 C CA . ALA A 15 ? 0.6293 0.5005 0.4246 0.0497 -0.0094 -0.1727 58 ALA A CA 112 C C . ALA A 15 ? 0.6617 0.4958 0.3950 0.0615 -0.0269 -0.1970 58 ALA A C 113 O O . ALA A 15 ? 0.8124 0.6082 0.5226 0.0770 -0.0362 -0.2204 58 ALA A O 114 C CB . ALA A 15 ? 0.5513 0.4136 0.3902 0.0257 -0.0309 -0.1597 58 ALA A CB 115 N N . LYS A 16 ? 0.6952 0.5363 0.3977 0.0552 -0.0336 -0.1918 59 LYS A N 116 C CA . LYS A 16 ? 0.8262 0.6316 0.4617 0.0657 -0.0529 -0.2145 59 LYS A CA 117 C C . LYS A 16 ? 0.7334 0.5076 0.3750 0.0433 -0.0941 -0.2145 59 LYS A C 118 O O . LYS A 16 ? 0.6922 0.4904 0.3674 0.0233 -0.1011 -0.1916 59 LYS A O 119 C CB . LYS A 16 ? 0.9056 0.7400 0.4932 0.0754 -0.0337 -0.2080 59 LYS A CB 120 C CG . LYS A 16 ? 1.0162 0.8906 0.6009 0.0959 0.0074 -0.2050 59 LYS A CG 121 C CD . LYS A 16 ? 1.2488 1.1561 0.7901 0.1001 0.0267 -0.1920 59 LYS A CD 122 C CE . LYS A 16 ? 1.3565 1.3131 0.9141 0.1127 0.0674 -0.1812 59 LYS A CE 123 N NZ . LYS A 16 ? 1.4140 1.4049 0.9366 0.1112 0.0868 -0.1626 59 LYS A NZ 124 N N . ALA A 17 ? 0.7930 0.5209 0.4129 0.0453 -0.1192 -0.2349 60 ALA A N 125 C CA . ALA A 17 ? 0.8120 0.5147 0.4479 0.0211 -0.1594 -0.2321 60 ALA A CA 126 C C . ALA A 17 ? 0.9236 0.6335 0.5251 0.0143 -0.1766 -0.2273 60 ALA A C 127 O O . ALA A 17 ? 0.9366 0.6467 0.5664 -0.0083 -0.2064 -0.2157 60 ALA A O 128 C CB . ALA A 17 ? 0.8819 0.5397 0.5095 0.0237 -0.1775 -0.2481 60 ALA A CB 129 N N . HIS A 18 ? 0.9425 0.6633 0.4870 0.0337 -0.1569 -0.2329 61 HIS A N 130 C CA . HIS A 18 ? 0.9552 0.6802 0.4586 0.0295 -0.1724 -0.2274 61 HIS A CA 131 C C . HIS A 18 ? 0.8966 0.6574 0.4066 0.0225 -0.1636 -0.2033 61 HIS A C 132 O O . HIS A 18 ? 1.0927 0.8584 0.5810 0.0147 -0.1816 -0.1919 61 HIS A O 133 C CB . HIS A 18 ? 1.0276 0.7462 0.4628 0.0523 -0.1567 -0.2429 61 HIS A CB 134 C CG . HIS A 18 ? 1.1526 0.9075 0.5726 0.0721 -0.1109 -0.2380 61 HIS A CG 135 N ND1 . HIS A 18 ? 1.2678 1.0604 0.6703 0.0712 -0.0919 -0.2166 61 HIS A ND1 136 C CD2 . HIS A 18 ? 1.1913 0.9540 0.6163 0.0918 -0.0810 -0.2482 61 HIS A CD2 137 C CE1 . HIS A 18 ? 1.3123 1.1378 0.7132 0.0871 -0.0511 -0.2127 61 HIS A CE1 138 N NE2 . HIS A 18 ? 1.2867 1.0968 0.7029 0.1006 -0.0439 -0.2322 61 HIS A NE2 139 N N . GLU A 19 ? 0.8187 0.6141 0.3777 0.0231 -0.1305 -0.1874 62 GLU A N 140 C CA . GLU A 19 ? 0.8222 0.6606 0.4123 0.0143 -0.1124 -0.1558 62 GLU A CA 141 C C . GLU A 19 ? 0.7931 0.6405 0.4429 -0.0071 -0.1368 -0.1372 62 GLU A C 142 O O . GLU A 19 ? 0.7415 0.5825 0.4401 -0.0170 -0.1492 -0.1403 62 GLU A O 143 C CB . GLU A 19 ? 0.8387 0.7087 0.4635 0.0208 -0.0724 -0.1461 62 GLU A CB 144 C CG . GLU A 19 ? 0.9792 0.8854 0.6320 0.0115 -0.0553 -0.1152 62 GLU A CG 145 C CD . GLU A 19 ? 1.0063 0.9213 0.6026 0.0150 -0.0496 -0.1036 62 GLU A CD 146 O OE1 . GLU A 19 ? 1.2527 1.1632 0.7897 0.0309 -0.0386 -0.1183 62 GLU A OE1 147 O OE2 . GLU A 19 ? 0.9781 0.9037 0.5871 0.0034 -0.0561 -0.0793 62 GLU A OE2 148 N N . THR A 20 ? 0.8057 0.6699 0.4519 -0.0129 -0.1432 -0.1162 63 THR A N 149 C CA . THR A 20 ? 0.6607 0.5395 0.3632 -0.0276 -0.1648 -0.0977 63 THR A CA 150 C C . THR A 20 ? 0.7055 0.6154 0.4660 -0.0293 -0.1391 -0.0769 63 THR A C 151 O O . THR A 20 ? 0.6654 0.5918 0.4789 -0.0367 -0.1503 -0.0629 63 THR A O 152 C CB . THR A 20 ? 0.7030 0.5800 0.3732 -0.0303 -0.1907 -0.0856 63 THR A CB 153 O OG1 . THR A 20 ? 0.7764 0.6631 0.4080 -0.0225 -0.1674 -0.0709 63 THR A OG1 154 C CG2 . THR A 20 ? 0.7810 0.6239 0.3931 -0.0301 -0.2236 -0.1076 63 THR A CG2 155 N N . GLU A 21 ? 0.6773 0.5962 0.4268 -0.0214 -0.1055 -0.0752 64 GLU A N 156 C CA . GLU A 21 ? 0.5894 0.5309 0.3871 -0.0232 -0.0833 -0.0590 64 GLU A CA 157 C C . GLU A 21 ? 0.5685 0.5154 0.4241 -0.0277 -0.0851 -0.0635 64 GLU A C 158 O O . GLU A 21 ? 0.5545 0.4887 0.4094 -0.0268 -0.0856 -0.0803 64 GLU A O 159 C CB . GLU A 21 ? 0.5453 0.4970 0.3232 -0.0164 -0.0505 -0.0579 64 GLU A CB 160 C CG . GLU A 21 ? 0.5798 0.5496 0.3958 -0.0206 -0.0325 -0.0392 64 GLU A CG 161 C CD . GLU A 21 ? 0.6301 0.6063 0.4967 -0.0208 -0.0247 -0.0451 64 GLU A CD 162 O OE1 . GLU A 21 ? 0.4838 0.4544 0.3499 -0.0164 -0.0212 -0.0621 64 GLU A OE1 163 O OE2 . GLU A 21 ? 0.6551 0.6388 0.5579 -0.0239 -0.0231 -0.0330 64 GLU A OE2 164 N N . VAL A 22 ? 0.4282 0.3928 0.3311 -0.0311 -0.0860 -0.0478 65 VAL A N 165 C CA . VAL A 22 ? 0.3932 0.3697 0.3508 -0.0359 -0.0902 -0.0473 65 VAL A CA 166 C C . VAL A 22 ? 0.4976 0.4743 0.4722 -0.0347 -0.0695 -0.0553 65 VAL A C 167 O O . VAL A 22 ? 0.4968 0.4736 0.5001 -0.0410 -0.0767 -0.0587 65 VAL A O 168 C CB . VAL A 22 ? 0.5112 0.5104 0.5112 -0.0338 -0.0916 -0.0295 65 VAL A CB 169 C CG1 . VAL A 22 ? 0.4512 0.4533 0.4480 -0.0351 -0.1195 -0.0211 65 VAL A CG1 170 C CG2 . VAL A 22 ? 0.4955 0.4951 0.4889 -0.0264 -0.0698 -0.0211 65 VAL A CG2 171 N N . HIS A 23 ? 0.3536 0.3316 0.3128 -0.0280 -0.0457 -0.0556 66 HIS A N 172 C CA . HIS A 23 ? 0.4647 0.4430 0.4372 -0.0251 -0.0282 -0.0629 66 HIS A CA 173 C C . HIS A 23 ? 0.5093 0.4652 0.4558 -0.0223 -0.0347 -0.0816 66 HIS A C 174 O O . HIS A 23 ? 0.4330 0.3805 0.3992 -0.0238 -0.0357 -0.0876 66 HIS A O 175 C CB . HIS A 23 ? 0.4171 0.4058 0.3820 -0.0198 -0.0047 -0.0577 66 HIS A CB 176 C CG . HIS A 23 ? 0.4894 0.4893 0.4777 -0.0216 -0.0005 -0.0425 66 HIS A CG 177 N ND1 . HIS A 23 ? 0.5334 0.5315 0.5095 -0.0229 -0.0078 -0.0308 66 HIS A ND1 178 C CD2 . HIS A 23 ? 0.4895 0.4975 0.5077 -0.0203 0.0087 -0.0381 66 HIS A CD2 179 C CE1 . HIS A 23 ? 0.5193 0.5206 0.5179 -0.0214 -0.0041 -0.0215 66 HIS A CE1 180 N NE2 . HIS A 23 ? 0.4651 0.4731 0.4876 -0.0194 0.0063 -0.0268 66 HIS A NE2 181 N N . ASN A 24 ? 0.4683 0.4115 0.3668 -0.0170 -0.0398 -0.0908 67 ASN A N 182 C CA . ASN A 24 ? 0.5502 0.4646 0.4138 -0.0103 -0.0495 -0.1128 67 ASN A CA 183 C C . ASN A 24 ? 0.5919 0.4843 0.4728 -0.0224 -0.0799 -0.1183 67 ASN A C 184 O O . ASN A 24 ? 0.6125 0.4789 0.4932 -0.0214 -0.0872 -0.1319 67 ASN A O 185 C CB . ASN A 24 ? 0.5808 0.4873 0.3830 -0.0011 -0.0507 -0.1210 67 ASN A CB 186 C CG . ASN A 24 ? 0.5833 0.5114 0.3651 0.0118 -0.0189 -0.1185 67 ASN A CG 187 O OD1 . ASN A 24 ? 0.6644 0.5861 0.4222 0.0277 -0.0068 -0.1353 67 ASN A OD1 188 N ND2 . ASN A 24 ? 0.6049 0.5590 0.3981 0.0054 -0.0063 -0.0967 67 ASN A ND2 189 N N . VAL A 25 ? 0.4809 0.3839 0.3795 -0.0345 -0.0991 -0.1058 68 VAL A N 190 C CA . VAL A 25 ? 0.5666 0.4587 0.4907 -0.0502 -0.1302 -0.1058 68 VAL A CA 191 C C . VAL A 25 ? 0.5530 0.4559 0.5331 -0.0595 -0.1241 -0.0964 68 VAL A C 192 O O . VAL A 25 ? 0.5989 0.4777 0.5884 -0.0700 -0.1425 -0.1027 68 VAL A O 193 C CB . VAL A 25 ? 0.5917 0.5049 0.5325 -0.0591 -0.1502 -0.0906 68 VAL A CB 194 C CG1 . VAL A 25 ? 0.6278 0.5449 0.6138 -0.0783 -0.1796 -0.0843 68 VAL A CG1 195 C CG2 . VAL A 25 ? 0.6410 0.5363 0.5194 -0.0526 -0.1638 -0.0995 68 VAL A CG2 196 N N . TRP A 26 ? 0.4215 0.3572 0.4348 -0.0558 -0.0996 -0.0807 69 TRP A N 197 C CA . TRP A 26 ? 0.5299 0.4805 0.5905 -0.0624 -0.0902 -0.0696 69 TRP A CA 198 C C . TRP A 26 ? 0.5411 0.4626 0.5879 -0.0585 -0.0836 -0.0819 69 TRP A C 199 O O . TRP A 26 ? 0.4687 0.3768 0.5376 -0.0705 -0.0958 -0.0791 69 TRP A O 200 C CB . TRP A 26 ? 0.4243 0.4091 0.5093 -0.0546 -0.0652 -0.0550 69 TRP A CB 201 C CG . TRP A 26 ? 0.4217 0.4243 0.5483 -0.0592 -0.0541 -0.0430 69 TRP A CG 202 C CD1 . TRP A 26 ? 0.3594 0.3916 0.5318 -0.0687 -0.0593 -0.0263 69 TRP A CD1 203 C CD2 . TRP A 26 ? 0.3909 0.3867 0.5160 -0.0537 -0.0356 -0.0449 69 TRP A CD2 204 N NE1 . TRP A 26 ? 0.3167 0.3599 0.5116 -0.0698 -0.0433 -0.0172 69 TRP A NE1 205 C CE2 . TRP A 26 ? 0.4255 0.4440 0.5907 -0.0609 -0.0303 -0.0287 69 TRP A CE2 206 C CE3 . TRP A 26 ? 0.4021 0.3794 0.4976 -0.0427 -0.0229 -0.0572 69 TRP A CE3 207 C CZ2 . TRP A 26 ? 0.3851 0.4023 0.5554 -0.0579 -0.0148 -0.0247 69 TRP A CZ2 208 C CZ3 . TRP A 26 ? 0.4043 0.3821 0.5108 -0.0394 -0.0093 -0.0537 69 TRP A CZ3 209 C CH2 . TRP A 26 ? 0.3494 0.3441 0.4900 -0.0473 -0.0063 -0.0378 69 TRP A CH2 210 N N . ALA A 27 ? 0.3749 0.2881 0.3872 -0.0418 -0.0652 -0.0936 70 ALA A N 211 C CA . ALA A 27 ? 0.5351 0.4248 0.5354 -0.0323 -0.0572 -0.1056 70 ALA A CA 212 C C . ALA A 27 ? 0.5396 0.3818 0.5109 -0.0326 -0.0819 -0.1250 70 ALA A C 213 O O . ALA A 27 ? 0.5621 0.3766 0.5360 -0.0301 -0.0854 -0.1312 70 ALA A O 214 C CB . ALA A 27 ? 0.5355 0.4374 0.5113 -0.0138 -0.0318 -0.1117 70 ALA A CB 215 N N . THR A 28 ? 0.4889 0.3170 0.4291 -0.0348 -0.1014 -0.1350 71 THR A N 216 C CA . THR A 28 ? 0.5593 0.3350 0.4641 -0.0350 -0.1301 -0.1567 71 THR A CA 217 C C . THR A 28 ? 0.6645 0.4204 0.6093 -0.0588 -0.1563 -0.1474 71 THR A C 218 O O . THR A 28 ? 0.6447 0.3502 0.5735 -0.0588 -0.1748 -0.1620 71 THR A O 219 C CB . THR A 28 ? 0.7287 0.4950 0.5901 -0.0349 -0.1497 -0.1673 71 THR A CB 220 O OG1 . THR A 28 ? 0.6914 0.4747 0.5113 -0.0137 -0.1243 -0.1736 71 THR A OG1 221 C CG2 . THR A 28 ? 0.7558 0.4609 0.5760 -0.0356 -0.1845 -0.1925 71 THR A CG2 222 N N . HIS A 29 ? 0.5583 0.3545 0.5561 -0.0786 -0.1575 -0.1218 72 HIS A N 223 C CA . HIS A 29 ? 0.6108 0.4021 0.6548 -0.1049 -0.1797 -0.1060 72 HIS A CA 224 C C . HIS A 29 ? 0.6282 0.4387 0.7130 -0.1079 -0.1576 -0.0868 72 HIS A C 225 O O . HIS A 29 ? 0.7265 0.5248 0.8428 -0.1284 -0.1729 -0.0733 72 HIS A O 226 C CB . HIS A 29 ? 0.6754 0.5061 0.7574 -0.1244 -0.1961 -0.0876 72 HIS A CB 227 C CG . HIS A 29 ? 0.8861 0.6960 0.9290 -0.1250 -0.2247 -0.1037 72 HIS A CG 228 N ND1 . HIS A 29 ? 0.8981 0.7212 0.9030 -0.1066 -0.2126 -0.1116 72 HIS A ND1 229 C CD2 . HIS A 29 ? 0.8732 0.6597 0.9044 -0.1356 -0.2530 -0.1066 72 HIS A CD2 230 C CE1 . HIS A 29 ? 0.9218 0.7204 0.8920 -0.1112 -0.2448 -0.1244 72 HIS A CE1 231 N NE2 . HIS A 29 ? 0.9324 0.7122 0.9190 -0.1265 -0.2654 -0.1206 72 HIS A NE2 232 N N . ALA A 30 ? 0.4990 0.3383 0.5815 -0.0893 -0.1235 -0.0840 73 ALA A N 233 C CA . ALA A 30 ? 0.5578 0.4196 0.6743 -0.0907 -0.1024 -0.0652 73 ALA A CA 234 C C . ALA A 30 ? 0.6049 0.4418 0.6977 -0.0719 -0.0872 -0.0764 73 ALA A C 235 O O . ALA A 30 ? 0.5772 0.4231 0.6921 -0.0736 -0.0752 -0.0617 73 ALA A O 236 C CB . ALA A 30 ? 0.4312 0.3498 0.5733 -0.0869 -0.0789 -0.0488 73 ALA A CB 237 N N . CYS A 31 ? 0.5649 0.3741 0.6129 -0.0526 -0.0876 -0.1013 74 CYS A N 238 C CA . CYS A 31 ? 0.5119 0.3063 0.5415 -0.0306 -0.0720 -0.1121 74 CYS A CA 239 C C . CYS A 31 ? 0.6278 0.3640 0.6181 -0.0171 -0.0903 -0.1378 74 CYS A C 240 O O . CYS A 31 ? 0.6448 0.3490 0.6129 -0.0241 -0.1154 -0.1508 74 CYS A O 241 C CB . CYS A 31 ? 0.4770 0.3093 0.4942 -0.0126 -0.0442 -0.1153 74 CYS A CB 242 S SG . CYS A 31 ? 0.4976 0.3863 0.5517 -0.0226 -0.0244 -0.0904 74 CYS A SG 243 N N . VAL A 32 ? 0.6565 0.3779 0.6372 0.0042 -0.0794 -0.1460 75 VAL A N 244 C CA . VAL A 32 ? 0.5935 0.2603 0.5341 0.0262 -0.0926 -0.1734 75 VAL A CA 245 C C . VAL A 32 ? 0.6255 0.3182 0.5367 0.0583 -0.0665 -0.1904 75 VAL A C 246 O O . VAL A 32 ? 0.6564 0.4043 0.5852 0.0593 -0.0409 -0.1774 75 VAL A O 247 C CB . VAL A 32 ? 0.6157 0.2526 0.5708 0.0281 -0.0988 -0.1642 75 VAL A CB 248 C CG1 . VAL A 32 ? 0.7978 0.4135 0.7795 -0.0056 -0.1234 -0.1434 75 VAL A CG1 249 C CG2 . VAL A 32 ? 0.5643 0.2347 0.5460 0.0390 -0.0753 -0.1520 75 VAL A CG2 250 N N . PRO A 33 ? 0.6869 0.3577 0.5594 0.0789 -0.0672 -0.2082 76 PRO A N 251 C CA . PRO A 33 ? 0.6487 0.3543 0.5009 0.1078 -0.0388 -0.2182 76 PRO A CA 252 C C . PRO A 33 ? 0.6596 0.3948 0.5429 0.1221 -0.0180 -0.2083 76 PRO A C 253 O O . PRO A 33 ? 0.6487 0.3592 0.5535 0.1191 -0.0288 -0.2006 76 PRO A O 254 C CB . PRO A 33 ? 0.7378 0.4070 0.5504 0.1260 -0.0481 -0.2379 76 PRO A CB 255 C CG . PRO A 33 ? 0.7677 0.3907 0.5684 0.1032 -0.0816 -0.2408 76 PRO A CG 256 C CD . PRO A 33 ? 0.7225 0.3420 0.5690 0.0750 -0.0940 -0.2193 76 PRO A CD 257 N N . THR A 34 ? 0.6913 0.4806 0.5780 0.1354 0.0099 -0.2055 77 THR A N 258 C CA . THR A 34 ? 0.6406 0.4657 0.5594 0.1480 0.0283 -0.1945 77 THR A CA 259 C C . THR A 34 ? 0.6884 0.4947 0.5999 0.1725 0.0282 -0.2035 77 THR A C 260 O O . THR A 34 ? 0.7011 0.4761 0.5787 0.1835 0.0201 -0.2204 77 THR A O 261 C CB . THR A 34 ? 0.5392 0.4310 0.4670 0.1518 0.0566 -0.1856 77 THR A CB 262 O OG1 . THR A 34 ? 0.6038 0.5057 0.4985 0.1665 0.0681 -0.1965 77 THR A OG1 263 C CG2 . THR A 34 ? 0.4896 0.4029 0.4274 0.1281 0.0571 -0.1754 77 THR A CG2 264 N N . ASP A 35 ? 0.7733 0.5992 0.7165 0.1820 0.0357 -0.1927 78 ASP A N 265 C CA . ASP A 35 ? 0.7424 0.5582 0.6850 0.2080 0.0368 -0.1999 78 ASP A CA 266 C C . ASP A 35 ? 0.7362 0.6123 0.6842 0.2262 0.0642 -0.2003 78 ASP A C 267 O O . ASP A 35 ? 0.7356 0.6661 0.7150 0.2203 0.0803 -0.1842 78 ASP A O 268 C CB . ASP A 35 ? 0.6356 0.4419 0.6104 0.2088 0.0280 -0.1861 78 ASP A CB 269 C CG . ASP A 35 ? 0.7917 0.5669 0.7615 0.2339 0.0196 -0.1946 78 ASP A CG 270 O OD1 . ASP A 35 ? 0.7827 0.5711 0.7375 0.2573 0.0310 -0.2087 78 ASP A OD1 271 O OD2 . ASP A 35 ? 0.8854 0.6223 0.8654 0.2305 0.0014 -0.1863 78 ASP A OD2 272 N N . PRO A 36 ? 0.7953 0.6626 0.7133 0.2473 0.0686 -0.2180 79 PRO A N 273 C CA . PRO A 36 ? 0.8669 0.7924 0.7897 0.2652 0.0952 -0.2177 79 PRO A CA 274 C C . PRO A 36 ? 0.9464 0.9061 0.9108 0.2821 0.1040 -0.2081 79 PRO A C 275 O O . PRO A 36 ? 0.9648 0.9889 0.9562 0.2834 0.1252 -0.1959 79 PRO A O 276 C CB . PRO A 36 ? 0.9331 0.8262 0.8087 0.2871 0.0921 -0.2420 79 PRO A CB 277 C CG . PRO A 36 ? 0.9848 0.8014 0.8432 0.2869 0.0617 -0.2539 79 PRO A CG 278 C CD . PRO A 36 ? 0.9202 0.7216 0.7973 0.2547 0.0473 -0.2387 79 PRO A CD 279 N N . ASN A 37 ? 0.9402 0.8567 0.9106 0.2933 0.0860 -0.2121 80 ASN A N 280 C CA . ASN A 37 ? 0.8663 0.8094 0.8753 0.3106 0.0898 -0.2029 80 ASN A CA 281 C C . ASN A 37 ? 0.7461 0.6696 0.7814 0.2957 0.0727 -0.1867 80 ASN A C 282 O O . ASN A 37 ? 0.7081 0.5860 0.7421 0.3072 0.0548 -0.1893 80 ASN A O 283 C CB . ASN A 37 ? 0.9750 0.8866 0.9670 0.3450 0.0845 -0.2214 80 ASN A CB 284 C CG . ASN A 37 ? 1.2294 1.1663 1.1955 0.3659 0.1037 -0.2375 80 ASN A CG 285 O OD1 . ASN A 37 ? 1.3016 1.2640 1.2513 0.3520 0.1167 -0.2368 80 ASN A OD1 286 N ND2 . ASN A 37 ? 1.4420 1.3713 1.4023 0.4009 0.1055 -0.2516 80 ASN A ND2 287 N N . PRO A 38 ? 0.7086 0.6652 0.7656 0.2707 0.0774 -0.1694 81 PRO A N 288 C CA . PRO A 38 ? 0.7842 0.7222 0.8605 0.2568 0.0612 -0.1545 81 PRO A CA 289 C C . PRO A 38 ? 0.8377 0.8014 0.9500 0.2729 0.0597 -0.1427 81 PRO A C 290 O O . PRO A 38 ? 0.8853 0.9097 1.0251 0.2812 0.0757 -0.1371 81 PRO A O 291 C CB . PRO A 38 ? 0.5445 0.5195 0.6319 0.2301 0.0699 -0.1423 81 PRO A CB 292 C CG . PRO A 38 ? 0.6116 0.6452 0.7058 0.2332 0.0931 -0.1421 81 PRO A CG 293 C CD . PRO A 38 ? 0.5369 0.5499 0.6011 0.2551 0.0973 -0.1618 81 PRO A CD 294 N N . GLN A 39 ? 0.8342 0.7518 0.9473 0.2756 0.0388 -0.1371 82 GLN A N 295 C CA . GLN A 39 ? 0.9621 0.8982 1.1066 0.2913 0.0329 -0.1246 82 GLN A CA 296 C C . GLN A 39 ? 0.9020 0.8784 1.0752 0.2735 0.0316 -0.1044 82 GLN A C 297 O O . GLN A 39 ? 0.8565 0.8187 1.0203 0.2503 0.0266 -0.0995 82 GLN A O 298 C CB . GLN A 39 ? 1.0877 0.9538 1.2174 0.3013 0.0091 -0.1245 82 GLN A CB 299 C CG . GLN A 39 ? 1.3525 1.1734 1.4529 0.3209 0.0057 -0.1458 82 GLN A CG 300 C CD . GLN A 39 ? 1.5343 1.2815 1.6202 0.3259 -0.0207 -0.1433 82 GLN A CD 301 O OE1 . GLN A 39 ? 1.5505 1.2734 1.6419 0.3085 -0.0364 -0.1244 82 GLN A OE1 302 N NE2 . GLN A 39 ? 1.6395 1.3497 1.7053 0.3496 -0.0263 -0.1613 82 GLN A NE2 303 N N . GLU A 40 ? 0.8473 0.8750 1.0569 0.2848 0.0345 -0.0935 83 GLU A N 304 C CA . GLU A 40 ? 0.6524 0.7182 0.8890 0.2699 0.0285 -0.0752 83 GLU A CA 305 C C . GLU A 40 ? 0.6903 0.7729 0.9562 0.2881 0.0154 -0.0627 83 GLU A C 306 O O . GLU A 40 ? 0.7652 0.8879 1.0577 0.3059 0.0240 -0.0641 83 GLU A O 307 C CB . GLU A 40 ? 0.5594 0.6921 0.8162 0.2533 0.0469 -0.0721 83 GLU A CB 308 C CG . GLU A 40 ? 0.5646 0.7384 0.8494 0.2368 0.0379 -0.0552 83 GLU A CG 309 C CD . GLU A 40 ? 0.5286 0.7562 0.8281 0.2140 0.0529 -0.0513 83 GLU A CD 310 O OE1 . GLU A 40 ? 0.5578 0.7959 0.8487 0.2131 0.0717 -0.0594 83 GLU A OE1 311 O OE2 . GLU A 40 ? 0.4270 0.6835 0.7440 0.1961 0.0439 -0.0399 83 GLU A OE2 312 N N . ILE A 41 ? 0.6804 0.7326 0.9416 0.2835 -0.0063 -0.0495 84 ILE A N 313 C CA . ILE A 41 ? 0.6191 0.6824 0.9033 0.2993 -0.0229 -0.0348 84 ILE A CA 314 C C . ILE A 41 ? 0.5096 0.6255 0.8196 0.2845 -0.0316 -0.0191 84 ILE A C 315 O O . ILE A 41 ? 0.4290 0.5278 0.7235 0.2652 -0.0421 -0.0132 84 ILE A O 316 C CB . ILE A 41 ? 0.5879 0.5762 0.8449 0.3046 -0.0455 -0.0269 84 ILE A CB 317 C CG1 . ILE A 41 ? 0.6581 0.5872 0.8867 0.3148 -0.0419 -0.0435 84 ILE A CG1 318 C CG2 . ILE A 41 ? 0.5527 0.5523 0.8309 0.3226 -0.0631 -0.0106 84 ILE A CG2 319 C CD1 . ILE A 41 ? 0.7499 0.6014 0.9522 0.3140 -0.0649 -0.0335 84 ILE A CD1 320 N N . HIS A 42 ? 0.4249 0.6044 0.7765 0.2923 -0.0290 -0.0128 85 HIS A N 321 C CA . HIS A 42 ? 0.4751 0.7048 0.8534 0.2775 -0.0430 0.0025 85 HIS A CA 322 C C . HIS A 42 ? 0.4521 0.6584 0.8269 0.2876 -0.0721 0.0188 85 HIS A C 323 O O . HIS A 42 ? 0.4620 0.6642 0.8509 0.3112 -0.0778 0.0235 85 HIS A O 324 C CB . HIS A 42 ? 0.4256 0.7324 0.8546 0.2758 -0.0318 0.0047 85 HIS A CB 325 C CG . HIS A 42 ? 0.5254 0.8598 0.9550 0.2567 -0.0073 -0.0053 85 HIS A CG 326 N ND1 . HIS A 42 ? 0.5402 0.9060 0.9758 0.2266 -0.0089 0.0005 85 HIS A ND1 327 C CD2 . HIS A 42 ? 0.4900 0.8218 0.9101 0.2628 0.0178 -0.0197 85 HIS A CD2 328 C CE1 . HIS A 42 ? 0.5441 0.9245 0.9756 0.2143 0.0147 -0.0079 85 HIS A CE1 329 N NE2 . HIS A 42 ? 0.5608 0.9222 0.9816 0.2362 0.0312 -0.0201 85 HIS A NE2 330 N N . LEU A 43 ? 0.4909 0.6787 0.8444 0.2688 -0.0909 0.0276 86 LEU A N 331 C CA . LEU A 43 ? 0.5898 0.7445 0.9259 0.2727 -0.1187 0.0459 86 LEU A CA 332 C C . LEU A 43 ? 0.6295 0.8420 1.0002 0.2746 -0.1390 0.0592 86 LEU A C 333 O O . LEU A 43 ? 0.7080 0.9617 1.0894 0.2499 -0.1414 0.0609 86 LEU A O 334 C CB . LEU A 43 ? 0.5733 0.6769 0.8549 0.2404 -0.1207 0.0547 86 LEU A CB 335 C CG . LEU A 43 ? 0.6172 0.6692 0.8679 0.2311 -0.1019 0.0449 86 LEU A CG 336 C CD1 . LEU A 43 ? 0.5818 0.5965 0.7861 0.2010 -0.1026 0.0573 86 LEU A CD1 337 C CD2 . LEU A 43 ? 0.6329 0.6371 0.8830 0.2603 -0.1074 0.0416 86 LEU A CD2 338 N N . GLU A 44 ? 0.6321 0.8424 1.0133 0.2971 -0.1509 0.0708 87 GLU A N 339 C CA . GLU A 44 ? 0.7361 1.0017 1.1500 0.2997 -0.1706 0.0856 87 GLU A CA 340 C C . GLU A 44 ? 0.8206 1.0595 1.1987 0.2850 -0.2028 0.1010 87 GLU A C 341 O O . GLU A 44 ? 0.8123 0.9855 1.1461 0.2877 -0.2121 0.1096 87 GLU A O 342 C CB . GLU A 44 ? 0.8262 1.1014 1.2700 0.3319 -0.1701 0.0924 87 GLU A CB 343 C CG . GLU A 44 ? 0.9778 1.3112 1.4573 0.3375 -0.1921 0.1105 87 GLU A CG 344 C CD . GLU A 44 ? 1.0840 1.4151 1.5902 0.3712 -0.1958 0.1194 87 GLU A CD 345 O OE1 . GLU A 44 ? 1.1382 1.4183 1.6310 0.3901 -0.1819 0.1087 87 GLU A OE1 346 O OE2 . GLU A 44 ? 1.0672 1.4458 1.6042 0.3787 -0.2140 0.1353 87 GLU A OE2 347 N N . ASN A 45 ? 0.9036 1.1916 1.2982 0.2668 -0.2197 0.1059 88 ASN A N 348 C CA . ASN A 45 ? 0.9857 1.2529 1.3433 0.2516 -0.2517 0.1203 88 ASN A CA 349 C C . ASN A 45 ? 0.9830 1.1834 1.2756 0.2330 -0.2506 0.1218 88 ASN A C 350 O O . ASN A 45 ? 1.0459 1.2048 1.2909 0.2320 -0.2696 0.1375 88 ASN A O 351 C CB . ASN A 45 ? 1.0534 1.3121 1.4073 0.2750 -0.2712 0.1371 88 ASN A CB 352 C CG . ASN A 45 ? 1.0831 1.3488 1.4129 0.2605 -0.3049 0.1503 88 ASN A CG 353 O OD1 . ASN A 45 ? 1.0487 1.3459 1.3830 0.2358 -0.3151 0.1449 88 ASN A OD1 354 N ND2 . ASN A 45 ? 1.1258 1.3582 1.4263 0.2747 -0.3231 0.1676 88 ASN A ND2 355 N N . VAL A 46 ? 0.9464 1.1387 1.2281 0.2149 -0.2201 0.1061 89 VAL A N 356 C CA . VAL A 46 ? 0.8595 0.9962 1.0774 0.1945 -0.2062 0.1059 89 VAL A CA 357 C C . VAL A 46 ? 0.7415 0.8913 0.9382 0.1641 -0.2013 0.0960 89 VAL A C 358 O O . VAL A 46 ? 0.8417 1.0279 1.0722 0.1541 -0.1886 0.0826 89 VAL A O 359 C CB . VAL A 46 ? 0.7950 0.8984 1.0099 0.1999 -0.1770 0.0966 89 VAL A CB 360 C CG1 . VAL A 46 ? 0.7655 0.8287 0.9272 0.1750 -0.1601 0.0961 89 VAL A CG1 361 C CG2 . VAL A 46 ? 0.7909 0.8586 1.0099 0.2282 -0.1863 0.1069 89 VAL A CG2 362 N N . THR A 47 ? 0.6306 0.7483 0.7683 0.1509 -0.2116 0.1033 90 THR A N 363 C CA . THR A 47 ? 0.6722 0.7888 0.7779 0.1264 -0.2077 0.0917 90 THR A CA 364 C C . THR A 47 ? 0.6601 0.7337 0.7147 0.1178 -0.1817 0.0902 90 THR A C 365 O O . THR A 47 ? 0.7619 0.8021 0.7731 0.1222 -0.1833 0.1055 90 THR A O 366 C CB . THR A 47 ? 0.7786 0.8958 0.8509 0.1198 -0.2418 0.0974 90 THR A CB 367 O OG1 . THR A 47 ? 0.7965 0.9620 0.9246 0.1238 -0.2684 0.0997 90 THR A OG1 368 C CG2 . THR A 47 ? 0.7632 0.8671 0.7933 0.0981 -0.2385 0.0821 90 THR A CG2 369 N N . GLU A 48 ? 0.5644 0.6424 0.6267 0.1052 -0.1580 0.0744 91 GLU A N 370 C CA . GLU A 48 ? 0.5628 0.6095 0.5868 0.0972 -0.1327 0.0725 91 GLU A CA 371 C C . GLU A 48 ? 0.6577 0.7031 0.6520 0.0816 -0.1280 0.0580 91 GLU A C 372 O O . GLU A 48 ? 0.6295 0.6970 0.6499 0.0725 -0.1333 0.0448 91 GLU A O 373 C CB . GLU A 48 ? 0.4417 0.4868 0.4987 0.0999 -0.1081 0.0670 91 GLU A CB 374 C CG . GLU A 48 ? 0.5999 0.6258 0.6698 0.1163 -0.1104 0.0803 91 GLU A CG 375 C CD . GLU A 48 ? 0.7344 0.7209 0.7599 0.1128 -0.1066 0.0990 91 GLU A CD 376 O OE1 . GLU A 48 ? 0.7353 0.7144 0.7281 0.0989 -0.0912 0.0984 91 GLU A OE1 377 O OE2 . GLU A 48 ? 0.8673 0.8315 0.8919 0.1246 -0.1188 0.1160 91 GLU A OE2 378 N N . ASN A 49 ? 0.6171 0.6363 0.5568 0.0794 -0.1180 0.0616 92 ASN A N 379 C CA . ASN A 49 ? 0.5229 0.5346 0.4289 0.0704 -0.1113 0.0458 92 ASN A CA 380 C C . ASN A 49 ? 0.5538 0.5649 0.4754 0.0648 -0.0815 0.0373 92 ASN A C 381 O O . ASN A 49 ? 0.6081 0.6129 0.5351 0.0672 -0.0626 0.0479 92 ASN A O 382 C CB . ASN A 49 ? 0.6430 0.6325 0.4789 0.0756 -0.1134 0.0524 92 ASN A CB 383 C CG . ASN A 49 ? 0.7850 0.7717 0.5951 0.0801 -0.1474 0.0578 92 ASN A CG 384 O OD1 . ASN A 49 ? 0.8057 0.8075 0.6448 0.0751 -0.1726 0.0496 92 ASN A OD1 385 N ND2 . ASN A 49 ? 0.8613 0.8315 0.6174 0.0884 -0.1492 0.0740 92 ASN A ND2 386 N N . PHE A 50 ? 0.4956 0.5113 0.4246 0.0561 -0.0806 0.0195 93 PHE A N 387 C CA . PHE A 50 ? 0.5074 0.5223 0.4488 0.0512 -0.0560 0.0111 93 PHE A CA 388 C C . PHE A 50 ? 0.5962 0.5937 0.4944 0.0506 -0.0522 -0.0021 93 PHE A C 389 O O . PHE A 50 ? 0.7325 0.7181 0.6000 0.0503 -0.0728 -0.0109 93 PHE A O 390 C CB . PHE A 50 ? 0.3892 0.4247 0.3824 0.0431 -0.0562 0.0032 93 PHE A CB 391 C CG . PHE A 50 ? 0.4393 0.4916 0.4747 0.0493 -0.0526 0.0120 93 PHE A CG 392 C CD1 . PHE A 50 ? 0.3747 0.4412 0.4277 0.0565 -0.0716 0.0202 93 PHE A CD1 393 C CD2 . PHE A 50 ? 0.4391 0.4916 0.4952 0.0500 -0.0321 0.0105 93 PHE A CD2 394 C CE1 . PHE A 50 ? 0.4322 0.5113 0.5221 0.0676 -0.0683 0.0258 93 PHE A CE1 395 C CE2 . PHE A 50 ? 0.4463 0.5073 0.5343 0.0593 -0.0302 0.0145 93 PHE A CE2 396 C CZ . PHE A 50 ? 0.4608 0.5345 0.5656 0.0698 -0.0473 0.0216 93 PHE A CZ 397 N N . ASN A 51 ? 0.5552 0.5500 0.4510 0.0517 -0.0279 -0.0045 94 ASN A N 398 C CA . ASN A 51 ? 0.4885 0.4683 0.3493 0.0558 -0.0218 -0.0188 94 ASN A CA 399 C C . ASN A 51 ? 0.5322 0.5177 0.4206 0.0521 -0.0023 -0.0239 94 ASN A C 400 O O . ASN A 51 ? 0.4898 0.4833 0.3799 0.0564 0.0193 -0.0157 94 ASN A O 401 C CB . ASN A 51 ? 0.5513 0.5238 0.3588 0.0696 -0.0112 -0.0126 94 ASN A CB 402 C CG . ASN A 51 ? 0.6261 0.5819 0.3910 0.0807 -0.0060 -0.0308 94 ASN A CG 403 O OD1 . ASN A 51 ? 0.5808 0.5232 0.3545 0.0766 -0.0144 -0.0480 94 ASN A OD1 404 N ND2 . ASN A 51 ? 0.7517 0.7074 0.4685 0.0963 0.0081 -0.0262 94 ASN A ND2 405 N N . MET A 52 ? 0.5154 0.4984 0.4264 0.0425 -0.0116 -0.0352 95 MET A N 406 C CA . MET A 52 ? 0.5005 0.4877 0.4373 0.0379 0.0027 -0.0392 95 MET A CA 407 C C . MET A 52 ? 0.4564 0.4325 0.3656 0.0493 0.0170 -0.0461 95 MET A C 408 O O . MET A 52 ? 0.4847 0.4693 0.4141 0.0490 0.0323 -0.0446 95 MET A O 409 C CB . MET A 52 ? 0.4515 0.4361 0.4101 0.0244 -0.0123 -0.0470 95 MET A CB 410 C CG . MET A 52 ? 0.5210 0.4773 0.4467 0.0229 -0.0336 -0.0602 95 MET A CG 411 S SD . MET A 52 ? 0.4790 0.4304 0.4340 0.0010 -0.0520 -0.0638 95 MET A SD 412 C CE . MET A 52 ? 0.3699 0.3202 0.3386 0.0028 -0.0293 -0.0642 95 MET A CE 413 N N . TRP A 53 ? 0.4122 0.3705 0.2740 0.0615 0.0113 -0.0542 96 TRP A N 414 C CA . TRP A 53 ? 0.4881 0.4372 0.3198 0.0785 0.0250 -0.0635 96 TRP A CA 415 C C . TRP A 53 ? 0.4717 0.4464 0.2969 0.0896 0.0507 -0.0483 96 TRP A C 416 O O . TRP A 53 ? 0.5176 0.4999 0.3306 0.1048 0.0685 -0.0511 96 TRP A O 417 C CB . TRP A 53 ? 0.5280 0.4419 0.3054 0.0897 0.0063 -0.0826 96 TRP A CB 418 C CG . TRP A 53 ? 0.6051 0.4940 0.3938 0.0732 -0.0221 -0.0934 96 TRP A CG 419 C CD1 . TRP A 53 ? 0.5449 0.4261 0.3326 0.0597 -0.0490 -0.0935 96 TRP A CD1 420 C CD2 . TRP A 53 ? 0.5686 0.4408 0.3765 0.0659 -0.0274 -0.1015 96 TRP A CD2 421 N NE1 . TRP A 53 ? 0.5610 0.4247 0.3686 0.0424 -0.0698 -0.1003 96 TRP A NE1 422 C CE2 . TRP A 53 ? 0.5196 0.3749 0.3374 0.0457 -0.0568 -0.1048 96 TRP A CE2 423 C CE3 . TRP A 53 ? 0.5905 0.4618 0.4094 0.0740 -0.0116 -0.1043 96 TRP A CE3 424 C CZ2 . TRP A 53 ? 0.5588 0.3942 0.3948 0.0315 -0.0694 -0.1087 96 TRP A CZ2 425 C CZ3 . TRP A 53 ? 0.6645 0.5126 0.4982 0.0626 -0.0254 -0.1099 96 TRP A CZ3 426 C CH2 . TRP A 53 ? 0.6308 0.4600 0.4716 0.0406 -0.0535 -0.1112 96 TRP A CH2 427 N N . LYS A 54 ? 0.5329 0.5223 0.3688 0.0821 0.0519 -0.0304 97 LYS A N 428 C CA . LYS A 54 ? 0.5409 0.5550 0.3793 0.0853 0.0741 -0.0095 97 LYS A CA 429 C C . LYS A 54 ? 0.5004 0.5245 0.3848 0.0684 0.0730 0.0069 97 LYS A C 430 O O . LYS A 54 ? 0.4962 0.5181 0.3771 0.0645 0.0656 0.0204 97 LYS A O 431 C CB . LYS A 54 ? 0.5730 0.5852 0.3601 0.0967 0.0748 -0.0016 97 LYS A CB 432 C CG . LYS A 54 ? 0.8579 0.8582 0.5895 0.1188 0.0783 -0.0197 97 LYS A CG 433 C CD . LYS A 54 ? 0.9286 0.9278 0.6020 0.1309 0.0796 -0.0112 97 LYS A CD 434 C CE . LYS A 54 ? 1.0349 1.0168 0.6442 0.1572 0.0816 -0.0341 97 LYS A CE 435 N NZ . LYS A 54 ? 1.0955 1.0749 0.6385 0.1707 0.0821 -0.0271 97 LYS A NZ 436 N N . ASN A 55 ? 0.4750 0.5064 0.3991 0.0603 0.0785 0.0045 98 ASN A N 437 C CA . ASN A 55 ? 0.4251 0.4587 0.3884 0.0468 0.0749 0.0135 98 ASN A CA 438 C C . ASN A 55 ? 0.5023 0.5505 0.4957 0.0406 0.0886 0.0199 98 ASN A C 439 O O . ASN A 55 ? 0.4583 0.5087 0.4639 0.0409 0.0904 0.0082 98 ASN A O 440 C CB . ASN A 55 ? 0.4405 0.4640 0.4204 0.0416 0.0587 -0.0007 98 ASN A CB 441 C CG . ASN A 55 ? 0.4849 0.5092 0.4981 0.0339 0.0551 0.0050 98 ASN A CG 442 O OD1 . ASN A 55 ? 0.4141 0.4378 0.4358 0.0311 0.0599 0.0191 98 ASN A OD1 443 N ND2 . ASN A 55 ? 0.3769 0.4018 0.4080 0.0308 0.0464 -0.0055 98 ASN A ND2 444 N N . ASN A 56 ? 0.4212 0.4779 0.4268 0.0335 0.0954 0.0403 99 ASN A N 445 C CA . ASN A 56 ? 0.3590 0.4322 0.3952 0.0244 0.1054 0.0500 99 ASN A CA 446 C C . ASN A 56 ? 0.3929 0.4557 0.4582 0.0157 0.0958 0.0384 99 ASN A C 447 O O . ASN A 56 ? 0.4978 0.5733 0.5860 0.0096 0.1001 0.0405 99 ASN A O 448 C CB . ASN A 56 ? 0.3803 0.4604 0.4248 0.0136 0.1102 0.0776 99 ASN A CB 449 C CG . ASN A 56 ? 0.4117 0.5128 0.4921 0.0005 0.1176 0.0908 99 ASN A CG 450 O OD1 . ASN A 56 ? 0.4934 0.5793 0.5989 -0.0150 0.1064 0.0970 99 ASN A OD1 451 N ND2 . ASN A 56 ? 0.4164 0.5520 0.4998 0.0078 0.1347 0.0940 99 ASN A ND2 452 N N . MET A 57 ? 0.3181 0.3614 0.3821 0.0162 0.0829 0.0270 100 MET A N 453 C CA . MET A 57 ? 0.3428 0.3783 0.4259 0.0116 0.0761 0.0143 100 MET A CA 454 C C . MET A 57 ? 0.4396 0.4846 0.5237 0.0139 0.0803 0.0028 100 MET A C 455 O O . MET A 57 ? 0.3757 0.4212 0.4756 0.0084 0.0787 -0.0014 100 MET A O 456 C CB . MET A 57 ? 0.3570 0.3808 0.4380 0.0159 0.0656 0.0048 100 MET A CB 457 C CG . MET A 57 ? 0.4679 0.4788 0.5481 0.0178 0.0583 0.0152 100 MET A CG 458 S SD . MET A 57 ? 0.3806 0.3886 0.4670 0.0273 0.0469 0.0043 100 MET A SD 459 C CE . MET A 57 ? 0.3370 0.3376 0.4417 0.0268 0.0473 -0.0078 100 MET A CE 460 N N . VAL A 58 ? 0.3927 0.4406 0.4562 0.0229 0.0833 -0.0025 101 VAL A N 461 C CA . VAL A 58 ? 0.3818 0.4311 0.4423 0.0276 0.0848 -0.0131 101 VAL A CA 462 C C . VAL A 58 ? 0.3512 0.4196 0.4268 0.0294 0.0951 -0.0059 101 VAL A C 463 O O . VAL A 58 ? 0.2882 0.3583 0.3776 0.0274 0.0926 -0.0105 101 VAL A O 464 C CB . VAL A 58 ? 0.4148 0.4539 0.4445 0.0387 0.0822 -0.0222 101 VAL A CB 465 C CG1 . VAL A 58 ? 0.3125 0.3459 0.3374 0.0462 0.0823 -0.0324 101 VAL A CG1 466 C CG2 . VAL A 58 ? 0.2846 0.3098 0.3073 0.0337 0.0681 -0.0283 101 VAL A CG2 467 N N . GLU A 59 ? 0.2456 0.3319 0.3198 0.0329 0.1064 0.0078 102 GLU A N 468 C CA . GLU A 59 ? 0.3792 0.4952 0.4761 0.0335 0.1176 0.0193 102 GLU A CA 469 C C . GLU A 59 ? 0.3530 0.4719 0.4841 0.0159 0.1096 0.0260 102 GLU A C 470 O O . GLU A 59 ? 0.3376 0.4736 0.4909 0.0151 0.1097 0.0272 102 GLU A O 471 C CB . GLU A 59 ? 0.3067 0.4474 0.3976 0.0374 0.1331 0.0378 102 GLU A CB 472 C CG . GLU A 59 ? 0.4801 0.6319 0.5401 0.0612 0.1465 0.0311 102 GLU A CG 473 C CD . GLU A 59 ? 0.5650 0.6820 0.5820 0.0706 0.1362 0.0132 102 GLU A CD 474 O OE1 . GLU A 59 ? 0.5533 0.6623 0.5426 0.0902 0.1383 -0.0021 102 GLU A OE1 475 O OE2 . GLU A 59 ? 0.5574 0.6542 0.5691 0.0592 0.1242 0.0141 102 GLU A OE2 476 N N . GLN A 60 ? 0.2918 0.3912 0.4252 0.0035 0.1003 0.0293 103 GLN A N 477 C CA . GLN A 60 ? 0.3542 0.4461 0.5118 -0.0122 0.0890 0.0325 103 GLN A CA 478 C C . GLN A 60 ? 0.3162 0.3958 0.4737 -0.0116 0.0793 0.0151 103 GLN A C 479 O O . GLN A 60 ? 0.3068 0.3919 0.4831 -0.0199 0.0721 0.0165 103 GLN A O 480 C CB . GLN A 60 ? 0.2887 0.3552 0.4433 -0.0208 0.0801 0.0379 103 GLN A CB 481 C CG . GLN A 60 ? 0.4360 0.5128 0.5928 -0.0264 0.0872 0.0614 103 GLN A CG 482 C CD . GLN A 60 ? 0.4731 0.5195 0.6346 -0.0388 0.0734 0.0708 103 GLN A CD 483 O OE1 . GLN A 60 ? 0.3903 0.4139 0.5629 -0.0472 0.0587 0.0631 103 GLN A OE1 484 N NE2 . GLN A 60 ? 0.3251 0.3668 0.4741 -0.0385 0.0765 0.0871 103 GLN A NE2 485 N N . MET A 61 ? 0.2534 0.3182 0.3900 -0.0032 0.0780 0.0007 104 MET A N 486 C CA . MET A 61 ? 0.3619 0.4185 0.4951 -0.0031 0.0714 -0.0119 104 MET A CA 487 C C . MET A 61 ? 0.3010 0.3728 0.4410 0.0018 0.0736 -0.0111 104 MET A C 488 O O . MET A 61 ? 0.3232 0.3948 0.4705 -0.0023 0.0659 -0.0136 104 MET A O 489 C CB . MET A 61 ? 0.3329 0.3774 0.4475 0.0020 0.0705 -0.0224 104 MET A CB 490 C CG . MET A 61 ? 0.3012 0.3406 0.4112 0.0002 0.0657 -0.0307 104 MET A CG 491 S SD . MET A 61 ? 0.3785 0.4133 0.4764 0.0007 0.0650 -0.0373 104 MET A SD 492 C CE . MET A 61 ? 0.6020 0.6353 0.6945 -0.0041 0.0619 -0.0403 104 MET A CE 493 N N . GLN A 62 ? 0.2966 0.3802 0.4310 0.0132 0.0832 -0.0084 105 GLN A N 494 C CA . GLN A 62 ? 0.2473 0.3457 0.3884 0.0241 0.0863 -0.0082 105 GLN A CA 495 C C . GLN A 62 ? 0.2770 0.4017 0.4513 0.0170 0.0845 0.0034 105 GLN A C 496 O O . GLN A 62 ? 0.3222 0.4526 0.5072 0.0196 0.0777 0.0018 105 GLN A O 497 C CB . GLN A 62 ? 0.3126 0.4204 0.4390 0.0414 0.0989 -0.0080 105 GLN A CB 498 C CG . GLN A 62 ? 0.2521 0.3771 0.3854 0.0596 0.1042 -0.0090 105 GLN A CG 499 C CD . GLN A 62 ? 0.4033 0.4972 0.5163 0.0690 0.0935 -0.0236 105 GLN A CD 500 O OE1 . GLN A 62 ? 0.4285 0.4958 0.5308 0.0567 0.0820 -0.0293 105 GLN A OE1 501 N NE2 . GLN A 62 ? 0.3267 0.4242 0.4345 0.0916 0.0975 -0.0284 105 GLN A NE2 502 N N . GLU A 63 ? 0.2795 0.4192 0.4711 0.0062 0.0882 0.0170 106 GLU A N 503 C CA . GLU A 63 ? 0.2025 0.3688 0.4311 -0.0063 0.0833 0.0313 106 GLU A CA 504 C C . GLU A 63 ? 0.2529 0.3987 0.4856 -0.0196 0.0629 0.0240 106 GLU A C 505 O O . GLU A 63 ? 0.2858 0.4505 0.5435 -0.0245 0.0535 0.0294 106 GLU A O 506 C CB . GLU A 63 ? 0.2394 0.4191 0.4835 -0.0195 0.0889 0.0502 106 GLU A CB 507 C CG . GLU A 63 ? 0.4774 0.6891 0.7193 -0.0060 0.1111 0.0622 106 GLU A CG 508 C CD . GLU A 63 ? 0.6895 0.9041 0.9330 -0.0192 0.1168 0.0816 106 GLU A CD 509 O OE1 . GLU A 63 ? 0.7303 0.9094 0.9669 -0.0337 0.1028 0.0800 106 GLU A OE1 510 O OE2 . GLU A 63 ? 0.8513 1.0960 1.0934 -0.0133 0.1317 0.0954 106 GLU A OE2 511 N N . ASP A 64 ? 0.2166 0.3263 0.4238 -0.0236 0.0559 0.0116 107 ASP A N 512 C CA . ASP A 64 ? 0.3318 0.4194 0.5310 -0.0315 0.0389 0.0012 107 ASP A CA 513 C C . ASP A 64 ? 0.2903 0.3814 0.4824 -0.0233 0.0350 -0.0051 107 ASP A C 514 O O . ASP A 64 ? 0.2887 0.3841 0.4912 -0.0296 0.0207 -0.0040 107 ASP A O 515 C CB . ASP A 64 ? 0.3034 0.3586 0.4746 -0.0304 0.0376 -0.0117 107 ASP A CB 516 C CG . ASP A 64 ? 0.2873 0.3250 0.4635 -0.0404 0.0308 -0.0081 107 ASP A CG 517 O OD1 . ASP A 64 ? 0.3147 0.3632 0.5164 -0.0531 0.0250 0.0060 107 ASP A OD1 518 O OD2 . ASP A 64 ? 0.3409 0.3544 0.4974 -0.0356 0.0302 -0.0183 107 ASP A OD2 519 N N . VAL A 65 ? 0.2389 0.3249 0.4123 -0.0104 0.0446 -0.0109 108 VAL A N 520 C CA . VAL A 65 ? 0.2733 0.3541 0.4357 -0.0032 0.0394 -0.0151 108 VAL A CA 521 C C . VAL A 65 ? 0.3780 0.4848 0.5662 0.0038 0.0362 -0.0064 108 VAL A C 522 O O . VAL A 65 ? 0.4385 0.5435 0.6268 0.0044 0.0235 -0.0062 108 VAL A O 523 C CB . VAL A 65 ? 0.3684 0.4338 0.5076 0.0064 0.0473 -0.0212 108 VAL A CB 524 C CG1 . VAL A 65 ? 0.3389 0.3908 0.4644 0.0099 0.0388 -0.0228 108 VAL A CG1 525 C CG2 . VAL A 65 ? 0.3125 0.3631 0.4354 0.0003 0.0509 -0.0272 108 VAL A CG2 526 N N . ILE A 66 ? 0.2794 0.4138 0.4897 0.0105 0.0480 0.0020 109 ILE A N 527 C CA . ILE A 66 ? 0.2347 0.4058 0.4778 0.0197 0.0480 0.0123 109 ILE A CA 528 C C . ILE A 66 ? 0.2882 0.4755 0.5604 0.0023 0.0305 0.0209 109 ILE A C 529 O O . ILE A 66 ? 0.3077 0.5080 0.5951 0.0067 0.0180 0.0240 109 ILE A O 530 C CB . ILE A 66 ? 0.2384 0.4442 0.4997 0.0299 0.0681 0.0221 109 ILE A CB 531 C CG1 . ILE A 66 ? 0.3318 0.5203 0.5607 0.0522 0.0812 0.0110 109 ILE A CG1 532 C CG2 . ILE A 66 ? 0.1735 0.4310 0.4804 0.0366 0.0694 0.0367 109 ILE A CG2 533 C CD1 . ILE A 66 ? 0.2332 0.4552 0.4694 0.0675 0.1026 0.0184 109 ILE A CD1 534 N N . SER A 67 ? 0.2387 0.4208 0.5171 -0.0175 0.0263 0.0246 110 SER A N 535 C CA . SER A 67 ? 0.4003 0.5890 0.7027 -0.0373 0.0048 0.0312 110 SER A CA 536 C C . SER A 67 ? 0.3545 0.5122 0.6287 -0.0393 -0.0152 0.0180 110 SER A C 537 O O . SER A 67 ? 0.2941 0.4638 0.5859 -0.0460 -0.0353 0.0225 110 SER A O 538 C CB . SER A 67 ? 0.3924 0.5663 0.6980 -0.0574 0.0013 0.0352 110 SER A CB 539 O OG . SER A 67 ? 0.6231 0.7501 0.8858 -0.0568 0.0002 0.0181 110 SER A OG 540 N N . LEU A 68 ? 0.3174 0.4388 0.5482 -0.0336 -0.0097 0.0035 111 LEU A N 541 C CA . LEU A 68 ? 0.3910 0.4856 0.5882 -0.0337 -0.0235 -0.0072 111 LEU A CA 542 C C . LEU A 68 ? 0.4717 0.5796 0.6742 -0.0227 -0.0302 -0.0017 111 LEU A C 543 O O . LEU A 68 ? 0.4546 0.5590 0.6519 -0.0274 -0.0505 -0.0013 111 LEU A O 544 C CB . LEU A 68 ? 0.2245 0.2904 0.3819 -0.0284 -0.0110 -0.0191 111 LEU A CB 545 C CG . LEU A 68 ? 0.3786 0.4198 0.4961 -0.0293 -0.0197 -0.0288 111 LEU A CG 546 C CD1 . LEU A 68 ? 0.4122 0.4343 0.5037 -0.0285 -0.0085 -0.0398 111 LEU A CD1 547 C CD2 . LEU A 68 ? 0.3967 0.4373 0.5002 -0.0208 -0.0188 -0.0241 111 LEU A CD2 548 N N . TRP A 69 ? 0.4861 0.6053 0.6957 -0.0065 -0.0151 0.0019 112 TRP A N 549 C CA . TRP A 69 ? 0.3752 0.5007 0.5889 0.0084 -0.0217 0.0066 112 TRP A CA 550 C C . TRP A 69 ? 0.4223 0.5892 0.6825 0.0105 -0.0334 0.0188 112 TRP A C 551 O O . TRP A 69 ? 0.4421 0.6123 0.7061 0.0172 -0.0500 0.0233 112 TRP A O 552 C CB . TRP A 69 ? 0.3349 0.4532 0.5396 0.0274 -0.0048 0.0039 112 TRP A CB 553 C CG . TRP A 69 ? 0.3697 0.4478 0.5318 0.0252 -0.0027 -0.0039 112 TRP A CG 554 C CD1 . TRP A 69 ? 0.3545 0.4153 0.4935 0.0119 0.0025 -0.0104 112 TRP A CD1 555 C CD2 . TRP A 69 ? 0.3052 0.3577 0.4464 0.0362 -0.0066 -0.0037 112 TRP A CD2 556 N NE1 . TRP A 69 ? 0.3331 0.3673 0.4425 0.0121 0.0037 -0.0124 112 TRP A NE1 557 C CE2 . TRP A 69 ? 0.2784 0.3034 0.3875 0.0247 -0.0031 -0.0077 112 TRP A CE2 558 C CE3 . TRP A 69 ? 0.3964 0.4456 0.5444 0.0553 -0.0139 0.0003 112 TRP A CE3 559 C CZ2 . TRP A 69 ? 0.4031 0.3975 0.4882 0.0266 -0.0077 -0.0053 112 TRP A CZ2 560 C CZ3 . TRP A 69 ? 0.4754 0.4855 0.5947 0.0597 -0.0202 0.0002 112 TRP A CZ3 561 C CH2 . TRP A 69 ? 0.5161 0.4990 0.6050 0.0429 -0.0176 -0.0013 112 TRP A CH2 562 N N . ASP A 70 ? 0.3440 0.5450 0.6417 0.0038 -0.0255 0.0268 113 ASP A N 563 C CA . ASP A 70 ? 0.4050 0.6560 0.7565 0.0022 -0.0356 0.0422 113 ASP A CA 564 C C . ASP A 70 ? 0.4312 0.6759 0.7861 -0.0174 -0.0673 0.0437 113 ASP A C 565 O O . ASP A 70 ? 0.4922 0.7671 0.8789 -0.0139 -0.0847 0.0537 113 ASP A O 566 C CB . ASP A 70 ? 0.4302 0.7201 0.8205 -0.0065 -0.0198 0.0547 113 ASP A CB 567 C CG . ASP A 70 ? 0.6566 0.9675 1.0499 0.0180 0.0100 0.0562 113 ASP A CG 568 O OD1 . ASP A 70 ? 0.6528 0.9587 1.0336 0.0440 0.0142 0.0498 113 ASP A OD1 569 O OD2 . ASP A 70 ? 0.7492 1.0781 1.1535 0.0118 0.0275 0.0638 113 ASP A OD2 570 N N . GLN A 71 ? 0.3559 0.5606 0.6761 -0.0357 -0.0761 0.0327 114 GLN A N 571 C CA . GLN A 71 ? 0.4655 0.6554 0.7782 -0.0541 -0.1079 0.0299 114 GLN A CA 572 C C . GLN A 71 ? 0.4635 0.6209 0.7277 -0.0458 -0.1212 0.0204 114 GLN A C 573 O O . GLN A 71 ? 0.5827 0.7352 0.8408 -0.0547 -0.1503 0.0205 114 GLN A O 574 C CB . GLN A 71 ? 0.5757 0.7329 0.8688 -0.0740 -0.1123 0.0201 114 GLN A CB 575 C CG . GLN A 71 ? 0.7426 0.9259 1.0805 -0.0872 -0.1031 0.0332 114 GLN A CG 576 C CD . GLN A 71 ? 0.8861 1.0259 1.1987 -0.1032 -0.1081 0.0228 114 GLN A CD 577 O OE1 . GLN A 71 ? 0.9537 1.0471 1.2137 -0.0991 -0.1123 0.0032 114 GLN A OE1 578 N NE2 . GLN A 71 ? 0.9811 1.1366 1.3312 -0.1203 -0.1073 0.0373 114 GLN A NE2 579 N N . SER A 72 ? 0.4496 0.5848 0.6787 -0.0305 -0.1017 0.0141 115 SER A N 580 C CA . SER A 72 ? 0.5192 0.6204 0.6961 -0.0265 -0.1102 0.0078 115 SER A CA 581 C C . SER A 72 ? 0.4972 0.6025 0.6747 -0.0085 -0.1115 0.0173 115 SER A C 582 O O . SER A 72 ? 0.5345 0.6218 0.6815 -0.0075 -0.1286 0.0198 115 SER A O 583 C CB . SER A 72 ? 0.5807 0.6495 0.7136 -0.0273 -0.0903 -0.0046 115 SER A CB 584 O OG . SER A 72 ? 0.8007 0.8590 0.9289 -0.0399 -0.0908 -0.0147 115 SER A OG 585 N N . LEU A 73 ? 0.5183 0.6430 0.7257 0.0071 -0.0942 0.0223 116 LEU A N 586 C CA . LEU A 73 ? 0.5439 0.6610 0.7468 0.0278 -0.0949 0.0284 116 LEU A CA 587 C C . LEU A 73 ? 0.5348 0.6946 0.7913 0.0470 -0.0963 0.0380 116 LEU A C 588 O O . LEU A 73 ? 0.6072 0.7698 0.8722 0.0676 -0.0794 0.0367 116 LEU A O 589 C CB . LEU A 73 ? 0.6090 0.6956 0.7824 0.0346 -0.0733 0.0216 116 LEU A CB 590 C CG . LEU A 73 ? 0.7542 0.8008 0.8746 0.0229 -0.0743 0.0186 116 LEU A CG 591 C CD1 . LEU A 73 ? 0.7760 0.8020 0.8795 0.0244 -0.0537 0.0129 116 LEU A CD1 592 C CD2 . LEU A 73 ? 0.9007 0.9279 0.9997 0.0284 -0.0941 0.0294 116 LEU A CD2 593 N N . GLN A 74 ? 0.6356 0.8300 0.9280 0.0414 -0.1172 0.0472 117 GLN A N 594 C CA . GLN A 74 ? 0.6817 0.9269 1.0315 0.0614 -0.1198 0.0591 117 GLN A CA 595 C C . GLN A 74 ? 0.5913 0.8201 0.9301 0.0851 -0.1355 0.0643 117 GLN A C 596 O O . GLN A 74 ? 0.5814 0.7853 0.8920 0.0767 -0.1608 0.0677 117 GLN A O 597 C CB . GLN A 74 ? 0.8018 1.0962 1.2026 0.0436 -0.1391 0.0702 117 GLN A CB 598 C CG . GLN A 74 ? 0.8591 1.1775 1.2856 0.0236 -0.1232 0.0706 117 GLN A CG 599 C CD . GLN A 74 ? 0.8376 1.1873 1.2901 0.0433 -0.0889 0.0733 117 GLN A CD 600 O OE1 . GLN A 74 ? 0.7340 1.1407 1.2396 0.0613 -0.0832 0.0859 117 GLN A OE1 601 N NE2 . GLN A 74 ? 0.8840 1.1990 1.2980 0.0419 -0.0660 0.0614 117 GLN A NE2 602 N N . PRO A 75 ? 0.5254 0.7643 0.8820 0.1165 -0.1212 0.0647 118 PRO A N 603 C CA . PRO A 75 ? 0.5536 0.7713 0.9017 0.1441 -0.1364 0.0695 118 PRO A CA 604 C C . PRO A 75 ? 0.5546 0.8226 0.9547 0.1551 -0.1613 0.0846 118 PRO A C 605 O O . PRO A 75 ? 0.5935 0.9210 1.0453 0.1433 -0.1625 0.0918 118 PRO A O 606 C CB . PRO A 75 ? 0.5107 0.7263 0.8639 0.1759 -0.1111 0.0610 118 PRO A CB 607 C CG . PRO A 75 ? 0.4463 0.7189 0.8405 0.1709 -0.0866 0.0603 118 PRO A CG 608 C CD . PRO A 75 ? 0.3680 0.6344 0.7480 0.1297 -0.0897 0.0597 118 PRO A CD 609 N N . CYS A 76 ? 0.4810 0.7249 0.8696 0.1762 -0.1831 0.0913 119 CYS A N 610 C CA . CYS A 76 ? 0.5095 0.8003 0.9459 0.1911 -0.2076 0.1058 119 CYS A CA 611 C C . CYS A 76 ? 0.5454 0.8939 1.0272 0.2199 -0.1813 0.1026 119 CYS A C 612 O O . CYS A 76 ? 0.6206 1.0314 1.1475 0.2160 -0.1838 0.1080 119 CYS A O 613 C CB . CYS A 76 ? 0.6067 0.8478 1.0057 0.2086 -0.2325 0.1125 119 CYS A CB 614 S SG . CYS A 76 ? 0.9590 1.1101 1.2702 0.1829 -0.2446 0.1109 119 CYS A SG 615 N N . VAL A 77 ? 0.5213 0.8448 0.9859 0.2483 -0.1577 0.0916 120 VAL A N 616 C CA . VAL A 77 ? 0.5468 0.9130 1.0405 0.2804 -0.1346 0.0801 120 VAL A CA 617 C C . VAL A 77 ? 0.5928 0.9452 1.0763 0.2773 -0.1021 0.0648 120 VAL A C 618 O O . VAL A 77 ? 0.5877 0.8794 1.0268 0.2780 -0.0977 0.0589 120 VAL A O 619 C CB . VAL A 77 ? 0.6012 0.9369 1.0739 0.3217 -0.1399 0.0776 120 VAL A CB 620 C CG1 . VAL A 77 ? 0.7245 1.0812 1.2663 0.3372 -0.1185 0.0693 120 VAL A CG1 621 C CG2 . VAL A 77 ? 0.5976 0.9543 1.0870 0.3265 -0.1686 0.1004 120 VAL A CG2 622 N N . LYS A 78 ? 0.5460 0.9543 1.0667 0.2718 -0.0780 0.0624 121 LYS A N 623 C CA . LYS A 78 ? 0.5201 0.9206 1.0227 0.2692 -0.0444 0.0517 121 LYS A CA 624 C C . LYS A 78 ? 0.5763 1.0056 1.1006 0.2959 -0.0207 0.0447 121 LYS A C 625 O O . LYS A 78 ? 0.5722 1.0597 1.1454 0.3019 -0.0223 0.0524 121 LYS A O 626 C CB . LYS A 78 ? 0.5045 0.9387 1.0176 0.2310 -0.0341 0.0599 121 LYS A CB 627 C CG . LYS A 78 ? 0.5378 0.9528 1.0197 0.2251 -0.0048 0.0499 121 LYS A CG 628 C CD . LYS A 78 ? 0.5635 1.0101 1.0613 0.1873 0.0032 0.0604 121 LYS A CD 629 C CE . LYS A 78 ? 0.6041 1.0356 1.1031 0.1573 -0.0231 0.0702 121 LYS A CE 630 N NZ . LYS A 78 ? 0.6428 1.0944 1.1566 0.1194 -0.0195 0.0786 121 LYS A NZ 631 N N . LEU A 79 ? 0.6081 0.9973 1.0927 0.3118 0.0007 0.0305 122 LEU A N 632 C CA . LEU A 79 ? 0.6044 1.0142 1.0958 0.3401 0.0242 0.0225 122 LEU A CA 633 C C . LEU A 79 ? 0.7279 1.1469 1.1945 0.3303 0.0548 0.0159 122 LEU A C 634 O O . LEU A 79 ? 0.7677 1.1312 1.1806 0.3349 0.0624 0.0018 122 LEU A O 635 C CB . LEU A 79 ? 0.5809 0.9272 1.0368 0.3738 0.0180 0.0103 122 LEU A CB 636 C CG . LEU A 79 ? 0.6600 0.9741 1.1229 0.3820 -0.0147 0.0193 122 LEU A CG 637 C CD1 . LEU A 79 ? 0.7700 1.0071 1.1822 0.4093 -0.0194 0.0071 122 LEU A CD1 638 C CD2 . LEU A 79 ? 0.6560 1.0347 1.1856 0.3925 -0.0260 0.0319 122 LEU A CD2 639 N N . THR A 80 ? 0.8128 1.3001 1.3170 0.3153 0.0702 0.0279 123 THR A N 640 C CA . THR A 80 ? 0.8787 1.3775 1.3610 0.3027 0.0973 0.0273 123 THR A CA 641 C C . THR A 80 ? 0.9527 1.5161 1.4639 0.3171 0.1222 0.0347 123 THR A C 642 O O . THR A 80 ? 0.9561 1.5831 1.5227 0.3070 0.1206 0.0522 123 THR A O 643 C CB . THR A 80 ? 0.8458 1.3565 1.3356 0.2598 0.0931 0.0402 123 THR A CB 644 O OG1 . THR A 80 ? 0.9316 1.5006 1.4792 0.2421 0.0818 0.0592 123 THR A OG1 645 C CG2 . THR A 80 ? 0.7942 1.2447 1.2512 0.2469 0.0731 0.0331 123 THR A CG2 646 N N . GLY A 81 ? 1.0092 1.5564 1.4806 0.3404 0.1444 0.0221 124 GLY A N 647 C CA . GLY A 81 ? 1.0118 1.6185 1.4999 0.3555 0.1720 0.0294 124 GLY A CA 648 C C . GLY A 81 ? 0.9675 1.6297 1.5099 0.3812 0.1722 0.0362 124 GLY A C 649 O O . GLY A 81 ? 0.9865 1.7213 1.5685 0.3808 0.1907 0.0527 124 GLY A O 650 N N . GLY A 82 ? 0.9316 1.5605 1.4773 0.4036 0.1512 0.0253 198 GLY A N 651 C CA . GLY A 82 ? 0.8573 1.5339 1.4554 0.4313 0.1478 0.0304 198 GLY A CA 652 C C . GLY A 82 ? 0.7424 1.4587 1.4024 0.4070 0.1225 0.0486 198 GLY A C 653 O O . GLY A 82 ? 0.7647 1.5104 1.4693 0.4275 0.1096 0.0525 198 GLY A O 654 N N . SER A 83 ? 0.7406 1.4562 1.4013 0.3639 0.1135 0.0594 199 SER A N 655 C CA . SER A 83 ? 0.7516 1.4987 1.4612 0.3366 0.0863 0.0756 199 SER A CA 656 C C . SER A 83 ? 0.7773 1.4618 1.4659 0.3366 0.0522 0.0667 199 SER A C 657 O O . SER A 83 ? 0.7958 1.4096 1.4293 0.3424 0.0510 0.0520 199 SER A O 658 C CB . SER A 83 ? 0.7446 1.5147 1.4609 0.2901 0.0905 0.0920 199 SER A CB 659 O OG . SER A 83 ? 0.7965 1.5893 1.5523 0.2619 0.0613 0.1063 199 SER A OG 660 N N . VAL A 84 ? 0.7971 1.5082 1.5284 0.3297 0.0233 0.0773 200 VAL A N 661 C CA . VAL A 84 ? 0.7574 1.4146 1.4687 0.3287 -0.0120 0.0732 200 VAL A CA 662 C C . VAL A 84 ? 0.6516 1.3305 1.3808 0.2891 -0.0375 0.0880 200 VAL A C 663 O O . VAL A 84 ? 0.6846 1.4225 1.4655 0.2810 -0.0497 0.1018 200 VAL A O 664 C CB . VAL A 84 ? 0.8430 1.4963 1.5771 0.3665 -0.0306 0.0702 200 VAL A CB 665 C CG1 . VAL A 84 ? 0.9335 1.5315 1.6443 0.3624 -0.0702 0.0707 200 VAL A CG1 666 C CG2 . VAL A 84 ? 0.8088 1.4292 1.5174 0.4059 -0.0070 0.0558 200 VAL A CG2 667 N N . ILE A 85 ? 0.6416 1.2716 1.3272 0.2641 -0.0458 0.0859 201 ILE A N 668 C CA . ILE A 85 ? 0.6547 1.2936 1.3476 0.2246 -0.0695 0.0994 201 ILE A CA 669 C C . ILE A 85 ? 0.5557 1.1480 1.2193 0.2273 -0.1044 0.0993 201 ILE A C 670 O O . ILE A 85 ? 0.5240 1.0553 1.1393 0.2402 -0.1054 0.0897 201 ILE A O 671 C CB . ILE A 85 ? 0.6148 1.2349 1.2820 0.1899 -0.0544 0.1006 201 ILE A CB 672 C CG1 . ILE A 85 ? 0.6876 1.3482 1.3741 0.1872 -0.0199 0.1037 201 ILE A CG1 673 C CG2 . ILE A 85 ? 0.5699 1.1920 1.2461 0.1479 -0.0809 0.1134 201 ILE A CG2 674 C CD1 . ILE A 85 ? 0.7365 1.3770 1.3974 0.1553 -0.0060 0.1057 201 ILE A CD1 675 N N . LYS A 86 ? 0.5214 1.1412 1.2122 0.2138 -0.1338 0.1120 202 LYS A N 676 C CA . LYS A 86 ? 0.5550 1.1327 1.2143 0.2129 -0.1685 0.1161 202 LYS A CA 677 C C . LYS A 86 ? 0.6842 1.2548 1.3379 0.1663 -0.1917 0.1257 202 LYS A C 678 O O . LYS A 86 ? 0.8293 1.4446 1.5229 0.1462 -0.2055 0.1352 202 LYS A O 679 C CB . LYS A 86 ? 0.5034 1.1064 1.1885 0.2434 -0.1894 0.1202 202 LYS A CB 680 C CG . LYS A 86 ? 0.4898 1.0810 1.1737 0.2928 -0.1750 0.1060 202 LYS A CG 681 C CD . LYS A 86 ? 0.5225 1.1338 1.2312 0.3238 -0.2004 0.1097 202 LYS A CD 682 C CE . LYS A 86 ? 0.5907 1.1753 1.3066 0.3702 -0.1912 0.0932 202 LYS A CE 683 N NZ . LYS A 86 ? 0.6454 1.2426 1.3860 0.3991 -0.2164 0.0973 202 LYS A NZ 684 N N . GLN A 87 ? 0.7121 1.2225 1.3156 0.1492 -0.1977 0.1215 203 GLN A N 685 C CA . GLN A 87 ? 0.7885 1.2787 1.3754 0.1074 -0.2213 0.1241 203 GLN A CA 686 C C . GLN A 87 ? 0.7670 1.1955 1.2987 0.1054 -0.2506 0.1231 203 GLN A C 687 O O . GLN A 87 ? 0.8293 1.2275 1.3369 0.1337 -0.2512 0.1231 203 GLN A O 688 C CB . GLN A 87 ? 0.8682 1.3452 1.4446 0.0826 -0.1998 0.1175 203 GLN A CB 689 C CG . GLN A 87 ? 0.8873 1.4185 1.5090 0.0774 -0.1721 0.1212 203 GLN A CG 690 C CD . GLN A 87 ? 0.8169 1.3279 1.4213 0.0550 -0.1513 0.1158 203 GLN A CD 691 O OE1 . GLN A 87 ? 0.6805 1.1421 1.2433 0.0526 -0.1502 0.1067 203 GLN A OE1 692 N NE2 . GLN A 87 ? 0.8602 1.4087 1.4969 0.0383 -0.1358 0.1227 203 GLN A NE2 693 N N . ALA A 88 ? 0.6788 1.0834 1.1845 0.0718 -0.2753 0.1214 204 ALA A N 694 C CA . ALA A 88 ? 0.6333 0.9767 1.0742 0.0663 -0.3010 0.1187 204 ALA A CA 695 C C . ALA A 88 ? 0.6634 0.9574 1.0598 0.0664 -0.2830 0.1092 204 ALA A C 696 O O . ALA A 88 ? 0.6637 0.9619 1.0656 0.0553 -0.2552 0.0997 204 ALA A O 697 C CB . ALA A 88 ? 0.5441 0.8751 0.9617 0.0332 -0.3309 0.1153 204 ALA A CB 698 N N . CYS A 89 ? 0.7279 0.9664 1.0633 0.0768 -0.2878 0.1083 205 CYS A N 699 C CA . CYS A 89 ? 0.6727 0.8571 0.9498 0.0750 -0.2592 0.0965 205 CYS A CA 700 C C . CYS A 89 ? 0.7362 0.8650 0.9355 0.0603 -0.2738 0.0956 205 CYS A C 701 O O . CYS A 89 ? 0.8193 0.9100 0.9817 0.0725 -0.2764 0.1033 205 CYS A O 702 C CB . CYS A 89 ? 0.6249 0.7979 0.9104 0.1068 -0.2410 0.0987 205 CYS A CB 703 S SG . CYS A 89 ? 0.6795 0.8577 0.9858 0.1392 -0.2726 0.1167 205 CYS A SG 704 N N . PRO A 90 ? 0.6753 0.7977 0.8469 0.0345 -0.2834 0.0868 206 PRO A N 705 C CA . PRO A 90 ? 0.7231 0.7989 0.8161 0.0227 -0.2945 0.0850 206 PRO A CA 706 C C . PRO A 90 ? 0.7274 0.7659 0.7733 0.0197 -0.2608 0.0776 206 PRO A C 707 O O . PRO A 90 ? 0.6744 0.7215 0.7444 0.0201 -0.2322 0.0681 206 PRO A O 708 C CB . PRO A 90 ? 0.6695 0.7520 0.7532 -0.0001 -0.3123 0.0728 206 PRO A CB 709 C CG . PRO A 90 ? 0.5619 0.6779 0.7047 -0.0061 -0.2934 0.0647 206 PRO A CG 710 C CD . PRO A 90 ? 0.5415 0.6966 0.7502 0.0158 -0.2840 0.0779 206 PRO A CD 711 N N . LYS A 91 ? 0.7106 0.7116 0.6910 0.0161 -0.2649 0.0841 207 LYS A N 712 C CA . LYS A 91 ? 0.6662 0.6385 0.6040 0.0100 -0.2348 0.0805 207 LYS A CA 713 C C . LYS A 91 ? 0.6652 0.6387 0.5797 -0.0054 -0.2199 0.0607 207 LYS A C 714 O O . LYS A 91 ? 0.6985 0.6727 0.5909 -0.0137 -0.2395 0.0524 207 LYS A O 715 C CB . LYS A 91 ? 0.7238 0.6619 0.6016 0.0090 -0.2431 0.0986 207 LYS A CB 716 C CG . LYS A 91 ? 0.7621 0.6849 0.6585 0.0252 -0.2524 0.1179 207 LYS A CG 717 C CD . LYS A 91 ? 0.7202 0.6387 0.6488 0.0321 -0.2250 0.1121 207 LYS A CD 718 C CE . LYS A 91 ? 0.7884 0.6865 0.7372 0.0529 -0.2368 0.1262 207 LYS A CE 719 N NZ . LYS A 91 ? 0.6989 0.5852 0.6695 0.0603 -0.2128 0.1177 207 LYS A NZ 720 N N . ILE A 92 ? 0.5251 0.4958 0.4435 -0.0077 -0.1878 0.0522 208 ILE A N 721 C CA . ILE A 92 ? 0.5904 0.5624 0.4942 -0.0177 -0.1724 0.0328 208 ILE A CA 722 C C . ILE A 92 ? 0.6163 0.5712 0.4720 -0.0218 -0.1471 0.0320 208 ILE A C 723 O O . ILE A 92 ? 0.6375 0.5808 0.4787 -0.0206 -0.1392 0.0482 208 ILE A O 724 C CB . ILE A 92 ? 0.5913 0.5845 0.5515 -0.0170 -0.1566 0.0226 208 ILE A CB 725 C CG1 . ILE A 92 ? 0.5608 0.5504 0.5346 -0.0103 -0.1300 0.0272 208 ILE A CG1 726 C CG2 . ILE A 92 ? 0.5099 0.5317 0.5267 -0.0134 -0.1770 0.0274 208 ILE A CG2 727 C CD1 . ILE A 92 ? 0.5318 0.5374 0.5431 -0.0104 -0.1099 0.0162 208 ILE A CD1 728 N N . SER A 93 ? 0.6474 0.6014 0.4809 -0.0265 -0.1356 0.0141 209 SER A N 729 C CA . SER A 93 ? 0.6235 0.5734 0.4234 -0.0281 -0.1073 0.0117 209 SER A CA 730 C C . SER A 93 ? 0.5720 0.5331 0.4154 -0.0275 -0.0837 0.0049 209 SER A C 731 O O . SER A 93 ? 0.5123 0.4797 0.3840 -0.0273 -0.0844 -0.0100 209 SER A O 732 C CB . SER A 93 ? 0.6233 0.5656 0.3715 -0.0274 -0.1075 -0.0060 209 SER A CB 733 O OG . SER A 93 ? 0.7089 0.6569 0.4313 -0.0255 -0.0772 -0.0081 209 SER A OG 734 N N . PHE A 94 ? 0.5340 0.4955 0.3814 -0.0291 -0.0654 0.0172 210 PHE A N 735 C CA . PHE A 94 ? 0.5480 0.5173 0.4360 -0.0283 -0.0481 0.0131 210 PHE A CA 736 C C . PHE A 94 ? 0.5379 0.5123 0.4122 -0.0335 -0.0239 0.0169 210 PHE A C 737 O O . PHE A 94 ? 0.5164 0.4849 0.3741 -0.0400 -0.0209 0.0352 210 PHE A O 738 C CB . PHE A 94 ? 0.5276 0.4912 0.4485 -0.0235 -0.0570 0.0245 210 PHE A CB 739 C CG . PHE A 94 ? 0.4152 0.3852 0.3738 -0.0198 -0.0430 0.0178 210 PHE A CG 740 C CD1 . PHE A 94 ? 0.4139 0.3761 0.3708 -0.0240 -0.0289 0.0230 210 PHE A CD1 741 C CD2 . PHE A 94 ? 0.4437 0.4286 0.4389 -0.0133 -0.0453 0.0084 210 PHE A CD2 742 C CE1 . PHE A 94 ? 0.3480 0.3131 0.3330 -0.0199 -0.0190 0.0158 210 PHE A CE1 743 C CE2 . PHE A 94 ? 0.3973 0.3883 0.4201 -0.0086 -0.0317 0.0034 210 PHE A CE2 744 C CZ . PHE A 94 ? 0.4094 0.3884 0.4241 -0.0108 -0.0194 0.0057 210 PHE A CZ 745 N N . ASP A 95 ? 0.4155 0.4018 0.3000 -0.0315 -0.0082 0.0018 211 ASP A N 746 C CA . ASP A 95 ? 0.4844 0.4844 0.3660 -0.0350 0.0146 0.0047 211 ASP A CA 747 C C . ASP A 95 ? 0.5025 0.5124 0.4081 -0.0290 0.0257 -0.0131 211 ASP A C 748 O O . ASP A 95 ? 0.4954 0.5054 0.3856 -0.0220 0.0268 -0.0288 211 ASP A O 749 C CB . ASP A 95 ? 0.4981 0.5077 0.3338 -0.0357 0.0243 0.0096 211 ASP A CB 750 C CG . ASP A 95 ? 0.6814 0.7151 0.5208 -0.0416 0.0481 0.0205 211 ASP A CG 751 O OD1 . ASP A 95 ? 0.6379 0.6723 0.5098 -0.0503 0.0502 0.0304 211 ASP A OD1 752 O OD2 . ASP A 95 ? 0.8783 0.9319 0.6880 -0.0369 0.0640 0.0190 211 ASP A OD2 753 N N . PRO A 96 ? 0.4353 0.4485 0.3749 -0.0310 0.0315 -0.0109 212 PRO A N 754 C CA . PRO A 96 ? 0.4187 0.4386 0.3827 -0.0257 0.0392 -0.0242 212 PRO A CA 755 C C . PRO A 96 ? 0.5283 0.5627 0.4802 -0.0199 0.0543 -0.0336 212 PRO A C 756 O O . PRO A 96 ? 0.3970 0.4486 0.3359 -0.0224 0.0670 -0.0251 212 PRO A O 757 C CB . PRO A 96 ? 0.4679 0.4886 0.4571 -0.0301 0.0428 -0.0161 212 PRO A CB 758 C CG . PRO A 96 ? 0.4027 0.4073 0.3876 -0.0339 0.0303 -0.0036 212 PRO A CG 759 C CD . PRO A 96 ? 0.4598 0.4641 0.4122 -0.0378 0.0275 0.0044 212 PRO A CD 760 N N . ILE A 97 ? 0.4128 0.4413 0.3704 -0.0116 0.0526 -0.0496 213 ILE A N 761 C CA . ILE A 97 ? 0.4347 0.4723 0.3829 -0.0004 0.0653 -0.0615 213 ILE A CA 762 C C . ILE A 97 ? 0.4267 0.4683 0.4075 0.0028 0.0700 -0.0649 213 ILE A C 763 O O . ILE A 97 ? 0.3894 0.4218 0.3928 -0.0026 0.0617 -0.0618 213 ILE A O 764 C CB . ILE A 97 ? 0.4629 0.4795 0.3805 0.0093 0.0556 -0.0797 213 ILE A CB 765 C CG1 . ILE A 97 ? 0.4476 0.4405 0.3851 0.0059 0.0376 -0.0872 213 ILE A CG1 766 C CG2 . ILE A 97 ? 0.4168 0.4283 0.2960 0.0066 0.0482 -0.0764 213 ILE A CG2 767 C CD1 . ILE A 97 ? 0.4089 0.3732 0.3189 0.0131 0.0233 -0.1065 213 ILE A CD1 768 N N . PRO A 98 ? 0.4253 0.4839 0.4081 0.0135 0.0837 -0.0702 214 PRO A N 769 C CA . PRO A 98 ? 0.3894 0.4513 0.4010 0.0178 0.0858 -0.0722 214 PRO A CA 770 C C . PRO A 98 ? 0.4511 0.4831 0.4658 0.0221 0.0730 -0.0832 214 PRO A C 771 O O . PRO A 98 ? 0.4598 0.4711 0.4524 0.0299 0.0662 -0.0967 214 PRO A O 772 C CB . PRO A 98 ? 0.3584 0.4470 0.3689 0.0325 0.1018 -0.0765 214 PRO A CB 773 C CG . PRO A 98 ? 0.3289 0.4405 0.3193 0.0287 0.1128 -0.0680 214 PRO A CG 774 C CD . PRO A 98 ? 0.3624 0.4452 0.3238 0.0225 0.0997 -0.0708 214 PRO A CD 775 N N . ILE A 99 ? 0.3427 0.3709 0.3822 0.0163 0.0686 -0.0766 215 ILE A N 776 C CA . ILE A 99 ? 0.3777 0.3819 0.4251 0.0167 0.0577 -0.0808 215 ILE A CA 777 C C . ILE A 99 ? 0.4111 0.4179 0.4752 0.0240 0.0615 -0.0792 215 ILE A C 778 O O . ILE A 99 ? 0.4644 0.4889 0.5433 0.0207 0.0668 -0.0697 215 ILE A O 779 C CB . ILE A 99 ? 0.4264 0.4269 0.4876 0.0033 0.0493 -0.0707 215 ILE A CB 780 C CG1 . ILE A 99 ? 0.4253 0.4232 0.4728 -0.0027 0.0417 -0.0711 215 ILE A CG1 781 C CG2 . ILE A 99 ? 0.3390 0.3214 0.4131 -0.0001 0.0397 -0.0693 215 ILE A CG2 782 C CD1 . ILE A 99 ? 0.5269 0.5021 0.5535 -0.0005 0.0294 -0.0839 215 ILE A CD1 783 N N . HIS A 100 ? 0.4588 0.4438 0.5177 0.0347 0.0559 -0.0889 216 HIS A N 784 C CA . HIS A 100 ? 0.3981 0.3810 0.4713 0.0438 0.0563 -0.0865 216 HIS A CA 785 C C . HIS A 100 ? 0.4554 0.4155 0.5393 0.0333 0.0450 -0.0768 216 HIS A C 786 O O . HIS A 100 ? 0.4372 0.3719 0.5162 0.0254 0.0333 -0.0787 216 HIS A O 787 C CB . HIS A 100 ? 0.4576 0.4263 0.5184 0.0656 0.0560 -0.1022 216 HIS A CB 788 C CG . HIS A 100 ? 0.4716 0.4699 0.5214 0.0784 0.0708 -0.1102 216 HIS A CG 789 N ND1 . HIS A 100 ? 0.5264 0.5585 0.5915 0.0933 0.0831 -0.1087 216 HIS A ND1 790 C CD2 . HIS A 100 ? 0.4764 0.4797 0.5021 0.0782 0.0756 -0.1173 216 HIS A CD2 791 C CE1 . HIS A 100 ? 0.4075 0.4679 0.4607 0.1010 0.0974 -0.1132 216 HIS A CE1 792 N NE2 . HIS A 100 ? 0.4281 0.4695 0.4538 0.0924 0.0934 -0.1186 216 HIS A NE2 793 N N . TYR A 101 ? 0.3289 0.2997 0.4270 0.0320 0.0477 -0.0648 217 TYR A N 794 C CA . TYR A 101 ? 0.2430 0.1974 0.3491 0.0227 0.0402 -0.0518 217 TYR A CA 795 C C . TYR A 101 ? 0.3326 0.2651 0.4401 0.0336 0.0330 -0.0501 217 TYR A C 796 O O . TYR A 101 ? 0.3965 0.3424 0.5071 0.0471 0.0369 -0.0517 217 TYR A O 797 C CB . TYR A 101 ? 0.2936 0.2716 0.4067 0.0140 0.0475 -0.0382 217 TYR A CB 798 C CG . TYR A 101 ? 0.3122 0.3014 0.4265 0.0037 0.0501 -0.0371 217 TYR A CG 799 C CD1 . TYR A 101 ? 0.3822 0.3866 0.4907 0.0050 0.0555 -0.0439 217 TYR A CD1 800 C CD2 . TYR A 101 ? 0.3297 0.3157 0.4538 -0.0078 0.0460 -0.0270 217 TYR A CD2 801 C CE1 . TYR A 101 ? 0.3273 0.3386 0.4365 -0.0020 0.0553 -0.0422 217 TYR A CE1 802 C CE2 . TYR A 101 ? 0.3574 0.3580 0.4873 -0.0143 0.0471 -0.0254 217 TYR A CE2 803 C CZ . TYR A 101 ? 0.3566 0.3671 0.4773 -0.0100 0.0510 -0.0339 217 TYR A CZ 804 O OH . TYR A 101 ? 0.4704 0.4923 0.5964 -0.0141 0.0498 -0.0315 217 TYR A OH 805 N N . CYS A 102 ? 0.3484 0.2464 0.4556 0.0267 0.0200 -0.0454 218 CYS A N 806 C CA . CYS A 102 ? 0.4068 0.2708 0.5114 0.0384 0.0086 -0.0455 218 CYS A CA 807 C C . CYS A 102 ? 0.5115 0.3552 0.6234 0.0232 -0.0008 -0.0225 218 CYS A C 808 O O . CYS A 102 ? 0.5623 0.4133 0.6825 0.0024 -0.0004 -0.0090 218 CYS A O 809 C CB . CYS A 102 ? 0.5109 0.3366 0.6004 0.0488 -0.0033 -0.0660 218 CYS A CB 810 S SG . CYS A 102 ? 0.5690 0.4205 0.6431 0.0642 0.0099 -0.0902 218 CYS A SG 811 N N . THR A 103 ? 0.4644 0.2856 0.5747 0.0345 -0.0089 -0.0160 219 THR A N 812 C CA . THR A 103 ? 0.4773 0.2751 0.5911 0.0204 -0.0188 0.0093 219 THR A CA 813 C C . THR A 103 ? 0.5147 0.2514 0.6245 0.0176 -0.0416 0.0075 219 THR A C 814 O O . THR A 103 ? 0.5685 0.2757 0.6676 0.0388 -0.0505 -0.0152 219 THR A O 815 C CB . THR A 103 ? 0.5431 0.3488 0.6542 0.0329 -0.0177 0.0222 219 THR A CB 816 O OG1 . THR A 103 ? 0.5294 0.3344 0.6392 0.0605 -0.0197 0.0031 219 THR A OG1 817 C CG2 . THR A 103 ? 0.3829 0.2370 0.4934 0.0263 -0.0010 0.0326 219 THR A CG2 818 N N . PRO A 104 ? 0.5398 0.2572 0.6580 -0.0083 -0.0517 0.0319 220 PRO A N 819 C CA . PRO A 104 ? 0.5860 0.2371 0.7013 -0.0165 -0.0786 0.0348 220 PRO A CA 820 C C . PRO A 104 ? 0.6828 0.2942 0.7897 -0.0018 -0.0913 0.0458 220 PRO A C 821 O O . PRO A 104 ? 0.5735 0.2146 0.6783 0.0140 -0.0790 0.0514 220 PRO A O 822 C CB . PRO A 104 ? 0.5918 0.2526 0.7268 -0.0540 -0.0815 0.0646 220 PRO A CB 823 C CG . PRO A 104 ? 0.5074 0.2301 0.6493 -0.0572 -0.0557 0.0849 220 PRO A CG 824 C CD . PRO A 104 ? 0.4731 0.2322 0.6049 -0.0320 -0.0381 0.0584 220 PRO A CD 825 N N . ALA A 105 ? 0.7089 0.2603 0.8075 -0.0070 -0.1153 0.0479 221 ALA A N 826 C CA . ALA A 105 ? 0.7680 0.2847 0.8544 0.0078 -0.1270 0.0572 221 ALA A CA 827 C C . ALA A 105 ? 0.8046 0.3395 0.8990 -0.0068 -0.1216 0.0968 221 ALA A C 828 O O . ALA A 105 ? 0.8042 0.3656 0.9114 -0.0378 -0.1138 0.1229 221 ALA A O 829 C CB . ALA A 105 ? 0.7872 0.2503 0.8616 -0.0009 -0.1498 0.0536 221 ALA A CB 830 N N . GLY A 106 ? 0.8740 0.4007 0.9597 0.0171 -0.1246 0.1016 222 GLY A N 831 C CA . GLY A 106 ? 0.7313 0.2744 0.8157 0.0076 -0.1205 0.1383 222 GLY A CA 832 C C . GLY A 106 ? 0.7075 0.3185 0.7936 0.0166 -0.0963 0.1358 222 GLY A C 833 O O . GLY A 106 ? 0.7317 0.3653 0.8079 0.0153 -0.0905 0.1593 222 GLY A O 834 N N . TYR A 107 ? 0.6375 0.2841 0.7304 0.0252 -0.0816 0.1051 223 TYR A N 835 C CA . TYR A 107 ? 0.5513 0.2629 0.6439 0.0324 -0.0592 0.0972 223 TYR A CA 836 C C . TYR A 107 ? 0.6461 0.3738 0.7439 0.0600 -0.0554 0.0631 223 TYR A C 837 O O . TYR A 107 ? 0.7123 0.4129 0.8123 0.0694 -0.0621 0.0413 223 TYR A O 838 C CB . TYR A 107 ? 0.5172 0.2687 0.6159 0.0083 -0.0405 0.1012 223 TYR A CB 839 C CG . TYR A 107 ? 0.5925 0.3464 0.6911 -0.0190 -0.0376 0.1370 223 TYR A CG 840 C CD1 . TYR A 107 ? 0.6017 0.3184 0.7119 -0.0418 -0.0517 0.1526 223 TYR A CD1 841 C CD2 . TYR A 107 ? 0.5068 0.3020 0.5930 -0.0224 -0.0211 0.1557 223 TYR A CD2 842 C CE1 . TYR A 107 ? 0.6444 0.3722 0.7602 -0.0693 -0.0471 0.1900 223 TYR A CE1 843 C CE2 . TYR A 107 ? 0.7065 0.5123 0.7919 -0.0453 -0.0141 0.1903 223 TYR A CE2 844 C CZ . TYR A 107 ? 0.7103 0.4864 0.8138 -0.0698 -0.0259 0.2093 223 TYR A CZ 845 O OH . TYR A 107 ? 0.8481 0.6430 0.9563 -0.0950 -0.0172 0.2483 223 TYR A OH 846 N N . VAL A 108 ? 0.5929 0.3653 0.6914 0.0724 -0.0453 0.0593 224 VAL A N 847 C CA . VAL A 108 ? 0.5422 0.3457 0.6513 0.0929 -0.0374 0.0323 224 VAL A CA 848 C C . VAL A 108 ? 0.5847 0.4431 0.6948 0.0842 -0.0211 0.0314 224 VAL A C 849 O O . VAL A 108 ? 0.5603 0.4302 0.6589 0.0704 -0.0178 0.0493 224 VAL A O 850 C CB . VAL A 108 ? 0.6300 0.4292 0.7471 0.1235 -0.0491 0.0274 224 VAL A CB 851 C CG1 . VAL A 108 ? 0.5884 0.3252 0.7015 0.1381 -0.0675 0.0240 224 VAL A CG1 852 C CG2 . VAL A 108 ? 0.6178 0.4334 0.7304 0.1235 -0.0555 0.0492 224 VAL A CG2 853 N N . ILE A 109 ? 0.5182 0.4083 0.6393 0.0929 -0.0113 0.0107 225 ILE A N 854 C CA . ILE A 109 ? 0.4469 0.3818 0.5696 0.0851 -0.0002 0.0087 225 ILE A CA 855 C C . ILE A 109 ? 0.5598 0.5235 0.6955 0.1009 -0.0063 0.0078 225 ILE A C 856 O O . ILE A 109 ? 0.5468 0.5199 0.7004 0.1203 -0.0078 -0.0033 225 ILE A O 857 C CB . ILE A 109 ? 0.3749 0.3291 0.5030 0.0797 0.0131 -0.0087 225 ILE A CB 858 C CG1 . ILE A 109 ? 0.4488 0.3805 0.5680 0.0630 0.0165 -0.0072 225 ILE A CG1 859 C CG2 . ILE A 109 ? 0.3317 0.3251 0.4621 0.0720 0.0206 -0.0101 225 ILE A CG2 860 C CD1 . ILE A 109 ? 0.3744 0.3186 0.4954 0.0595 0.0259 -0.0237 225 ILE A CD1 861 N N . LEU A 110 ? 0.3813 0.3608 0.5076 0.0937 -0.0106 0.0192 226 LEU A N 862 C CA . LEU A 110 ? 0.3388 0.3501 0.4797 0.1037 -0.0200 0.0191 226 LEU A CA 863 C C . LEU A 110 ? 0.3650 0.4140 0.5174 0.0939 -0.0114 0.0079 226 LEU A C 864 O O . LEU A 110 ? 0.3873 0.4347 0.5224 0.0775 -0.0041 0.0065 226 LEU A O 865 C CB . LEU A 110 ? 0.4559 0.4606 0.5758 0.1012 -0.0342 0.0363 226 LEU A CB 866 C CG . LEU A 110 ? 0.4733 0.4416 0.5819 0.1105 -0.0464 0.0532 226 LEU A CG 867 C CD1 . LEU A 110 ? 0.4751 0.4451 0.5613 0.1103 -0.0619 0.0702 226 LEU A CD1 868 C CD2 . LEU A 110 ? 0.3997 0.3606 0.5355 0.1342 -0.0543 0.0469 226 LEU A CD2 869 N N . LYS A 111 ? 0.3851 0.4687 0.5684 0.1047 -0.0123 0.0015 227 LYS A N 870 C CA . LYS A 111 ? 0.3413 0.4622 0.5406 0.0932 -0.0050 -0.0053 227 LYS A CA 871 C C . LYS A 111 ? 0.3269 0.4840 0.5474 0.0914 -0.0207 0.0016 227 LYS A C 872 O O . LYS A 111 ? 0.2859 0.4663 0.5341 0.1087 -0.0290 0.0055 227 LYS A O 873 C CB . LYS A 111 ? 0.3540 0.4939 0.5742 0.1038 0.0105 -0.0163 227 LYS A CB 874 C CG . LYS A 111 ? 0.3219 0.5043 0.5615 0.0911 0.0191 -0.0184 227 LYS A CG 875 C CD . LYS A 111 ? 0.3884 0.5937 0.6438 0.1054 0.0367 -0.0275 227 LYS A CD 876 C CE . LYS A 111 ? 0.3904 0.6380 0.6626 0.0892 0.0470 -0.0247 227 LYS A CE 877 N NZ . LYS A 111 ? 0.3919 0.6661 0.6735 0.1047 0.0671 -0.0322 227 LYS A NZ 878 N N . CYS A 112 ? 0.4124 0.5728 0.6203 0.0713 -0.0272 0.0025 228 CYS A N 879 C CA . CYS A 112 ? 0.3307 0.5221 0.5577 0.0641 -0.0468 0.0083 228 CYS A CA 880 C C . CYS A 112 ? 0.2815 0.5224 0.5524 0.0575 -0.0402 0.0078 228 CYS A C 881 O O . CYS A 112 ? 0.3439 0.5847 0.6113 0.0438 -0.0267 0.0030 228 CYS A O 882 C CB . CYS A 112 ? 0.3608 0.5275 0.5507 0.0460 -0.0597 0.0073 228 CYS A CB 883 S SG . CYS A 112 ? 0.4475 0.6432 0.6560 0.0312 -0.0906 0.0121 228 CYS A SG 884 N N . ASN A 113 ? 0.2267 0.5133 0.5404 0.0676 -0.0495 0.0153 229 ASN A N 885 C CA . ASN A 113 ? 0.2097 0.5558 0.5721 0.0626 -0.0405 0.0193 229 ASN A CA 886 C C . ASN A 113 ? 0.3452 0.7289 0.7381 0.0406 -0.0643 0.0307 229 ASN A C 887 O O . ASN A 113 ? 0.3109 0.7564 0.7555 0.0361 -0.0607 0.0401 229 ASN A O 888 C CB . ASN A 113 ? 0.2103 0.5928 0.6081 0.0940 -0.0277 0.0192 229 ASN A CB 889 C CG . ASN A 113 ? 0.3448 0.6870 0.7127 0.1132 -0.0068 0.0060 229 ASN A CG 890 O OD1 . ASN A 113 ? 0.3218 0.6464 0.6681 0.1021 0.0098 -0.0013 229 ASN A OD1 891 N ND2 . ASN A 113 ? 0.2463 0.5697 0.6120 0.1414 -0.0110 0.0035 229 ASN A ND2 892 N N . ASP A 114 ? 0.2880 0.6354 0.6480 0.0268 -0.0893 0.0303 230 ASP A N 893 C CA . ASP A 114 ? 0.3206 0.6898 0.7001 0.0021 -0.1179 0.0383 230 ASP A CA 894 C C . ASP A 114 ? 0.2992 0.6786 0.6905 -0.0258 -0.1102 0.0399 230 ASP A C 895 O O . ASP A 114 ? 0.3162 0.6522 0.6682 -0.0319 -0.0961 0.0303 230 ASP A O 896 C CB . ASP A 114 ? 0.3925 0.7091 0.7189 -0.0041 -0.1454 0.0331 230 ASP A CB 897 C CG . ASP A 114 ? 0.4831 0.8007 0.8061 0.0178 -0.1619 0.0386 230 ASP A CG 898 O OD1 . ASP A 114 ? 0.6101 0.9546 0.9639 0.0418 -0.1487 0.0434 230 ASP A OD1 899 O OD2 . ASP A 114 ? 0.5576 0.8455 0.8432 0.0126 -0.1891 0.0379 230 ASP A OD2 900 N N . LYS A 115 ? 0.4273 0.8664 0.8755 -0.0430 -0.1204 0.0546 231 LYS A N 901 C CA . LYS A 115 ? 0.5690 1.0301 1.0395 -0.0692 -0.1096 0.0628 231 LYS A CA 902 C C . LYS A 115 ? 0.5753 0.9768 1.0036 -0.0982 -0.1275 0.0569 231 LYS A C 903 O O . LYS A 115 ? 0.5354 0.9250 0.9558 -0.1119 -0.1121 0.0580 231 LYS A O 904 C CB . LYS A 115 ? 0.6983 1.2128 1.2131 -0.0773 -0.1101 0.0739 231 LYS A CB 905 C CG . LYS A 115 ? 0.8243 1.3888 1.3726 -0.0443 -0.0895 0.0744 231 LYS A CG 906 C CD . LYS A 115 ? 0.9393 1.5607 1.5365 -0.0525 -0.0933 0.0864 231 LYS A CD 907 C CE . LYS A 115 ? 0.9896 1.6560 1.6181 -0.0162 -0.0741 0.0839 231 LYS A CE 908 N NZ . LYS A 115 ? 1.0556 1.7848 1.7376 -0.0225 -0.0766 0.0967 231 LYS A NZ 909 N N . ASN A 116 ? 0.4709 0.8318 0.8679 -0.1053 -0.1610 0.0499 232 ASN A N 910 C CA . ASN A 116 ? 0.4976 0.7938 0.8472 -0.1269 -0.1805 0.0399 232 ASN A CA 911 C C . ASN A 116 ? 0.5166 0.7437 0.7923 -0.1068 -0.1815 0.0194 232 ASN A C 912 O O . ASN A 116 ? 0.5884 0.7646 0.8204 -0.1164 -0.2082 0.0085 232 ASN A O 913 C CB . ASN A 116 ? 0.4410 0.7395 0.8057 -0.1550 -0.2189 0.0469 232 ASN A CB 914 C CG . ASN A 116 ? 0.5259 0.8723 0.9398 -0.1724 -0.2051 0.0645 232 ASN A CG 915 O OD1 . ASN A 116 ? 0.3411 0.6934 0.7617 -0.1781 -0.1793 0.0698 232 ASN A OD1 916 N ND2 . ASN A 116 ? 0.5249 0.9058 0.9715 -0.1809 -0.2231 0.0744 232 ASN A ND2 917 N N . PHE A 117 ? 0.3614 0.5874 0.6231 -0.0789 -0.1524 0.0145 233 PHE A N 918 C CA . PHE A 117 ? 0.4737 0.6469 0.6734 -0.0595 -0.1481 0.0006 233 PHE A CA 919 C C . PHE A 117 ? 0.4395 0.5584 0.5919 -0.0659 -0.1434 -0.0127 233 PHE A C 920 O O . PHE A 117 ? 0.3436 0.4639 0.5065 -0.0710 -0.1231 -0.0120 233 PHE A O 921 C CB . PHE A 117 ? 0.4208 0.6071 0.6254 -0.0336 -0.1187 0.0021 233 PHE A CB 922 C CG . PHE A 117 ? 0.4415 0.5837 0.5912 -0.0162 -0.1130 -0.0057 233 PHE A CG 923 C CD1 . PHE A 117 ? 0.4366 0.5607 0.5542 -0.0108 -0.1358 -0.0060 233 PHE A CD1 924 C CD2 . PHE A 117 ? 0.4761 0.5988 0.6072 -0.0062 -0.0851 -0.0106 233 PHE A CD2 925 C CE1 . PHE A 117 ? 0.5347 0.6243 0.6015 0.0044 -0.1275 -0.0092 233 PHE A CE1 926 C CE2 . PHE A 117 ? 0.5572 0.6478 0.6444 0.0072 -0.0784 -0.0134 233 PHE A CE2 927 C CZ . PHE A 117 ? 0.5598 0.6352 0.6145 0.0126 -0.0978 -0.0118 233 PHE A CZ 928 N N . ASN A 118 ? 0.3834 0.4547 0.4814 -0.0631 -0.1626 -0.0250 234 ASN A N 929 C CA . ASN A 118 ? 0.5640 0.5826 0.6160 -0.0647 -0.1612 -0.0396 234 ASN A CA 930 C C . ASN A 118 ? 0.4986 0.4958 0.5134 -0.0411 -0.1314 -0.0474 234 ASN A C 931 O O . ASN A 118 ? 0.5423 0.5024 0.5234 -0.0374 -0.1263 -0.0590 234 ASN A O 932 C CB . ASN A 118 ? 0.6074 0.5811 0.6159 -0.0729 -0.1986 -0.0522 234 ASN A CB 933 C CG . ASN A 118 ? 0.7533 0.7145 0.7177 -0.0546 -0.2096 -0.0578 234 ASN A CG 934 O OD1 . ASN A 118 ? 0.4877 0.4577 0.4384 -0.0333 -0.1850 -0.0548 234 ASN A OD1 935 N ND2 . ASN A 118 ? 0.8364 0.7744 0.7763 -0.0645 -0.2489 -0.0647 234 ASN A ND2 936 N N . GLY A 119 ? 0.5065 0.5277 0.5303 -0.0253 -0.1135 -0.0398 235 GLY A N 937 C CA . GLY A 119 ? 0.4637 0.4723 0.4626 -0.0076 -0.0861 -0.0423 235 GLY A CA 938 C C . GLY A 119 ? 0.5385 0.5317 0.4932 0.0089 -0.0874 -0.0424 235 GLY A C 939 O O . GLY A 119 ? 0.5521 0.5470 0.4979 0.0213 -0.0652 -0.0370 235 GLY A O 940 N N . THR A 120 ? 0.5917 0.5695 0.5170 0.0074 -0.1150 -0.0470 236 THR A N 941 C CA . THR A 120 ? 0.7280 0.6914 0.6036 0.0231 -0.1182 -0.0457 236 THR A CA 942 C C . THR A 120 ? 0.7913 0.7677 0.6732 0.0199 -0.1472 -0.0375 236 THR A C 943 O O . THR A 120 ? 0.8353 0.8237 0.7481 0.0041 -0.1722 -0.0383 236 THR A O 944 C CB . THR A 120 ? 0.7049 0.6265 0.5136 0.0321 -0.1239 -0.0635 236 THR A CB 945 O OG1 . THR A 120 ? 0.7486 0.6477 0.5466 0.0189 -0.1595 -0.0761 236 THR A OG1 946 C CG2 . THR A 120 ? 0.6570 0.5680 0.4623 0.0382 -0.0973 -0.0716 236 THR A CG2 947 N N . GLY A 121 ? 0.6206 0.5986 0.4791 0.0337 -0.1434 -0.0264 237 GLY A N 948 C CA . GLY A 121 ? 0.6211 0.6089 0.4797 0.0345 -0.1712 -0.0171 237 GLY A CA 949 C C . GLY A 121 ? 0.6178 0.6392 0.5292 0.0388 -0.1665 0.0013 237 GLY A C 950 O O . GLY A 121 ? 0.5453 0.5770 0.4848 0.0431 -0.1392 0.0071 237 GLY A O 951 N N . PRO A 122 ? 0.5296 0.5640 0.4478 0.0395 -0.1985 0.0097 238 PRO A N 952 C CA . PRO A 122 ? 0.6608 0.7288 0.6353 0.0471 -0.1964 0.0255 238 PRO A CA 953 C C . PRO A 122 ? 0.6347 0.7437 0.6828 0.0386 -0.1920 0.0242 238 PRO A C 954 O O . PRO A 122 ? 0.6177 0.7380 0.6843 0.0220 -0.2019 0.0164 238 PRO A O 955 C CB . PRO A 122 ? 0.5540 0.6254 0.5137 0.0541 -0.2314 0.0371 238 PRO A CB 956 C CG . PRO A 122 ? 0.5875 0.6433 0.5114 0.0413 -0.2602 0.0245 238 PRO A CG 957 C CD . PRO A 122 ? 0.6285 0.6495 0.5060 0.0375 -0.2390 0.0076 238 PRO A CD 958 N N . CYS A 123 ? 0.5620 0.6892 0.6465 0.0519 -0.1748 0.0331 239 CYS A N 959 C CA . CYS A 123 ? 0.4691 0.6374 0.6183 0.0524 -0.1639 0.0337 239 CYS A CA 960 C C . CYS A 123 ? 0.4537 0.6516 0.6426 0.0715 -0.1750 0.0465 239 CYS A C 961 O O . CYS A 123 ? 0.4587 0.6347 0.6299 0.0883 -0.1716 0.0539 239 CYS A O 962 C CB . CYS A 123 ? 0.4645 0.6211 0.6160 0.0564 -0.1286 0.0279 239 CYS A CB 963 S SG . CYS A 123 ? 0.5279 0.7362 0.7490 0.0576 -0.1138 0.0263 239 CYS A SG 964 N N . LYS A 124 ? 0.5158 0.7664 0.7631 0.0684 -0.1867 0.0499 240 LYS A N 965 C CA . LYS A 124 ? 0.5847 0.8725 0.8775 0.0899 -0.1988 0.0617 240 LYS A CA 966 C C . LYS A 124 ? 0.5892 0.8971 0.9212 0.1120 -0.1705 0.0599 240 LYS A C 967 O O . LYS A 124 ? 0.5933 0.8863 0.9238 0.1372 -0.1705 0.0650 240 LYS A O 968 C CB . LYS A 124 ? 0.6253 0.9730 0.9729 0.0781 -0.2246 0.0685 240 LYS A CB 969 C CG . LYS A 124 ? 0.7103 1.0448 1.0289 0.0596 -0.2637 0.0709 240 LYS A CG 970 C CD . LYS A 124 ? 0.7927 1.1947 1.1804 0.0452 -0.2884 0.0799 240 LYS A CD 971 C CE . LYS A 124 ? 0.8451 1.2288 1.1993 0.0249 -0.3289 0.0791 240 LYS A CE 972 N NZ . LYS A 124 ? 0.7704 1.2075 1.1765 0.0075 -0.3406 0.0832 240 LYS A NZ 973 N N . ASN A 125 ? 0.4678 0.8053 0.8295 0.1023 -0.1488 0.0526 241 ASN A N 974 C CA . ASN A 125 ? 0.2939 0.6592 0.6930 0.1240 -0.1235 0.0491 241 ASN A CA 975 C C . ASN A 125 ? 0.3545 0.6641 0.7078 0.1244 -0.0963 0.0367 241 ASN A C 976 O O . ASN A 125 ? 0.3222 0.6302 0.6680 0.1077 -0.0796 0.0293 241 ASN A O 977 C CB . ASN A 125 ? 0.2857 0.7275 0.7487 0.1158 -0.1154 0.0525 241 ASN A CB 978 C CG . ASN A 125 ? 1.1211 1.6223 1.6346 0.1105 -0.1455 0.0669 241 ASN A CG 979 O OD1 . ASN A 125 ? 1.0592 1.5591 1.5747 0.1295 -0.1656 0.0721 241 ASN A OD1 980 N ND2 . ASN A 125 ? 1.2767 1.8168 1.8160 0.0832 -0.1440 0.0682 241 ASN A ND2 981 N N . VAL A 126 ? 0.3076 0.5737 0.6345 0.1433 -0.0972 0.0376 242 VAL A N 982 C CA . VAL A 126 ? 0.4055 0.6186 0.6921 0.1424 -0.0801 0.0306 242 VAL A CA 983 C C . VAL A 126 ? 0.4888 0.6962 0.7923 0.1700 -0.0663 0.0236 242 VAL A C 984 O O . VAL A 126 ? 0.4939 0.7013 0.8136 0.1960 -0.0783 0.0288 242 VAL A O 985 C CB . VAL A 126 ? 0.4373 0.5960 0.6753 0.1404 -0.0925 0.0402 242 VAL A CB 986 C CG1 . VAL A 126 ? 0.3405 0.4520 0.5472 0.1372 -0.0739 0.0356 242 VAL A CG1 987 C CG2 . VAL A 126 ? 0.3513 0.5062 0.5596 0.1210 -0.1098 0.0464 242 VAL A CG2 988 N N . SER A 127 ? 0.3824 0.5724 0.6722 0.1649 -0.0445 0.0115 243 SER A N 989 C CA . SER A 127 ? 0.4419 0.6096 0.7328 0.1899 -0.0334 0.0009 243 SER A CA 990 C C . SER A 127 ? 0.4943 0.5965 0.7423 0.1802 -0.0295 -0.0017 243 SER A C 991 O O . SER A 127 ? 0.4041 0.4888 0.6257 0.1551 -0.0293 0.0040 243 SER A O 992 C CB . SER A 127 ? 0.3390 0.5500 0.6552 0.1975 -0.0114 -0.0123 243 SER A CB 993 O OG . SER A 127 ? 0.3467 0.5567 0.6455 0.1701 0.0026 -0.0168 243 SER A OG 994 N N . SER A 128 ? 0.5520 0.6190 0.7944 0.2011 -0.0275 -0.0106 244 SER A N 995 C CA . SER A 128 ? 0.5036 0.5088 0.7121 0.1905 -0.0275 -0.0115 244 SER A CA 996 C C . SER A 128 ? 0.3807 0.3753 0.5835 0.1960 -0.0122 -0.0320 244 SER A C 997 O O . SER A 128 ? 0.4785 0.4822 0.6943 0.2245 -0.0080 -0.0463 244 SER A O 998 C CB . SER A 128 ? 0.5385 0.4926 0.7370 0.2063 -0.0472 -0.0011 244 SER A CB 999 O OG . SER A 128 ? 0.7202 0.6160 0.8909 0.1919 -0.0493 0.0015 244 SER A OG 1000 N N . VAL A 129 ? 0.3935 0.3707 0.5755 0.1708 -0.0043 -0.0338 245 VAL A N 1001 C CA . VAL A 129 ? 0.5264 0.4916 0.6976 0.1725 0.0071 -0.0524 245 VAL A CA 1002 C C . VAL A 129 ? 0.5652 0.4771 0.7115 0.1527 0.0007 -0.0496 245 VAL A C 1003 O O . VAL A 129 ? 0.5929 0.4910 0.7327 0.1333 -0.0059 -0.0313 245 VAL A O 1004 C CB . VAL A 129 ? 0.4568 0.4720 0.6353 0.1595 0.0253 -0.0579 245 VAL A CB 1005 C CG1 . VAL A 129 ? 0.3790 0.4534 0.5883 0.1761 0.0325 -0.0587 245 VAL A CG1 1006 C CG2 . VAL A 129 ? 0.3080 0.3296 0.4794 0.1288 0.0256 -0.0446 245 VAL A CG2 1007 N N . GLN A 130 ? 0.4431 0.3278 0.5752 0.1575 0.0023 -0.0670 246 GLN A N 1008 C CA . GLN A 130 ? 0.5385 0.3792 0.6529 0.1353 -0.0056 -0.0643 246 GLN A CA 1009 C C . GLN A 130 ? 0.5336 0.4036 0.6455 0.1120 0.0077 -0.0649 246 GLN A C 1010 O O . GLN A 130 ? 0.5286 0.3872 0.6372 0.0878 0.0046 -0.0527 246 GLN A O 1011 C CB . GLN A 130 ? 0.6476 0.4342 0.7439 0.1510 -0.0175 -0.0837 246 GLN A CB 1012 C CG . GLN A 130 ? 0.7287 0.4676 0.8118 0.1246 -0.0317 -0.0786 246 GLN A CG 1013 C CD . GLN A 130 ? 0.9817 0.6646 1.0412 0.1376 -0.0465 -0.1018 246 GLN A CD 1014 O OE1 . GLN A 130 ? 1.0354 0.7352 1.0803 0.1592 -0.0352 -0.1214 246 GLN A OE1 1015 N NE2 . GLN A 130 ? 1.0283 0.6591 1.0796 0.1163 -0.0670 -0.0921 246 GLN A NE2 1016 N N . CYS A 131 ? 0.4467 0.3567 0.5617 0.1202 0.0226 -0.0772 247 CYS A N 1017 C CA . CYS A 131 ? 0.4251 0.3587 0.5357 0.1009 0.0334 -0.0780 247 CYS A CA 1018 C C . CYS A 131 ? 0.3553 0.3428 0.4809 0.0984 0.0468 -0.0728 247 CYS A C 1019 O O . CYS A 131 ? 0.3528 0.3687 0.4927 0.1154 0.0516 -0.0753 247 CYS A O 1020 C CB . CYS A 131 ? 0.3849 0.3040 0.4758 0.1080 0.0355 -0.0977 247 CYS A CB 1021 S SG . CYS A 131 ? 0.5861 0.4347 0.6565 0.1044 0.0136 -0.1060 247 CYS A SG 1022 N N . THR A 132 ? 0.3898 0.3911 0.5142 0.0771 0.0511 -0.0649 248 THR A N 1023 C CA . THR A 132 ? 0.3352 0.3778 0.4702 0.0707 0.0599 -0.0606 248 THR A CA 1024 C C . THR A 132 ? 0.4208 0.4849 0.5528 0.0764 0.0715 -0.0707 248 THR A C 1025 O O . THR A 132 ? 0.2491 0.2939 0.3654 0.0867 0.0725 -0.0832 248 THR A O 1026 C CB . THR A 132 ? 0.3486 0.3908 0.4777 0.0499 0.0598 -0.0520 248 THR A CB 1027 O OG1 . THR A 132 ? 0.3679 0.3979 0.4848 0.0421 0.0623 -0.0573 248 THR A OG1 1028 C CG2 . THR A 132 ? 0.3772 0.4007 0.5031 0.0451 0.0520 -0.0412 248 THR A CG2 1029 N N . HIS A 133 ? 0.3436 0.4457 0.4879 0.0689 0.0791 -0.0644 249 HIS A N 1030 C CA . HIS A 133 ? 0.3571 0.4842 0.4969 0.0698 0.0920 -0.0681 249 HIS A CA 1031 C C . HIS A 133 ? 0.3817 0.4868 0.4984 0.0552 0.0912 -0.0697 249 HIS A C 1032 O O . HIS A 133 ? 0.3301 0.4107 0.4422 0.0435 0.0822 -0.0661 249 HIS A O 1033 C CB . HIS A 133 ? 0.2875 0.4613 0.4513 0.0605 0.0977 -0.0556 249 HIS A CB 1034 C CG . HIS A 133 ? 0.3955 0.5623 0.5590 0.0364 0.0895 -0.0452 249 HIS A CG 1035 N ND1 . HIS A 133 ? 0.3178 0.4691 0.4847 0.0307 0.0766 -0.0410 249 HIS A ND1 1036 C CD2 . HIS A 133 ? 0.4209 0.5902 0.5768 0.0191 0.0913 -0.0388 249 HIS A CD2 1037 C CE1 . HIS A 133 ? 0.3479 0.4914 0.5082 0.0131 0.0713 -0.0354 249 HIS A CE1 1038 N NE2 . HIS A 133 ? 0.4426 0.5951 0.5981 0.0054 0.0791 -0.0334 249 HIS A NE2 1039 N N . GLY A 134 ? 0.3675 0.4850 0.4697 0.0574 0.1010 -0.0739 250 GLY A N 1040 C CA . GLY A 134 ? 0.3241 0.4227 0.4036 0.0453 0.0981 -0.0747 250 GLY A CA 1041 C C . GLY A 134 ? 0.3314 0.4371 0.4185 0.0247 0.0954 -0.0604 250 GLY A C 1042 O O . GLY A 134 ? 0.3863 0.5204 0.4830 0.0171 0.1019 -0.0501 250 GLY A O 1043 N N . ILE A 135 ? 0.2733 0.3531 0.3570 0.0161 0.0850 -0.0592 251 ILE A N 1044 C CA . ILE A 135 ? 0.3442 0.4226 0.4314 0.0019 0.0806 -0.0491 251 ILE A CA 1045 C C . ILE A 135 ? 0.3132 0.3772 0.3840 -0.0041 0.0764 -0.0483 251 ILE A C 1046 O O . ILE A 135 ? 0.3799 0.4269 0.4457 -0.0020 0.0703 -0.0536 251 ILE A O 1047 C CB . ILE A 135 ? 0.2704 0.3362 0.3669 0.0011 0.0737 -0.0473 251 ILE A CB 1048 C CG1 . ILE A 135 ? 0.3452 0.4230 0.4557 0.0077 0.0743 -0.0469 251 ILE A CG1 1049 C CG2 . ILE A 135 ? 0.3002 0.3601 0.3947 -0.0083 0.0687 -0.0408 251 ILE A CG2 1050 C CD1 . ILE A 135 ? 0.2423 0.3065 0.3545 0.0091 0.0680 -0.0446 251 ILE A CD1 1051 N N . LYS A 136 ? 0.3360 0.4072 0.4005 -0.0131 0.0777 -0.0396 252 LYS A N 1052 C CA . LYS A 136 ? 0.3687 0.4254 0.4181 -0.0182 0.0710 -0.0362 252 LYS A CA 1053 C C . LYS A 136 ? 0.3014 0.3419 0.3591 -0.0206 0.0619 -0.0331 252 LYS A C 1054 O O . LYS A 136 ? 0.4058 0.4443 0.4706 -0.0246 0.0601 -0.0287 252 LYS A O 1055 C CB . LYS A 136 ? 0.3158 0.3832 0.3525 -0.0269 0.0749 -0.0249 252 LYS A CB 1056 C CG . LYS A 136 ? 0.3998 0.4876 0.4214 -0.0204 0.0873 -0.0282 252 LYS A CG 1057 C CD . LYS A 136 ? 0.4848 0.5845 0.4885 -0.0302 0.0921 -0.0130 252 LYS A CD 1058 C CE . LYS A 136 ? 0.5861 0.7020 0.6105 -0.0459 0.0944 0.0049 252 LYS A CE 1059 N NZ . LYS A 136 ? 0.5818 0.7336 0.6300 -0.0422 0.1071 0.0046 252 LYS A NZ 1060 N N . PRO A 137 ? 0.5428 0.3169 0.5454 0.0722 -0.2195 -0.0831 253 PRO A N 1061 C CA . PRO A 137 ? 0.4542 0.2523 0.4791 0.0344 -0.1977 -0.0503 253 PRO A CA 1062 C C . PRO A 137 ? 0.4578 0.3112 0.5029 0.0347 -0.1487 -0.0467 253 PRO A C 1063 O O . PRO A 137 ? 0.4417 0.3073 0.4955 0.0199 -0.1419 -0.0302 253 PRO A O 1064 C CB . PRO A 137 ? 0.6188 0.3813 0.6353 0.0118 -0.2343 -0.0302 253 PRO A CB 1065 C CG . PRO A 137 ? 0.6687 0.4021 0.6635 0.0414 -0.2576 -0.0537 253 PRO A CG 1066 C CD . PRO A 137 ? 0.5393 0.2664 0.5194 0.0793 -0.2617 -0.0876 253 PRO A CD 1067 N N . VAL A 138 ? 0.3712 0.2564 0.4230 0.0503 -0.1182 -0.0610 254 VAL A N 1068 C CA . VAL A 138 ? 0.4018 0.3297 0.4673 0.0501 -0.0780 -0.0576 254 VAL A CA 1069 C C . VAL A 138 ? 0.4077 0.3574 0.4916 0.0264 -0.0563 -0.0361 254 VAL A C 1070 O O . VAL A 138 ? 0.4240 0.3801 0.5137 0.0205 -0.0487 -0.0343 254 VAL A O 1071 C CB . VAL A 138 ? 0.4080 0.3640 0.4730 0.0705 -0.0566 -0.0771 254 VAL A CB 1072 C CG1 . VAL A 138 ? 0.4002 0.3900 0.4731 0.0669 -0.0231 -0.0708 254 VAL A CG1 1073 C CG2 . VAL A 138 ? 0.3492 0.2956 0.3951 0.0996 -0.0782 -0.1023 254 VAL A CG2 1074 N N . VAL A 139 ? 0.4643 0.4277 0.5563 0.0159 -0.0475 -0.0218 255 VAL A N 1075 C CA . VAL A 139 ? 0.3817 0.3731 0.4895 -0.0003 -0.0286 -0.0048 255 VAL A CA 1076 C C . VAL A 139 ? 0.4217 0.4365 0.5343 0.0094 0.0027 -0.0106 255 VAL A C 1077 O O . VAL A 139 ? 0.3856 0.4032 0.4947 0.0180 0.0099 -0.0142 255 VAL A O 1078 C CB . VAL A 139 ? 0.3147 0.3161 0.4305 -0.0159 -0.0386 0.0138 255 VAL A CB 1079 C CG1 . VAL A 139 ? 0.2988 0.3425 0.4307 -0.0240 -0.0157 0.0261 255 VAL A CG1 1080 C CG2 . VAL A 139 ? 0.4047 0.3813 0.5149 -0.0344 -0.0738 0.0262 255 VAL A CG2 1081 N N . SER A 140 ? 0.3363 0.3631 0.4540 0.0069 0.0176 -0.0105 256 SER A N 1082 C CA . SER A 140 ? 0.2769 0.3163 0.3953 0.0139 0.0405 -0.0149 256 SER A CA 1083 C C . SER A 140 ? 0.3785 0.4301 0.5022 0.0092 0.0515 -0.0110 256 SER A C 1084 O O . SER A 140 ? 0.3411 0.3950 0.4676 0.0004 0.0442 -0.0057 256 SER A O 1085 C CB . SER A 140 ? 0.3043 0.3389 0.4149 0.0234 0.0451 -0.0284 256 SER A CB 1086 O OG . SER A 140 ? 0.3837 0.4142 0.4948 0.0239 0.0392 -0.0355 256 SER A OG 1087 N N . THR A 141 ? 0.2608 0.3171 0.3825 0.0152 0.0661 -0.0136 257 THR A N 1088 C CA . THR A 141 ? 0.2843 0.3465 0.4058 0.0157 0.0745 -0.0143 257 THR A CA 1089 C C . THR A 141 ? 0.3246 0.3727 0.4390 0.0182 0.0809 -0.0219 257 THR A C 1090 O O . THR A 141 ? 0.3850 0.4271 0.4950 0.0186 0.0817 -0.0241 257 THR A O 1091 C CB . THR A 141 ? 0.3083 0.3878 0.4309 0.0230 0.0798 -0.0110 257 THR A CB 1092 O OG1 . THR A 141 ? 0.3736 0.4400 0.4889 0.0317 0.0818 -0.0145 257 THR A OG1 1093 C CG2 . THR A 141 ? 0.2419 0.3483 0.3751 0.0168 0.0739 -0.0002 257 THR A CG2 1094 N N . GLN A 142 ? 0.3171 0.3631 0.4294 0.0179 0.0843 -0.0243 258 GLN A N 1095 C CA . GLN A 142 ? 0.2769 0.3099 0.3832 0.0157 0.0871 -0.0288 258 GLN A CA 1096 C C . GLN A 142 ? 0.3371 0.3752 0.4482 0.0104 0.0858 -0.0328 258 GLN A C 1097 O O . GLN A 142 ? 0.3604 0.3996 0.4746 0.0075 0.0848 -0.0367 258 GLN A O 1098 C CB . GLN A 142 ? 0.3027 0.3211 0.3980 0.0178 0.0875 -0.0268 258 GLN A CB 1099 C CG . GLN A 142 ? 0.3013 0.3135 0.3891 0.0300 0.0853 -0.0282 258 GLN A CG 1100 C CD . GLN A 142 ? 0.3366 0.3189 0.4070 0.0322 0.0780 -0.0282 258 GLN A CD 1101 O OE1 . GLN A 142 ? 0.4065 0.3764 0.4713 0.0191 0.0759 -0.0228 258 GLN A OE1 1102 N NE2 . GLN A 142 ? 0.3164 0.2885 0.3761 0.0489 0.0715 -0.0340 258 GLN A NE2 1103 N N . LEU A 143 ? 0.3877 0.4325 0.4986 0.0117 0.0851 -0.0333 259 LEU A N 1104 C CA . LEU A 143 ? 0.3884 0.4485 0.5023 0.0127 0.0838 -0.0405 259 LEU A CA 1105 C C . LEU A 143 ? 0.4305 0.4907 0.5461 0.0215 0.0723 -0.0470 259 LEU A C 1106 O O . LEU A 143 ? 0.4018 0.4546 0.5144 0.0238 0.0675 -0.0433 259 LEU A O 1107 C CB . LEU A 143 ? 0.2949 0.3683 0.4025 0.0088 0.0901 -0.0375 259 LEU A CB 1108 C CG . LEU A 143 ? 0.2880 0.3503 0.3880 -0.0036 0.0940 -0.0275 259 LEU A CG 1109 C CD1 . LEU A 143 ? 0.2295 0.3058 0.3202 -0.0122 0.0972 -0.0200 259 LEU A CD1 1110 C CD2 . LEU A 143 ? 0.2545 0.3187 0.3595 -0.0115 0.0939 -0.0284 259 LEU A CD2 1111 N N . LEU A 144 ? 0.3350 0.4003 0.4539 0.0270 0.0643 -0.0572 260 LEU A N 1112 C CA . LEU A 144 ? 0.3236 0.3803 0.4389 0.0382 0.0459 -0.0663 260 LEU A CA 1113 C C . LEU A 144 ? 0.3295 0.4092 0.4400 0.0523 0.0464 -0.0784 260 LEU A C 1114 O O . LEU A 144 ? 0.2875 0.3989 0.4020 0.0541 0.0568 -0.0839 260 LEU A O 1115 C CB . LEU A 144 ? 0.3391 0.3854 0.4563 0.0412 0.0317 -0.0737 260 LEU A CB 1116 C CG . LEU A 144 ? 0.4221 0.4512 0.5409 0.0269 0.0303 -0.0612 260 LEU A CG 1117 C CD1 . LEU A 144 ? 0.3521 0.3696 0.4701 0.0291 0.0152 -0.0683 260 LEU A CD1 1118 C CD2 . LEU A 144 ? 0.3684 0.3825 0.4833 0.0185 0.0207 -0.0483 260 LEU A CD2 1119 N N . LEU A 145 ? 0.3428 0.4112 0.4440 0.0613 0.0345 -0.0817 261 LEU A N 1120 C CA . LEU A 145 ? 0.3612 0.4546 0.4538 0.0766 0.0359 -0.0932 261 LEU A CA 1121 C C . LEU A 145 ? 0.4113 0.4943 0.4927 0.1009 0.0098 -0.1135 261 LEU A C 1122 O O . LEU A 145 ? 0.4812 0.5229 0.5573 0.1009 -0.0139 -0.1126 261 LEU A O 1123 C CB . LEU A 145 ? 0.3805 0.4694 0.4663 0.0700 0.0434 -0.0816 261 LEU A CB 1124 C CG . LEU A 145 ? 0.3874 0.4760 0.4789 0.0503 0.0620 -0.0636 261 LEU A CG 1125 C CD1 . LEU A 145 ? 0.3302 0.4076 0.4140 0.0476 0.0632 -0.0543 261 LEU A CD1 1126 C CD2 . LEU A 145 ? 0.2721 0.3930 0.3656 0.0430 0.0779 -0.0618 261 LEU A CD2 1127 N N . ASN A 146 ? 0.3923 0.5147 0.4684 0.1216 0.0120 -0.1316 262 ASN A N 1128 C CA . ASN A 146 ? 0.3498 0.4663 0.4106 0.1535 -0.0151 -0.1570 262 ASN A CA 1129 C C . ASN A 146 ? 0.3814 0.4579 0.4402 0.1622 -0.0447 -0.1674 262 ASN A C 1130 O O . ASN A 146 ? 0.4311 0.4693 0.4720 0.1815 -0.0788 -0.1818 262 ASN A O 1131 C CB . ASN A 146 ? 0.4406 0.5284 0.4836 0.1604 -0.0300 -0.1572 262 ASN A CB 1132 C CG . ASN A 146 ? 0.4285 0.5565 0.4671 0.1581 -0.0060 -0.1516 262 ASN A CG 1133 O OD1 . ASN A 146 ? 0.4492 0.6326 0.4943 0.1556 0.0177 -0.1510 262 ASN A OD1 1134 N ND2 . ASN A 146 ? 0.4151 0.5155 0.4417 0.1564 -0.0143 -0.1454 262 ASN A ND2 1135 N N . GLY A 147 ? 0.3235 0.4040 0.3977 0.1475 -0.0353 -0.1597 263 GLY A N 1136 C CA . GLY A 147 ? 0.3726 0.4148 0.4435 0.1526 -0.0632 -0.1669 263 GLY A CA 1137 C C . GLY A 147 ? 0.4406 0.5144 0.5106 0.1789 -0.0723 -0.1912 263 GLY A C 1138 O O . GLY A 147 ? 0.4312 0.5595 0.4996 0.1882 -0.0584 -0.1974 263 GLY A O 1139 N N . SER A 148 ? 0.4717 0.5123 0.5386 0.1818 -0.0970 -0.1964 264 SER A N 1140 C CA . SER A 148 ? 0.3861 0.4567 0.4509 0.1989 -0.1071 -0.2123 264 SER A CA 1141 C C . SER A 148 ? 0.4676 0.5818 0.5573 0.1847 -0.0768 -0.2057 264 SER A C 1142 O O . SER A 148 ? 0.5069 0.6069 0.6117 0.1634 -0.0599 -0.1908 264 SER A O 1143 C CB . SER A 148 ? 0.4840 0.4964 0.5316 0.2082 -0.1521 -0.2201 264 SER A CB 1144 O OG . SER A 148 ? 0.5822 0.5462 0.6061 0.2152 -0.1846 -0.2210 264 SER A OG 1145 N N . LEU A 149 ? 0.4441 0.6126 0.5374 0.1964 -0.0721 -0.2170 265 LEU A N 1146 C CA . LEU A 149 ? 0.4524 0.6635 0.5682 0.1819 -0.0479 -0.2101 265 LEU A CA 1147 C C . LEU A 149 ? 0.3946 0.5876 0.5123 0.1905 -0.0700 -0.2214 265 LEU A C 1148 O O . LEU A 149 ? 0.4279 0.5966 0.5274 0.2128 -0.1038 -0.2385 265 LEU A O 1149 C CB . LEU A 149 ? 0.3574 0.6452 0.4776 0.1842 -0.0286 -0.2117 265 LEU A CB 1150 C CG . LEU A 149 ? 0.4037 0.7183 0.5237 0.1697 -0.0032 -0.1960 265 LEU A CG 1151 C CD1 . LEU A 149 ? 0.3598 0.7490 0.4787 0.1750 0.0069 -0.1994 265 LEU A CD1 1152 C CD2 . LEU A 149 ? 0.2687 0.5761 0.4059 0.1378 0.0223 -0.1725 265 LEU A CD2 1153 N N . ALA A 150 ? 0.3976 0.6004 0.5357 0.1729 -0.0536 -0.2121 266 ALA A N 1154 C CA . ALA A 150 ? 0.4505 0.6449 0.5926 0.1803 -0.0715 -0.2226 266 ALA A CA 1155 C C . ALA A 150 ? 0.4791 0.7342 0.6210 0.1993 -0.0755 -0.2398 266 ALA A C 1156 O O . ALA A 150 ? 0.4500 0.7672 0.5999 0.1939 -0.0518 -0.2350 266 ALA A O 1157 C CB . ALA A 150 ? 0.3234 0.5197 0.4882 0.1572 -0.0517 -0.2091 266 ALA A CB 1158 N N . GLU A 151 ? 0.6091 0.8466 0.7398 0.2206 -0.1075 -0.2590 267 GLU A N 1159 C CA . GLU A 151 ? 0.6695 0.9634 0.7955 0.2444 -0.1166 -0.2806 267 GLU A CA 1160 C C . GLU A 151 ? 0.6346 0.9926 0.7855 0.2335 -0.0937 -0.2774 267 GLU A C 1161 O O . GLU A 151 ? 0.5587 0.9892 0.7148 0.2359 -0.0775 -0.2794 267 GLU A O 1162 C CB . GLU A 151 ? 0.7576 1.0082 0.8601 0.2721 -0.1632 -0.3040 267 GLU A CB 1163 C CG . GLU A 151 ? 0.9631 1.1562 1.0381 0.2840 -0.1931 -0.3074 267 GLU A CG 1164 C CD . GLU A 151 ? 1.2188 1.4560 1.2831 0.2994 -0.1860 -0.3160 267 GLU A CD 1165 O OE1 . GLU A 151 ? 1.3155 1.6250 1.3826 0.3148 -0.1769 -0.3306 267 GLU A OE1 1166 O OE2 . GLU A 151 ? 1.3529 1.5545 1.4057 0.2960 -0.1902 -0.3075 267 GLU A OE2 1167 N N . GLU A 152 ? 0.4964 0.8287 0.6619 0.2206 -0.0945 -0.2712 268 GLU A N 1168 C CA . GLU A 152 ? 0.4445 0.8323 0.6350 0.2082 -0.0765 -0.2667 268 GLU A CA 1169 C C . GLU A 152 ? 0.4265 0.8271 0.6395 0.1728 -0.0438 -0.2388 268 GLU A C 1170 O O . GLU A 152 ? 0.4036 0.8437 0.6195 0.1587 -0.0211 -0.2248 268 GLU A O 1171 C CB . GLU A 152 ? 0.4233 0.7802 0.6166 0.2169 -0.1002 -0.2790 268 GLU A CB 1172 C CG . GLU A 152 ? 0.6601 1.0379 0.8386 0.2489 -0.1271 -0.3079 268 GLU A CG 1173 C CD . GLU A 152 ? 0.8141 1.1864 1.0035 0.2516 -0.1404 -0.3164 268 GLU A CD 1174 O OE1 . GLU A 152 ? 0.9753 1.3458 1.1484 0.2790 -0.1691 -0.3422 268 GLU A OE1 1175 O OE2 . GLU A 152 ? 0.6856 1.0548 0.8987 0.2270 -0.1241 -0.2986 268 GLU A OE2 1176 N N . GLU A 153 ? 0.4241 0.7887 0.6507 0.1585 -0.0449 -0.2313 269 GLU A N 1177 C CA . GLU A 153 ? 0.3444 0.7180 0.5917 0.1256 -0.0195 -0.2082 269 GLU A CA 1178 C C . GLU A 153 ? 0.3501 0.6686 0.5859 0.1142 -0.0123 -0.1954 269 GLU A C 1179 O O . GLU A 153 ? 0.4086 0.6752 0.6244 0.1300 -0.0298 -0.2033 269 GLU A O 1180 C CB . GLU A 153 ? 0.3363 0.6989 0.6018 0.1148 -0.0257 -0.2069 269 GLU A CB 1181 C CG . GLU A 153 ? 0.4672 0.8809 0.7441 0.1262 -0.0351 -0.2199 269 GLU A CG 1182 C CD . GLU A 153 ? 0.6002 1.0147 0.8998 0.1080 -0.0374 -0.2136 269 GLU A CD 1183 O OE1 . GLU A 153 ? 0.6489 1.0230 0.9401 0.0751 -0.0251 -0.1887 269 GLU A OE1 1184 O OE2 . GLU A 153 ? 0.7035 1.1363 1.0096 0.1222 -0.0532 -0.2278 269 GLU A OE2 1185 N N . ILE A 154 ? 0.2772 0.5955 0.5152 0.0819 0.0098 -0.1705 270 ILE A N 1186 C CA . ILE A 154 ? 0.3135 0.5717 0.5319 0.0659 0.0166 -0.1528 270 ILE A CA 1187 C C . ILE A 154 ? 0.2973 0.4870 0.5009 0.0626 0.0016 -0.1496 270 ILE A C 1188 O O . ILE A 154 ? 0.3316 0.5153 0.5403 0.0558 -0.0036 -0.1490 270 ILE A O 1189 C CB . ILE A 154 ? 0.4302 0.6986 0.6519 0.0349 0.0376 -0.1293 270 ILE A CB 1190 C CG1 . ILE A 154 ? 0.4091 0.7477 0.6422 0.0326 0.0517 -0.1275 270 ILE A CG1 1191 C CG2 . ILE A 154 ? 0.3696 0.5782 0.5714 0.0235 0.0425 -0.1145 270 ILE A CG2 1192 C CD1 . ILE A 154 ? 0.3609 0.7025 0.5925 -0.0005 0.0663 -0.1021 270 ILE A CD1 1193 N N . ILE A 155 ? 0.3602 0.5020 0.5449 0.0659 -0.0063 -0.1463 271 ILE A N 1194 C CA . ILE A 155 ? 0.3691 0.4540 0.5375 0.0606 -0.0218 -0.1406 271 ILE A CA 1195 C C . ILE A 155 ? 0.4222 0.4783 0.5789 0.0390 -0.0073 -0.1191 271 ILE A C 1196 O O . ILE A 155 ? 0.3763 0.4343 0.5300 0.0355 0.0039 -0.1115 271 ILE A O 1197 C CB . ILE A 155 ? 0.4745 0.5252 0.6274 0.0783 -0.0499 -0.1512 271 ILE A CB 1198 C CG1 . ILE A 155 ? 0.2872 0.3684 0.4485 0.1088 -0.0674 -0.1783 271 ILE A CG1 1199 C CG2 . ILE A 155 ? 0.4488 0.4460 0.5837 0.0677 -0.0690 -0.1418 271 ILE A CG2 1200 C CD1 . ILE A 155 ? 0.4233 0.5203 0.5961 0.1144 -0.0758 -0.1888 271 ILE A CD1 1201 N N . ILE A 156 ? 0.3937 0.4265 0.5432 0.0274 -0.0085 -0.1111 272 ILE A N 1202 C CA . ILE A 156 ? 0.3100 0.3205 0.4457 0.0131 0.0021 -0.0945 272 ILE A CA 1203 C C . ILE A 156 ? 0.3761 0.3545 0.4942 0.0100 -0.0142 -0.0876 272 ILE A C 1204 O O . ILE A 156 ? 0.4169 0.3770 0.5282 0.0116 -0.0327 -0.0915 272 ILE A O 1205 C CB . ILE A 156 ? 0.2973 0.3048 0.4313 0.0035 0.0101 -0.0902 272 ILE A CB 1206 C CG1 . ILE A 156 ? 0.3410 0.3776 0.4911 -0.0002 0.0205 -0.0926 272 ILE A CG1 1207 C CG2 . ILE A 156 ? 0.3628 0.3538 0.4803 -0.0039 0.0199 -0.0777 272 ILE A CG2 1208 C CD1 . ILE A 156 ? 0.4649 0.5149 0.6170 -0.0034 0.0346 -0.0861 272 ILE A CD1 1209 N N . ARG A 157 ? 0.3314 0.3043 0.4415 0.0036 -0.0093 -0.0756 273 ARG A N 1210 C CA . ARG A 157 ? 0.4096 0.3588 0.5034 -0.0059 -0.0260 -0.0635 273 ARG A CA 1211 C C . ARG A 157 ? 0.4485 0.4066 0.5327 -0.0193 -0.0109 -0.0464 273 ARG A C 1212 O O . ARG A 157 ? 0.3694 0.3461 0.4590 -0.0177 0.0084 -0.0439 273 ARG A O 1213 C CB . ARG A 157 ? 0.4017 0.3406 0.4940 -0.0020 -0.0410 -0.0638 273 ARG A CB 1214 C CG . ARG A 157 ? 0.4156 0.3558 0.5163 0.0191 -0.0543 -0.0856 273 ARG A CG 1215 C CD . ARG A 157 ? 0.4257 0.3479 0.5188 0.0263 -0.0747 -0.0883 273 ARG A CD 1216 N NE . ARG A 157 ? 0.5196 0.4543 0.6197 0.0531 -0.0843 -0.1131 273 ARG A NE 1217 C CZ . ARG A 157 ? 0.5157 0.4328 0.6098 0.0708 -0.1129 -0.1306 273 ARG A CZ 1218 N NH1 . ARG A 157 ? 0.4514 0.3298 0.5310 0.0610 -0.1361 -0.1235 273 ARG A NH1 1219 N NH2 . ARG A 157 ? 0.4562 0.3976 0.5573 0.0998 -0.1194 -0.1558 273 ARG A NH2 1220 N N . SER A 158 ? 0.4165 0.3641 0.4848 -0.0309 -0.0213 -0.0353 274 SER A N 1221 C CA . SER A 158 ? 0.4576 0.4255 0.5149 -0.0420 -0.0086 -0.0192 274 SER A CA 1222 C C . SER A 158 ? 0.4686 0.4264 0.5064 -0.0600 -0.0274 -0.0027 274 SER A C 1223 O O . SER A 158 ? 0.4462 0.3765 0.4764 -0.0606 -0.0465 -0.0074 274 SER A O 1224 C CB . SER A 158 ? 0.4533 0.4353 0.5094 -0.0325 0.0112 -0.0272 274 SER A CB 1225 O OG . SER A 158 ? 0.4199 0.4280 0.4628 -0.0368 0.0219 -0.0158 274 SER A OG 1226 N N . GLU A 159 ? 0.5091 0.4927 0.5387 -0.0760 -0.0234 0.0178 275 GLU A N 1227 C CA . GLU A 159 ? 0.4515 0.4355 0.4603 -0.0992 -0.0398 0.0393 275 GLU A CA 1228 C C . GLU A 159 ? 0.4931 0.4880 0.4883 -0.0943 -0.0297 0.0351 275 GLU A C 1229 O O . GLU A 159 ? 0.6221 0.6021 0.5981 -0.1086 -0.0473 0.0457 275 GLU A O 1230 C CB . GLU A 159 ? 0.4124 0.4380 0.4186 -0.1196 -0.0349 0.0645 275 GLU A CB 1231 C CG . GLU A 159 ? 0.5059 0.5361 0.4898 -0.1521 -0.0559 0.0938 275 GLU A CG 1232 C CD . GLU A 159 ? 0.6193 0.7006 0.6046 -0.1765 -0.0523 0.1218 275 GLU A CD 1233 O OE1 . GLU A 159 ? 0.6868 0.8108 0.6891 -0.1626 -0.0270 0.1154 275 GLU A OE1 1234 O OE2 . GLU A 159 ? 0.7141 0.7933 0.6832 -0.2110 -0.0772 0.1513 275 GLU A OE2 1235 N N . ASN A 160 ? 0.4866 0.5023 0.4889 -0.0737 -0.0049 0.0193 276 ASN A N 1236 C CA . ASN A 160 ? 0.4342 0.4570 0.4218 -0.0642 0.0035 0.0115 276 ASN A CA 1237 C C . ASN A 160 ? 0.4599 0.4848 0.4571 -0.0398 0.0216 -0.0096 276 ASN A C 1238 O O . ASN A 160 ? 0.4526 0.5093 0.4486 -0.0295 0.0380 -0.0108 276 ASN A O 1239 C CB . ASN A 160 ? 0.5288 0.5988 0.4960 -0.0756 0.0109 0.0300 276 ASN A CB 1240 C CG . ASN A 160 ? 0.5878 0.6616 0.5328 -0.0666 0.0139 0.0228 276 ASN A CG 1241 O OD1 . ASN A 160 ? 0.4821 0.5202 0.4282 -0.0522 0.0102 0.0038 276 ASN A OD1 1242 N ND2 . ASN A 160 ? 0.8143 0.9360 0.7383 -0.0761 0.0197 0.0388 276 ASN A ND2 1243 N N . LEU A 161 ? 0.4104 0.4020 0.4165 -0.0313 0.0154 -0.0256 277 LEU A N 1244 C CA . LEU A 161 ? 0.3576 0.3430 0.3715 -0.0147 0.0259 -0.0419 277 LEU A CA 1245 C C . LEU A 161 ? 0.4165 0.4124 0.4094 -0.0012 0.0338 -0.0481 277 LEU A C 1246 O O . LEU A 161 ? 0.5204 0.5164 0.5132 0.0132 0.0415 -0.0577 277 LEU A O 1247 C CB . LEU A 161 ? 0.3875 0.3447 0.4143 -0.0134 0.0153 -0.0538 277 LEU A CB 1248 C CG . LEU A 161 ? 0.5418 0.4964 0.5925 -0.0149 0.0124 -0.0571 277 LEU A CG 1249 C CD1 . LEU A 161 ? 0.5328 0.4757 0.5966 -0.0125 0.0027 -0.0691 277 LEU A CD1 1250 C CD2 . LEU A 161 ? 0.5112 0.4788 0.5715 -0.0098 0.0273 -0.0578 277 LEU A CD2 1251 N N . THR A 162 ? 0.4520 0.4543 0.4239 -0.0045 0.0288 -0.0435 278 THR A N 1252 C CA . THR A 162 ? 0.5762 0.5926 0.5230 0.0123 0.0344 -0.0517 278 THR A CA 1253 C C . THR A 162 ? 0.6280 0.6930 0.5691 0.0223 0.0499 -0.0478 278 THR A C 1254 O O . THR A 162 ? 0.6420 0.7180 0.5673 0.0465 0.0551 -0.0619 278 THR A O 1255 C CB . THR A 162 ? 0.6140 0.6327 0.5370 0.0050 0.0259 -0.0457 278 THR A CB 1256 O OG1 . THR A 162 ? 0.6968 0.6731 0.6279 -0.0046 0.0093 -0.0487 278 THR A OG1 1257 C CG2 . THR A 162 ? 0.6346 0.6628 0.5290 0.0278 0.0290 -0.0596 278 THR A CG2 1258 N N . ASN A 163 ? 0.5028 0.5965 0.4562 0.0051 0.0540 -0.0296 279 ASN A N 1259 C CA . ASN A 163 ? 0.4978 0.6459 0.4520 0.0117 0.0682 -0.0237 279 ASN A CA 1260 C C . ASN A 163 ? 0.4296 0.5643 0.4037 0.0230 0.0734 -0.0330 279 ASN A C 1261 O O . ASN A 163 ? 0.4067 0.5265 0.4012 0.0078 0.0702 -0.0246 279 ASN A O 1262 C CB . ASN A 163 ? 0.5482 0.7340 0.5057 -0.0171 0.0667 0.0040 279 ASN A CB 1263 C CG . ASN A 163 ? 0.5579 0.8186 0.5146 -0.0125 0.0819 0.0129 279 ASN A CG 1264 O OD1 . ASN A 163 ? 0.5201 0.7977 0.4802 0.0143 0.0928 -0.0034 279 ASN A OD1 1265 N ND2 . ASN A 163 ? 0.5508 0.8582 0.5022 -0.0398 0.0801 0.0399 279 ASN A ND2 1266 N N . ASN A 164 ? 0.4147 0.5521 0.3793 0.0509 0.0784 -0.0510 280 ASN A N 1267 C CA . ASN A 164 ? 0.4149 0.5331 0.3929 0.0618 0.0800 -0.0597 280 ASN A CA 1268 C C . ASN A 164 ? 0.4065 0.5695 0.3995 0.0583 0.0900 -0.0484 280 ASN A C 1269 O O . ASN A 164 ? 0.4846 0.6326 0.4902 0.0632 0.0908 -0.0522 280 ASN A O 1270 C CB . ASN A 164 ? 0.5137 0.6114 0.4715 0.0930 0.0749 -0.0823 280 ASN A CB 1271 C CG . ASN A 164 ? 0.5198 0.6710 0.4559 0.1193 0.0813 -0.0908 280 ASN A CG 1272 O OD1 . ASN A 164 ? 0.7465 0.9121 0.6617 0.1255 0.0801 -0.0945 280 ASN A OD1 1273 N ND2 . ASN A 164 ? 0.5724 0.7582 0.5127 0.1367 0.0880 -0.0950 280 ASN A ND2 1274 N N . ALA A 165 ? 0.4332 0.6531 0.4240 0.0475 0.0964 -0.0327 281 ALA A N 1275 C CA . ALA A 165 ? 0.4469 0.7155 0.4538 0.0389 0.1037 -0.0181 281 ALA A CA 1276 C C . ALA A 165 ? 0.5248 0.7674 0.5509 0.0078 0.0952 0.0001 281 ALA A C 1277 O O . ALA A 165 ? 0.4944 0.7598 0.5358 -0.0015 0.0968 0.0115 281 ALA A O 1278 C CB . ALA A 165 ? 0.3180 0.6678 0.3153 0.0361 0.1125 -0.0052 281 ALA A CB 1279 N N . LYS A 166 ? 0.4363 0.6306 0.4601 -0.0058 0.0835 0.0009 282 LYS A N 1280 C CA . LYS A 166 ? 0.4178 0.5810 0.4552 -0.0283 0.0704 0.0125 282 LYS A CA 1281 C C . LYS A 166 ? 0.4176 0.5383 0.4689 -0.0180 0.0693 -0.0024 282 LYS A C 1282 O O . LYS A 166 ? 0.4141 0.5069 0.4622 -0.0047 0.0705 -0.0183 282 LYS A O 1283 C CB . LYS A 166 ? 0.2942 0.4317 0.3209 -0.0461 0.0545 0.0204 282 LYS A CB 1284 C CG . LYS A 166 ? 0.4063 0.5866 0.4181 -0.0664 0.0515 0.0431 282 LYS A CG 1285 C CD . LYS A 166 ? 0.4346 0.6512 0.4566 -0.0867 0.0491 0.0656 282 LYS A CD 1286 C CE . LYS A 166 ? 0.5770 0.8547 0.5852 -0.1096 0.0492 0.0917 282 LYS A CE 1287 N NZ . LYS A 166 ? 0.6601 0.9070 0.6497 -0.1354 0.0273 0.1075 282 LYS A NZ 1288 N N . THR A 167 ? 0.3943 0.5127 0.4596 -0.0260 0.0657 0.0046 283 THR A N 1289 C CA . THR A 167 ? 0.3036 0.3926 0.3808 -0.0176 0.0659 -0.0071 283 THR A CA 1290 C C . THR A 167 ? 0.3541 0.4058 0.4332 -0.0197 0.0550 -0.0157 283 THR A C 1291 O O . THR A 167 ? 0.3883 0.4279 0.4632 -0.0312 0.0404 -0.0098 283 THR A O 1292 C CB . THR A 167 ? 0.3319 0.4277 0.4206 -0.0254 0.0619 0.0023 283 THR A CB 1293 O OG1 . THR A 167 ? 0.3907 0.5302 0.4808 -0.0245 0.0711 0.0115 283 THR A OG1 1294 C CG2 . THR A 167 ? 0.3635 0.4372 0.4614 -0.0149 0.0647 -0.0097 283 THR A CG2 1295 N N . ILE A 168 ? 0.2949 0.3308 0.3794 -0.0092 0.0601 -0.0290 284 ILE A N 1296 C CA . ILE A 168 ? 0.3332 0.3481 0.4241 -0.0097 0.0517 -0.0380 284 ILE A CA 1297 C C . ILE A 168 ? 0.3555 0.3690 0.4585 -0.0081 0.0492 -0.0410 284 ILE A C 1298 O O . ILE A 168 ? 0.4206 0.4409 0.5276 -0.0039 0.0588 -0.0415 284 ILE A O 1299 C CB . ILE A 168 ? 0.3572 0.3627 0.4467 -0.0036 0.0567 -0.0479 284 ILE A CB 1300 C CG1 . ILE A 168 ? 0.3547 0.3578 0.4284 -0.0012 0.0563 -0.0484 284 ILE A CG1 1301 C CG2 . ILE A 168 ? 0.4337 0.4325 0.5348 -0.0052 0.0493 -0.0560 284 ILE A CG2 1302 C CD1 . ILE A 168 ? 0.3967 0.3824 0.4651 0.0041 0.0556 -0.0577 284 ILE A CD1 1303 N N . ILE A 169 ? 0.2960 0.2992 0.4018 -0.0091 0.0337 -0.0443 285 ILE A N 1304 C CA . ILE A 169 ? 0.3112 0.3157 0.4255 -0.0020 0.0292 -0.0520 285 ILE A CA 1305 C C . ILE A 169 ? 0.3475 0.3593 0.4708 0.0060 0.0288 -0.0663 285 ILE A C 1306 O O . ILE A 169 ? 0.3680 0.3716 0.4908 0.0086 0.0155 -0.0731 285 ILE A O 1307 C CB . ILE A 169 ? 0.4143 0.4018 0.5230 -0.0034 0.0066 -0.0496 285 ILE A CB 1308 C CG1 . ILE A 169 ? 0.4917 0.4813 0.5945 -0.0164 0.0062 -0.0315 285 ILE A CG1 1309 C CG2 . ILE A 169 ? 0.3704 0.3596 0.4842 0.0106 -0.0002 -0.0628 285 ILE A CG2 1310 C CD1 . ILE A 169 ? 0.4117 0.3779 0.5059 -0.0242 -0.0219 -0.0243 285 ILE A CD1 1311 N N . VAL A 170 ? 0.3110 0.3416 0.4422 0.0083 0.0421 -0.0693 286 VAL A N 1312 C CA . VAL A 170 ? 0.2589 0.3121 0.4015 0.0127 0.0430 -0.0799 286 VAL A CA 1313 C C . VAL A 170 ? 0.3021 0.3728 0.4492 0.0268 0.0357 -0.0912 286 VAL A C 1314 O O . VAL A 170 ? 0.3078 0.3842 0.4524 0.0287 0.0413 -0.0884 286 VAL A O 1315 C CB . VAL A 170 ? 0.3288 0.3967 0.4751 0.0030 0.0580 -0.0736 286 VAL A CB 1316 C CG1 . VAL A 170 ? 0.3344 0.4394 0.4948 0.0027 0.0591 -0.0804 286 VAL A CG1 1317 C CG2 . VAL A 170 ? 0.2878 0.3327 0.4252 -0.0055 0.0600 -0.0667 286 VAL A CG2 1318 N N . HIS A 171 ? 0.2772 0.3561 0.4288 0.0396 0.0212 -0.1059 287 HIS A N 1319 C CA . HIS A 171 ? 0.3364 0.4326 0.4887 0.0605 0.0098 -0.1223 287 HIS A CA 1320 C C . HIS A 171 ? 0.2796 0.4347 0.4475 0.0679 0.0206 -0.1327 287 HIS A C 1321 O O . HIS A 171 ? 0.3516 0.5275 0.5301 0.0725 0.0159 -0.1418 287 HIS A O 1322 C CB . HIS A 171 ? 0.3632 0.4280 0.5062 0.0751 -0.0202 -0.1347 287 HIS A CB 1323 C CG . HIS A 171 ? 0.3459 0.4086 0.4804 0.0995 -0.0402 -0.1519 287 HIS A CG 1324 N ND1 . HIS A 171 ? 0.3081 0.3401 0.4308 0.1188 -0.0746 -0.1680 287 HIS A ND1 1325 C CD2 . HIS A 171 ? 0.2731 0.3557 0.4054 0.1097 -0.0342 -0.1567 287 HIS A CD2 1326 C CE1 . HIS A 171 ? 0.3295 0.3612 0.4424 0.1419 -0.0904 -0.1838 287 HIS A CE1 1327 N NE2 . HIS A 171 ? 0.3069 0.3717 0.4260 0.1368 -0.0647 -0.1772 287 HIS A NE2 1328 N N . LEU A 172 ? 0.2115 0.3980 0.3807 0.0676 0.0347 -0.1300 288 LEU A N 1329 C CA . LEU A 172 ? 0.2436 0.4981 0.4268 0.0690 0.0472 -0.1346 288 LEU A CA 1330 C C . LEU A 172 ? 0.3290 0.6211 0.5141 0.0997 0.0329 -0.1595 288 LEU A C 1331 O O . LEU A 172 ? 0.4140 0.6744 0.5836 0.1213 0.0126 -0.1729 288 LEU A O 1332 C CB . LEU A 172 ? 0.2008 0.4760 0.3795 0.0573 0.0646 -0.1215 288 LEU A CB 1333 C CG . LEU A 172 ? 0.3728 0.6114 0.5453 0.0298 0.0755 -0.0977 288 LEU A CG 1334 C CD1 . LEU A 172 ? 0.2963 0.5528 0.4616 0.0205 0.0878 -0.0862 288 LEU A CD1 1335 C CD2 . LEU A 172 ? 0.2419 0.4853 0.4238 0.0096 0.0789 -0.0879 288 LEU A CD2 1336 N N . ASN A 173 ? 0.2852 0.6321 0.4794 0.0970 0.0382 -0.1598 289 ASN A N 1337 C CA . ASN A 173 ? 0.3135 0.6936 0.4996 0.1224 0.0234 -0.1785 289 ASN A CA 1338 C C . ASN A 173 ? 0.3572 0.7940 0.5369 0.1205 0.0362 -0.1729 289 ASN A C 1339 O O . ASN A 173 ? 0.3453 0.8224 0.5174 0.1414 0.0266 -0.1887 289 ASN A O 1340 C CB . ASN A 173 ? 0.3530 0.7578 0.5532 0.1259 0.0158 -0.1873 289 ASN A CB 1341 C CG . ASN A 173 ? 0.3630 0.8192 0.5830 0.0972 0.0362 -0.1686 289 ASN A CG 1342 O OD1 . ASN A 173 ? 0.3466 0.8062 0.5693 0.0709 0.0541 -0.1470 289 ASN A OD1 1343 N ND2 . ASN A 173 ? 0.4204 0.9137 0.6527 0.1009 0.0303 -0.1762 289 ASN A ND2 1344 N N . LYS A 174 ? 0.3430 0.7825 0.5240 0.0957 0.0559 -0.1511 290 LYS A N 1345 C CA . LYS A 174 ? 0.3416 0.8304 0.5153 0.0888 0.0678 -0.1417 290 LYS A CA 1346 C C . LYS A 174 ? 0.3673 0.8237 0.5306 0.0773 0.0775 -0.1278 290 LYS A C 1347 O O . LYS A 174 ? 0.3666 0.7931 0.5363 0.0538 0.0872 -0.1110 290 LYS A O 1348 C CB . LYS A 174 ? 0.4399 0.9819 0.6279 0.0605 0.0811 -0.1229 290 LYS A CB 1349 C CG . LYS A 174 ? 0.4553 1.0563 0.6351 0.0505 0.0909 -0.1114 290 LYS A CG 1350 C CD . LYS A 174 ? 0.6808 1.3357 0.8523 0.0817 0.0809 -0.1344 290 LYS A CD 1351 C CE . LYS A 174 ? 0.8336 1.5622 0.9993 0.0687 0.0911 -0.1216 290 LYS A CE 1352 N NZ . LYS A 174 ? 0.9188 1.6867 1.0994 0.0324 0.1005 -0.0970 290 LYS A NZ 1353 N N . SER A 175 ? 0.3818 0.8446 0.5281 0.0952 0.0731 -0.1366 291 SER A N 1354 C CA . SER A 175 ? 0.3884 0.8235 0.5238 0.0873 0.0808 -0.1257 291 SER A CA 1355 C C . SER A 175 ? 0.3875 0.8513 0.5243 0.0549 0.0997 -0.0995 291 SER A C 1356 O O . SER A 175 ? 0.4639 0.9849 0.6023 0.0453 0.1048 -0.0926 291 SER A O 1357 C CB . SER A 175 ? 0.4976 0.9362 0.6134 0.1152 0.0689 -0.1425 291 SER A CB 1358 O OG . SER A 175 ? 0.7026 1.0919 0.8118 0.1400 0.0464 -0.1621 291 SER A OG 1359 N N . VAL A 176 ? 0.4234 0.8474 0.5580 0.0373 0.1074 -0.0845 292 VAL A N 1360 C CA . VAL A 176 ? 0.4197 0.8581 0.5484 0.0072 0.1197 -0.0594 292 VAL A CA 1361 C C . VAL A 176 ? 0.3662 0.7805 0.4785 0.0132 0.1219 -0.0583 292 VAL A C 1362 O O . VAL A 176 ? 0.3268 0.6932 0.4393 0.0190 0.1198 -0.0627 292 VAL A O 1363 C CB . VAL A 176 ? 0.4440 0.8554 0.5821 -0.0240 0.1238 -0.0403 292 VAL A CB 1364 C CG1 . VAL A 176 ? 0.4226 0.8353 0.5477 -0.0564 0.1294 -0.0130 292 VAL A CG1 1365 C CG2 . VAL A 176 ? 0.3640 0.8006 0.5184 -0.0318 0.1206 -0.0403 292 VAL A CG2 1366 N N . GLU A 177 ? 0.3818 0.8332 0.4799 0.0120 0.1255 -0.0531 293 GLU A N 1367 C CA . GLU A 177 ? 0.3894 0.8231 0.4702 0.0198 0.1267 -0.0534 293 GLU A CA 1368 C C . GLU A 177 ? 0.4045 0.8035 0.4799 -0.0079 0.1339 -0.0309 293 GLU A C 1369 O O . GLU A 177 ? 0.4736 0.8765 0.5500 -0.0400 0.1374 -0.0082 293 GLU A O 1370 C CB . GLU A 177 ? 0.3037 0.7911 0.3691 0.0250 0.1281 -0.0533 293 GLU A CB 1371 C CG . GLU A 177 ? 0.7062 1.2243 0.7701 0.0605 0.1168 -0.0806 293 GLU A CG 1372 C CD . GLU A 177 ? 0.6795 1.2508 0.7260 0.0694 0.1174 -0.0827 293 GLU A CD 1373 O OE1 . GLU A 177 ? 0.5214 1.1085 0.5581 0.0443 0.1277 -0.0603 293 GLU A OE1 1374 O OE2 . GLU A 177 ? 0.7529 1.3498 0.7939 0.1018 0.1053 -0.1066 293 GLU A OE2 1375 N N . ILE A 178 ? 0.3764 0.7228 0.4417 0.0045 0.1276 -0.0355 294 ILE A N 1376 C CA . ILE A 178 ? 0.3137 0.6066 0.3662 -0.0153 0.1247 -0.0151 294 ILE A CA 1377 C C . ILE A 178 ? 0.4029 0.6931 0.4357 -0.0053 0.1232 -0.0159 294 ILE A C 1378 O O . ILE A 178 ? 0.3777 0.6538 0.4091 0.0210 0.1161 -0.0340 294 ILE A O 1379 C CB . ILE A 178 ? 0.3758 0.6011 0.4366 -0.0128 0.1160 -0.0167 294 ILE A CB 1380 C CG1 . ILE A 178 ? 0.3727 0.5480 0.4192 -0.0249 0.1107 -0.0009 294 ILE A CG1 1381 C CG2 . ILE A 178 ? 0.4261 0.6349 0.4943 0.0148 0.1081 -0.0377 294 ILE A CG2 1382 C CD1 . ILE A 178 ? 0.3556 0.4789 0.4095 -0.0211 0.1036 -0.0025 294 ILE A CD1 1383 N N . ASN A 179 ? 0.5220 0.8233 0.5375 -0.0281 0.1267 0.0052 295 ASN A N 1384 C CA . ASN A 179 ? 0.4861 0.7948 0.4797 -0.0212 0.1263 0.0064 295 ASN A CA 1385 C C . ASN A 179 ? 0.5633 0.8031 0.5437 -0.0300 0.1160 0.0198 295 ASN A C 1386 O O . ASN A 179 ? 0.5330 0.7546 0.5003 -0.0574 0.1126 0.0428 295 ASN A O 1387 C CB . ASN A 179 ? 0.5171 0.8986 0.4969 -0.0406 0.1370 0.0216 295 ASN A CB 1388 C CG . ASN A 179 ? 0.5830 0.9903 0.5391 -0.0268 0.1385 0.0172 295 ASN A CG 1389 O OD1 . ASN A 179 ? 0.4906 0.8552 0.4404 -0.0030 0.1295 0.0029 295 ASN A OD1 1390 N ND2 . ASN A 179 ? 0.7867 1.2588 0.7303 -0.0418 0.1456 0.0298 295 ASN A ND2 1391 N N . CYS A 180 ? 0.4857 0.6874 0.4686 -0.0069 0.1079 0.0055 296 CYS A N 1392 C CA . CYS A 180 ? 0.4583 0.6009 0.4342 -0.0099 0.0976 0.0142 296 CYS A CA 1393 C C . CYS A 180 ? 0.5641 0.7027 0.5191 -0.0020 0.0926 0.0149 296 CYS A C 1394 O O . CYS A 180 ? 0.5119 0.6677 0.4653 0.0196 0.0910 -0.0015 296 CYS A O 1395 C CB . CYS A 180 ? 0.3505 0.4573 0.3468 0.0054 0.0910 0.0020 296 CYS A CB 1396 S SG . CYS A 180 ? 0.5014 0.6097 0.5192 -0.0015 0.0956 -0.0002 296 CYS A SG 1397 N N . THR A 181 ? 0.5283 0.6384 0.4647 -0.0183 0.0863 0.0332 297 THR A N 1398 C CA . THR A 181 ? 0.5756 0.6813 0.4887 -0.0141 0.0808 0.0368 297 THR A CA 1399 C C . THR A 181 ? 0.6631 0.7099 0.5666 -0.0179 0.0659 0.0471 297 THR A C 1400 O O . THR A 181 ? 0.6430 0.6599 0.5397 -0.0357 0.0589 0.0619 297 THR A O 1401 C CB . THR A 181 ? 0.5707 0.7247 0.4589 -0.0334 0.0887 0.0519 297 THR A CB 1402 O OG1 . THR A 181 ? 0.5533 0.7740 0.4506 -0.0232 0.1023 0.0382 297 THR A OG1 1403 C CG2 . THR A 181 ? 0.6113 0.7595 0.4715 -0.0290 0.0822 0.0561 297 THR A CG2 1404 N N . ARG A 182 ? 0.6444 0.6733 0.5464 0.0007 0.0578 0.0379 298 ARG A N 1405 C CA . ARG A 182 ? 0.5206 0.5054 0.4079 -0.0004 0.0429 0.0470 298 ARG A CA 1406 C C . ARG A 182 ? 0.5113 0.5109 0.3666 -0.0066 0.0416 0.0558 298 ARG A C 1407 O O . ARG A 182 ? 0.5516 0.5685 0.4034 0.0104 0.0419 0.0436 298 ARG A O 1408 C CB . ARG A 182 ? 0.4850 0.4489 0.3922 0.0217 0.0340 0.0335 298 ARG A CB 1409 C CG . ARG A 182 ? 0.5282 0.4491 0.4318 0.0248 0.0182 0.0393 298 ARG A CG 1410 C CD . ARG A 182 ? 0.5399 0.4407 0.4107 0.0192 0.0065 0.0507 298 ARG A CD 1411 N NE . ARG A 182 ? 0.5193 0.4399 0.3822 0.0288 0.0075 0.0440 298 ARG A NE 1412 C CZ . ARG A 182 ? 0.5597 0.4687 0.4312 0.0454 -0.0036 0.0355 298 ARG A CZ 1413 N NH1 . ARG A 182 ? 0.5296 0.4176 0.4209 0.0541 -0.0137 0.0332 298 ARG A NH1 1414 N NH2 . ARG A 182 ? 0.5048 0.4269 0.3646 0.0542 -0.0061 0.0287 298 ARG A NH2 1415 N N . PRO A 183 ? 0.5927 0.5837 0.4214 -0.0322 0.0373 0.0781 299 PRO A N 1416 C CA . PRO A 183 ? 0.6809 0.6924 0.4747 -0.0442 0.0367 0.0915 299 PRO A CA 1417 C C . PRO A 183 ? 0.8258 0.8059 0.6058 -0.0272 0.0229 0.0863 299 PRO A C 1418 O O . PRO A 183 ? 0.8593 0.7906 0.6499 -0.0163 0.0085 0.0821 299 PRO A O 1419 C CB . PRO A 183 ? 0.7426 0.7307 0.5123 -0.0797 0.0264 0.1206 299 PRO A CB 1420 C CG . PRO A 183 ? 0.7447 0.6765 0.5319 -0.0757 0.0134 0.1173 299 PRO A CG 1421 C CD . PRO A 183 ? 0.6428 0.5992 0.4694 -0.0524 0.0284 0.0931 299 PRO A CD 1422 N N . SER A 184 ? 0.9961 1.0093 0.7525 -0.0234 0.0270 0.0856 300 SER A N 1423 C CA . SER A 184 ? 1.1136 1.0998 0.8547 -0.0070 0.0131 0.0800 300 SER A CA 1424 C C . SER A 184 ? 1.2716 1.2083 0.9837 -0.0252 -0.0058 0.1023 300 SER A C 1425 O O . SER A 184 ? 1.3139 1.1979 1.0362 -0.0163 -0.0225 0.0997 300 SER A O 1426 C CB . SER A 184 ? 1.1452 1.1818 0.8647 0.0053 0.0212 0.0706 300 SER A CB 1427 O OG . SER A 184 ? 1.2063 1.2133 0.9096 0.0214 0.0056 0.0646 300 SER A OG 1428 N N . ASN A 185 ? 1.3859 1.3427 1.0602 -0.0503 -0.0048 0.1243 301 ASN A N 1429 C CA . ASN A 185 ? 1.4950 1.4004 1.1339 -0.0711 -0.0273 0.1483 301 ASN A CA 1430 C C . ASN A 185 ? 1.5283 1.3825 1.1704 -0.0907 -0.0426 0.1631 301 ASN A C 1431 O O . ASN A 185 ? 1.5304 1.3286 1.1867 -0.0736 -0.0599 0.1533 301 ASN A O 1432 C CB . ASN A 185 ? 1.5121 1.4591 1.1068 -0.0977 -0.0228 0.1718 301 ASN A CB 1433 C CG . ASN A 185 ? 1.4470 1.4522 1.0406 -0.1290 -0.0060 0.1896 301 ASN A CG 1434 O OD1 . ASN A 185 ? 1.4117 1.3897 0.9895 -0.1649 -0.0191 0.2177 301 ASN A OD1 1435 N ND2 . ASN A 185 ? 1.4141 1.4989 1.0237 -0.1150 0.0199 0.1731 301 ASN A ND2 1436 N N . GLY A 192 ? 1.5949 1.2041 1.2672 -0.0350 -0.1349 0.1362 324 GLY A N 1437 C CA . GLY A 192 ? 1.6097 1.1597 1.2797 -0.0099 -0.1656 0.1246 324 GLY A CA 1438 C C . GLY A 192 ? 1.4822 1.0590 1.2003 0.0247 -0.1532 0.0965 324 GLY A C 1439 O O . GLY A 192 ? 1.5158 1.0800 1.2463 0.0560 -0.1675 0.0798 324 GLY A O 1440 N N . ASP A 193 ? 1.2904 0.9093 1.0354 0.0183 -0.1271 0.0921 325 ASP A N 1441 C CA . ASP A 193 ? 1.0089 0.6597 0.7978 0.0454 -0.1134 0.0692 325 ASP A CA 1442 C C . ASP A 193 ? 0.7822 0.4979 0.6022 0.0425 -0.0808 0.0640 325 ASP A C 1443 O O . ASP A 193 ? 0.8234 0.5648 0.6465 0.0237 -0.0625 0.0700 325 ASP A O 1444 C CB . ASP A 193 ? 1.0029 0.6336 0.7926 0.0437 -0.1187 0.0666 325 ASP A CB 1445 C CG . ASP A 193 ? 0.9802 0.6346 0.8064 0.0766 -0.1131 0.0426 325 ASP A CG 1446 O OD1 . ASP A 193 ? 0.7577 0.4600 0.6164 0.0917 -0.0968 0.0318 325 ASP A OD1 1447 O OD2 . ASP A 193 ? 1.0115 0.6379 0.8319 0.0864 -0.1269 0.0354 325 ASP A OD2 1448 N N . ILE A 194 ? 0.6813 0.4218 0.5232 0.0615 -0.0771 0.0526 326 ILE A N 1449 C CA . ILE A 194 ? 0.6579 0.4474 0.5227 0.0602 -0.0553 0.0473 326 ILE A CA 1450 C C . ILE A 194 ? 0.7664 0.5890 0.6644 0.0626 -0.0374 0.0380 326 ILE A C 1451 O O . ILE A 194 ? 0.7314 0.5873 0.6432 0.0585 -0.0219 0.0345 326 ILE A O 1452 C CB . ILE A 194 ? 0.6677 0.4686 0.5469 0.0774 -0.0623 0.0393 326 ILE A CB 1453 C CG1 . ILE A 194 ? 0.6872 0.5007 0.5998 0.0989 -0.0683 0.0272 326 ILE A CG1 1454 C CG2 . ILE A 194 ? 0.7282 0.4950 0.5731 0.0761 -0.0811 0.0479 326 ILE A CG2 1455 C CD1 . ILE A 194 ? 0.7114 0.5454 0.6440 0.1117 -0.0760 0.0219 326 ILE A CD1 1456 N N . ARG A 195 ? 0.7755 0.5865 0.6833 0.0714 -0.0423 0.0327 327 ARG A N 1457 C CA . ARG A 195 ? 0.6758 0.5167 0.6123 0.0737 -0.0268 0.0246 327 ARG A CA 1458 C C . ARG A 195 ? 0.6976 0.5252 0.6206 0.0566 -0.0214 0.0312 327 ARG A C 1459 O O . ARG A 195 ? 0.6723 0.5222 0.6148 0.0554 -0.0082 0.0258 327 ARG A O 1460 C CB . ARG A 195 ? 0.5107 0.3618 0.4701 0.0976 -0.0336 0.0123 327 ARG A CB 1461 C CG . ARG A 195 ? 0.5027 0.3847 0.4856 0.1104 -0.0359 0.0075 327 ARG A CG 1462 C CD . ARG A 195 ? 0.4780 0.3803 0.4809 0.1354 -0.0443 -0.0037 327 ARG A CD 1463 N NE . ARG A 195 ? 0.5815 0.5170 0.6066 0.1441 -0.0495 -0.0049 327 ARG A NE 1464 C CZ . ARG A 195 ? 0.5809 0.4971 0.5938 0.1534 -0.0669 -0.0046 327 ARG A CZ 1465 N NH1 . ARG A 195 ? 0.4990 0.3597 0.4750 0.1545 -0.0815 -0.0023 327 ARG A NH1 1466 N NH2 . ARG A 195 ? 0.5961 0.5472 0.6326 0.1593 -0.0721 -0.0048 327 ARG A NH2 1467 N N . LYS A 196 ? 0.6866 0.4778 0.5750 0.0406 -0.0339 0.0448 328 LYS A N 1468 C CA . LYS A 196 ? 0.7154 0.4950 0.5896 0.0183 -0.0323 0.0555 328 LYS A CA 1469 C C . LYS A 196 ? 0.6665 0.4923 0.5470 -0.0003 -0.0093 0.0612 328 LYS A C 1470 O O . LYS A 196 ? 0.5374 0.3832 0.4088 -0.0047 -0.0037 0.0654 328 LYS A O 1471 C CB . LYS A 196 ? 0.9213 0.6462 0.7539 0.0018 -0.0580 0.0727 328 LYS A CB 1472 C CG . LYS A 196 ? 1.0128 0.7213 0.8291 -0.0261 -0.0626 0.0876 328 LYS A CG 1473 C CD . LYS A 196 ? 1.0824 0.7282 0.8536 -0.0466 -0.0953 0.1082 328 LYS A CD 1474 C CE . LYS A 196 ? 1.1236 0.7536 0.8785 -0.0804 -0.1036 0.1271 328 LYS A CE 1475 N NZ . LYS A 196 ? 1.2798 0.8421 0.9864 -0.1065 -0.1415 0.1517 328 LYS A NZ 1476 N N . ALA A 197 ? 0.6177 0.4621 0.5127 -0.0079 0.0025 0.0592 329 ALA A N 1477 C CA . ALA A 197 ? 0.5985 0.4910 0.5012 -0.0212 0.0226 0.0613 329 ALA A CA 1478 C C . ALA A 197 ? 0.6099 0.5052 0.5136 -0.0399 0.0256 0.0685 329 ALA A C 1479 O O . ALA A 197 ? 0.6499 0.5038 0.5460 -0.0423 0.0103 0.0715 329 ALA A O 1480 C CB . ALA A 197 ? 0.4894 0.4165 0.4217 -0.0015 0.0364 0.0434 329 ALA A CB 1481 N N . TYR A 198 ? 0.5625 0.5070 0.4747 -0.0510 0.0427 0.0696 330 TYR A N 1482 C CA . TYR A 198 ? 0.5986 0.5544 0.5147 -0.0707 0.0460 0.0773 330 TYR A CA 1483 C C . TYR A 198 ? 0.5500 0.5670 0.4884 -0.0675 0.0667 0.0671 330 TYR A C 1484 O O . TYR A 198 ? 0.5505 0.6041 0.4919 -0.0552 0.0767 0.0580 330 TYR A O 1485 C CB . TYR A 198 ? 0.6072 0.5520 0.4929 -0.1053 0.0338 0.1043 330 TYR A CB 1486 C CG . TYR A 198 ? 0.7275 0.7107 0.5946 -0.1174 0.0405 0.1164 330 TYR A CG 1487 C CD1 . TYR A 198 ? 0.7921 0.8493 0.6648 -0.1296 0.0593 0.1203 330 TYR A CD1 1488 C CD2 . TYR A 198 ? 0.8083 0.7581 0.6511 -0.1143 0.0272 0.1226 330 TYR A CD2 1489 C CE1 . TYR A 198 ? 0.7500 0.8510 0.6030 -0.1376 0.0662 0.1297 330 TYR A CE1 1490 C CE2 . TYR A 198 ? 0.8116 0.7978 0.6340 -0.1248 0.0331 0.1336 330 TYR A CE2 1491 C CZ . TYR A 198 ? 0.7960 0.8598 0.6229 -0.1361 0.0532 0.1370 330 TYR A CZ 1492 O OH . TYR A 198 ? 0.7960 0.9045 0.6001 -0.1437 0.0598 0.1465 330 TYR A OH 1493 N N . CYS A 199 ? 0.5045 0.5290 0.4563 -0.0762 0.0698 0.0668 331 CYS A N 1494 C CA . CYS A 199 ? 0.5327 0.6138 0.5048 -0.0732 0.0860 0.0569 331 CYS A CA 1495 C C . CYS A 199 ? 0.4980 0.6101 0.4663 -0.1038 0.0878 0.0745 331 CYS A C 1496 O O . CYS A 199 ? 0.4881 0.5643 0.4519 -0.1213 0.0757 0.0858 331 CYS A O 1497 C CB . CYS A 199 ? 0.4489 0.5181 0.4457 -0.0532 0.0884 0.0383 331 CYS A CB 1498 S SG . CYS A 199 ? 0.5210 0.5777 0.5284 -0.0223 0.0877 0.0198 331 CYS A SG 1499 N N . GLU A 200 ? 0.4022 0.5841 0.3716 -0.1097 0.1011 0.0764 332 GLU A N 1500 C CA . GLU A 200 ? 0.4709 0.7015 0.4404 -0.1413 0.1046 0.0951 332 GLU A CA 1501 C C . GLU A 200 ? 0.4759 0.7561 0.4742 -0.1298 0.1165 0.0783 332 GLU A C 1502 O O . GLU A 200 ? 0.4705 0.7811 0.4818 -0.0987 0.1261 0.0539 332 GLU A O 1503 C CB . GLU A 200 ? 0.4933 0.7843 0.4436 -0.1586 0.1116 0.1115 332 GLU A CB 1504 C CG . GLU A 200 ? 0.6288 0.8692 0.5461 -0.1778 0.0961 0.1338 332 GLU A CG 1505 C CD . GLU A 200 ? 0.7823 1.0877 0.6779 -0.1967 0.1037 0.1518 332 GLU A CD 1506 O OE1 . GLU A 200 ? 0.8846 1.2667 0.7941 -0.1788 0.1192 0.1357 332 GLU A OE1 1507 O OE2 . GLU A 200 ? 0.7578 1.0285 0.6229 -0.2233 0.0885 0.1776 332 GLU A OE2 1508 N N . ILE A 201 ? 0.5711 0.8535 0.5772 -0.1546 0.1118 0.0913 333 ILE A N 1509 C CA . ILE A 201 ? 0.4387 0.7657 0.4720 -0.1469 0.1203 0.0775 333 ILE A CA 1510 C C . ILE A 201 ? 0.4957 0.8609 0.5303 -0.1803 0.1152 0.0989 333 ILE A C 1511 O O . ILE A 201 ? 0.5701 0.8936 0.5888 -0.2131 0.0990 0.1240 333 ILE A O 1512 C CB . ILE A 201 ? 0.4835 0.7458 0.5290 -0.1320 0.1119 0.0635 333 ILE A CB 1513 C CG1 . ILE A 201 ? 0.4855 0.7044 0.5302 -0.0981 0.1117 0.0431 333 ILE A CG1 1514 C CG2 . ILE A 201 ? 0.4137 0.7182 0.4850 -0.1254 0.1183 0.0504 333 ILE A CG2 1515 C CD1 . ILE A 201 ? 0.5201 0.6827 0.5732 -0.0858 0.1041 0.0328 333 ILE A CD1 1516 N N . ASN A 202 ? 0.4561 0.8883 0.5067 -0.1675 0.1220 0.0867 334 ASN A N 1517 C CA . ASN A 202 ? 0.4031 0.8751 0.4567 -0.1939 0.1148 0.1036 334 ASN A CA 1518 C C . ASN A 202 ? 0.5588 0.9945 0.6244 -0.2102 0.1047 0.1094 334 ASN A C 1519 O O . ASN A 202 ? 0.4007 0.8460 0.4881 -0.1896 0.1102 0.0892 334 ASN A O 1520 C CB . ASN A 202 ? 0.5722 1.1272 0.6391 -0.1711 0.1241 0.0856 334 ASN A CB 1521 C CG . ASN A 202 ? 0.8337 1.4441 0.9045 -0.1982 0.1179 0.1033 334 ASN A CG 1522 O OD1 . ASN A 202 ? 0.7079 1.2931 0.7831 -0.2244 0.1073 0.1189 334 ASN A OD1 1523 N ND2 . ASN A 202 ? 1.2710 1.9596 1.3392 -0.1924 0.1227 0.1012 334 ASN A ND2 1524 N N . GLY A 203 ? 0.4826 0.8731 0.5312 -0.2470 0.0858 0.1369 335 GLY A N 1525 C CA . GLY A 203 ? 0.5186 0.8602 0.5717 -0.2628 0.0706 0.1431 335 GLY A CA 1526 C C . GLY A 203 ? 0.5586 0.9531 0.6358 -0.2625 0.0733 0.1367 335 GLY A C 1527 O O . GLY A 203 ? 0.6083 0.9732 0.6984 -0.2591 0.0689 0.1284 335 GLY A O 1528 N N . THR A 204 ? 0.5095 0.9836 0.5912 -0.2660 0.0795 0.1405 336 THR A N 1529 C CA . THR A 204 ? 0.4471 0.9799 0.5503 -0.2652 0.0815 0.1350 336 THR A CA 1530 C C . THR A 204 ? 0.4997 1.0428 0.6270 -0.2247 0.0953 0.1013 336 THR A C 1531 O O . THR A 204 ? 0.4913 1.0253 0.6352 -0.2242 0.0911 0.0951 336 THR A O 1532 C CB . THR A 204 ? 0.5606 1.1859 0.6621 -0.2728 0.0860 0.1434 336 THR A CB 1533 O OG1 . THR A 204 ? 0.5743 1.1915 0.6518 -0.3137 0.0701 0.1771 336 THR A OG1 1534 C CG2 . THR A 204 ? 0.4736 1.1612 0.5963 -0.2726 0.0865 0.1385 336 THR A CG2 1535 N N . LYS A 205 ? 0.4901 1.0485 0.6172 -0.1911 0.1085 0.0799 337 LYS A N 1536 C CA . LYS A 205 ? 0.5051 1.0641 0.6493 -0.1511 0.1160 0.0477 337 LYS A CA 1537 C C . LYS A 205 ? 0.4273 0.9148 0.5777 -0.1489 0.1127 0.0422 337 LYS A C 1538 O O . LYS A 205 ? 0.4353 0.9208 0.6033 -0.1371 0.1109 0.0279 337 LYS A O 1539 C CB . LYS A 205 ? 0.4024 0.9758 0.5380 -0.1179 0.1244 0.0282 337 LYS A CB 1540 C CG . LYS A 205 ? 0.5074 1.1608 0.6416 -0.1033 0.1272 0.0193 337 LYS A CG 1541 C CD . LYS A 205 ? 0.7456 1.4004 0.8691 -0.0673 0.1304 -0.0031 337 LYS A CD 1542 C CE . LYS A 205 ? 0.8620 1.5976 0.9823 -0.0479 0.1302 -0.0161 337 LYS A CE 1543 N NZ . LYS A 205 ? 0.8880 1.6808 0.9986 -0.0787 0.1330 0.0097 337 LYS A NZ 1544 N N . TRP A 206 ? 0.4293 0.8609 0.5638 -0.1604 0.1106 0.0533 338 TRP A N 1545 C CA . TRP A 206 ? 0.3500 0.7181 0.4866 -0.1573 0.1078 0.0468 338 TRP A CA 1546 C C . TRP A 206 ? 0.3963 0.7340 0.5389 -0.1778 0.0944 0.0551 338 TRP A C 1547 O O . TRP A 206 ? 0.3877 0.6959 0.5392 -0.1571 0.0918 0.0368 338 TRP A O 1548 C CB . TRP A 206 ? 0.3503 0.6528 0.4606 -0.1618 0.1017 0.0573 338 TRP A CB 1549 C CG . TRP A 206 ? 0.3752 0.5914 0.4769 -0.1474 0.0904 0.0482 338 TRP A CG 1550 C CD1 . TRP A 206 ? 0.4686 0.6189 0.5524 -0.1641 0.0718 0.0612 338 TRP A CD1 1551 C CD2 . TRP A 206 ? 0.3986 0.5897 0.5071 -0.1130 0.0947 0.0241 338 TRP A CD2 1552 N NE1 . TRP A 206 ? 0.4461 0.5406 0.5263 -0.1384 0.0676 0.0443 338 TRP A NE1 1553 C CE2 . TRP A 206 ? 0.5065 0.6274 0.6026 -0.1102 0.0824 0.0241 338 TRP A CE2 1554 C CE3 . TRP A 206 ? 0.3873 0.6074 0.5087 -0.0847 0.1046 0.0033 338 TRP A CE3 1555 C CZ2 . TRP A 206 ? 0.4708 0.5619 0.5695 -0.0837 0.0838 0.0068 338 TRP A CZ2 1556 C CZ3 . TRP A 206 ? 0.4063 0.5852 0.5286 -0.0619 0.1018 -0.0117 338 TRP A CZ3 1557 C CH2 . TRP A 206 ? 0.4505 0.5715 0.5630 -0.0633 0.0935 -0.0084 338 TRP A CH2 1558 N N . ASN A 207 ? 0.4290 0.7600 0.5602 -0.2132 0.0806 0.0816 339 ASN A N 1559 C CA . ASN A 207 ? 0.4481 0.7446 0.5808 -0.2350 0.0626 0.0912 339 ASN A CA 1560 C C . ASN A 207 ? 0.4275 0.7781 0.5876 -0.2250 0.0676 0.0780 339 ASN A C 1561 O O . ASN A 207 ? 0.3836 0.7055 0.5518 -0.2290 0.0580 0.0736 339 ASN A O 1562 C CB . ASN A 207 ? 0.4204 0.6932 0.5297 -0.2717 0.0410 0.1216 339 ASN A CB 1563 C CG . ASN A 207 ? 0.6466 0.8444 0.7244 -0.2809 0.0271 0.1338 339 ASN A CG 1564 O OD1 . ASN A 207 ? 0.7036 0.8396 0.7735 -0.2625 0.0246 0.1204 339 ASN A OD1 1565 N ND2 . ASN A 207 ? 0.7391 0.9391 0.7953 -0.3040 0.0155 0.1567 339 ASN A ND2 1566 N N . LYS A 208 ? 0.3342 0.7602 0.5054 -0.2106 0.0803 0.0706 340 LYS A N 1567 C CA . LYS A 208 ? 0.3846 0.8643 0.5794 -0.1960 0.0836 0.0555 340 LYS A CA 1568 C C . LYS A 208 ? 0.3995 0.8617 0.6089 -0.1620 0.0893 0.0262 340 LYS A C 1569 O O . LYS A 208 ? 0.3810 0.8437 0.6067 -0.1588 0.0837 0.0169 340 LYS A O 1570 C CB . LYS A 208 ? 0.4662 1.0268 0.6629 -0.1842 0.0929 0.0516 340 LYS A CB 1571 C CG . LYS A 208 ? 0.5320 1.1509 0.7498 -0.1657 0.0943 0.0342 340 LYS A CG 1572 C CD . LYS A 208 ? 0.6941 1.3906 0.9085 -0.1480 0.1021 0.0256 340 LYS A CD 1573 C CE . LYS A 208 ? 0.7649 1.5190 0.9973 -0.1265 0.1009 0.0060 340 LYS A CE 1574 N NZ . LYS A 208 ? 0.8333 1.6129 1.0782 -0.1581 0.0934 0.0250 340 LYS A NZ 1575 N N . VAL A 209 ? 0.3273 0.7726 0.5291 -0.1377 0.0983 0.0122 341 VAL A N 1576 C CA . VAL A 209 ? 0.4114 0.8351 0.6220 -0.1057 0.1009 -0.0150 341 VAL A CA 1577 C C . VAL A 209 ? 0.3309 0.6651 0.5290 -0.1092 0.0891 -0.0129 341 VAL A C 1578 O O . VAL A 209 ? 0.2905 0.6047 0.4954 -0.0938 0.0833 -0.0277 341 VAL A O 1579 C CB . VAL A 209 ? 0.3861 0.8018 0.5848 -0.0785 0.1081 -0.0280 341 VAL A CB 1580 C CG1 . VAL A 209 ? 0.2729 0.6339 0.4687 -0.0488 0.1018 -0.0492 341 VAL A CG1 1581 C CG2 . VAL A 209 ? 0.2553 0.7279 0.4512 -0.0597 0.1101 -0.0358 341 VAL A CG2 1582 N N . LEU A 210 ? 0.3070 0.5883 0.4840 -0.1274 0.0836 0.0046 342 LEU A N 1583 C CA . LEU A 210 ? 0.4424 0.6431 0.6032 -0.1258 0.0713 0.0044 342 LEU A CA 1584 C C . LEU A 210 ? 0.4504 0.6435 0.6180 -0.1411 0.0584 0.0080 342 LEU A C 1585 O O . LEU A 210 ? 0.3871 0.5315 0.5476 -0.1290 0.0506 -0.0019 342 LEU A O 1586 C CB . LEU A 210 ? 0.4690 0.6182 0.6040 -0.1394 0.0634 0.0204 342 LEU A CB 1587 C CG . LEU A 210 ? 0.5247 0.5975 0.6400 -0.1237 0.0535 0.0128 342 LEU A CG 1588 C CD1 . LEU A 210 ? 0.4427 0.5143 0.5628 -0.0920 0.0654 -0.0062 342 LEU A CD1 1589 C CD2 . LEU A 210 ? 0.5213 0.5449 0.6099 -0.1343 0.0408 0.0265 342 LEU A CD2 1590 N N . LYS A 211 ? 0.3905 0.6369 0.5716 -0.1690 0.0559 0.0232 343 LYS A N 1591 C CA . LYS A 211 ? 0.4490 0.6978 0.6401 -0.1864 0.0422 0.0280 343 LYS A CA 1592 C C . LYS A 211 ? 0.5071 0.7877 0.7204 -0.1601 0.0481 0.0042 343 LYS A C 1593 O O . LYS A 211 ? 0.5535 0.8020 0.7670 -0.1582 0.0364 -0.0017 343 LYS A O 1594 C CB . LYS A 211 ? 0.4790 0.7884 0.6812 -0.2276 0.0374 0.0541 343 LYS A CB 1595 C CG . LYS A 211 ? 0.7420 1.0428 0.9505 -0.2535 0.0171 0.0653 343 LYS A CG 1596 C CD . LYS A 211 ? 0.9542 1.3322 1.1935 -0.2416 0.0249 0.0533 343 LYS A CD 1597 C CE . LYS A 211 ? 1.0631 1.4279 1.3063 -0.2648 0.0038 0.0644 343 LYS A CE 1598 N NZ . LYS A 211 ? 1.0665 1.5093 1.3400 -0.2532 0.0102 0.0532 343 LYS A NZ 1599 N N . GLN A 212 ? 0.4323 0.7724 0.6610 -0.1382 0.0629 -0.0102 344 GLN A N 1600 C CA . GLN A 212 ? 0.3768 0.7393 0.6218 -0.1087 0.0635 -0.0351 344 GLN A CA 1601 C C . GLN A 212 ? 0.4146 0.6996 0.6425 -0.0858 0.0581 -0.0488 344 GLN A C 1602 O O . GLN A 212 ? 0.3377 0.6085 0.5704 -0.0742 0.0496 -0.0611 344 GLN A O 1603 C CB . GLN A 212 ? 0.3701 0.8046 0.6285 -0.0855 0.0751 -0.0502 344 GLN A CB 1604 C CG . GLN A 212 ? 0.2893 0.8042 0.5598 -0.0965 0.0779 -0.0406 344 GLN A CG 1605 C CD . GLN A 212 ? 0.3013 0.8577 0.5648 -0.0653 0.0839 -0.0557 344 GLN A CD 1606 O OE1 . GLN A 212 ? 0.4261 0.9561 0.6767 -0.0447 0.0874 -0.0666 344 GLN A OE1 1607 N NE2 . GLN A 212 ? 0.2485 0.8697 0.5184 -0.0618 0.0832 -0.0573 344 GLN A NE2 1608 N N . VAL A 213 ? 0.2249 0.4649 0.4325 -0.0807 0.0626 -0.0454 345 VAL A N 1609 C CA . VAL A 213 ? 0.2859 0.4628 0.4768 -0.0636 0.0589 -0.0539 345 VAL A CA 1610 C C . VAL A 213 ? 0.3263 0.4552 0.5054 -0.0746 0.0474 -0.0484 345 VAL A C 1611 O O . VAL A 213 ? 0.3963 0.4955 0.5692 -0.0619 0.0419 -0.0580 345 VAL A O 1612 C CB . VAL A 213 ? 0.2586 0.4074 0.4328 -0.0579 0.0659 -0.0495 345 VAL A CB 1613 C CG1 . VAL A 213 ? 0.2320 0.3299 0.3912 -0.0433 0.0626 -0.0555 345 VAL A CG1 1614 C CG2 . VAL A 213 ? 0.2698 0.4606 0.4520 -0.0449 0.0745 -0.0564 345 VAL A CG2 1615 N N . THR A 214 ? 0.3790 0.4988 0.5520 -0.0990 0.0411 -0.0322 346 THR A N 1616 C CA . THR A 214 ? 0.4158 0.4858 0.5737 -0.1092 0.0248 -0.0278 346 THR A CA 1617 C C . THR A 214 ? 0.4398 0.5244 0.6121 -0.1088 0.0170 -0.0358 346 THR A C 1618 O O . THR A 214 ? 0.4653 0.5075 0.6240 -0.0987 0.0083 -0.0438 346 THR A O 1619 C CB . THR A 214 ? 0.5648 0.6221 0.7131 -0.1400 0.0121 -0.0068 346 THR A CB 1620 O OG1 . THR A 214 ? 0.6988 0.7270 0.8276 -0.1375 0.0145 -0.0007 346 THR A OG1 1621 C CG2 . THR A 214 ? 0.7852 0.7881 0.9166 -0.1496 -0.0112 -0.0042 346 THR A CG2 1622 N N . GLU A 215 ? 0.3897 0.5394 0.5889 -0.1184 0.0198 -0.0343 347 GLU A N 1623 C CA . GLU A 215 ? 0.3449 0.5170 0.5615 -0.1171 0.0113 -0.0428 347 GLU A CA 1624 C C . GLU A 215 ? 0.4172 0.5755 0.6325 -0.0864 0.0128 -0.0637 347 GLU A C 1625 O O . GLU A 215 ? 0.5424 0.6801 0.7561 -0.0819 0.0015 -0.0710 347 GLU A O 1626 C CB . GLU A 215 ? 0.3304 0.5905 0.5785 -0.1306 0.0153 -0.0381 347 GLU A CB 1627 C CG . GLU A 215 ? 0.5192 0.7974 0.7696 -0.1709 0.0078 -0.0118 347 GLU A CG 1628 C CD . GLU A 215 ? 0.7301 0.9607 0.9717 -0.1910 -0.0151 -0.0031 347 GLU A CD 1629 O OE1 . GLU A 215 ? 0.8077 1.0334 1.0571 -0.1775 -0.0220 -0.0175 347 GLU A OE1 1630 O OE2 . GLU A 215 ? 0.8442 1.0374 1.0682 -0.2197 -0.0296 0.0177 347 GLU A OE2 1631 N N . LYS A 216 ? 0.3293 0.4953 0.5428 -0.0672 0.0237 -0.0718 348 LYS A N 1632 C CA . LYS A 216 ? 0.4098 0.5572 0.6184 -0.0424 0.0202 -0.0878 348 LYS A CA 1633 C C . LYS A 216 ? 0.3551 0.4380 0.5371 -0.0396 0.0163 -0.0856 348 LYS A C 1634 O O . LYS A 216 ? 0.4056 0.4672 0.5809 -0.0299 0.0071 -0.0935 348 LYS A O 1635 C CB . LYS A 216 ? 0.3586 0.5273 0.5699 -0.0250 0.0279 -0.0955 348 LYS A CB 1636 C CG . LYS A 216 ? 0.4147 0.5547 0.6162 -0.0036 0.0180 -0.1085 348 LYS A CG 1637 C CD . LYS A 216 ? 0.3199 0.4706 0.5317 0.0070 0.0021 -0.1224 348 LYS A CD 1638 C CE . LYS A 216 ? 0.2870 0.5066 0.5238 0.0188 0.0013 -0.1354 348 LYS A CE 1639 N NZ . LYS A 216 ? 0.3208 0.5491 0.5663 0.0362 -0.0179 -0.1532 348 LYS A NZ 1640 N N . LEU A 217 ? 0.3286 0.3841 0.4942 -0.0470 0.0221 -0.0752 349 LEU A N 1641 C CA . LEU A 217 ? 0.3508 0.3573 0.4907 -0.0413 0.0193 -0.0746 349 LEU A CA 1642 C C . LEU A 217 ? 0.3496 0.3308 0.4805 -0.0466 0.0056 -0.0762 349 LEU A C 1643 O O . LEU A 217 ? 0.4896 0.4431 0.6021 -0.0367 0.0013 -0.0810 349 LEU A O 1644 C CB . LEU A 217 ? 0.3006 0.2873 0.4251 -0.0435 0.0255 -0.0665 349 LEU A CB 1645 C CG . LEU A 217 ? 0.4077 0.4066 0.5333 -0.0343 0.0379 -0.0657 349 LEU A CG 1646 C CD1 . LEU A 217 ? 0.3024 0.2856 0.4157 -0.0375 0.0415 -0.0578 349 LEU A CD1 1647 C CD2 . LEU A 217 ? 0.3563 0.3435 0.4717 -0.0208 0.0388 -0.0703 349 LEU A CD2 1648 N N . LYS A 218 ? 0.4631 0.4573 0.6060 -0.0639 -0.0025 -0.0708 350 LYS A N 1649 C CA . LYS A 218 ? 0.3749 0.3447 0.5108 -0.0713 -0.0194 -0.0717 350 LYS A CA 1650 C C . LYS A 218 ? 0.4325 0.4093 0.5749 -0.0601 -0.0246 -0.0832 350 LYS A C 1651 O O . LYS A 218 ? 0.4353 0.3785 0.5604 -0.0567 -0.0362 -0.0874 350 LYS A O 1652 C CB . LYS A 218 ? 0.3573 0.3493 0.5097 -0.0977 -0.0292 -0.0599 350 LYS A CB 1653 C CG . LYS A 218 ? 0.4641 0.4296 0.6007 -0.1140 -0.0346 -0.0456 350 LYS A CG 1654 C CD . LYS A 218 ? 0.5393 0.5356 0.6937 -0.1474 -0.0456 -0.0284 350 LYS A CD 1655 C CE . LYS A 218 ? 0.6035 0.5762 0.7549 -0.1608 -0.0694 -0.0268 350 LYS A CE 1656 N NZ . LYS A 218 ? 0.7981 0.6884 0.9103 -0.1599 -0.0917 -0.0260 350 LYS A NZ 1657 N N . GLU A 219 ? 0.4192 0.4371 0.5836 -0.0526 -0.0188 -0.0894 351 GLU A N 1658 C CA . GLU A 219 ? 0.5180 0.5386 0.6869 -0.0401 -0.0284 -0.1012 351 GLU A CA 1659 C C . GLU A 219 ? 0.4778 0.4565 0.6189 -0.0279 -0.0295 -0.1033 351 GLU A C 1660 O O . GLU A 219 ? 0.4809 0.4419 0.6131 -0.0228 -0.0418 -0.1089 351 GLU A O 1661 C CB . GLU A 219 ? 0.4219 0.4921 0.6161 -0.0293 -0.0264 -0.1104 351 GLU A CB 1662 C CG . GLU A 219 ? 0.4373 0.5687 0.6618 -0.0405 -0.0247 -0.1087 351 GLU A CG 1663 C CD . GLU A 219 ? 0.5082 0.6964 0.7551 -0.0221 -0.0233 -0.1227 351 GLU A CD 1664 O OE1 . GLU A 219 ? 0.4902 0.6583 0.7266 -0.0009 -0.0276 -0.1339 351 GLU A OE1 1665 O OE2 . GLU A 219 ? 0.5812 0.8361 0.8546 -0.0286 -0.0201 -0.1225 351 GLU A OE2 1666 N N . HIS A 220 ? 0.3848 0.3523 0.5121 -0.0250 -0.0173 -0.0975 352 HIS A N 1667 C CA . HIS A 220 ? 0.3946 0.3368 0.4973 -0.0172 -0.0165 -0.0957 352 HIS A CA 1668 C C . HIS A 220 ? 0.4982 0.4125 0.5742 -0.0166 -0.0155 -0.0930 352 HIS A C 1669 O O . HIS A 220 ? 0.5771 0.4797 0.6310 -0.0108 -0.0152 -0.0913 352 HIS A O 1670 C CB . HIS A 220 ? 0.4313 0.3844 0.5352 -0.0133 -0.0056 -0.0912 352 HIS A CB 1671 C CG . HIS A 220 ? 0.4876 0.4584 0.6079 -0.0075 -0.0122 -0.0971 352 HIS A CG 1672 N ND1 . HIS A 220 ? 0.4657 0.4697 0.6094 -0.0055 -0.0087 -0.1026 352 HIS A ND1 1673 C CD2 . HIS A 220 ? 0.4310 0.3896 0.5443 -0.0019 -0.0257 -0.0992 352 HIS A CD2 1674 C CE1 . HIS A 220 ? 0.4955 0.5080 0.6457 0.0063 -0.0193 -0.1116 352 HIS A CE1 1675 N NE2 . HIS A 220 ? 0.4582 0.4375 0.5894 0.0080 -0.0321 -0.1094 352 HIS A NE2 1676 N N . PHE A 221 ? 0.5262 0.4313 0.6019 -0.0224 -0.0177 -0.0924 353 PHE A N 1677 C CA . PHE A 221 ? 0.3982 0.2714 0.4446 -0.0160 -0.0220 -0.0940 353 PHE A CA 1678 C C . PHE A 221 ? 0.3870 0.2351 0.4274 -0.0226 -0.0406 -0.0975 353 PHE A C 1679 O O . PHE A 221 ? 0.4276 0.2468 0.4510 -0.0225 -0.0500 -0.0979 353 PHE A O 1680 C CB . PHE A 221 ? 0.4617 0.3306 0.5013 -0.0130 -0.0139 -0.0904 353 PHE A CB 1681 C CG . PHE A 221 ? 0.5102 0.3981 0.5471 -0.0035 0.0020 -0.0876 353 PHE A CG 1682 C CD1 . PHE A 221 ? 0.4563 0.3415 0.4680 0.0112 0.0057 -0.0904 353 PHE A CD1 1683 C CD2 . PHE A 221 ? 0.4229 0.3365 0.4820 -0.0092 0.0121 -0.0822 353 PHE A CD2 1684 C CE1 . PHE A 221 ? 0.4657 0.3761 0.4775 0.0159 0.0193 -0.0849 353 PHE A CE1 1685 C CE2 . PHE A 221 ? 0.4245 0.3531 0.4812 -0.0031 0.0233 -0.0781 353 PHE A CE2 1686 C CZ . PHE A 221 ? 0.3964 0.3248 0.4309 0.0073 0.0268 -0.0780 353 PHE A CZ 1687 N N . ASN A 222 ? 0.4201 0.2760 0.4733 -0.0277 -0.0496 -0.1005 354 ASN A N 1688 C CA . ASN A 222 ? 0.4569 0.2893 0.5038 -0.0339 -0.0695 -0.1039 354 ASN A CA 1689 C C . ASN A 222 ? 0.4746 0.2979 0.5293 -0.0516 -0.0811 -0.0971 354 ASN A C 1690 O O . ASN A 222 ? 0.4688 0.2520 0.5022 -0.0538 -0.1007 -0.0990 354 ASN A O 1691 C CB . ASN A 222 ? 0.4451 0.2406 0.4524 -0.0183 -0.0770 -0.1114 354 ASN A CB 1692 C CG . ASN A 222 ? 0.4671 0.2447 0.4682 -0.0205 -0.0961 -0.1171 354 ASN A CG 1693 O OD1 . ASN A 222 ? 0.5217 0.3202 0.5476 -0.0285 -0.1001 -0.1168 354 ASN A OD1 1694 N ND2 . ASN A 222 ? 0.5083 0.2468 0.4747 -0.0103 -0.1102 -0.1243 354 ASN A ND2 1695 N N . ASN A 223 ? 0.4061 0.2654 0.4885 -0.0651 -0.0716 -0.0882 355 ASN A N 1696 C CA . ASN A 223 ? 0.4239 0.2833 0.5155 -0.0892 -0.0829 -0.0759 355 ASN A CA 1697 C C . ASN A 223 ? 0.4639 0.2691 0.5223 -0.0885 -0.0949 -0.0726 355 ASN A C 1698 O O . ASN A 223 ? 0.4997 0.2804 0.5529 -0.1095 -0.1169 -0.0627 355 ASN A O 1699 C CB . ASN A 223 ? 0.4393 0.3073 0.5468 -0.1078 -0.1026 -0.0729 355 ASN A CB 1700 C CG . ASN A 223 ? 0.6393 0.5809 0.7905 -0.1207 -0.0935 -0.0683 355 ASN A CG 1701 O OD1 . ASN A 223 ? 0.4928 0.4739 0.6593 -0.1109 -0.0735 -0.0709 355 ASN A OD1 1702 N ND2 . ASN A 223 ? 0.9125 0.8765 1.0835 -0.1417 -0.1100 -0.0621 355 ASN A ND2 1703 N N . LYS A 224 ? 0.4629 0.2496 0.4978 -0.0647 -0.0839 -0.0807 357 LYS A N 1704 C CA . LYS A 224 ? 0.6048 0.3442 0.6080 -0.0571 -0.0959 -0.0815 357 LYS A CA 1705 C C . LYS A 224 ? 0.4966 0.2484 0.5129 -0.0756 -0.0923 -0.0666 357 LYS A C 1706 O O . LYS A 224 ? 0.4554 0.2599 0.5033 -0.0871 -0.0733 -0.0587 357 LYS A O 1707 C CB . LYS A 224 ? 0.5261 0.2574 0.5037 -0.0242 -0.0836 -0.0952 357 LYS A CB 1708 C CG . LYS A 224 ? 0.6193 0.3348 0.5739 -0.0055 -0.0903 -0.1089 357 LYS A CG 1709 C CD . LYS A 224 ? 0.5638 0.2847 0.4923 0.0251 -0.0777 -0.1201 357 LYS A CD 1710 C CE . LYS A 224 ? 0.6918 0.3757 0.5909 0.0429 -0.0915 -0.1279 357 LYS A CE 1711 N NZ . LYS A 224 ? 0.6839 0.3853 0.5581 0.0766 -0.0798 -0.1412 357 LYS A NZ 1712 N N . THR A 225 ? 0.5439 0.2449 0.5326 -0.0770 -0.1133 -0.0636 358 THR A N 1713 C CA . THR A 225 ? 0.5492 0.2532 0.5436 -0.0969 -0.1146 -0.0473 358 THR A CA 1714 C C . THR A 225 ? 0.5986 0.3256 0.5951 -0.0766 -0.0888 -0.0520 358 THR A C 1715 O O . THR A 225 ? 0.5741 0.2767 0.5458 -0.0466 -0.0880 -0.0664 358 THR A O 1716 C CB . THR A 225 ? 0.6221 0.2521 0.5807 -0.1055 -0.1531 -0.0420 358 THR A CB 1717 O OG1 . THR A 225 ? 0.6733 0.2840 0.6320 -0.1298 -0.1797 -0.0338 358 THR A OG1 1718 C CG2 . THR A 225 ? 0.6337 0.2639 0.5945 -0.1287 -0.1566 -0.0224 358 THR A CG2 1719 N N . ILE A 226 ? 0.6165 0.3953 0.6424 -0.0920 -0.0686 -0.0404 359 ILE A N 1720 C CA . ILE A 226 ? 0.4694 0.2727 0.5004 -0.0757 -0.0452 -0.0436 359 ILE A CA 1721 C C . ILE A 226 ? 0.5622 0.3400 0.5780 -0.0831 -0.0542 -0.0333 359 ILE A C 1722 O O . ILE A 226 ? 0.5596 0.3455 0.5833 -0.1132 -0.0621 -0.0151 359 ILE A O 1723 C CB . ILE A 226 ? 0.4592 0.3289 0.5259 -0.0825 -0.0209 -0.0403 359 ILE A CB 1724 C CG1 . ILE A 226 ? 0.4022 0.2917 0.4825 -0.0768 -0.0180 -0.0498 359 ILE A CG1 1725 C CG2 . ILE A 226 ? 0.3839 0.2719 0.4529 -0.0649 -0.0007 -0.0443 359 ILE A CG2 1726 C CD1 . ILE A 226 ? 0.3731 0.2400 0.4343 -0.0509 -0.0158 -0.0639 359 ILE A CD1 1727 N N . ILE A 227 ? 0.5721 0.3234 0.5656 -0.0562 -0.0539 -0.0442 360 ILE A N 1728 C CA . ILE A 227 ? 0.6022 0.3218 0.5771 -0.0576 -0.0661 -0.0375 360 ILE A CA 1729 C C . ILE A 227 ? 0.6953 0.4478 0.6799 -0.0404 -0.0414 -0.0411 360 ILE A C 1730 O O . ILE A 227 ? 0.5948 0.3660 0.5808 -0.0144 -0.0263 -0.0551 360 ILE A O 1731 C CB . ILE A 227 ? 0.7230 0.3707 0.6561 -0.0369 -0.0980 -0.0497 360 ILE A CB 1732 C CG1 . ILE A 227 ? 0.7283 0.3335 0.6482 -0.0566 -0.1289 -0.0446 360 ILE A CG1 1733 C CG2 . ILE A 227 ? 0.8167 0.4262 0.7278 -0.0344 -0.1145 -0.0448 360 ILE A CG2 1734 C CD1 . ILE A 227 ? 0.8884 0.4145 0.7621 -0.0335 -0.1671 -0.0594 360 ILE A CD1 1735 N N . PHE A 228 ? 0.6477 0.4100 0.6384 -0.0575 -0.0384 -0.0267 361 PHE A N 1736 C CA . PHE A 228 ? 0.5923 0.3785 0.5891 -0.0425 -0.0198 -0.0292 361 PHE A CA 1737 C C . PHE A 228 ? 0.6400 0.3768 0.6068 -0.0277 -0.0392 -0.0323 361 PHE A C 1738 O O . PHE A 228 ? 0.7980 0.4873 0.7433 -0.0438 -0.0664 -0.0221 361 PHE A O 1739 C CB . PHE A 228 ? 0.5354 0.3678 0.5561 -0.0656 -0.0035 -0.0141 361 PHE A CB 1740 C CG . PHE A 228 ? 0.5311 0.4179 0.5816 -0.0690 0.0164 -0.0171 361 PHE A CG 1741 C CD1 . PHE A 228 ? 0.5854 0.4991 0.6481 -0.0484 0.0345 -0.0284 361 PHE A CD1 1742 C CD2 . PHE A 228 ? 0.4808 0.3922 0.5461 -0.0930 0.0136 -0.0082 361 PHE A CD2 1743 C CE1 . PHE A 228 ? 0.4767 0.4301 0.5619 -0.0495 0.0459 -0.0324 361 PHE A CE1 1744 C CE2 . PHE A 228 ? 0.5494 0.5098 0.6405 -0.0907 0.0283 -0.0145 361 PHE A CE2 1745 C CZ . PHE A 228 ? 0.4981 0.4741 0.5972 -0.0677 0.0428 -0.0275 361 PHE A CZ 1746 N N . GLN A 229 ? 0.7627 0.5114 0.7272 0.0026 -0.0280 -0.0457 362 GLN A N 1747 C CA . GLN A 229 ? 0.7352 0.4459 0.6737 0.0233 -0.0453 -0.0524 362 GLN A CA 1748 C C . GLN A 229 ? 0.7809 0.5327 0.7349 0.0371 -0.0233 -0.0542 362 GLN A C 1749 O O . GLN A 229 ? 0.6695 0.4726 0.6477 0.0404 0.0019 -0.0563 362 GLN A O 1750 C CB . GLN A 229 ? 0.6830 0.3603 0.5940 0.0572 -0.0641 -0.0741 362 GLN A CB 1751 C CG . GLN A 229 ? 0.7687 0.3803 0.6516 0.0474 -0.0996 -0.0735 362 GLN A CG 1752 C CD . GLN A 229 ? 0.9638 0.5139 0.8218 0.0308 -0.1323 -0.0606 362 GLN A CD 1753 O OE1 . GLN A 229 ? 0.9920 0.5379 0.8580 -0.0106 -0.1370 -0.0366 362 GLN A OE1 1754 N NE2 . GLN A 229 ? 1.0458 0.5510 0.8722 0.0632 -0.1567 -0.0761 362 GLN A NE2 1755 N N . PRO A 230 ? 0.7410 0.4662 0.6794 0.0434 -0.0363 -0.0523 363 PRO A N 1756 C CA . PRO A 230 ? 0.6161 0.3770 0.5671 0.0590 -0.0193 -0.0552 363 PRO A CA 1757 C C . PRO A 230 ? 0.6468 0.4351 0.5978 0.0953 -0.0122 -0.0749 363 PRO A C 1758 O O . PRO A 230 ? 0.7504 0.5137 0.6800 0.1159 -0.0285 -0.0896 363 PRO A O 1759 C CB . PRO A 230 ? 0.6155 0.3283 0.5420 0.0598 -0.0434 -0.0505 363 PRO A CB 1760 C CG . PRO A 230 ? 0.8005 0.4453 0.6941 0.0585 -0.0786 -0.0530 363 PRO A CG 1761 C CD . PRO A 230 ? 0.7914 0.4487 0.6982 0.0336 -0.0712 -0.0452 363 PRO A CD 1762 N N . PRO A 231 ? 0.5538 0.3962 0.5273 0.1022 0.0102 -0.0745 364 PRO A N 1763 C CA . PRO A 231 ? 0.6364 0.5227 0.6138 0.1312 0.0197 -0.0883 364 PRO A CA 1764 C C . PRO A 231 ? 0.7964 0.6586 0.7459 0.1687 -0.0022 -0.1078 364 PRO A C 1765 O O . PRO A 231 ? 0.8318 0.6535 0.7658 0.1739 -0.0209 -0.1084 364 PRO A O 1766 C CB . PRO A 231 ? 0.5598 0.4940 0.5627 0.1251 0.0384 -0.0790 364 PRO A CB 1767 C CG . PRO A 231 ? 0.5299 0.4552 0.5464 0.0922 0.0455 -0.0626 364 PRO A CG 1768 C CD . PRO A 231 ? 0.4414 0.3099 0.4372 0.0808 0.0264 -0.0596 364 PRO A CD 1769 N N . SER A 232 ? 0.9964 0.8833 0.9368 0.1961 -0.0019 -0.1246 365 SER A N 1770 C CA . SER A 232 ? 1.1679 1.0408 1.0811 0.2318 -0.0246 -0.1439 365 SER A CA 1771 C C . SER A 232 ? 1.1784 1.0991 1.1022 0.2483 -0.0196 -0.1459 365 SER A C 1772 O O . SER A 232 ? 1.2294 1.1165 1.1345 0.2632 -0.0428 -0.1527 365 SER A O 1773 C CB . SER A 232 ? 1.2055 1.1057 1.1086 0.2456 -0.0241 -0.1543 365 SER A CB 1774 O OG . SER A 232 ? 1.1758 1.1551 1.1044 0.2406 0.0055 -0.1480 365 SER A OG 1775 N N . GLY A 233 ? 1.0961 1.0937 1.0486 0.2429 0.0077 -0.1384 366 GLY A N 1776 C CA . GLY A 233 ? 0.9746 1.0246 0.9407 0.2536 0.0130 -0.1376 366 GLY A CA 1777 C C . GLY A 233 ? 0.7765 0.8906 0.7776 0.2310 0.0407 -0.1200 366 GLY A C 1778 O O . GLY A 233 ? 0.6712 0.7845 0.6853 0.2080 0.0546 -0.1090 366 GLY A O 1779 N N . GLY A 234 ? 0.7662 0.9352 0.7814 0.2367 0.0453 -0.1169 367 GLY A N 1780 C CA . GLY A 234 ? 0.7708 0.9977 0.8171 0.2124 0.0653 -0.0977 367 GLY A CA 1781 C C . GLY A 234 ? 0.7626 0.9865 0.8239 0.2079 0.0644 -0.0909 367 GLY A C 1782 O O . GLY A 234 ? 0.9400 1.1200 0.9867 0.2253 0.0489 -0.1014 367 GLY A O 1783 N N . ASP A 235 ? 0.6099 0.8768 0.6978 0.1838 0.0779 -0.0725 368 ASP A N 1784 C CA . ASP A 235 ? 0.5492 0.8183 0.6529 0.1784 0.0768 -0.0648 368 ASP A CA 1785 C C . ASP A 235 ? 0.5149 0.7158 0.6123 0.1661 0.0733 -0.0616 368 ASP A C 1786 O O . ASP A 235 ? 0.4919 0.6548 0.5802 0.1509 0.0749 -0.0593 368 ASP A O 1787 C CB . ASP A 235 ? 0.6862 1.0163 0.8170 0.1522 0.0867 -0.0440 368 ASP A CB 1788 C CG . ASP A 235 ? 0.7638 1.1602 0.8968 0.1569 0.0876 -0.0426 368 ASP A CG 1789 O OD1 . ASP A 235 ? 0.7540 1.1571 0.8721 0.1861 0.0796 -0.0595 368 ASP A OD1 1790 O OD2 . ASP A 235 ? 0.7931 1.2346 0.9398 0.1314 0.0940 -0.0241 368 ASP A OD2 1791 N N . LEU A 236 ? 0.4358 0.6173 0.5351 0.1658 0.0659 -0.0586 369 LEU A N 1792 C CA . LEU A 236 ? 0.4522 0.5670 0.5391 0.1486 0.0595 -0.0527 369 LEU A CA 1793 C C . LEU A 236 ? 0.4333 0.5434 0.5311 0.1161 0.0695 -0.0380 369 LEU A C 1794 O O . LEU A 236 ? 0.4836 0.5492 0.5702 0.1025 0.0676 -0.0353 369 LEU A O 1795 C CB . LEU A 236 ? 0.3494 0.4534 0.4360 0.1543 0.0501 -0.0510 369 LEU A CB 1796 C CG . LEU A 236 ? 0.5593 0.6496 0.6290 0.1888 0.0332 -0.0676 369 LEU A CG 1797 C CD1 . LEU A 236 ? 0.5781 0.6561 0.6482 0.1906 0.0234 -0.0636 369 LEU A CD1 1798 C CD2 . LEU A 236 ? 0.4879 0.5105 0.5253 0.1965 0.0178 -0.0770 369 LEU A CD2 1799 N N . GLU A 237 ? 0.4711 0.6294 0.5898 0.1038 0.0775 -0.0283 370 GLU A N 1800 C CA . GLU A 237 ? 0.4597 0.6097 0.5860 0.0772 0.0809 -0.0168 370 GLU A CA 1801 C C . GLU A 237 ? 0.4506 0.5802 0.5680 0.0714 0.0849 -0.0206 370 GLU A C 1802 O O . GLU A 237 ? 0.5715 0.6802 0.6893 0.0550 0.0849 -0.0164 370 GLU A O 1803 C CB . GLU A 237 ? 0.4584 0.6577 0.6048 0.0627 0.0815 -0.0031 370 GLU A CB 1804 C CG . GLU A 237 ? 0.5274 0.7449 0.6855 0.0614 0.0748 0.0040 370 GLU A CG 1805 C CD . GLU A 237 ? 0.5033 0.7629 0.6668 0.0848 0.0757 -0.0028 370 GLU A CD 1806 O OE1 . GLU A 237 ? 0.4920 0.7746 0.6505 0.1028 0.0813 -0.0129 370 GLU A OE1 1807 O OE2 . GLU A 237 ? 0.3940 0.6648 0.5657 0.0881 0.0693 0.0002 370 GLU A OE2 1808 N N . ILE A 238 ? 0.4356 0.5722 0.5439 0.0879 0.0863 -0.0304 371 ILE A N 1809 C CA . ILE A 238 ? 0.4799 0.5989 0.5793 0.0835 0.0885 -0.0343 371 ILE A CA 1810 C C . ILE A 238 ? 0.4371 0.5037 0.5159 0.0913 0.0805 -0.0439 371 ILE A C 1811 O O . ILE A 238 ? 0.4726 0.5119 0.5471 0.0775 0.0802 -0.0424 371 ILE A O 1812 C CB . ILE A 238 ? 0.7080 0.8705 0.8075 0.0947 0.0934 -0.0382 371 ILE A CB 1813 C CG1 . ILE A 238 ? 0.7146 0.9381 0.8336 0.0844 0.0985 -0.0245 371 ILE A CG1 1814 C CG2 . ILE A 238 ? 0.8442 0.9899 0.9364 0.0855 0.0951 -0.0393 371 ILE A CG2 1815 C CD1 . ILE A 238 ? 0.7532 0.9687 0.8833 0.0542 0.0964 -0.0083 371 ILE A CD1 1816 N N . THR A 239 ? 0.3732 0.4262 0.4388 0.1127 0.0709 -0.0531 372 THR A N 1817 C CA . THR A 239 ? 0.4767 0.4723 0.5178 0.1180 0.0559 -0.0597 372 THR A CA 1818 C C . THR A 239 ? 0.5215 0.4839 0.5602 0.0954 0.0532 -0.0481 372 THR A C 1819 O O . THR A 239 ? 0.5679 0.4875 0.5898 0.0855 0.0426 -0.0458 372 THR A O 1820 C CB . THR A 239 ? 0.4171 0.4002 0.4401 0.1501 0.0399 -0.0742 372 THR A CB 1821 O OG1 . THR A 239 ? 0.6021 0.6017 0.6343 0.1546 0.0398 -0.0706 372 THR A OG1 1822 C CG2 . THR A 239 ? 0.4310 0.4569 0.4535 0.1773 0.0428 -0.0888 372 THR A CG2 1823 N N . MET A 240 ? 0.4364 0.4218 0.4908 0.0862 0.0614 -0.0396 373 MET A N 1824 C CA . MET A 240 ? 0.4062 0.3717 0.4575 0.0675 0.0608 -0.0297 373 MET A CA 1825 C C . MET A 240 ? 0.3819 0.3743 0.4517 0.0516 0.0729 -0.0237 373 MET A C 1826 O O . MET A 240 ? 0.3362 0.3589 0.4214 0.0535 0.0785 -0.0240 373 MET A O 1827 C CB . MET A 240 ? 0.4325 0.3900 0.4778 0.0758 0.0531 -0.0280 373 MET A CB 1828 C CG . MET A 240 ? 0.5464 0.4718 0.5703 0.0964 0.0351 -0.0365 373 MET A CG 1829 S SD . MET A 240 ? 0.6576 0.5719 0.6739 0.1071 0.0235 -0.0349 373 MET A SD 1830 C CE . MET A 240 ? 0.8424 0.7156 0.8393 0.0773 0.0180 -0.0184 373 MET A CE 1831 N N . HIS A 241 ? 0.3314 0.3140 0.3975 0.0362 0.0742 -0.0181 374 HIS A N 1832 C CA . HIS A 241 ? 0.2423 0.2467 0.3211 0.0276 0.0810 -0.0167 374 HIS A CA 1833 C C . HIS A 241 ? 0.3356 0.3496 0.4187 0.0322 0.0789 -0.0144 374 HIS A C 1834 O O . HIS A 241 ? 0.4211 0.4249 0.4936 0.0309 0.0761 -0.0110 374 HIS A O 1835 C CB . HIS A 241 ? 0.2661 0.2690 0.3388 0.0141 0.0833 -0.0136 374 HIS A CB 1836 C CG . HIS A 241 ? 0.2954 0.3213 0.3764 0.0127 0.0869 -0.0165 374 HIS A CG 1837 N ND1 . HIS A 241 ? 0.3431 0.3801 0.4366 0.0172 0.0856 -0.0224 374 HIS A ND1 1838 C CD2 . HIS A 241 ? 0.3619 0.4010 0.4370 0.0092 0.0886 -0.0155 374 HIS A CD2 1839 C CE1 . HIS A 241 ? 0.3196 0.3691 0.4135 0.0196 0.0835 -0.0273 374 HIS A CE1 1840 N NE2 . HIS A 241 ? 0.3778 0.4336 0.4613 0.0165 0.0872 -0.0244 374 HIS A NE2 1841 N N . SER A 242 ? 0.3292 0.3624 0.4262 0.0352 0.0781 -0.0145 375 SER A N 1842 C CA . SER A 242 ? 0.3831 0.4251 0.4855 0.0370 0.0726 -0.0109 375 SER A CA 1843 C C . SER A 242 ? 0.3731 0.4169 0.4791 0.0306 0.0672 -0.0115 375 SER A C 1844 O O . SER A 242 ? 0.3779 0.4246 0.4888 0.0260 0.0661 -0.0135 375 SER A O 1845 C CB . SER A 242 ? 0.3628 0.4295 0.4777 0.0421 0.0708 -0.0075 375 SER A CB 1846 O OG . SER A 242 ? 0.5558 0.6406 0.6809 0.0344 0.0716 -0.0046 375 SER A OG 1847 N N . PHE A 243 ? 0.3765 0.4149 0.4770 0.0328 0.0609 -0.0113 376 PHE A N 1848 C CA . PHE A 243 ? 0.2728 0.3072 0.3712 0.0326 0.0502 -0.0156 376 PHE A CA 1849 C C . PHE A 243 ? 0.3663 0.3945 0.4589 0.0367 0.0401 -0.0140 376 PHE A C 1850 O O . PHE A 243 ? 0.3493 0.3773 0.4392 0.0391 0.0436 -0.0096 376 PHE A O 1851 C CB . PHE A 243 ? 0.3103 0.3458 0.3995 0.0356 0.0555 -0.0250 376 PHE A CB 1852 C CG . PHE A 243 ? 0.4206 0.4590 0.4965 0.0361 0.0648 -0.0240 376 PHE A CG 1853 C CD1 . PHE A 243 ? 0.3676 0.4026 0.4405 0.0293 0.0741 -0.0179 376 PHE A CD1 1854 C CD2 . PHE A 243 ? 0.4578 0.5004 0.5207 0.0424 0.0609 -0.0283 376 PHE A CD2 1855 C CE1 . PHE A 243 ? 0.4874 0.5209 0.5448 0.0240 0.0780 -0.0126 376 PHE A CE1 1856 C CE2 . PHE A 243 ? 0.5497 0.5993 0.5978 0.0387 0.0689 -0.0237 376 PHE A CE2 1857 C CZ . PHE A 243 ? 0.5294 0.5734 0.5749 0.0270 0.0767 -0.0140 376 PHE A CZ 1858 N N . ASN A 244 ? 0.4389 0.4578 0.5273 0.0390 0.0239 -0.0186 377 ASN A N 1859 C CA . ASN A 244 ? 0.4639 0.4727 0.5441 0.0437 0.0105 -0.0184 377 ASN A CA 1860 C C . ASN A 244 ? 0.4969 0.5007 0.5568 0.0569 0.0079 -0.0319 377 ASN A C 1861 O O . ASN A 244 ? 0.3470 0.3478 0.4009 0.0646 -0.0004 -0.0436 377 ASN A O 1862 C CB . ASN A 244 ? 0.5022 0.5011 0.5902 0.0356 -0.0132 -0.0117 377 ASN A CB 1863 C CG . ASN A 244 ? 0.5973 0.5861 0.6799 0.0377 -0.0286 -0.0085 377 ASN A CG 1864 O OD1 . ASN A 244 ? 0.5391 0.5106 0.6030 0.0498 -0.0393 -0.0195 377 ASN A OD1 1865 N ND2 . ASN A 244 ? 0.4917 0.4960 0.5906 0.0275 -0.0305 0.0055 377 ASN A ND2 1866 N N . CYS A 245 ? 0.4542 0.4599 0.5017 0.0612 0.0138 -0.0309 378 CYS A N 1867 C CA . CYS A 245 ? 0.4603 0.4722 0.4860 0.0739 0.0132 -0.0423 378 CYS A CA 1868 C C . CYS A 245 ? 0.4785 0.4750 0.4909 0.0811 -0.0025 -0.0429 378 CYS A C 1869 O O . CYS A 245 ? 0.4272 0.4194 0.4393 0.0756 0.0011 -0.0325 378 CYS A O 1870 C CB . CYS A 245 ? 0.4899 0.5227 0.5071 0.0686 0.0348 -0.0379 378 CYS A CB 1871 S SG . CYS A 245 ? 0.5594 0.6164 0.5479 0.0800 0.0381 -0.0461 378 CYS A SG 1872 N N . ARG A 246 ? 0.5535 0.5381 0.5530 0.0955 -0.0232 -0.0567 379 ARG A N 1873 C CA . ARG A 246 ? 0.6338 0.5988 0.6171 0.1045 -0.0432 -0.0600 379 ARG A CA 1874 C C . ARG A 246 ? 0.6267 0.5737 0.6267 0.0900 -0.0555 -0.0439 379 ARG A C 1875 O O . ARG A 246 ? 0.6062 0.5449 0.5979 0.0919 -0.0625 -0.0403 379 ARG A O 1876 C CB . ARG A 246 ? 0.6109 0.5935 0.5718 0.1122 -0.0296 -0.0620 379 ARG A CB 1877 C CG . ARG A 246 ? 0.6575 0.6733 0.6004 0.1270 -0.0183 -0.0771 379 ARG A CG 1878 C CD . ARG A 246 ? 0.7938 0.8316 0.7121 0.1296 -0.0067 -0.0743 379 ARG A CD 1879 N NE . ARG A 246 ? 0.8997 0.9868 0.8029 0.1401 0.0079 -0.0852 379 ARG A NE 1880 C CZ . ARG A 246 ? 0.9531 1.0745 0.8330 0.1395 0.0205 -0.0811 379 ARG A CZ 1881 N NH1 . ARG A 246 ? 0.9460 1.0474 0.8127 0.1301 0.0183 -0.0673 379 ARG A NH1 1882 N NH2 . ARG A 246 ? 1.0206 1.2006 0.8901 0.1477 0.0345 -0.0898 379 ARG A NH2 1883 N N . GLY A 247 ? 0.6185 0.5654 0.6421 0.0751 -0.0582 -0.0339 380 GLY A N 1884 C CA . GLY A 247 ? 0.5545 0.5013 0.5979 0.0597 -0.0679 -0.0172 380 GLY A CA 1885 C C . GLY A 247 ? 0.4957 0.4681 0.5555 0.0534 -0.0438 -0.0066 380 GLY A C 1886 O O . GLY A 247 ? 0.5495 0.5376 0.6305 0.0428 -0.0467 0.0060 380 GLY A O 1887 N N . GLU A 248 ? 0.4229 0.4018 0.4717 0.0602 -0.0224 -0.0118 381 GLU A N 1888 C CA . GLU A 248 ? 0.4077 0.3986 0.4642 0.0577 -0.0058 -0.0044 381 GLU A CA 1889 C C . GLU A 248 ? 0.5220 0.5263 0.5913 0.0523 0.0091 -0.0034 381 GLU A C 1890 O O . GLU A 248 ? 0.4976 0.5017 0.5613 0.0520 0.0155 -0.0099 381 GLU A O 1891 C CB . GLU A 248 ? 0.3717 0.3540 0.4040 0.0636 0.0026 -0.0065 381 GLU A CB 1892 C CG . GLU A 248 ? 0.4260 0.3953 0.4391 0.0709 -0.0112 -0.0096 381 GLU A CG 1893 C CD . GLU A 248 ? 0.5560 0.5199 0.5791 0.0712 -0.0248 -0.0025 381 GLU A CD 1894 O OE1 . GLU A 248 ? 0.6568 0.6318 0.6983 0.0686 -0.0203 0.0041 381 GLU A OE1 1895 O OE2 . GLU A 248 ? 0.5714 0.5225 0.5833 0.0761 -0.0413 -0.0048 381 GLU A OE2 1896 N N . PHE A 249 ? 0.4205 0.4398 0.5063 0.0505 0.0138 0.0031 382 PHE A N 1897 C CA . PHE A 249 ? 0.4532 0.4850 0.5486 0.0479 0.0264 0.0030 382 PHE A CA 1898 C C . PHE A 249 ? 0.4101 0.4291 0.4908 0.0527 0.0376 0.0001 382 PHE A C 1899 O O . PHE A 249 ? 0.4108 0.4228 0.4857 0.0600 0.0352 0.0015 382 PHE A O 1900 C CB . PHE A 249 ? 0.3672 0.4291 0.4851 0.0465 0.0250 0.0097 382 PHE A CB 1901 C CG . PHE A 249 ? 0.4219 0.4986 0.5546 0.0332 0.0116 0.0183 382 PHE A CG 1902 C CD1 . PHE A 249 ? 0.3731 0.4520 0.5106 0.0295 -0.0048 0.0248 382 PHE A CD1 1903 C CD2 . PHE A 249 ? 0.4730 0.5577 0.6128 0.0220 0.0118 0.0216 382 PHE A CD2 1904 C CE1 . PHE A 249 ? 0.4430 0.5301 0.5918 0.0124 -0.0229 0.0361 382 PHE A CE1 1905 C CE2 . PHE A 249 ? 0.3682 0.4598 0.5175 0.0053 -0.0061 0.0331 382 PHE A CE2 1906 C CZ . PHE A 249 ? 0.4377 0.5297 0.5914 -0.0008 -0.0245 0.0411 382 PHE A CZ 1907 N N . PHE A 250 ? 0.4403 0.4546 0.5139 0.0479 0.0464 -0.0032 383 PHE A N 1908 C CA . PHE A 250 ? 0.4343 0.4345 0.4927 0.0461 0.0532 -0.0024 383 PHE A CA 1909 C C . PHE A 250 ? 0.4047 0.4068 0.4708 0.0466 0.0584 -0.0040 383 PHE A C 1910 O O . PHE A 250 ? 0.3927 0.4092 0.4717 0.0435 0.0628 -0.0065 383 PHE A O 1911 C CB . PHE A 250 ? 0.4309 0.4331 0.4761 0.0385 0.0589 -0.0036 383 PHE A CB 1912 C CG . PHE A 250 ? 0.5739 0.5739 0.6017 0.0396 0.0549 -0.0021 383 PHE A CG 1913 C CD1 . PHE A 250 ? 0.6159 0.6190 0.6460 0.0474 0.0461 -0.0069 383 PHE A CD1 1914 C CD2 . PHE A 250 ? 0.6105 0.6043 0.6166 0.0310 0.0574 0.0055 383 PHE A CD2 1915 C CE1 . PHE A 250 ? 0.5866 0.5876 0.5974 0.0510 0.0415 -0.0074 383 PHE A CE1 1916 C CE2 . PHE A 250 ? 0.6400 0.6368 0.6271 0.0314 0.0545 0.0078 383 PHE A CE2 1917 C CZ . PHE A 250 ? 0.6117 0.6126 0.6009 0.0436 0.0474 -0.0002 383 PHE A CZ 1918 N N . TYR A 251 ? 0.3782 0.3614 0.4328 0.0518 0.0547 -0.0034 384 TYR A N 1919 C CA . TYR A 251 ? 0.3479 0.3261 0.4030 0.0557 0.0559 -0.0074 384 TYR A CA 1920 C C . TYR A 251 ? 0.4660 0.4115 0.4985 0.0461 0.0514 -0.0032 384 TYR A C 1921 O O . TYR A 251 ? 0.5460 0.4629 0.5589 0.0472 0.0395 0.0009 384 TYR A O 1922 C CB . TYR A 251 ? 0.3671 0.3513 0.4264 0.0755 0.0489 -0.0133 384 TYR A CB 1923 C CG . TYR A 251 ? 0.4564 0.4850 0.5408 0.0802 0.0537 -0.0138 384 TYR A CG 1924 C CD1 . TYR A 251 ? 0.4635 0.5076 0.5586 0.0750 0.0513 -0.0081 384 TYR A CD1 1925 C CD2 . TYR A 251 ? 0.4734 0.5298 0.5688 0.0880 0.0584 -0.0185 384 TYR A CD2 1926 C CE1 . TYR A 251 ? 0.4630 0.5475 0.5804 0.0731 0.0515 -0.0040 384 TYR A CE1 1927 C CE2 . TYR A 251 ? 0.4059 0.5101 0.5233 0.0865 0.0618 -0.0142 384 TYR A CE2 1928 C CZ . TYR A 251 ? 0.4494 0.5668 0.5784 0.0769 0.0574 -0.0055 384 TYR A CZ 1929 O OH . TYR A 251 ? 0.5189 0.6835 0.6692 0.0694 0.0569 0.0032 384 TYR A OH 1930 N N . CYS A 252 ? 0.4740 0.4228 0.5084 0.0345 0.0580 -0.0026 385 CYS A N 1931 C CA . CYS A 252 ? 0.4674 0.3924 0.4826 0.0182 0.0527 0.0056 385 CYS A CA 1932 C C . CYS A 252 ? 0.4844 0.3872 0.4939 0.0193 0.0455 0.0022 385 CYS A C 1933 O O . CYS A 252 ? 0.5129 0.4324 0.5373 0.0265 0.0527 -0.0061 385 CYS A O 1934 C CB . CYS A 252 ? 0.4336 0.3867 0.4535 0.0012 0.0642 0.0107 385 CYS A CB 1935 S SG . CYS A 252 ? 0.5807 0.5566 0.5999 0.0037 0.0689 0.0116 385 CYS A SG 1936 N N . ASN A 253 ? 0.4635 0.3244 0.4479 0.0112 0.0280 0.0095 386 ASN A N 1937 C CA . ASN A 253 ? 0.5392 0.3671 0.5112 0.0115 0.0140 0.0066 386 ASN A CA 1938 C C . ASN A 253 ? 0.5865 0.4275 0.5635 -0.0145 0.0206 0.0158 386 ASN A C 1939 O O . ASN A 253 ? 0.5548 0.3971 0.5224 -0.0403 0.0182 0.0321 386 ASN A O 1940 C CB . ASN A 253 ? 0.5826 0.3505 0.5212 0.0118 -0.0154 0.0119 386 ASN A CB 1941 C CG . ASN A 253 ? 0.7690 0.4925 0.6899 0.0237 -0.0374 0.0025 386 ASN A CG 1942 O OD1 . ASN A 253 ? 0.6951 0.4223 0.6212 0.0134 -0.0342 0.0026 386 ASN A OD1 1943 N ND2 . ASN A 253 ? 1.0343 0.7141 0.9323 0.0485 -0.0626 -0.0078 386 ASN A ND2 1944 N N . THR A 254 ? 0.5245 0.3807 0.5164 -0.0082 0.0286 0.0062 387 THR A N 1945 C CA . THR A 254 ? 0.4441 0.3196 0.4453 -0.0296 0.0354 0.0123 387 THR A CA 1946 C C . THR A 254 ? 0.5092 0.3448 0.4942 -0.0388 0.0162 0.0150 387 THR A C 1947 O O . THR A 254 ? 0.5782 0.4298 0.5742 -0.0497 0.0210 0.0154 387 THR A O 1948 C CB . THR A 254 ? 0.3934 0.3113 0.4214 -0.0199 0.0547 0.0011 387 THR A CB 1949 O OG1 . THR A 254 ? 0.4524 0.3611 0.4820 0.0025 0.0529 -0.0118 387 THR A OG1 1950 C CG2 . THR A 254 ? 0.4255 0.3789 0.4671 -0.0158 0.0685 0.0002 387 THR A CG2 1951 N N . THR A 255 ? 0.5209 0.3011 0.4781 -0.0329 -0.0091 0.0159 388 THR A N 1952 C CA . THR A 255 ? 0.6722 0.4010 0.6071 -0.0406 -0.0358 0.0180 388 THR A CA 1953 C C . THR A 255 ? 0.7270 0.4621 0.6612 -0.0826 -0.0406 0.0406 388 THR A C 1954 O O . THR A 255 ? 0.7046 0.4293 0.6387 -0.0932 -0.0492 0.0415 388 THR A O 1955 C CB . THR A 255 ? 0.6296 0.2894 0.5286 -0.0267 -0.0695 0.0153 388 THR A CB 1956 O OG1 . THR A 255 ? 0.6940 0.3602 0.5962 0.0153 -0.0649 -0.0078 388 THR A OG1 1957 C CG2 . THR A 255 ? 0.6484 0.2443 0.5190 -0.0349 -0.1044 0.0172 388 THR A CG2 1958 N N . GLN A 256 ? 0.6757 0.4344 0.6097 -0.1068 -0.0347 0.0593 389 GLN A N 1959 C CA . GLN A 256 ? 0.6393 0.4222 0.5744 -0.1491 -0.0370 0.0838 389 GLN A CA 1960 C C . GLN A 256 ? 0.5416 0.3916 0.5105 -0.1530 -0.0114 0.0784 389 GLN A C 1961 O O . GLN A 256 ? 0.6110 0.4771 0.5840 -0.1820 -0.0172 0.0925 389 GLN A O 1962 C CB . GLN A 256 ? 0.6592 0.4655 0.5857 -0.1710 -0.0331 0.1040 389 GLN A CB 1963 C CG . GLN A 256 ? 0.7015 0.4365 0.5902 -0.1747 -0.0646 0.1145 389 GLN A CG 1964 C CD . GLN A 256 ? 0.8194 0.5798 0.6970 -0.2000 -0.0611 0.1372 389 GLN A CD 1965 O OE1 . GLN A 256 ? 0.8004 0.5756 0.6672 -0.2431 -0.0704 0.1659 389 GLN A OE1 1966 N NE2 . GLN A 256 ? 0.6808 0.4505 0.5606 -0.1750 -0.0481 0.1259 389 GLN A NE2 1967 N N . LEU A 257 ? 0.4447 0.3323 0.4369 -0.1247 0.0137 0.0585 390 LEU A N 1968 C CA . LEU A 257 ? 0.5233 0.4680 0.5448 -0.1230 0.0341 0.0502 390 LEU A CA 1969 C C . LEU A 257 ? 0.5737 0.4964 0.5989 -0.1184 0.0258 0.0412 390 LEU A C 1970 O O . LEU A 257 ? 0.6004 0.5578 0.6424 -0.1314 0.0309 0.0431 390 LEU A O 1971 C CB . LEU A 257 ? 0.4708 0.4489 0.5102 -0.0953 0.0555 0.0329 390 LEU A CB 1972 C CG . LEU A 257 ? 0.4987 0.5125 0.5386 -0.0977 0.0666 0.0384 390 LEU A CG 1973 C CD1 . LEU A 257 ? 0.4304 0.4696 0.4870 -0.0710 0.0815 0.0204 390 LEU A CD1 1974 C CD2 . LEU A 257 ? 0.4206 0.4881 0.4658 -0.1246 0.0720 0.0530 390 LEU A CD2 1975 N N . PHE A 258 ? 0.7126 0.5819 0.7218 -0.0974 0.0126 0.0298 391 PHE A N 1976 C CA . PHE A 258 ? 0.7454 0.5923 0.7535 -0.0885 0.0040 0.0189 391 PHE A CA 1977 C C . PHE A 258 ? 0.9410 0.7207 0.9181 -0.0989 -0.0296 0.0261 391 PHE A C 1978 O O . PHE A 258 ? 0.8563 0.5890 0.8132 -0.0737 -0.0452 0.0117 391 PHE A O 1979 C CB . PHE A 258 ? 0.5325 0.3823 0.5463 -0.0533 0.0155 -0.0022 391 PHE A CB 1980 C CG . PHE A 258 ? 0.4864 0.3908 0.5265 -0.0462 0.0408 -0.0073 391 PHE A CG 1981 C CD1 . PHE A 258 ? 0.4885 0.4257 0.5485 -0.0492 0.0510 -0.0119 391 PHE A CD1 1982 C CD2 . PHE A 258 ? 0.3944 0.3125 0.4373 -0.0362 0.0502 -0.0078 391 PHE A CD2 1983 C CE1 . PHE A 258 ? 0.3695 0.3465 0.4486 -0.0411 0.0669 -0.0178 391 PHE A CE1 1984 C CE2 . PHE A 258 ? 0.3908 0.3500 0.4537 -0.0300 0.0670 -0.0126 391 PHE A CE2 1985 C CZ . PHE A 258 ? 0.4033 0.3892 0.4829 -0.0319 0.0739 -0.0180 391 PHE A CZ 1986 N N . ASN A 259 ? 1.1754 0.9546 1.1478 -0.1367 -0.0427 0.0488 392 ASN A N 1987 C CA . ASN A 259 ? 1.4159 1.1266 1.3558 -0.1571 -0.0817 0.0626 392 ASN A CA 1988 C C . ASN A 259 ? 1.4395 1.1661 1.3897 -0.1903 -0.0902 0.0768 392 ASN A C 1989 O O . ASN A 259 ? 1.4510 1.2217 1.4126 -0.2282 -0.0864 0.1008 392 ASN A O 1990 C CB . ASN A 259 ? 1.6686 1.3636 1.5894 -0.1802 -0.0943 0.0848 392 ASN A CB 1991 C CG . ASN A 259 ? 1.9898 1.6059 1.8722 -0.2071 -0.1415 0.1037 392 ASN A CG 1992 O OD1 . ASN A 259 ? 2.0537 1.6098 1.9162 -0.1946 -0.1690 0.0925 392 ASN A OD1 1993 N ND2 . ASN A 259 ? 2.2304 1.8522 2.1003 -0.2404 -0.1517 0.1309 392 ASN A ND2 1994 N N . ASN A 260 ? 1.4235 1.1198 1.3695 -0.1757 -0.1017 0.0618 393 ASN A N 1995 C CA . ASN A 260 ? 1.3072 1.0268 1.2697 -0.1993 -0.1050 0.0690 393 ASN A CA 1996 C C . ASN A 260 ? 1.3401 1.0594 1.2974 -0.2526 -0.1290 0.1023 393 ASN A C 1997 O O . ASN A 260 ? 1.3642 1.1316 1.3441 -0.2713 -0.1237 0.1095 393 ASN A O 1998 C CB . ASN A 260 ? 1.1776 0.8444 1.1243 -0.1745 -0.1229 0.0483 393 ASN A CB 1999 C CG . ASN A 260 ? 1.1044 0.7855 1.0581 -0.1274 -0.0983 0.0192 393 ASN A CG 2000 O OD1 . ASN A 260 ? 1.0833 0.8181 1.0653 -0.1193 -0.0717 0.0103 393 ASN A OD1 2001 N ND2 . ASN A 260 ? 1.1155 0.7502 1.0424 -0.0967 -0.1096 0.0050 393 ASN A ND2 2002 N N . THR A 261 ? 1.3704 1.0557 1.2990 -0.2623 -0.1504 0.1175 394 THR A N 2003 C CA . THR A 261 ? 1.3641 1.0589 1.2816 -0.2980 -0.1732 0.1453 394 THR A CA 2004 C C . THR A 261 ? 1.2335 1.0306 1.1844 -0.3284 -0.1463 0.1646 394 THR A C 2005 O O . THR A 261 ? 1.2044 1.0304 1.1605 -0.3540 -0.1572 0.1810 394 THR A O 2006 C CB . THR A 261 ? 1.4513 1.0895 1.3290 -0.3028 -0.2037 0.1579 394 THR A CB 2007 O OG1 . THR A 261 ? 1.4832 1.1442 1.3664 -0.2962 -0.1804 0.1575 394 THR A OG1 2008 C CG2 . THR A 261 ? 1.4784 1.0213 1.3193 -0.2698 -0.2384 0.1376 394 THR A CG2 2009 N N . CYS A 262 ? 1.1950 1.0498 1.1670 -0.3222 -0.1124 0.1613 395 CYS A N 2010 C CA . CYS A 262 ? 1.1209 1.0800 1.1214 -0.3403 -0.0862 0.1737 395 CYS A CA 2011 C C . CYS A 262 ? 1.0698 1.0954 1.1103 -0.3290 -0.0602 0.1573 395 CYS A C 2012 O O . CYS A 262 ? 1.0518 1.1523 1.1184 -0.3168 -0.0288 0.1482 395 CYS A O 2013 C CB . CYS A 262 ? 1.0591 1.0539 1.0600 -0.3351 -0.0645 0.1760 395 CYS A CB 2014 S SG . CYS A 262 ? 1.2628 1.2214 1.2229 -0.3615 -0.0930 0.2044 395 CYS A SG 2015 N N . ILE A 263 ? 1.1346 1.1307 1.1773 -0.3301 -0.0762 0.1520 396 ILE A N 2016 C CA . ILE A 263 ? 1.1052 1.1592 1.1839 -0.3210 -0.0574 0.1372 396 ILE A CA 2017 C C . ILE A 263 ? 1.2321 1.3005 1.3143 -0.3442 -0.0759 0.1510 396 ILE A C 2018 O O . ILE A 263 ? 1.2729 1.4263 1.3788 -0.3550 -0.0623 0.1581 396 ILE A O 2019 C CB . ILE A 263 ? 0.9965 1.0017 1.0783 -0.2938 -0.0553 0.1111 396 ILE A CB 2020 C CG1 . ILE A 263 ? 0.8157 0.8271 0.8979 -0.2563 -0.0294 0.0914 396 ILE A CG1 2021 C CG2 . ILE A 263 ? 0.9891 1.0417 1.1019 -0.2861 -0.0452 0.0973 396 ILE A CG2 2022 C CD1 . ILE A 263 ? 0.6984 0.6726 0.7786 -0.2130 -0.0225 0.0614 396 ILE A CD1 2023 N N . ASN A 272 ? 1.0408 1.3158 1.0291 -0.4019 -0.0278 0.2447 411 ASN A N 2024 C CA . ASN A 272 ? 1.0160 1.3979 1.0305 -0.3866 0.0028 0.2329 411 ASN A CA 2025 C C . ASN A 272 ? 0.9139 1.3298 0.9194 -0.3758 0.0183 0.2308 411 ASN A C 2026 O O . ASN A 272 ? 0.9679 1.4612 0.9911 -0.3525 0.0427 0.2141 411 ASN A O 2027 C CB . ASN A 272 ? 1.2118 1.6654 1.2323 -0.4153 -0.0051 0.2522 411 ASN A CB 2028 C CG . ASN A 272 ? 1.3904 1.8317 1.4278 -0.4182 -0.0131 0.2482 411 ASN A CG 2029 O OD1 . ASN A 272 ? 1.4114 1.8174 1.4649 -0.3910 -0.0038 0.2241 411 ASN A OD1 2030 N ND2 . ASN A 272 ? 1.4652 1.9372 1.4983 -0.4529 -0.0317 0.2729 411 ASN A ND2 2031 N N . GLY A 273 ? 0.7555 1.1094 0.7310 -0.3905 0.0010 0.2463 412 GLY A N 2032 C CA . GLY A 273 ? 0.7012 1.0777 0.6646 -0.3826 0.0126 0.2464 412 GLY A CA 2033 C C . GLY A 273 ? 0.7075 1.0593 0.6793 -0.3423 0.0340 0.2187 412 GLY A C 2034 O O . GLY A 273 ? 0.6528 0.9880 0.6448 -0.3190 0.0438 0.1976 412 GLY A O 2035 N N . THR A 274 ? 0.6757 1.0267 0.6312 -0.3354 0.0400 0.2197 413 THR A N 2036 C CA . THR A 274 ? 0.6418 0.9710 0.6016 -0.2996 0.0579 0.1963 413 THR A CA 2037 C C . THR A 274 ? 0.6587 0.8844 0.6043 -0.2987 0.0418 0.1972 413 THR A C 2038 O O . THR A 274 ? 0.7053 0.8663 0.6219 -0.3210 0.0151 0.2172 413 THR A O 2039 C CB . THR A 274 ? 0.6177 0.9778 0.5617 -0.2922 0.0676 0.1975 413 THR A CB 2040 O OG1 . THR A 274 ? 0.5538 1.0126 0.5121 -0.2828 0.0836 0.1892 413 THR A OG1 2041 C CG2 . THR A 274 ? 0.5228 0.8504 0.4665 -0.2586 0.0811 0.1765 413 THR A CG2 2042 N N . ILE A 275 ? 0.6009 0.8109 0.5654 -0.2712 0.0551 0.1742 414 ILE A N 2043 C CA . ILE A 275 ? 0.6488 0.7652 0.6014 -0.2607 0.0403 0.1684 414 ILE A CA 2044 C C . ILE A 275 ? 0.6871 0.7803 0.6308 -0.2284 0.0466 0.1525 414 ILE A C 2045 O O . ILE A 275 ? 0.7054 0.8383 0.6685 -0.1969 0.0680 0.1290 414 ILE A O 2046 C CB . ILE A 275 ? 0.6113 0.7154 0.5900 -0.2338 0.0458 0.1423 414 ILE A CB 2047 C CG1 . ILE A 275 ? 0.6085 0.7357 0.5979 -0.2642 0.0386 0.1564 414 ILE A CG1 2048 C CG2 . ILE A 275 ? 0.7039 0.7165 0.6702 -0.2091 0.0287 0.1280 414 ILE A CG2 2049 C CD1 . ILE A 275 ? 0.5146 0.6330 0.5280 -0.2395 0.0435 0.1320 414 ILE A CD1 2050 N N . THR A 276 ? 0.6312 0.6567 0.5441 -0.2363 0.0242 0.1653 415 THR A N 2051 C CA . THR A 276 ? 0.6135 0.6132 0.5175 -0.2073 0.0265 0.1518 415 THR A CA 2052 C C . THR A 276 ? 0.6383 0.5651 0.5432 -0.1757 0.0132 0.1312 415 THR A C 2053 O O . THR A 276 ? 0.7711 0.6274 0.6524 -0.1830 -0.0153 0.1393 415 THR A O 2054 C CB . THR A 276 ? 0.6484 0.6271 0.5164 -0.2329 0.0101 0.1780 415 THR A CB 2055 O OG1 . THR A 276 ? 0.6906 0.7506 0.5567 -0.2637 0.0242 0.1989 415 THR A OG1 2056 C CG2 . THR A 276 ? 0.6541 0.6109 0.5151 -0.2015 0.0127 0.1628 415 THR A CG2 2057 N N . LEU A 277 ? 0.6164 0.5622 0.5466 -0.1403 0.0315 0.1045 416 LEU A N 2058 C CA . LEU A 277 ? 0.6028 0.4999 0.5375 -0.1095 0.0234 0.0851 416 LEU A CA 2059 C C . LEU A 277 ? 0.6266 0.4945 0.5475 -0.0917 0.0155 0.0813 416 LEU A C 2060 O O . LEU A 277 ? 0.5226 0.4237 0.4471 -0.0868 0.0283 0.0802 416 LEU A O 2061 C CB . LEU A 277 ? 0.5693 0.5028 0.5364 -0.0853 0.0441 0.0628 416 LEU A CB 2062 C CG . LEU A 277 ? 0.5430 0.5125 0.5284 -0.0965 0.0541 0.0617 416 LEU A CG 2063 C CD1 . LEU A 277 ? 0.4080 0.4051 0.4202 -0.0711 0.0700 0.0401 416 LEU A CD1 2064 C CD2 . LEU A 277 ? 0.5124 0.4381 0.4873 -0.1096 0.0353 0.0683 416 LEU A CD2 2065 N N . PRO A 278 ? 0.6029 0.4088 0.5068 -0.0793 -0.0080 0.0776 417 PRO A N 2066 C CA . PRO A 278 ? 0.6353 0.4170 0.5299 -0.0574 -0.0168 0.0707 417 PRO A CA 2067 C C . PRO A 278 ? 0.5973 0.4122 0.5222 -0.0257 0.0017 0.0488 417 PRO A C 2068 O O . PRO A 278 ? 0.5914 0.4130 0.5336 -0.0109 0.0069 0.0352 417 PRO A O 2069 C CB . PRO A 278 ? 0.5900 0.2994 0.4582 -0.0490 -0.0502 0.0692 417 PRO A CB 2070 C CG . PRO A 278 ? 0.6535 0.3563 0.5284 -0.0523 -0.0522 0.0644 417 PRO A CG 2071 C CD . PRO A 278 ? 0.5614 0.3159 0.4510 -0.0832 -0.0314 0.0785 417 PRO A CD 2072 N N . CYS A 279 ? 0.5396 0.3752 0.4689 -0.0178 0.0096 0.0472 418 CYS A N 2073 C CA . CYS A 279 ? 0.5119 0.3787 0.4685 0.0058 0.0230 0.0312 418 CYS A CA 2074 C C . CYS A 279 ? 0.4753 0.3281 0.4269 0.0232 0.0125 0.0276 418 CYS A C 2075 O O . CYS A 279 ? 0.5270 0.3503 0.4533 0.0164 -0.0019 0.0376 418 CYS A O 2076 C CB . CYS A 279 ? 0.5083 0.4231 0.4808 -0.0008 0.0427 0.0301 418 CYS A CB 2077 S SG . CYS A 279 ? 0.6446 0.5881 0.6286 -0.0165 0.0558 0.0308 418 CYS A SG 2078 N N . LYS A 280 ? 0.4801 0.3566 0.4558 0.0436 0.0183 0.0151 419 LYS A N 2079 C CA . LYS A 280 ? 0.5238 0.3999 0.5013 0.0594 0.0101 0.0117 419 LYS A CA 2080 C C . LYS A 280 ? 0.5063 0.4250 0.5123 0.0654 0.0219 0.0063 419 LYS A C 2081 O O . LYS A 280 ? 0.5103 0.4548 0.5369 0.0661 0.0320 0.0014 419 LYS A O 2082 C CB . LYS A 280 ? 0.5954 0.4488 0.5677 0.0821 -0.0070 0.0028 419 LYS A CB 2083 C CG . LYS A 280 ? 0.7714 0.6526 0.7659 0.0985 -0.0002 -0.0099 419 LYS A CG 2084 C CD . LYS A 280 ? 0.8660 0.7308 0.8517 0.1277 -0.0191 -0.0228 419 LYS A CD 2085 C CE . LYS A 280 ? 0.8961 0.7980 0.9008 0.1457 -0.0110 -0.0360 419 LYS A CE 2086 N NZ . LYS A 280 ? 1.0017 0.8938 0.9953 0.1809 -0.0307 -0.0532 419 LYS A NZ 2087 N N . ILE A 281 ? 0.5069 0.4290 0.5114 0.0678 0.0173 0.0085 420 ILE A N 2088 C CA . ILE A 281 ? 0.4659 0.4199 0.4942 0.0719 0.0205 0.0054 420 ILE A CA 2089 C C . ILE A 281 ? 0.5337 0.5061 0.5809 0.0882 0.0138 0.0009 420 ILE A C 2090 O O . ILE A 281 ? 0.6258 0.5847 0.6645 0.1004 0.0014 -0.0004 420 ILE A O 2091 C CB . ILE A 281 ? 0.4735 0.4229 0.4908 0.0685 0.0153 0.0088 420 ILE A CB 2092 C CG1 . ILE A 281 ? 0.4168 0.3628 0.4147 0.0557 0.0233 0.0116 420 ILE A CG1 2093 C CG2 . ILE A 281 ? 0.4656 0.4394 0.5053 0.0708 0.0118 0.0066 420 ILE A CG2 2094 C CD1 . ILE A 281 ? 0.5424 0.4882 0.5249 0.0562 0.0183 0.0122 420 ILE A CD1 2095 N N . LYS A 282 ? 0.4129 0.4204 0.4851 0.0887 0.0209 -0.0013 421 LYS A N 2096 C CA . LYS A 282 ? 0.4291 0.4727 0.5220 0.1032 0.0171 -0.0045 421 LYS A CA 2097 C C . LYS A 282 ? 0.4245 0.5026 0.5401 0.0957 0.0128 0.0027 421 LYS A C 2098 O O . LYS A 282 ? 0.4462 0.5280 0.5681 0.0791 0.0146 0.0085 421 LYS A O 2099 C CB . LYS A 282 ? 0.4650 0.5338 0.5688 0.1084 0.0262 -0.0096 421 LYS A CB 2100 C CG . LYS A 282 ? 0.5309 0.5673 0.6131 0.1227 0.0226 -0.0190 421 LYS A CG 2101 C CD . LYS A 282 ? 0.5644 0.6377 0.6585 0.1399 0.0265 -0.0284 421 LYS A CD 2102 C CE . LYS A 282 ? 0.4997 0.6222 0.6114 0.1609 0.0207 -0.0335 421 LYS A CE 2103 N NZ . LYS A 282 ? 0.7111 0.9038 0.8475 0.1643 0.0317 -0.0339 421 LYS A NZ 2104 N N . GLN A 283 ? 0.3312 0.4325 0.4578 0.1084 0.0035 0.0020 422 GLN A N 2105 C CA . GLN A 283 ? 0.4369 0.5766 0.5876 0.0989 -0.0039 0.0114 422 GLN A CA 2106 C C . GLN A 283 ? 0.4440 0.6489 0.6236 0.0958 0.0025 0.0160 422 GLN A C 2107 O O . GLN A 283 ? 0.4729 0.7068 0.6709 0.0750 -0.0018 0.0294 422 GLN A O 2108 C CB . GLN A 283 ? 0.4600 0.6015 0.6112 0.1127 -0.0178 0.0097 422 GLN A CB 2109 C CG . GLN A 283 ? 0.5640 0.6448 0.6837 0.1145 -0.0255 0.0074 422 GLN A CG 2110 C CD . GLN A 283 ? 0.6255 0.7055 0.7445 0.1282 -0.0416 0.0060 422 GLN A CD 2111 O OE1 . GLN A 283 ? 0.7956 0.8305 0.8868 0.1369 -0.0494 0.0023 422 GLN A OE1 2112 N NE2 . GLN A 283 ? 0.6027 0.7347 0.7522 0.1279 -0.0484 0.0108 422 GLN A NE2 2113 N N . ILE A 284 ? 0.3590 0.5860 0.5394 0.1161 0.0101 0.0055 423 ILE A N 2114 C CA . ILE A 284 ? 0.4192 0.7180 0.6237 0.1167 0.0182 0.0084 423 ILE A CA 2115 C C . ILE A 284 ? 0.3958 0.6846 0.5933 0.1065 0.0308 0.0085 423 ILE A C 2116 O O . ILE A 284 ? 0.4661 0.7126 0.6418 0.1188 0.0351 -0.0036 423 ILE A O 2117 C CB . ILE A 284 ? 0.4559 0.7958 0.6649 0.1519 0.0171 -0.0071 423 ILE A CB 2118 C CG1 . ILE A 284 ? 0.3858 0.7379 0.6033 0.1635 0.0027 -0.0079 423 ILE A CG1 2119 C CG2 . ILE A 284 ? 0.4039 0.8320 0.6369 0.1539 0.0279 -0.0044 423 ILE A CG2 2120 C CD1 . ILE A 284 ? 0.5035 0.9019 0.7269 0.2029 -0.0023 -0.0258 423 ILE A CD1 2121 N N . ILE A 285 ? 0.4137 0.7392 0.6284 0.0817 0.0335 0.0238 424 ILE A N 2122 C CA . ILE A 285 ? 0.4465 0.7568 0.6539 0.0680 0.0421 0.0261 424 ILE A CA 2123 C C . ILE A 285 ? 0.3651 0.7471 0.5920 0.0559 0.0481 0.0379 424 ILE A C 2124 O O . ILE A 285 ? 0.3886 0.8238 0.6369 0.0390 0.0412 0.0548 424 ILE A O 2125 C CB . ILE A 285 ? 0.4986 0.7563 0.6968 0.0442 0.0338 0.0342 424 ILE A CB 2126 C CG1 . ILE A 285 ? 0.5864 0.7807 0.7612 0.0553 0.0321 0.0226 424 ILE A CG1 2127 C CG2 . ILE A 285 ? 0.4750 0.7247 0.6694 0.0290 0.0387 0.0380 424 ILE A CG2 2128 C CD1 . ILE A 285 ? 0.5933 0.7723 0.7672 0.0528 0.0182 0.0266 424 ILE A CD1 2129 N N . ASN A 286 ? 0.2940 0.6800 0.5124 0.0627 0.0597 0.0307 425 ASN A N 2130 C CA . ASN A 286 ? 0.4532 0.8958 0.6835 0.0443 0.0651 0.0448 425 ASN A CA 2131 C C . ASN A 286 ? 0.4186 0.8237 0.6464 0.0091 0.0546 0.0621 425 ASN A C 2132 O O . ASN A 286 ? 0.3402 0.6826 0.5506 0.0084 0.0546 0.0541 425 ASN A O 2133 C CB . ASN A 286 ? 0.5238 0.9727 0.7410 0.0638 0.0784 0.0300 425 ASN A CB 2134 C CG . ASN A 286 ? 0.5726 1.0383 0.7789 0.0985 0.0796 0.0098 425 ASN A CG 2135 O OD1 . ASN A 286 ? 0.5129 1.0241 0.7281 0.1029 0.0754 0.0123 425 ASN A OD1 2136 N ND2 . ASN A 286 ? 0.6636 1.0889 0.8482 0.1227 0.0821 -0.0102 425 ASN A ND2 2137 N N . MET A 287 ? 0.3392 0.7832 0.5836 -0.0199 0.0425 0.0858 426 MET A N 2138 C CA . MET A 287 ? 0.3122 0.7117 0.5507 -0.0519 0.0233 0.1018 426 MET A CA 2139 C C . MET A 287 ? 0.2689 0.6531 0.4957 -0.0639 0.0259 0.1047 426 MET A C 2140 O O . MET A 287 ? 0.4114 0.8532 0.6440 -0.0688 0.0365 0.1125 426 MET A O 2141 C CB . MET A 287 ? 0.2258 0.6694 0.4829 -0.0840 0.0040 0.1298 426 MET A CB 2142 C CG . MET A 287 ? 0.3400 0.7967 0.6096 -0.0742 -0.0022 0.1280 426 MET A CG 2143 S SD . MET A 287 ? 0.4733 0.9798 0.7631 -0.1157 -0.0282 0.1629 426 MET A SD 2144 C CE . MET A 287 ? 1.2017 1.6164 1.4718 -0.1475 -0.0626 0.1754 426 MET A CE 2145 N N . TRP A 288 ? 0.3216 0.6317 0.5309 -0.0668 0.0158 0.0974 427 TRP A N 2146 C CA . TRP A 288 ? 0.3825 0.6696 0.5796 -0.0763 0.0148 0.0981 427 TRP A CA 2147 C C . TRP A 288 ? 0.4387 0.7464 0.6390 -0.1140 -0.0057 0.1267 427 TRP A C 2148 O O . TRP A 288 ? 0.4793 0.7845 0.6710 -0.1255 -0.0067 0.1324 427 TRP A O 2149 C CB . TRP A 288 ? 0.4485 0.6591 0.6278 -0.0662 0.0074 0.0810 427 TRP A CB 2150 C CG . TRP A 288 ? 0.4596 0.6280 0.6333 -0.0770 -0.0198 0.0857 427 TRP A CG 2151 C CD1 . TRP A 288 ? 0.4044 0.5533 0.5768 -0.0645 -0.0238 0.0772 427 TRP A CD1 2152 C CD2 . TRP A 288 ? 0.4112 0.5463 0.5757 -0.1008 -0.0511 0.0988 427 TRP A CD2 2153 N NE1 . TRP A 288 ? 0.3554 0.4632 0.5183 -0.0767 -0.0547 0.0824 427 TRP A NE1 2154 C CE2 . TRP A 288 ? 0.3454 0.4407 0.5027 -0.0986 -0.0739 0.0953 427 TRP A CE2 2155 C CE3 . TRP A 288 ? 0.3340 0.4647 0.4923 -0.1234 -0.0654 0.1132 427 TRP A CE3 2156 C CZ2 . TRP A 288 ? 0.4086 0.4559 0.5515 -0.1158 -0.1132 0.1035 427 TRP A CZ2 2157 C CZ3 . TRP A 288 ? 0.4175 0.4989 0.5618 -0.1432 -0.1049 0.1236 427 TRP A CZ3 2158 C CH2 . TRP A 288 ? 0.4033 0.4417 0.5395 -0.1381 -0.1296 0.1178 427 TRP A CH2 2159 N N . GLN A 289 ? 0.2538 0.5799 0.4651 -0.1355 -0.0249 0.1465 428 GLN A N 2160 C CA . GLN A 289 ? 0.6019 0.9472 0.8152 -0.1784 -0.0502 0.1794 428 GLN A CA 2161 C C . GLN A 289 ? 0.5912 1.0035 0.7984 -0.1794 -0.0326 0.1880 428 GLN A C 2162 O O . GLN A 289 ? 0.5402 0.9556 0.7313 -0.2054 -0.0490 0.2093 428 GLN A O 2163 C CB . GLN A 289 ? 0.6383 0.9746 0.8545 -0.1959 -0.0770 0.1949 428 GLN A CB 2164 C CG . GLN A 289 ? 0.6117 0.8623 0.8161 -0.1897 -0.1026 0.1822 428 GLN A CG 2165 C CD . GLN A 289 ? 0.5749 0.8150 0.7821 -0.1519 -0.0828 0.1550 428 GLN A CD 2166 O OE1 . GLN A 289 ? 0.4599 0.7327 0.6738 -0.1259 -0.0503 0.1390 428 GLN A OE1 2167 N NE2 . GLN A 289 ? 0.5820 0.7728 0.7808 -0.1490 -0.1057 0.1502 428 GLN A NE2 2168 N N . GLY A 290 ? 0.6287 1.0915 0.8454 -0.1489 -0.0030 0.1705 429 GLY A N 2169 C CA . GLY A 290 ? 0.7005 1.2261 0.9096 -0.1427 0.0121 0.1724 429 GLY A CA 2170 C C . GLY A 290 ? 0.7446 1.3342 0.9611 -0.1461 0.0106 0.1841 429 GLY A C 2171 O O . GLY A 290 ? 0.8460 1.4971 1.0562 -0.1440 0.0189 0.1889 429 GLY A O 2172 N N . THR A 291 ? 0.7742 1.3525 1.0041 -0.1512 -0.0011 0.1887 430 THR A N 2173 C CA . THR A 291 ? 0.8854 1.5234 1.1244 -0.1554 -0.0039 0.2004 430 THR A CA 2174 C C . THR A 291 ? 0.8578 1.5504 1.1055 -0.1161 0.0196 0.1769 430 THR A C 2175 O O . THR A 291 ? 0.9954 1.7511 1.2367 -0.1088 0.0294 0.1776 430 THR A O 2176 C CB . THR A 291 ? 1.0076 1.6131 1.2582 -0.1710 -0.0257 0.2109 430 THR A CB 2177 O OG1 . THR A 291 ? 1.0720 1.6353 1.3340 -0.1451 -0.0188 0.1867 430 THR A OG1 2178 C CG2 . THR A 291 ? 1.0347 1.5841 1.2703 -0.2104 -0.0583 0.2363 430 THR A CG2 2179 N N . GLY A 292 ? 0.7097 1.3763 0.9692 -0.0896 0.0254 0.1557 431 GLY A N 2180 C CA . GLY A 292 ? 0.5263 1.2277 0.7893 -0.0490 0.0415 0.1307 431 GLY A CA 2181 C C . GLY A 292 ? 0.4136 1.0630 0.6827 -0.0221 0.0445 0.1083 431 GLY A C 2182 O O . GLY A 292 ? 0.3801 0.9764 0.6421 -0.0169 0.0486 0.0988 431 GLY A O 2183 N N . GLN A 293 ? 0.4293 1.0964 0.7104 -0.0051 0.0416 0.1009 432 GLN A N 2184 C CA . GLN A 293 ? 0.3682 0.9890 0.6532 0.0202 0.0410 0.0824 432 GLN A CA 2185 C C . GLN A 293 ? 0.3740 0.9860 0.6778 0.0017 0.0232 0.0975 432 GLN A C 2186 O O . GLN A 293 ? 0.3468 0.9963 0.6607 -0.0224 0.0121 0.1170 432 GLN A O 2187 C CB . GLN A 293 ? 0.4385 1.0733 0.7153 0.0642 0.0485 0.0555 432 GLN A CB 2188 C CG . GLN A 293 ? 0.5981 1.2281 0.8523 0.0870 0.0604 0.0371 432 GLN A CG 2189 C CD . GLN A 293 ? 0.7895 1.4885 1.0397 0.0803 0.0651 0.0448 432 GLN A CD 2190 O OE1 . GLN A 293 ? 0.7675 1.5246 1.0303 0.0664 0.0606 0.0598 432 GLN A OE1 2191 N NE2 . GLN A 293 ? 0.8894 1.5850 1.1209 0.0900 0.0731 0.0354 432 GLN A NE2 2192 N N . ALA A 294 ? 0.3673 0.9137 0.6648 0.0128 0.0180 0.0872 433 ALA A N 2193 C CA . ALA A 294 ? 0.4631 0.9702 0.7613 -0.0016 -0.0023 0.0958 433 ALA A CA 2194 C C . ALA A 294 ? 0.4762 0.9210 0.7551 0.0288 -0.0026 0.0734 433 ALA A C 2195 O O . ALA A 294 ? 0.5360 0.9348 0.7928 0.0492 0.0086 0.0553 433 ALA A O 2196 C CB . ALA A 294 ? 0.4788 0.9278 0.7646 -0.0345 -0.0180 0.1101 433 ALA A CB 2197 N N . MET A 295 ? 0.3717 0.8151 0.6578 0.0289 -0.0176 0.0769 434 MET A N 2198 C CA . MET A 295 ? 0.3083 0.6918 0.5734 0.0533 -0.0212 0.0596 434 MET A CA 2199 C C . MET A 295 ? 0.4004 0.7228 0.6518 0.0358 -0.0395 0.0664 434 MET A C 2200 O O . MET A 295 ? 0.4038 0.7463 0.6709 0.0137 -0.0575 0.0832 434 MET A O 2201 C CB . MET A 295 ? 0.3606 0.7917 0.6406 0.0791 -0.0242 0.0515 434 MET A CB 2202 C CG . MET A 295 ? 0.2682 0.6337 0.5216 0.1054 -0.0294 0.0337 434 MET A CG 2203 S SD . MET A 295 ? 0.5182 0.9303 0.7867 0.1373 -0.0405 0.0233 434 MET A SD 2204 C CE . MET A 295 ? 0.9009 1.3397 1.1940 0.1075 -0.0596 0.0456 434 MET A CE 2205 N N . TYR A 296 ? 0.4334 0.6839 0.6540 0.0458 -0.0367 0.0534 435 TYR A N 2206 C CA . TYR A 296 ? 0.4546 0.6489 0.6564 0.0366 -0.0529 0.0548 435 TYR A CA 2207 C C . TYR A 296 ? 0.5078 0.6705 0.6922 0.0563 -0.0573 0.0445 435 TYR A C 2208 O O . TYR A 296 ? 0.5527 0.7260 0.7361 0.0772 -0.0492 0.0356 435 TYR A O 2209 C CB . TYR A 296 ? 0.4839 0.6301 0.6629 0.0313 -0.0475 0.0489 435 TYR A CB 2210 C CG . TYR A 296 ? 0.4167 0.5802 0.6076 0.0092 -0.0506 0.0602 435 TYR A CG 2211 C CD1 . TYR A 296 ? 0.3528 0.5478 0.5531 0.0093 -0.0325 0.0602 435 TYR A CD1 2212 C CD2 . TYR A 296 ? 0.5595 0.7025 0.7485 -0.0116 -0.0755 0.0709 435 TYR A CD2 2213 C CE1 . TYR A 296 ? 0.4886 0.6978 0.6970 -0.0127 -0.0369 0.0724 435 TYR A CE1 2214 C CE2 . TYR A 296 ? 0.5196 0.6706 0.7154 -0.0341 -0.0836 0.0833 435 TYR A CE2 2215 C CZ . TYR A 296 ? 0.4574 0.6434 0.6633 -0.0355 -0.0631 0.0848 435 TYR A CZ 2216 O OH . TYR A 296 ? 0.5502 0.7428 0.7601 -0.0597 -0.0726 0.0988 435 TYR A OH 2217 N N . ALA A 297 ? 0.4893 0.6104 0.6566 0.0510 -0.0734 0.0452 436 ALA A N 2218 C CA . ALA A 297 ? 0.5088 0.5966 0.6547 0.0667 -0.0793 0.0375 436 ALA A CA 2219 C C . ALA A 297 ? 0.5467 0.5966 0.6624 0.0793 -0.0634 0.0262 436 ALA A C 2220 O O . ALA A 297 ? 0.5766 0.6169 0.6849 0.0739 -0.0511 0.0234 436 ALA A O 2221 C CB . ALA A 297 ? 0.5592 0.6138 0.6911 0.0583 -0.1016 0.0403 436 ALA A CB 2222 N N . PRO A 298 ? 0.6102 0.6390 0.7082 0.0942 -0.0660 0.0212 437 PRO A N 2223 C CA . PRO A 298 ? 0.5149 0.5048 0.5802 0.1002 -0.0565 0.0156 437 PRO A CA 2224 C C . PRO A 298 ? 0.5829 0.5459 0.6233 0.0907 -0.0531 0.0146 437 PRO A C 2225 O O . PRO A 298 ? 0.4741 0.4350 0.5151 0.0860 -0.0646 0.0151 437 PRO A O 2226 C CB . PRO A 298 ? 0.5904 0.5596 0.6400 0.1133 -0.0700 0.0145 437 PRO A CB 2227 C CG . PRO A 298 ? 0.6411 0.6528 0.7239 0.1220 -0.0794 0.0149 437 PRO A CG 2228 C CD . PRO A 298 ? 0.6511 0.6959 0.7605 0.1050 -0.0805 0.0223 437 PRO A CD 2229 N N . PRO A 299 ? 0.5993 0.5445 0.6173 0.0889 -0.0400 0.0127 438 PRO A N 2230 C CA . PRO A 299 ? 0.6029 0.5378 0.5987 0.0828 -0.0338 0.0100 438 PRO A CA 2231 C C . PRO A 299 ? 0.7448 0.6641 0.7172 0.0867 -0.0466 0.0085 438 PRO A C 2232 O O . PRO A 299 ? 0.6765 0.5823 0.6402 0.0917 -0.0578 0.0119 438 PRO A O 2233 C CB . PRO A 299 ? 0.5368 0.4595 0.5116 0.0783 -0.0214 0.0130 438 PRO A CB 2234 C CG . PRO A 299 ? 0.6514 0.5772 0.6439 0.0821 -0.0195 0.0137 438 PRO A CG 2235 C CD . PRO A 299 ? 0.6118 0.5486 0.6240 0.0929 -0.0328 0.0128 438 PRO A CD 2236 N N . ILE A 300 ? 0.7098 0.6308 0.6703 0.0874 -0.0468 0.0014 439 ILE A N 2237 C CA . ILE A 300 ? 0.7164 0.6247 0.6482 0.0951 -0.0584 -0.0036 439 ILE A CA 2238 C C . ILE A 300 ? 0.7054 0.6106 0.6040 0.0929 -0.0477 0.0012 439 ILE A C 2239 O O . ILE A 300 ? 0.6240 0.5357 0.5213 0.0835 -0.0324 0.0076 439 ILE A O 2240 C CB . ILE A 300 ? 0.7944 0.7069 0.7182 0.1024 -0.0639 -0.0169 439 ILE A CB 2241 C CG1 . ILE A 300 ? 0.7088 0.6428 0.6294 0.1002 -0.0429 -0.0211 439 ILE A CG1 2242 C CG2 . ILE A 300 ? 0.8170 0.7233 0.7674 0.0998 -0.0824 -0.0178 439 ILE A CG2 2243 C CD1 . ILE A 300 ? 0.6902 0.6302 0.6035 0.1125 -0.0501 -0.0378 439 ILE A CD1 2244 N N . ASP A 301 ? 0.7711 0.6657 0.6408 0.0994 -0.0581 0.0000 440 ASP A N 2245 C CA . ASP A 301 ? 0.8317 0.7276 0.6652 0.0934 -0.0498 0.0079 440 ASP A CA 2246 C C . ASP A 301 ? 0.7466 0.6766 0.5635 0.0933 -0.0337 0.0018 440 ASP A C 2247 O O . ASP A 301 ? 0.8146 0.7590 0.6416 0.1049 -0.0343 -0.0134 440 ASP A O 2248 C CB . ASP A 301 ? 0.9540 0.8309 0.7596 0.1008 -0.0666 0.0088 440 ASP A CB 2249 C CG . ASP A 301 ? 1.0197 0.8680 0.8391 0.1010 -0.0825 0.0162 440 ASP A CG 2250 O OD1 . ASP A 301 ? 0.9807 0.8227 0.8160 0.0941 -0.0782 0.0239 440 ASP A OD1 2251 O OD2 . ASP A 301 ? 1.1182 0.9516 0.9320 0.1102 -0.1012 0.0127 440 ASP A OD2 2252 N N . GLY A 302 ? 0.7510 0.6956 0.5416 0.0796 -0.0216 0.0142 441 GLY A N 2253 C CA . GLY A 302 ? 0.7876 0.7794 0.5623 0.0783 -0.0050 0.0104 441 GLY A CA 2254 C C . GLY A 302 ? 0.8174 0.8297 0.6154 0.0659 0.0114 0.0135 441 GLY A C 2255 O O . GLY A 302 ? 0.7446 0.7310 0.5682 0.0584 0.0099 0.0189 441 GLY A O 2256 N N . LYS A 303 ? 0.8277 0.8914 0.6163 0.0659 0.0264 0.0089 442 LYS A N 2257 C CA . LYS A 303 ? 0.7261 0.8153 0.5351 0.0536 0.0416 0.0120 442 LYS A CA 2258 C C . LYS A 303 ? 0.6719 0.7542 0.5132 0.0709 0.0387 -0.0076 442 LYS A C 2259 O O . LYS A 303 ? 0.6645 0.7584 0.5033 0.0947 0.0316 -0.0284 442 LYS A O 2260 C CB . LYS A 303 ? 0.7286 0.8868 0.5184 0.0479 0.0583 0.0139 442 LYS A CB 2261 C CG . LYS A 303 ? 0.7434 0.9327 0.5536 0.0316 0.0732 0.0199 442 LYS A CG 2262 C CD . LYS A 303 ? 0.7562 1.0301 0.5536 0.0327 0.0894 0.0163 442 LYS A CD 2263 C CE . LYS A 303 ? 0.8653 1.1671 0.6642 0.0735 0.0862 -0.0178 442 LYS A CE 2264 N NZ . LYS A 303 ? 0.9596 1.3542 0.7506 0.0814 0.1022 -0.0265 442 LYS A NZ 2265 N N . ILE A 304 ? 0.6478 0.7083 0.5159 0.0593 0.0410 -0.0010 443 ILE A N 2266 C CA . ILE A 304 ? 0.5595 0.6154 0.4569 0.0698 0.0389 -0.0149 443 ILE A CA 2267 C C . ILE A 304 ? 0.6493 0.7383 0.5577 0.0603 0.0548 -0.0141 443 ILE A C 2268 O O . ILE A 304 ? 0.6166 0.6982 0.5311 0.0404 0.0618 0.0010 443 ILE A O 2269 C CB . ILE A 304 ? 0.5793 0.5948 0.5003 0.0659 0.0299 -0.0091 443 ILE A CB 2270 C CG1 . ILE A 304 ? 0.6101 0.5984 0.5229 0.0732 0.0135 -0.0078 443 ILE A CG1 2271 C CG2 . ILE A 304 ? 0.4426 0.4572 0.3908 0.0726 0.0266 -0.0200 443 ILE A CG2 2272 C CD1 . ILE A 304 ? 0.5174 0.4805 0.4535 0.0705 0.0055 -0.0016 443 ILE A CD1 2273 N N . ASN A 305 ? 0.5696 0.6931 0.4790 0.0763 0.0572 -0.0318 444 ASN A N 2274 C CA . ASN A 305 ? 0.5235 0.6892 0.4424 0.0694 0.0721 -0.0326 444 ASN A CA 2275 C C . ASN A 305 ? 0.5394 0.7098 0.4765 0.0885 0.0664 -0.0538 444 ASN A C 2276 O O . ASN A 305 ? 0.5654 0.7306 0.4951 0.1137 0.0514 -0.0735 444 ASN A O 2277 C CB . ASN A 305 ? 0.6270 0.8549 0.5224 0.0672 0.0844 -0.0302 444 ASN A CB 2278 C CG . ASN A 305 ? 0.6178 0.9031 0.5254 0.0624 0.0988 -0.0329 444 ASN A CG 2279 O OD1 . ASN A 305 ? 0.6697 0.9955 0.5784 0.0880 0.0985 -0.0560 444 ASN A OD1 2280 N ND2 . ASN A 305 ? 0.6314 0.9189 0.5472 0.0312 0.1081 -0.0106 444 ASN A ND2 2281 N N . CYS A 306 ? 0.4305 0.6054 0.3886 0.0765 0.0747 -0.0495 445 CYS A N 2282 C CA . CYS A 306 ? 0.3811 0.5614 0.3551 0.0917 0.0690 -0.0675 445 CYS A CA 2283 C C . CYS A 306 ? 0.4147 0.6397 0.3997 0.0809 0.0850 -0.0646 445 CYS A C 2284 O O . CYS A 306 ? 0.4113 0.6275 0.4058 0.0562 0.0942 -0.0464 445 CYS A O 2285 C CB . CYS A 306 ? 0.5306 0.6589 0.5235 0.0880 0.0570 -0.0650 445 CYS A CB 2286 S SG . CYS A 306 ? 0.6963 0.7799 0.6823 0.1025 0.0311 -0.0720 445 CYS A SG 2287 N N . VAL A 307 ? 0.4644 0.7379 0.4471 0.1013 0.0855 -0.0840 446 VAL A N 2288 C CA . VAL A 307 ? 0.4143 0.7378 0.4111 0.0937 0.0986 -0.0838 446 VAL A CA 2289 C C . VAL A 307 ? 0.4032 0.7075 0.4169 0.1107 0.0862 -0.1024 446 VAL A C 2290 O O . VAL A 307 ? 0.4875 0.7950 0.4940 0.1423 0.0703 -0.1276 446 VAL A O 2291 C CB . VAL A 307 ? 0.4596 0.8606 0.4442 0.1032 0.1068 -0.0908 446 VAL A CB 2292 C CG1 . VAL A 307 ? 0.3383 0.7780 0.3412 0.0876 0.1134 -0.0839 446 VAL A CG1 2293 C CG2 . VAL A 307 ? 0.4175 0.8412 0.3805 0.0856 0.1180 -0.0714 446 VAL A CG2 2294 N N . SER A 308 ? 0.4378 0.7178 0.4704 0.0908 0.0901 -0.0904 447 SER A N 2295 C CA . SER A 308 ? 0.4372 0.6923 0.4839 0.1020 0.0774 -0.1037 447 SER A CA 2296 C C . SER A 308 ? 0.3794 0.6756 0.4425 0.0949 0.0879 -0.1044 447 SER A C 2297 O O . SER A 308 ? 0.3652 0.6953 0.4320 0.0717 0.1046 -0.0875 447 SER A O 2298 C CB . SER A 308 ? 0.3621 0.5528 0.4166 0.0875 0.0702 -0.0906 447 SER A CB 2299 O OG . SER A 308 ? 0.3635 0.5224 0.4062 0.0902 0.0612 -0.0869 447 SER A OG 2300 N N . ASN A 309 ? 0.3192 0.6098 0.3899 0.1140 0.0736 -0.1234 448 ASN A N 2301 C CA . ASN A 309 ? 0.3529 0.6630 0.4395 0.1035 0.0782 -0.1204 448 ASN A CA 2302 C C . ASN A 309 ? 0.4267 0.6894 0.5263 0.0872 0.0780 -0.1104 448 ASN A C 2303 O O . ASN A 309 ? 0.3506 0.5620 0.4469 0.0942 0.0616 -0.1144 448 ASN A O 2304 C CB . ASN A 309 ? 0.3626 0.6800 0.4465 0.1288 0.0583 -0.1420 448 ASN A CB 2305 C CG . ASN A 309 ? 0.5328 0.8912 0.6003 0.1484 0.0518 -0.1540 448 ASN A CG 2306 O OD1 . ASN A 309 ? 0.3414 0.7519 0.4078 0.1368 0.0675 -0.1435 448 ASN A OD1 2307 N ND2 . ASN A 309 ? 0.8649 1.1997 0.9181 0.1779 0.0254 -0.1757 448 ASN A ND2 2308 N N . ILE A 310 ? 0.3455 0.6199 0.4562 0.0625 0.0917 -0.0943 449 ILE A N 2309 C CA . ILE A 310 ? 0.3546 0.5855 0.4740 0.0493 0.0887 -0.0862 449 ILE A CA 2310 C C . ILE A 310 ? 0.4135 0.6572 0.5440 0.0626 0.0794 -0.1025 449 ILE A C 2311 O O . ILE A 310 ? 0.2802 0.5755 0.4208 0.0623 0.0860 -0.1069 449 ILE A O 2312 C CB . ILE A 310 ? 0.3099 0.5395 0.4320 0.0206 0.1010 -0.0649 449 ILE A CB 2313 C CG1 . ILE A 310 ? 0.3557 0.5687 0.4636 0.0092 0.1059 -0.0497 449 ILE A CG1 2314 C CG2 . ILE A 310 ? 0.2170 0.4037 0.3447 0.0127 0.0965 -0.0606 449 ILE A CG2 2315 C CD1 . ILE A 310 ? 0.3633 0.5659 0.4673 -0.0178 0.1106 -0.0293 449 ILE A CD1 2316 N N . THR A 311 ? 0.3633 0.5625 0.4916 0.0729 0.0622 -0.1102 450 THR A N 2317 C CA . THR A 311 ? 0.3237 0.5245 0.4580 0.0879 0.0474 -0.1268 450 THR A CA 2318 C C . THR A 311 ? 0.2964 0.4585 0.4358 0.0722 0.0442 -0.1166 450 THR A C 2319 O O . THR A 311 ? 0.2938 0.4520 0.4376 0.0801 0.0318 -0.1270 450 THR A O 2320 C CB . THR A 311 ? 0.3450 0.5230 0.4662 0.1157 0.0210 -0.1466 450 THR A CB 2321 O OG1 . THR A 311 ? 0.3144 0.4358 0.4257 0.1060 0.0097 -0.1347 450 THR A OG1 2322 C CG2 . THR A 311 ? 0.2653 0.4828 0.3762 0.1347 0.0221 -0.1585 450 THR A CG2 2323 N N . GLY A 312 ? 0.2618 0.3976 0.3988 0.0523 0.0541 -0.0977 451 GLY A N 2324 C CA . GLY A 312 ? 0.2849 0.3902 0.4234 0.0398 0.0525 -0.0886 451 GLY A CA 2325 C C . GLY A 312 ? 0.3703 0.4609 0.5057 0.0234 0.0657 -0.0716 451 GLY A C 2326 O O . GLY A 312 ? 0.3106 0.4021 0.4410 0.0216 0.0721 -0.0653 451 GLY A O 2327 N N . ILE A 313 ? 0.3309 0.4067 0.4669 0.0145 0.0674 -0.0660 452 ILE A N 2328 C CA . ILE A 313 ? 0.2920 0.3522 0.4218 0.0054 0.0758 -0.0545 452 ILE A CA 2329 C C . ILE A 313 ? 0.3204 0.3619 0.4457 0.0047 0.0712 -0.0510 452 ILE A C 2330 O O . ILE A 313 ? 0.3662 0.4033 0.4927 0.0045 0.0640 -0.0548 452 ILE A O 2331 C CB . ILE A 313 ? 0.3030 0.3668 0.4328 -0.0049 0.0814 -0.0510 452 ILE A CB 2332 C CG1 . ILE A 313 ? 0.3564 0.4524 0.4920 -0.0095 0.0858 -0.0511 452 ILE A CG1 2333 C CG2 . ILE A 313 ? 0.3452 0.3855 0.4630 -0.0087 0.0840 -0.0425 452 ILE A CG2 2334 C CD1 . ILE A 313 ? 0.4104 0.5129 0.5467 -0.0266 0.0870 -0.0431 452 ILE A CD1 2335 N N . LEU A 314 ? 0.3439 0.3797 0.4636 0.0048 0.0751 -0.0435 453 LEU A N 2336 C CA . LEU A 314 ? 0.3600 0.3931 0.4748 0.0038 0.0739 -0.0384 453 LEU A CA 2337 C C . LEU A 314 ? 0.4259 0.4529 0.5323 0.0071 0.0801 -0.0395 453 LEU A C 2338 O O . LEU A 314 ? 0.4348 0.4570 0.5362 0.0113 0.0837 -0.0389 453 LEU A O 2339 C CB . LEU A 314 ? 0.3197 0.3619 0.4351 0.0034 0.0727 -0.0301 453 LEU A CB 2340 C CG . LEU A 314 ? 0.4291 0.4678 0.5482 0.0003 0.0602 -0.0285 453 LEU A CG 2341 C CD1 . LEU A 314 ? 0.4868 0.5357 0.6074 -0.0034 0.0579 -0.0176 453 LEU A CD1 2342 C CD2 . LEU A 314 ? 0.3651 0.3931 0.4821 -0.0051 0.0452 -0.0289 453 LEU A CD2 2343 N N . LEU A 315 ? 0.3186 0.3409 0.4200 0.0065 0.0776 -0.0420 454 LEU A N 2344 C CA . LEU A 315 ? 0.3506 0.3603 0.4397 0.0126 0.0784 -0.0461 454 LEU A CA 2345 C C . LEU A 315 ? 0.3563 0.3773 0.4346 0.0207 0.0796 -0.0463 454 LEU A C 2346 O O . LEU A 315 ? 0.3900 0.4265 0.4706 0.0147 0.0786 -0.0409 454 LEU A O 2347 C CB . LEU A 315 ? 0.3500 0.3449 0.4397 0.0061 0.0731 -0.0506 454 LEU A CB 2348 C CG . LEU A 315 ? 0.3043 0.3002 0.4032 -0.0032 0.0729 -0.0492 454 LEU A CG 2349 C CD1 . LEU A 315 ? 0.3605 0.3526 0.4630 -0.0120 0.0669 -0.0518 454 LEU A CD1 2350 C CD2 . LEU A 315 ? 0.3135 0.2964 0.4030 -0.0028 0.0731 -0.0451 454 LEU A CD2 2351 N N . THR A 316 ? 0.5000 0.5139 0.5640 0.0348 0.0792 -0.0527 455 THR A N 2352 C CA . THR A 316 ? 0.4806 0.5112 0.5304 0.0481 0.0802 -0.0571 455 THR A CA 2353 C C . THR A 316 ? 0.4751 0.4731 0.5064 0.0581 0.0706 -0.0688 455 THR A C 2354 O O . THR A 316 ? 0.5347 0.5014 0.5576 0.0635 0.0620 -0.0739 455 THR A O 2355 C CB . THR A 316 ? 0.4071 0.4671 0.4535 0.0647 0.0855 -0.0583 455 THR A CB 2356 O OG1 . THR A 316 ? 0.4780 0.5674 0.5418 0.0522 0.0915 -0.0453 455 THR A OG1 2357 C CG2 . THR A 316 ? 0.3267 0.4175 0.3573 0.0821 0.0877 -0.0649 455 THR A CG2 2358 N N . ARG A 317 ? 0.4572 0.4581 0.4795 0.0588 0.0685 -0.0717 456 ARG A N 2359 C CA . ARG A 317 ? 0.4098 0.3768 0.4124 0.0680 0.0561 -0.0832 456 ARG A CA 2360 C C . ARG A 317 ? 0.4820 0.4584 0.4593 0.0974 0.0530 -0.0966 456 ARG A C 2361 O O . ARG A 317 ? 0.4689 0.4929 0.4440 0.1061 0.0637 -0.0952 456 ARG A O 2362 C CB . ARG A 317 ? 0.5431 0.5060 0.5476 0.0552 0.0533 -0.0811 456 ARG A CB 2363 C CG . ARG A 317 ? 0.4958 0.4224 0.4802 0.0626 0.0382 -0.0922 456 ARG A CG 2364 C CD . ARG A 317 ? 0.4423 0.3655 0.4320 0.0484 0.0347 -0.0895 456 ARG A CD 2365 N NE . ARG A 317 ? 0.4488 0.4043 0.4322 0.0503 0.0422 -0.0856 456 ARG A NE 2366 C CZ . ARG A 317 ? 0.4664 0.4265 0.4251 0.0641 0.0390 -0.0929 456 ARG A CZ 2367 N NH1 . ARG A 317 ? 0.4599 0.3879 0.3968 0.0808 0.0261 -0.1075 456 ARG A NH1 2368 N NH2 . ARG A 317 ? 0.3736 0.3693 0.3264 0.0602 0.0460 -0.0848 456 ARG A NH2 2369 N N . ASP A 318 ? 0.4777 0.4106 0.4341 0.1130 0.0359 -0.1095 457 ASP A N 2370 C CA . ASP A 318 ? 0.5454 0.4808 0.4725 0.1487 0.0272 -0.1283 457 ASP A CA 2371 C C . ASP A 318 ? 0.4928 0.4445 0.4030 0.1582 0.0275 -0.1358 457 ASP A C 2372 O O . ASP A 318 ? 0.5981 0.5296 0.5119 0.1388 0.0241 -0.1301 457 ASP A O 2373 C CB . ASP A 318 ? 0.6464 0.5154 0.5495 0.1623 -0.0001 -0.1407 457 ASP A CB 2374 C CG . ASP A 318 ? 0.7925 0.6471 0.7038 0.1589 -0.0031 -0.1351 457 ASP A CG 2375 O OD1 . ASP A 318 ? 0.7456 0.6462 0.6800 0.1525 0.0170 -0.1253 457 ASP A OD1 2376 O OD2 . ASP A 318 ? 0.8730 0.6672 0.7653 0.1612 -0.0285 -0.1394 457 ASP A OD2 2377 N N . GLY A 319 ? 0.6227 0.6159 0.5139 0.1896 0.0313 -0.1490 458 GLY A N 2378 C CA . GLY A 319 ? 0.5476 0.5596 0.4157 0.2039 0.0303 -0.1585 458 GLY A CA 2379 C C . GLY A 319 ? 0.7125 0.6721 0.5481 0.2296 0.0024 -0.1782 458 GLY A C 2380 O O . GLY A 319 ? 0.6876 0.6026 0.5183 0.2359 -0.0163 -0.1826 458 GLY A O 2381 N N . GLY A 320 ? 0.7709 0.7347 0.5849 0.2397 -0.0035 -0.1858 459 GLY A N 2382 C CA . GLY A 320 ? 0.7178 0.6379 0.5019 0.2622 -0.0330 -0.2008 459 GLY A CA 2383 C C . GLY A 320 ? 0.7488 0.5819 0.5261 0.2459 -0.0590 -0.2010 459 GLY A C 2384 O O . GLY A 320 ? 0.8202 0.6059 0.5763 0.2595 -0.0889 -0.2089 459 GLY A O 2385 N N . ALA A 321 ? 0.7624 0.5772 0.5578 0.2157 -0.0507 -0.1909 460 ALA A N 2386 C CA . ALA A 321 ? 0.7662 0.5099 0.5626 0.1924 -0.0743 -0.1859 460 ALA A CA 2387 C C . ALA A 321 ? 0.7872 0.5157 0.5775 0.1810 -0.0801 -0.1865 460 ALA A C 2388 O O . ALA A 321 ? 0.7993 0.4817 0.5972 0.1560 -0.0973 -0.1789 460 ALA A O 2389 C CB . ALA A 321 ? 0.7004 0.4362 0.5297 0.1610 -0.0650 -0.1693 460 ALA A CB 2390 N N . ASN A 322 ? 0.7088 0.4812 0.4859 0.1975 -0.0665 -0.1937 461 ASN A N 2391 C CA . ASN A 322 ? 0.7251 0.4868 0.4937 0.1881 -0.0711 -0.1947 461 ASN A CA 2392 C C . ASN A 322 ? 0.7587 0.4635 0.5080 0.1899 -0.1040 -0.1992 461 ASN A C 2393 O O . ASN A 322 ? 0.8143 0.4925 0.5684 0.1697 -0.1139 -0.1945 461 ASN A O 2394 C CB . ASN A 322 ? 0.8267 0.6531 0.5803 0.2043 -0.0515 -0.1976 461 ASN A CB 2395 C CG . ASN A 322 ? 0.8473 0.7405 0.6331 0.1831 -0.0204 -0.1760 461 ASN A CG 2396 O OD1 . ASN A 322 ? 0.8565 0.7431 0.6775 0.1524 -0.0138 -0.1586 461 ASN A OD1 2397 N ND2 . ASN A 322 ? 0.8278 0.7883 0.6000 0.1993 -0.0033 -0.1767 461 ASN A ND2 2398 N N . ASN A 323 ? 0.7544 0.4425 0.4824 0.2143 -0.1233 -0.2075 462 ASN A N 2399 C CA . ASN A 323 ? 0.8129 0.4465 0.5176 0.2194 -0.1588 -0.2117 462 ASN A CA 2400 C C . ASN A 323 ? 0.9372 0.5139 0.6513 0.1945 -0.1837 -0.1995 462 ASN A C 2401 O O . ASN A 323 ? 0.8881 0.4171 0.5798 0.1996 -0.2181 -0.2010 462 ASN A O 2402 C CB . ASN A 323 ? 0.8815 0.5258 0.5512 0.2635 -0.1731 -0.2291 462 ASN A CB 2403 C CG . ASN A 323 ? 0.8937 0.5974 0.5507 0.2852 -0.1525 -0.2387 462 ASN A CG 2404 O OD1 . ASN A 323 ? 0.8374 0.5501 0.4992 0.2682 -0.1406 -0.2341 462 ASN A OD1 2405 N ND2 . ASN A 323 ? 0.9045 0.6526 0.5448 0.3221 -0.1497 -0.2510 462 ASN A ND2 2406 N N . THR A 324 ? 0.8056 0.3890 0.5508 0.1673 -0.1678 -0.1863 463 THR A N 2407 C CA . THR A 324 ? 0.9114 0.4513 0.6681 0.1378 -0.1880 -0.1707 463 THR A CA 2408 C C . THR A 324 ? 0.8004 0.3505 0.5943 0.0973 -0.1740 -0.1546 463 THR A C 2409 O O . THR A 324 ? 0.8220 0.4084 0.6320 0.0951 -0.1496 -0.1571 463 THR A O 2410 C CB . THR A 324 ? 0.9126 0.4498 0.6694 0.1443 -0.1875 -0.1690 463 THR A CB 2411 O OG1 . THR A 324 ? 0.9326 0.5115 0.7197 0.1335 -0.1535 -0.1639 463 THR A OG1 2412 C CG2 . THR A 324 ? 0.8410 0.3862 0.5664 0.1891 -0.1962 -0.1874 463 THR A CG2 2413 N N . SER A 325 ? 0.7859 0.3075 0.5924 0.0652 -0.1916 -0.1374 464 SER A N 2414 C CA . SER A 325 ? 0.7903 0.3303 0.6346 0.0263 -0.1813 -0.1214 464 SER A CA 2415 C C . SER A 325 ? 0.7131 0.2769 0.5835 0.0116 -0.1608 -0.1128 464 SER A C 2416 O O . SER A 325 ? 0.7317 0.3267 0.6378 -0.0191 -0.1491 -0.0981 464 SER A O 2417 C CB . SER A 325 ? 0.8578 0.3685 0.7047 -0.0047 -0.2108 -0.1041 464 SER A CB 2418 O OG . SER A 325 ? 0.9691 0.4556 0.7926 0.0083 -0.2318 -0.1116 464 SER A OG 2419 N N . ASN A 326 ? 0.7109 0.2730 0.5664 0.0354 -0.1545 -0.1205 465 ASN A N 2420 C CA . ASN A 326 ? 0.7064 0.2984 0.5859 0.0243 -0.1333 -0.1099 465 ASN A CA 2421 C C . ASN A 326 ? 0.6583 0.3112 0.5527 0.0442 -0.0968 -0.1161 465 ASN A C 2422 O O . ASN A 326 ? 0.7259 0.3870 0.5999 0.0746 -0.0924 -0.1324 465 ASN A O 2423 C CB . ASN A 326 ? 0.7684 0.3174 0.6246 0.0306 -0.1541 -0.1088 465 ASN A CB 2424 C CG . ASN A 326 ? 0.9437 0.4522 0.7906 0.0026 -0.1873 -0.0913 465 ASN A CG 2425 O OD1 . ASN A 326 ? 0.9749 0.4894 0.8396 -0.0283 -0.1925 -0.0780 465 ASN A OD1 2426 N ND2 . ASN A 326 ? 0.9901 0.4608 0.8091 0.0132 -0.2119 -0.0903 465 ASN A ND2 2427 N N . GLU A 327 ? 0.6628 0.3607 0.5913 0.0256 -0.0726 -0.1019 466 GLU A N 2428 C CA . GLU A 327 ? 0.5420 0.2900 0.4835 0.0396 -0.0437 -0.1036 466 GLU A CA 2429 C C . GLU A 327 ? 0.5835 0.3394 0.5364 0.0325 -0.0365 -0.0941 466 GLU A C 2430 O O . GLU A 327 ? 0.5877 0.3474 0.5600 0.0056 -0.0368 -0.0798 466 GLU A O 2431 C CB . GLU A 327 ? 0.5347 0.3270 0.5045 0.0261 -0.0244 -0.0973 466 GLU A CB 2432 C CG . GLU A 327 ? 0.6572 0.4461 0.6144 0.0342 -0.0295 -0.1060 466 GLU A CG 2433 C CD . GLU A 327 ? 0.6657 0.4711 0.5995 0.0623 -0.0213 -0.1168 466 GLU A CD 2434 O OE1 . GLU A 327 ? 0.5769 0.4075 0.5120 0.0734 -0.0079 -0.1162 466 GLU A OE1 2435 O OE2 . GLU A 327 ? 0.6505 0.4490 0.5646 0.0728 -0.0283 -0.1255 466 GLU A OE2 2436 N N . THR A 328 ? 0.5194 0.2828 0.4599 0.0571 -0.0304 -0.1021 467 THR A N 2437 C CA . THR A 328 ? 0.6088 0.3738 0.5557 0.0536 -0.0266 -0.0946 467 THR A CA 2438 C C . THR A 328 ? 0.5231 0.3446 0.4964 0.0522 0.0020 -0.0885 467 THR A C 2439 O O . THR A 328 ? 0.5679 0.4223 0.5406 0.0690 0.0149 -0.0948 467 THR A O 2440 C CB . THR A 328 ? 0.5767 0.3063 0.4910 0.0832 -0.0452 -0.1084 467 THR A CB 2441 O OG1 . THR A 328 ? 0.7514 0.4184 0.6353 0.0868 -0.0786 -0.1159 467 THR A OG1 2442 C CG2 . THR A 328 ? 0.6664 0.3881 0.5850 0.0759 -0.0465 -0.0989 467 THR A CG2 2443 N N . PHE A 329 ? 0.5155 0.3495 0.5099 0.0308 0.0097 -0.0751 468 PHE A N 2444 C CA . PHE A 329 ? 0.5094 0.3881 0.5266 0.0284 0.0314 -0.0694 468 PHE A CA 2445 C C . PHE A 329 ? 0.5548 0.4312 0.5712 0.0308 0.0327 -0.0648 468 PHE A C 2446 O O . PHE A 329 ? 0.4864 0.3346 0.4957 0.0188 0.0204 -0.0583 468 PHE A O 2447 C CB . PHE A 329 ? 0.3350 0.2370 0.3775 0.0065 0.0391 -0.0612 468 PHE A CB 2448 C CG . PHE A 329 ? 0.4266 0.3315 0.4713 0.0046 0.0366 -0.0658 468 PHE A CG 2449 C CD1 . PHE A 329 ? 0.4617 0.3398 0.4983 -0.0034 0.0212 -0.0672 468 PHE A CD1 2450 C CD2 . PHE A 329 ? 0.4322 0.3633 0.4854 0.0086 0.0462 -0.0670 468 PHE A CD2 2451 C CE1 . PHE A 329 ? 0.4674 0.3472 0.5055 -0.0044 0.0177 -0.0719 468 PHE A CE1 2452 C CE2 . PHE A 329 ? 0.4965 0.4265 0.5489 0.0065 0.0414 -0.0706 468 PHE A CE2 2453 C CZ . PHE A 329 ? 0.4540 0.3595 0.4996 0.0015 0.0283 -0.0740 468 PHE A CZ 2454 N N . ARG A 330 ? 0.6208 0.5272 0.6433 0.0438 0.0456 -0.0663 469 ARG A N 2455 C CA . ARG A 330 ? 0.4627 0.3701 0.4856 0.0480 0.0471 -0.0628 469 ARG A CA 2456 C C . ARG A 330 ? 0.4678 0.4149 0.5138 0.0401 0.0638 -0.0552 469 ARG A C 2457 O O . ARG A 330 ? 0.4377 0.4131 0.4930 0.0413 0.0722 -0.0551 469 ARG A O 2458 C CB . ARG A 330 ? 0.5170 0.4206 0.5210 0.0773 0.0407 -0.0748 469 ARG A CB 2459 C CG . ARG A 330 ? 0.5004 0.3601 0.4752 0.0932 0.0189 -0.0875 469 ARG A CG 2460 C CD . ARG A 330 ? 0.5449 0.4104 0.5007 0.1301 0.0121 -0.1041 469 ARG A CD 2461 N NE . ARG A 330 ? 0.6715 0.5034 0.5969 0.1530 -0.0085 -0.1215 469 ARG A NE 2462 C CZ . ARG A 330 ? 0.7125 0.4808 0.6079 0.1652 -0.0392 -0.1305 469 ARG A CZ 2463 N NH1 . ARG A 330 ? 0.8303 0.5640 0.7226 0.1536 -0.0516 -0.1212 469 ARG A NH1 2464 N NH2 . ARG A 330 ? 0.6901 0.4256 0.5554 0.1889 -0.0609 -0.1485 469 ARG A NH2 2465 N N . PRO A 331 ? 0.3982 0.3444 0.4505 0.0312 0.0654 -0.0478 470 PRO A N 2466 C CA . PRO A 331 ? 0.3841 0.3609 0.4543 0.0263 0.0766 -0.0424 470 PRO A CA 2467 C C . PRO A 331 ? 0.3812 0.3819 0.4536 0.0405 0.0813 -0.0437 470 PRO A C 2468 O O . PRO A 331 ? 0.4560 0.4519 0.5171 0.0566 0.0773 -0.0487 470 PRO A O 2469 C CB . PRO A 331 ? 0.3917 0.3584 0.4602 0.0180 0.0747 -0.0359 470 PRO A CB 2470 C CG . PRO A 331 ? 0.4693 0.3988 0.5164 0.0225 0.0609 -0.0370 470 PRO A CG 2471 C CD . PRO A 331 ? 0.4638 0.3772 0.5027 0.0245 0.0536 -0.0433 470 PRO A CD 2472 N N . GLY A 332 ? 0.4645 0.4920 0.5503 0.0343 0.0869 -0.0390 471 GLY A N 2473 C CA . GLY A 332 ? 0.5308 0.5907 0.6208 0.0409 0.0905 -0.0356 471 GLY A CA 2474 C C . GLY A 332 ? 0.5854 0.6623 0.6896 0.0284 0.0902 -0.0255 471 GLY A C 2475 O O . GLY A 332 ? 0.6005 0.6646 0.7090 0.0235 0.0881 -0.0244 471 GLY A O 2476 N N . GLY A 333 ? 0.6306 0.7368 0.7395 0.0225 0.0899 -0.0173 472 GLY A N 2477 C CA . GLY A 333 ? 0.5724 0.6888 0.6913 0.0079 0.0829 -0.0054 472 GLY A CA 2478 C C . GLY A 333 ? 0.6461 0.8054 0.7719 0.0068 0.0847 0.0052 472 GLY A C 2479 O O . GLY A 333 ? 0.4754 0.6684 0.5982 0.0168 0.0923 0.0038 472 GLY A O 2480 N N . GLY A 334 ? 0.6386 0.8007 0.7731 -0.0040 0.0763 0.0151 473 GLY A N 2481 C CA . GLY A 334 ? 0.6106 0.8191 0.7552 -0.0100 0.0756 0.0285 473 GLY A CA 2482 C C . GLY A 334 ? 0.6565 0.8754 0.8048 -0.0380 0.0603 0.0489 473 GLY A C 2483 O O . GLY A 334 ? 0.7098 0.9491 0.8675 -0.0516 0.0507 0.0636 473 GLY A O 2484 N N . ASN A 335 ? 0.7538 0.5846 0.6673 0.1532 0.0217 -0.1127 474 ASN A N 2485 C CA . ASN A 335 ? 0.4724 0.3569 0.4052 0.1455 0.0429 -0.1024 474 ASN A CA 2486 C C . ASN A 335 ? 0.4937 0.3937 0.4543 0.1108 0.0394 -0.0878 474 ASN A C 2487 O O . ASN A 335 ? 0.5789 0.4627 0.5299 0.0920 0.0287 -0.0886 474 ASN A O 2488 C CB . ASN A 335 ? 0.5987 0.4772 0.4960 0.1549 0.0469 -0.1129 474 ASN A CB 2489 C CG . ASN A 335 ? 0.7001 0.6316 0.6146 0.1505 0.0692 -0.0995 474 ASN A CG 2490 O OD1 . ASN A 335 ? 0.7348 0.7074 0.6884 0.1435 0.0822 -0.0842 474 ASN A OD1 2491 N ND2 . ASN A 335 ? 0.8065 0.7341 0.6903 0.1534 0.0709 -0.1042 474 ASN A ND2 2492 N N . ILE A 336 ? 0.3621 0.2949 0.3568 0.1042 0.0476 -0.0750 475 ILE A N 2493 C CA . ILE A 336 ? 0.2924 0.2373 0.3086 0.0767 0.0447 -0.0637 475 ILE A CA 2494 C C . ILE A 336 ? 0.4416 0.4072 0.4621 0.0642 0.0528 -0.0601 475 ILE A C 2495 O O . ILE A 336 ? 0.4950 0.4639 0.5254 0.0448 0.0491 -0.0550 475 ILE A O 2496 C CB . ILE A 336 ? 0.3542 0.3252 0.3994 0.0754 0.0486 -0.0536 475 ILE A CB 2497 C CG1 . ILE A 336 ? 0.4570 0.4065 0.4976 0.0911 0.0384 -0.0561 475 ILE A CG1 2498 C CG2 . ILE A 336 ? 0.3722 0.3480 0.4289 0.0510 0.0441 -0.0455 475 ILE A CG2 2499 C CD1 . ILE A 336 ? 0.5391 0.4423 0.5596 0.0795 0.0196 -0.0574 475 ILE A CD1 2500 N N . LYS A 337 ? 0.3407 0.3205 0.3521 0.0775 0.0642 -0.0620 476 LYS A N 2501 C CA . LYS A 337 ? 0.3987 0.3917 0.4094 0.0679 0.0691 -0.0573 476 LYS A CA 2502 C C . LYS A 337 ? 0.3899 0.3569 0.3829 0.0569 0.0539 -0.0637 476 LYS A C 2503 O O . LYS A 337 ? 0.4676 0.4450 0.4708 0.0435 0.0527 -0.0581 476 LYS A O 2504 C CB . LYS A 337 ? 0.4252 0.4368 0.4230 0.0847 0.0839 -0.0556 476 LYS A CB 2505 C CG . LYS A 337 ? 0.3825 0.4344 0.4106 0.0866 0.1002 -0.0414 476 LYS A CG 2506 C CD . LYS A 337 ? 0.4517 0.5279 0.4667 0.1019 0.1177 -0.0354 476 LYS A CD 2507 C CE . LYS A 337 ? 0.5207 0.6429 0.5736 0.0981 0.1329 -0.0162 476 LYS A CE 2508 N NZ . LYS A 337 ? 0.5959 0.7453 0.6371 0.1074 0.1491 -0.0058 476 LYS A NZ 2509 N N . ASP A 338 ? 0.3813 0.3137 0.3497 0.0628 0.0402 -0.0749 477 ASP A N 2510 C CA . ASP A 338 ? 0.4470 0.3548 0.4043 0.0479 0.0211 -0.0789 477 ASP A CA 2511 C C . ASP A 338 ? 0.4257 0.3447 0.4122 0.0245 0.0169 -0.0682 477 ASP A C 2512 O O . ASP A 338 ? 0.5011 0.4257 0.4952 0.0095 0.0088 -0.0647 477 ASP A O 2513 C CB . ASP A 338 ? 0.4739 0.3344 0.3997 0.0563 0.0031 -0.0926 477 ASP A CB 2514 C CG . ASP A 338 ? 0.5734 0.4198 0.4603 0.0828 0.0063 -0.1069 477 ASP A CG 2515 O OD1 . ASP A 338 ? 0.5472 0.4167 0.4269 0.0869 0.0166 -0.1044 477 ASP A OD1 2516 O OD2 . ASP A 338 ? 0.6712 0.4821 0.5316 0.1012 -0.0014 -0.1205 477 ASP A OD2 2517 N N . ASN A 339 ? 0.3900 0.3157 0.3924 0.0228 0.0225 -0.0625 478 ASN A N 2518 C CA . ASN A 339 ? 0.3539 0.2937 0.3778 0.0039 0.0222 -0.0523 478 ASN A CA 2519 C C . ASN A 339 ? 0.4265 0.3992 0.4687 -0.0007 0.0334 -0.0475 478 ASN A C 2520 O O . ASN A 339 ? 0.3179 0.3039 0.3728 -0.0135 0.0318 -0.0423 478 ASN A O 2521 C CB . ASN A 339 ? 0.3689 0.3076 0.3991 0.0053 0.0245 -0.0474 478 ASN A CB 2522 C CG . ASN A 339 ? 0.4624 0.3632 0.4758 0.0096 0.0103 -0.0501 478 ASN A CG 2523 O OD1 . ASN A 339 ? 0.5171 0.3925 0.5105 0.0234 0.0037 -0.0608 478 ASN A OD1 2524 N ND2 . ASN A 339 ? 0.4355 0.3289 0.4530 -0.0007 0.0046 -0.0404 478 ASN A ND2 2525 N N . TRP A 340 ? 0.3426 0.3289 0.3872 0.0104 0.0445 -0.0481 479 TRP A N 2526 C CA . TRP A 340 ? 0.3787 0.3863 0.4378 0.0075 0.0519 -0.0438 479 TRP A CA 2527 C C . TRP A 340 ? 0.3755 0.3840 0.4291 0.0071 0.0470 -0.0445 479 TRP A C 2528 O O . TRP A 340 ? 0.3664 0.3890 0.4338 0.0028 0.0475 -0.0412 479 TRP A O 2529 C CB . TRP A 340 ? 0.3061 0.3253 0.3723 0.0148 0.0621 -0.0403 479 TRP A CB 2530 C CG . TRP A 340 ? 0.4110 0.4320 0.4836 0.0177 0.0640 -0.0392 479 TRP A CG 2531 C CD1 . TRP A 340 ? 0.2961 0.3282 0.3739 0.0274 0.0707 -0.0361 479 TRP A CD1 2532 C CD2 . TRP A 340 ? 0.3286 0.3441 0.4041 0.0115 0.0585 -0.0392 479 TRP A CD2 2533 N NE1 . TRP A 340 ? 0.3297 0.3640 0.4172 0.0284 0.0677 -0.0350 479 TRP A NE1 2534 C CE2 . TRP A 340 ? 0.3856 0.4065 0.4685 0.0186 0.0594 -0.0370 479 TRP A CE2 2535 C CE3 . TRP A 340 ? 0.3079 0.3187 0.3812 0.0009 0.0537 -0.0386 479 TRP A CE3 2536 C CZ2 . TRP A 340 ? 0.3461 0.3622 0.4306 0.0156 0.0526 -0.0350 479 TRP A CZ2 2537 C CZ3 . TRP A 340 ? 0.3481 0.3544 0.4197 -0.0028 0.0496 -0.0356 479 TRP A CZ3 2538 C CH2 . TRP A 340 ? 0.3791 0.3853 0.4546 0.0047 0.0476 -0.0343 479 TRP A CH2 2539 N N . ARG A 341 ? 0.3090 0.3016 0.3402 0.0140 0.0408 -0.0497 480 ARG A N 2540 C CA . ARG A 341 ? 0.4315 0.4213 0.4520 0.0132 0.0310 -0.0510 480 ARG A CA 2541 C C . ARG A 341 ? 0.3972 0.3916 0.4337 -0.0021 0.0181 -0.0489 480 ARG A C 2542 O O . ARG A 341 ? 0.4600 0.4689 0.5068 -0.0052 0.0126 -0.0452 480 ARG A O 2543 C CB . ARG A 341 ? 0.3000 0.2653 0.2848 0.0244 0.0238 -0.0603 480 ARG A CB 2544 C CG . ARG A 341 ? 0.4310 0.4030 0.3995 0.0416 0.0393 -0.0593 480 ARG A CG 2545 C CD . ARG A 341 ? 0.4245 0.3729 0.3498 0.0574 0.0336 -0.0711 480 ARG A CD 2546 N NE . ARG A 341 ? 0.5476 0.5125 0.4582 0.0749 0.0528 -0.0669 480 ARG A NE 2547 C CZ . ARG A 341 ? 0.6668 0.6361 0.5725 0.0912 0.0659 -0.0704 480 ARG A CZ 2548 N NH1 . ARG A 341 ? 0.7949 0.7459 0.7056 0.0935 0.0592 -0.0795 480 ARG A NH1 2549 N NH2 . ARG A 341 ? 0.8347 0.8291 0.7320 0.1057 0.0857 -0.0627 480 ARG A NH2 2550 N N . SER A 342 ? 0.3121 0.2970 0.3531 -0.0119 0.0131 -0.0488 481 SER A N 2551 C CA . SER A 342 ? 0.3484 0.3428 0.4080 -0.0300 0.0021 -0.0424 481 SER A CA 2552 C C . SER A 342 ? 0.3341 0.3673 0.4240 -0.0331 0.0139 -0.0342 481 SER A C 2553 O O . SER A 342 ? 0.3113 0.3671 0.4234 -0.0449 0.0084 -0.0267 481 SER A O 2554 C CB . SER A 342 ? 0.3101 0.2838 0.3661 -0.0410 -0.0047 -0.0400 481 SER A CB 2555 O OG . SER A 342 ? 0.3926 0.3755 0.4551 -0.0380 0.0101 -0.0361 481 SER A OG 2556 N N . GLU A 343 ? 0.3478 0.3890 0.4393 -0.0217 0.0293 -0.0356 482 GLU A N 2557 C CA . GLU A 343 ? 0.3580 0.4271 0.4704 -0.0191 0.0397 -0.0321 482 GLU A CA 2558 C C . GLU A 343 ? 0.2217 0.2943 0.3357 -0.0064 0.0420 -0.0337 482 GLU A C 2559 O O . GLU A 343 ? 0.4776 0.5703 0.6090 -0.0010 0.0453 -0.0321 482 GLU A O 2560 C CB . GLU A 343 ? 0.3438 0.4125 0.4539 -0.0179 0.0511 -0.0329 482 GLU A CB 2561 C CG . GLU A 343 ? 0.2798 0.3473 0.3884 -0.0307 0.0493 -0.0273 482 GLU A CG 2562 C CD . GLU A 343 ? 0.3614 0.4601 0.4902 -0.0411 0.0509 -0.0181 482 GLU A CD 2563 O OE1 . GLU A 343 ? 0.4080 0.5343 0.5512 -0.0326 0.0603 -0.0187 482 GLU A OE1 2564 O OE2 . GLU A 343 ? 0.4351 0.5312 0.5669 -0.0574 0.0422 -0.0092 482 GLU A OE2 2565 N N . LEU A 344 ? 0.2687 0.3220 0.3639 -0.0003 0.0405 -0.0357 483 LEU A N 2566 C CA . LEU A 344 ? 0.3300 0.3822 0.4234 0.0094 0.0424 -0.0328 483 LEU A CA 2567 C C . LEU A 344 ? 0.3972 0.4479 0.4808 0.0119 0.0305 -0.0304 483 LEU A C 2568 O O . LEU A 344 ? 0.3841 0.4305 0.4606 0.0194 0.0304 -0.0252 483 LEU A O 2569 C CB . LEU A 344 ? 0.2701 0.3095 0.3513 0.0132 0.0508 -0.0315 483 LEU A CB 2570 C CG . LEU A 344 ? 0.3698 0.4096 0.4615 0.0113 0.0586 -0.0326 483 LEU A CG 2571 C CD1 . LEU A 344 ? 0.2476 0.2823 0.3337 0.0120 0.0643 -0.0291 483 LEU A CD1 2572 C CD2 . LEU A 344 ? 0.2616 0.3022 0.3652 0.0154 0.0587 -0.0320 483 LEU A CD2 2573 N N . TYR A 345 ? 0.3077 0.3596 0.3898 0.0042 0.0180 -0.0327 484 TYR A N 2574 C CA . TYR A 345 ? 0.2884 0.3340 0.3547 0.0052 0.0017 -0.0325 484 TYR A CA 2575 C C . TYR A 345 ? 0.3007 0.3642 0.3832 0.0113 -0.0047 -0.0251 484 TYR A C 2576 O O . TYR A 345 ? 0.4213 0.4760 0.4836 0.0168 -0.0152 -0.0225 484 TYR A O 2577 C CB . TYR A 345 ? 0.2911 0.3315 0.3567 -0.0083 -0.0156 -0.0364 484 TYR A CB 2578 C CG . TYR A 345 ? 0.3638 0.4360 0.4698 -0.0205 -0.0193 -0.0295 484 TYR A CG 2579 C CD1 . TYR A 345 ? 0.3209 0.4036 0.4441 -0.0283 -0.0075 -0.0272 484 TYR A CD1 2580 C CD2 . TYR A 345 ? 0.3364 0.4330 0.4641 -0.0236 -0.0343 -0.0234 484 TYR A CD2 2581 C CE1 . TYR A 345 ? 0.2550 0.3741 0.4141 -0.0386 -0.0069 -0.0183 484 TYR A CE1 2582 C CE2 . TYR A 345 ? 0.3262 0.4626 0.4966 -0.0335 -0.0348 -0.0146 484 TYR A CE2 2583 C CZ . TYR A 345 ? 0.3167 0.4655 0.5019 -0.0409 -0.0193 -0.0117 484 TYR A CZ 2584 O OH . TYR A 345 ? 0.3485 0.5438 0.5752 -0.0500 -0.0161 -0.0005 484 TYR A OH 2585 N N . LYS A 346 ? 0.3696 0.4576 0.4857 0.0128 0.0014 -0.0220 485 LYS A N 2586 C CA . LYS A 346 ? 0.3376 0.4452 0.4745 0.0222 -0.0061 -0.0158 485 LYS A CA 2587 C C . LYS A 346 ? 0.2788 0.3731 0.4112 0.0369 0.0019 -0.0125 485 LYS A C 2588 O O . LYS A 346 ? 0.4127 0.5173 0.5614 0.0486 -0.0043 -0.0076 485 LYS A O 2589 C CB . LYS A 346 ? 0.3752 0.5219 0.5530 0.0201 -0.0039 -0.0140 485 LYS A CB 2590 C CG . LYS A 346 ? 0.4512 0.6037 0.6380 0.0239 0.0165 -0.0185 485 LYS A CG 2591 C CD . LYS A 346 ? 0.4376 0.6357 0.6624 0.0274 0.0223 -0.0153 485 LYS A CD 2592 C CE . LYS A 346 ? 0.5185 0.7440 0.7629 0.0070 0.0130 -0.0077 485 LYS A CE 2593 N NZ . LYS A 346 ? 0.6012 0.8830 0.8883 0.0096 0.0218 -0.0003 485 LYS A NZ 2594 N N . TYR A 347 ? 0.2337 0.3050 0.3465 0.0359 0.0137 -0.0139 486 TYR A N 2595 C CA . TYR A 347 ? 0.3778 0.4322 0.4885 0.0445 0.0189 -0.0088 486 TYR A CA 2596 C C . TYR A 347 ? 0.4157 0.4500 0.4979 0.0434 0.0181 0.0012 486 TYR A C 2597 O O . TYR A 347 ? 0.4191 0.4507 0.4797 0.0378 0.0213 -0.0002 486 TYR A O 2598 C CB . TYR A 347 ? 0.2692 0.3172 0.3863 0.0422 0.0319 -0.0155 486 TYR A CB 2599 C CG . TYR A 347 ? 0.3496 0.4185 0.4876 0.0447 0.0368 -0.0245 486 TYR A CG 2600 C CD1 . TYR A 347 ? 0.2884 0.3655 0.4437 0.0596 0.0363 -0.0273 486 TYR A CD1 2601 C CD2 . TYR A 347 ? 0.3699 0.4502 0.5083 0.0339 0.0427 -0.0292 486 TYR A CD2 2602 C CE1 . TYR A 347 ? 0.2037 0.3064 0.3756 0.0645 0.0448 -0.0347 486 TYR A CE1 2603 C CE2 . TYR A 347 ? 0.2763 0.3794 0.4309 0.0350 0.0495 -0.0337 486 TYR A CE2 2604 C CZ . TYR A 347 ? 0.2842 0.4017 0.4552 0.0506 0.0521 -0.0365 486 TYR A CZ 2605 O OH . TYR A 347 ? 0.2748 0.4213 0.4594 0.0542 0.0626 -0.0402 486 TYR A OH 2606 N N . LYS A 348 ? 0.3834 0.4031 0.4643 0.0500 0.0143 0.0121 487 LYS A N 2607 C CA . LYS A 348 ? 0.4586 0.4619 0.5154 0.0467 0.0174 0.0269 487 LYS A CA 2608 C C . LYS A 348 ? 0.5084 0.4892 0.5743 0.0491 0.0146 0.0380 487 LYS A C 2609 O O . LYS A 348 ? 0.5370 0.5116 0.6200 0.0597 0.0054 0.0344 487 LYS A O 2610 C CB . LYS A 348 ? 0.4668 0.4714 0.4959 0.0503 0.0074 0.0350 487 LYS A CB 2611 C CG . LYS A 348 ? 0.5797 0.5794 0.6139 0.0602 -0.0100 0.0443 487 LYS A CG 2612 C CD . LYS A 348 ? 0.6752 0.6720 0.6730 0.0626 -0.0209 0.0550 487 LYS A CD 2613 C CE . LYS A 348 ? 0.8226 0.8124 0.8248 0.0733 -0.0403 0.0680 487 LYS A CE 2614 N NZ . LYS A 348 ? 0.8350 0.8203 0.7954 0.0756 -0.0532 0.0795 487 LYS A NZ 2615 N N . VAL A 349 ? 0.4623 0.4312 0.5184 0.0396 0.0219 0.0521 488 VAL A N 2616 C CA . VAL A 349 ? 0.4931 0.4336 0.5574 0.0367 0.0160 0.0650 488 VAL A CA 2617 C C . VAL A 349 ? 0.5842 0.5097 0.6301 0.0387 0.0067 0.0886 488 VAL A C 2618 O O . VAL A 349 ? 0.5583 0.4965 0.5795 0.0348 0.0131 0.1017 488 VAL A O 2619 C CB . VAL A 349 ? 0.4321 0.3701 0.5036 0.0203 0.0264 0.0716 488 VAL A CB 2620 C CG1 . VAL A 349 ? 0.4182 0.3212 0.4967 0.0122 0.0158 0.0887 488 VAL A CG1 2621 C CG2 . VAL A 349 ? 0.3790 0.3267 0.4664 0.0191 0.0319 0.0495 488 VAL A CG2 2622 N N . VAL A 350 ? 0.5325 0.4291 0.5867 0.0473 -0.0089 0.0936 489 VAL A N 2623 C CA . VAL A 350 ? 0.5256 0.3997 0.5625 0.0481 -0.0206 0.1200 489 VAL A CA 2624 C C . VAL A 350 ? 0.6544 0.4847 0.7010 0.0402 -0.0301 0.1341 489 VAL A C 2625 O O . VAL A 350 ? 0.6525 0.4636 0.7184 0.0433 -0.0343 0.1170 489 VAL A O 2626 C CB . VAL A 350 ? 0.5717 0.4463 0.6064 0.0684 -0.0379 0.1176 489 VAL A CB 2627 C CG1 . VAL A 350 ? 0.5053 0.4176 0.5268 0.0712 -0.0344 0.1080 489 VAL A CG1 2628 C CG2 . VAL A 350 ? 0.6903 0.5548 0.7545 0.0860 -0.0470 0.0978 489 VAL A CG2 2629 N N . GLN A 351 ? 0.6923 0.5043 0.7221 0.0293 -0.0345 0.1660 490 GLN A N 2630 C CA . GLN A 351 ? 0.6963 0.4602 0.7342 0.0174 -0.0478 0.1848 490 GLN A CA 2631 C C . GLN A 351 ? 0.7570 0.4774 0.7907 0.0364 -0.0728 0.1907 490 GLN A C 2632 O O . GLN A 351 ? 0.7815 0.5051 0.7948 0.0440 -0.0795 0.2087 490 GLN A O 2633 C CB . GLN A 351 ? 0.6060 0.3760 0.6320 -0.0087 -0.0383 0.2220 490 GLN A CB 2634 C CG . GLN A 351 ? 0.6600 0.3782 0.6963 -0.0274 -0.0551 0.2475 490 GLN A CG 2635 C CD . GLN A 351 ? 0.7018 0.4377 0.7330 -0.0568 -0.0425 0.2887 490 GLN A CD 2636 O OE1 . GLN A 351 ? 0.6645 0.4537 0.6976 -0.0659 -0.0175 0.2898 490 GLN A OE1 2637 N NE2 . GLN A 351 ? 0.7860 0.4830 0.8095 -0.0692 -0.0577 0.3183 490 GLN A NE2 2638 N N . ILE A 352 ? 0.7733 0.4517 0.8239 0.0465 -0.0879 0.1745 491 ILE A N 2639 C CA . ILE A 352 ? 0.8875 0.5204 0.9368 0.0701 -0.1127 0.1768 491 ILE A CA 2640 C C . ILE A 352 ? 1.1165 0.6959 1.1521 0.0537 -0.1305 0.2154 491 ILE A C 2641 O O . ILE A 352 ? 1.2031 0.7575 1.2419 0.0294 -0.1307 0.2224 491 ILE A O 2642 C CB . ILE A 352 ? 0.9841 0.5871 1.0508 0.0917 -0.1220 0.1432 491 ILE A CB 2643 C CG1 . ILE A 352 ? 0.9653 0.6253 1.0458 0.1095 -0.1046 0.1101 491 ILE A CG1 2644 C CG2 . ILE A 352 ? 1.1127 0.6691 1.1758 0.1176 -0.1451 0.1444 491 ILE A CG2 2645 C CD1 . ILE A 352 ? 0.9822 0.6839 1.0641 0.1283 -0.1049 0.1122 491 ILE A CD1 2646 N N . GLU A 353 ? 1.2521 0.8257 1.2700 0.0653 -0.1419 0.2359 492 GLU A N 2647 C CA . GLU A 353 ? 1.4521 0.9940 1.4494 0.0492 -0.1498 0.2674 492 GLU A CA 2648 C C . GLU A 353 ? 1.4152 0.9173 1.4091 0.0759 -0.1717 0.2627 492 GLU A C 2649 O O . GLU A 353 ? 1.3906 0.8504 1.3944 0.0817 -0.1823 0.2469 492 GLU A O 2650 C CB . GLU A 353 ? 1.6293 1.2062 1.5991 0.0350 -0.1387 0.3016 492 GLU A CB 2651 C CG . GLU A 353 ? 1.7104 1.3343 1.6824 0.0113 -0.1129 0.3083 492 GLU A CG 2652 C CD . GLU A 353 ? 1.8043 1.4745 1.7420 0.0095 -0.0980 0.3279 492 GLU A CD 2653 O OE1 . GLU A 353 ? 1.7813 1.4693 1.7051 0.0332 -0.1045 0.3137 492 GLU A OE1 2654 O OE2 . GLU A 353 ? 1.8942 1.5866 1.8180 -0.0145 -0.0793 0.3546 492 GLU A OE2 2655 N N . VAL B 1 ? 1.1693 1.4432 1.7902 0.4810 0.1226 0.2441 44 VAL B N 2656 C CA . VAL B 1 ? 1.1180 1.4710 1.7308 0.4608 0.0883 0.2701 44 VAL B CA 2657 C C . VAL B 1 ? 1.0383 1.3572 1.5923 0.4339 0.0631 0.2803 44 VAL B C 2658 O O . VAL B 1 ? 1.1377 1.3798 1.6664 0.4357 0.0684 0.2814 44 VAL B O 2659 C CB . VAL B 1 ? 0.9545 1.3718 1.6084 0.4788 0.0687 0.3058 44 VAL B CB 2660 C CG1 . VAL B 1 ? 0.9592 1.3345 1.5922 0.4879 0.0532 0.3371 44 VAL B CG1 2661 C CG2 . VAL B 1 ? 0.9184 1.4336 1.5808 0.4560 0.0384 0.3167 44 VAL B CG2 2662 N N . TRP B 2 ? 0.8679 1.2440 1.4031 0.4067 0.0371 0.2856 45 TRP B N 2663 C CA . TRP B 2 ? 0.8323 1.1825 1.3102 0.3800 0.0118 0.2926 45 TRP B CA 2664 C C . TRP B 2 ? 0.8103 1.2407 1.2827 0.3576 -0.0272 0.3088 45 TRP B C 2665 O O . TRP B 2 ? 0.8452 1.3542 1.3618 0.3562 -0.0332 0.3099 45 TRP B O 2666 C CB . TRP B 2 ? 0.7712 1.0764 1.2112 0.3585 0.0257 0.2617 45 TRP B CB 2667 C CG . TRP B 2 ? 0.8150 1.1690 1.2577 0.3342 0.0321 0.2368 45 TRP B CG 2668 C CD1 . TRP B 2 ? 0.8143 1.2207 1.2437 0.2985 0.0086 0.2373 45 TRP B CD1 2669 C CD2 . TRP B 2 ? 0.8876 1.2419 1.3485 0.3442 0.0673 0.2087 45 TRP B CD2 2670 N NE1 . TRP B 2 ? 0.8356 1.2729 1.2777 0.2855 0.0289 0.2174 45 TRP B NE1 2671 C CE2 . TRP B 2 ? 0.8455 1.2555 1.3024 0.3143 0.0647 0.2002 45 TRP B CE2 2672 C CE3 . TRP B 2 ? 0.9851 1.2979 1.4661 0.3757 0.1025 0.1879 45 TRP B CE3 2673 C CZ2 . TRP B 2 ? 0.8400 1.2703 1.3067 0.3171 0.0971 0.1778 45 TRP B CZ2 2674 C CZ3 . TRP B 2 ? 1.0145 1.3490 1.5018 0.3783 0.1323 0.1583 45 TRP B CZ3 2675 C CH2 . TRP B 2 ? 0.9427 1.3378 1.4201 0.3501 0.1299 0.1563 45 TRP B CH2 2676 N N . LYS B 3 ? 0.7300 1.1402 1.1492 0.3378 -0.0523 0.3170 46 LYS B N 2677 C CA . LYS B 3 ? 0.6687 1.1466 1.0739 0.3125 -0.0904 0.3220 46 LYS B CA 2678 C C . LYS B 3 ? 0.7082 1.1522 1.0516 0.2799 -0.1049 0.3099 46 LYS B C 2679 O O . LYS B 3 ? 0.6865 1.0523 0.9909 0.2817 -0.0908 0.3078 46 LYS B O 2680 C CB . LYS B 3 ? 0.6790 1.1818 1.0814 0.3288 -0.1106 0.3470 46 LYS B CB 2681 C CG . LYS B 3 ? 0.7570 1.1880 1.1075 0.3360 -0.1072 0.3617 46 LYS B CG 2682 C CD . LYS B 3 ? 0.8489 1.3183 1.1922 0.3511 -0.1285 0.3891 46 LYS B CD 2683 C CE . LYS B 3 ? 0.8327 1.2373 1.1244 0.3552 -0.1222 0.4058 46 LYS B CE 2684 N NZ . LYS B 3 ? 0.8470 1.2945 1.1277 0.3725 -0.1412 0.4359 46 LYS B NZ 2685 N N . ASP B 4 ? 0.6757 1.1774 1.0143 0.2482 -0.1322 0.2993 47 ASP B N 2686 C CA . ASP B 4 ? 0.6958 1.1629 0.9733 0.2130 -0.1462 0.2820 47 ASP B CA 2687 C C . ASP B 4 ? 0.7643 1.1994 0.9881 0.2197 -0.1600 0.2950 47 ASP B C 2688 O O . ASP B 4 ? 0.7757 1.2535 1.0018 0.2286 -0.1790 0.3059 47 ASP B O 2689 C CB . ASP B 4 ? 0.7401 1.2681 1.0293 0.1731 -0.1694 0.2602 47 ASP B CB 2690 C CG . ASP B 4 ? 0.7656 1.3165 1.1045 0.1595 -0.1477 0.2447 47 ASP B CG 2691 O OD1 . ASP B 4 ? 0.7573 1.2608 1.0972 0.1734 -0.1139 0.2409 47 ASP B OD1 2692 O OD2 . ASP B 4 ? 0.7817 1.4003 1.1596 0.1344 -0.1635 0.2352 47 ASP B OD2 2693 N N . ALA B 5 ? 0.7673 1.1260 0.9419 0.2140 -0.1477 0.2912 48 ALA B N 2694 C CA . ALA B 5 ? 0.7318 1.0517 0.8568 0.2185 -0.1512 0.3018 48 ALA B CA 2695 C C . ALA B 5 ? 0.7277 0.9944 0.7946 0.1928 -0.1508 0.2855 48 ALA B C 2696 O O . ALA B 5 ? 0.6765 0.9156 0.7403 0.1761 -0.1414 0.2686 48 ALA B O 2697 C CB . ALA B 5 ? 0.6287 0.8997 0.7714 0.2509 -0.1244 0.3238 48 ALA B CB 2698 N N . ASP B 6 ? 0.8079 1.0617 0.8287 0.1904 -0.1592 0.2904 49 ASP B N 2699 C CA . ASP B 6 ? 0.7547 0.9565 0.7220 0.1701 -0.1549 0.2766 49 ASP B CA 2700 C C . ASP B 6 ? 0.6389 0.7798 0.5926 0.1860 -0.1312 0.2953 49 ASP B C 2701 O O . ASP B 6 ? 0.7001 0.8545 0.6571 0.2063 -0.1307 0.3195 49 ASP B O 2702 C CB . ASP B 6 ? 0.7458 0.9857 0.6713 0.1507 -0.1820 0.2612 49 ASP B CB 2703 C CG . ASP B 6 ? 0.7054 0.9998 0.6494 0.1256 -0.2044 0.2361 49 ASP B CG 2704 O OD1 . ASP B 6 ? 0.6339 0.9200 0.6061 0.1151 -0.1956 0.2296 49 ASP B OD1 2705 O OD2 . ASP B 6 ? 0.7714 1.1184 0.7047 0.1147 -0.2305 0.2222 49 ASP B OD2 2706 N N . THR B 7 ? 0.7538 0.8309 0.6965 0.1758 -0.1113 0.2850 50 THR B N 2707 C CA . THR B 7 ? 0.8122 0.8324 0.7519 0.1847 -0.0875 0.2987 50 THR B CA 2708 C C . THR B 7 ? 0.7757 0.7483 0.6812 0.1620 -0.0789 0.2811 50 THR B C 2709 O O . THR B 7 ? 0.7574 0.7364 0.6405 0.1417 -0.0900 0.2592 50 THR B O 2710 C CB . THR B 7 ? 0.8599 0.8455 0.8522 0.2039 -0.0630 0.3054 50 THR B CB 2711 O OG1 . THR B 7 ? 0.9843 0.9208 0.9815 0.2103 -0.0408 0.3194 50 THR B OG1 2712 C CG2 . THR B 7 ? 0.7630 0.7203 0.7681 0.1929 -0.0539 0.2795 50 THR B CG2 2713 N N . THR B 8 ? 0.8232 0.7510 0.7299 0.1652 -0.0580 0.2917 51 THR B N 2714 C CA . THR B 8 ? 0.8129 0.6995 0.6966 0.1451 -0.0476 0.2769 51 THR B CA 2715 C C . THR B 8 ? 0.7357 0.5824 0.6451 0.1367 -0.0349 0.2550 51 THR B C 2716 O O . THR B 8 ? 0.8582 0.6719 0.8079 0.1466 -0.0158 0.2562 51 THR B O 2717 C CB . THR B 8 ? 0.9045 0.7647 0.7890 0.1505 -0.0282 0.2973 51 THR B CB 2718 O OG1 . THR B 8 ? 0.9119 0.7447 0.8465 0.1667 -0.0081 0.3103 51 THR B OG1 2719 C CG2 . THR B 8 ? 0.9442 0.8462 0.7951 0.1604 -0.0397 0.3199 51 THR B CG2 2720 N N . LEU B 9 ? 0.6103 0.4603 0.4963 0.1190 -0.0447 0.2336 52 LEU B N 2721 C CA . LEU B 9 ? 0.7045 0.5220 0.6062 0.1102 -0.0341 0.2096 52 LEU B CA 2722 C C . LEU B 9 ? 0.7735 0.5463 0.6717 0.0985 -0.0187 0.2022 52 LEU B C 2723 O O . LEU B 9 ? 0.6498 0.4260 0.5252 0.0906 -0.0195 0.2101 52 LEU B O 2724 C CB . LEU B 9 ? 0.6697 0.5146 0.5511 0.0898 -0.0504 0.1817 52 LEU B CB 2725 C CG . LEU B 9 ? 0.7057 0.6015 0.5967 0.0937 -0.0660 0.1839 52 LEU B CG 2726 C CD1 . LEU B 9 ? 0.6746 0.5862 0.5509 0.0696 -0.0759 0.1588 52 LEU B CD1 2727 C CD2 . LEU B 9 ? 0.7241 0.6234 0.6588 0.1129 -0.0548 0.1861 52 LEU B CD2 2728 N N . PHE B 10 ? 0.6411 0.3849 0.5670 0.0913 -0.0071 0.1753 53 PHE B N 2729 C CA . PHE B 10 ? 0.5854 0.2983 0.5140 0.0754 0.0031 0.1602 53 PHE B CA 2730 C C . PHE B 10 ? 0.6337 0.3566 0.5502 0.0581 -0.0067 0.1229 53 PHE B C 2731 O O . PHE B 10 ? 0.6242 0.3703 0.5364 0.0595 -0.0155 0.1098 53 PHE B O 2732 C CB . PHE B 10 ? 0.6288 0.2992 0.6078 0.0812 0.0260 0.1616 53 PHE B CB 2733 C CG . PHE B 10 ? 0.7132 0.3741 0.7280 0.0855 0.0309 0.1314 53 PHE B CG 2734 C CD1 . PHE B 10 ? 0.7145 0.3784 0.7525 0.1081 0.0360 0.1454 53 PHE B CD1 2735 C CD2 . PHE B 10 ? 0.7938 0.4473 0.8193 0.0693 0.0307 0.0880 53 PHE B CD2 2736 C CE1 . PHE B 10 ? 0.6523 0.3074 0.7225 0.1142 0.0439 0.1138 53 PHE B CE1 2737 C CE2 . PHE B 10 ? 0.6913 0.3405 0.7434 0.0745 0.0357 0.0550 53 PHE B CE2 2738 C CZ . PHE B 10 ? 0.6459 0.2932 0.7202 0.0968 0.0441 0.0665 53 PHE B CZ 2739 N N . CYS B 11 ? 0.6125 0.3225 0.5251 0.0434 -0.0039 0.1097 54 CYS B N 2740 C CA . CYS B 11 ? 0.5402 0.2641 0.4401 0.0307 -0.0138 0.0808 54 CYS B CA 2741 C C . CYS B 11 ? 0.5522 0.2632 0.4841 0.0243 -0.0074 0.0512 54 CYS B C 2742 O O . CYS B 11 ? 0.5291 0.2134 0.4969 0.0231 0.0066 0.0517 54 CYS B O 2743 C CB . CYS B 11 ? 0.5500 0.2807 0.4188 0.0206 -0.0200 0.0859 54 CYS B CB 2744 S SG . CYS B 11 ? 0.7035 0.4116 0.5837 0.0157 -0.0046 0.0980 54 CYS B SG 2745 N N . ALA B 12 ? 0.5424 0.2754 0.4629 0.0199 -0.0174 0.0255 55 ALA B N 2746 C CA . ALA B 12 ? 0.5770 0.3119 0.5206 0.0129 -0.0175 -0.0090 55 ALA B CA 2747 C C . ALA B 12 ? 0.5563 0.3208 0.4737 0.0065 -0.0314 -0.0192 55 ALA B C 2748 O O . ALA B 12 ? 0.5606 0.3431 0.4445 0.0102 -0.0387 -0.0061 55 ALA B O 2749 C CB . ALA B 12 ? 0.5862 0.3247 0.5445 0.0215 -0.0141 -0.0345 55 ALA B CB 2750 N N . SER B 13 ? 0.5728 0.3440 0.5115 -0.0028 -0.0345 -0.0410 56 SER B N 2751 C CA . SER B 13 ? 0.6534 0.4572 0.5726 -0.0049 -0.0482 -0.0466 56 SER B CA 2752 C C . SER B 13 ? 0.6564 0.4822 0.6060 -0.0129 -0.0559 -0.0825 56 SER B C 2753 O O . SER B 13 ? 0.6761 0.4847 0.6677 -0.0211 -0.0484 -0.1050 56 SER B O 2754 C CB . SER B 13 ? 0.6087 0.4037 0.5178 -0.0076 -0.0459 -0.0192 56 SER B CB 2755 O OG . SER B 13 ? 0.5768 0.3614 0.5230 -0.0171 -0.0383 -0.0232 56 SER B OG 2756 N N . ASP B 14 ? 0.5897 0.4553 0.5222 -0.0104 -0.0709 -0.0875 57 ASP B N 2757 C CA . ASP B 14 ? 0.5456 0.4473 0.5062 -0.0175 -0.0839 -0.1217 57 ASP B CA 2758 C C . ASP B 14 ? 0.6047 0.5153 0.5882 -0.0232 -0.0856 -0.1079 57 ASP B C 2759 O O . ASP B 14 ? 0.6768 0.6345 0.6651 -0.0209 -0.1021 -0.1194 57 ASP B O 2760 C CB . ASP B 14 ? 0.6824 0.6373 0.6063 -0.0055 -0.1019 -0.1379 57 ASP B CB 2761 C CG . ASP B 14 ? 0.8271 0.7806 0.7316 0.0010 -0.0977 -0.1578 57 ASP B CG 2762 O OD1 . ASP B 14 ? 0.9040 0.8233 0.8411 -0.0066 -0.0858 -0.1777 57 ASP B OD1 2763 O OD2 . ASP B 14 ? 0.8634 0.8496 0.7228 0.0154 -0.1033 -0.1513 57 ASP B OD2 2764 N N . ALA B 15 ? 0.5873 0.4576 0.5842 -0.0282 -0.0679 -0.0822 58 ALA B N 2765 C CA . ALA B 15 ? 0.6338 0.5099 0.6525 -0.0318 -0.0634 -0.0674 58 ALA B CA 2766 C C . ALA B 15 ? 0.6455 0.5437 0.7277 -0.0475 -0.0653 -0.0958 58 ALA B C 2767 O O . ALA B 15 ? 0.6198 0.5088 0.7360 -0.0595 -0.0631 -0.1242 58 ALA B O 2768 C CB . ALA B 15 ? 0.6174 0.4493 0.6275 -0.0317 -0.0420 -0.0351 58 ALA B CB 2769 N N . LYS B 16 ? 0.6193 0.5468 0.7240 -0.0476 -0.0682 -0.0895 59 LYS B N 2770 C CA . LYS B 16 ? 0.6452 0.6027 0.8201 -0.0644 -0.0703 -0.1151 59 LYS B CA 2771 C C . LYS B 16 ? 0.6970 0.6256 0.9110 -0.0738 -0.0420 -0.0917 59 LYS B C 2772 O O . LYS B 16 ? 0.6397 0.5542 0.8247 -0.0620 -0.0296 -0.0587 59 LYS B O 2773 C CB . LYS B 16 ? 0.6735 0.7006 0.8555 -0.0562 -0.0955 -0.1262 59 LYS B CB 2774 C CG . LYS B 16 ? 0.7764 0.8432 0.9177 -0.0449 -0.1228 -0.1476 59 LYS B CG 2775 C CD . LYS B 16 ? 0.9578 1.1016 1.1077 -0.0333 -0.1488 -0.1531 59 LYS B CD 2776 C CE . LYS B 16 ? 1.0668 1.2588 1.1720 -0.0206 -0.1753 -0.1738 59 LYS B CE 2777 N NZ . LYS B 16 ? 1.0293 1.3063 1.1419 -0.0058 -0.2033 -0.1762 59 LYS B NZ 2778 N N . ALA B 17 ? 0.7097 0.6300 0.9912 -0.0952 -0.0298 -0.1100 60 ALA B N 2779 C CA . ALA B 17 ? 0.6449 0.5360 0.9661 -0.1046 0.0029 -0.0834 60 ALA B CA 2780 C C . ALA B 17 ? 0.7119 0.6478 1.0785 -0.1079 0.0066 -0.0790 60 ALA B C 2781 O O . ALA B 17 ? 0.8173 0.7381 1.2191 -0.1148 0.0364 -0.0558 60 ALA B O 2782 C CB . ALA B 17 ? 0.6196 0.4770 1.0030 -0.1261 0.0205 -0.0987 60 ALA B CB 2783 N N . HIS B 18 ? 0.6769 0.6718 1.0435 -0.1007 -0.0223 -0.0981 61 HIS B N 2784 C CA . HIS B 18 ? 0.7802 0.8268 1.1952 -0.1000 -0.0216 -0.0942 61 HIS B CA 2785 C C . HIS B 18 ? 0.6330 0.6880 0.9923 -0.0713 -0.0240 -0.0647 61 HIS B C 2786 O O . HIS B 18 ? 0.6146 0.7019 1.0067 -0.0644 -0.0159 -0.0529 61 HIS B O 2787 C CB . HIS B 18 ? 1.0401 1.1593 1.5130 -0.1121 -0.0531 -0.1378 61 HIS B CB 2788 C CG . HIS B 18 ? 1.1779 1.3301 1.5946 -0.0958 -0.0899 -0.1561 61 HIS B CG 2789 N ND1 . HIS B 18 ? 1.2254 1.3802 1.6356 -0.1067 -0.1084 -0.1956 61 HIS B ND1 2790 C CD2 . HIS B 18 ? 1.2033 1.3871 1.5683 -0.0680 -0.1084 -0.1381 61 HIS B CD2 2791 C CE1 . HIS B 18 ? 1.2506 1.4425 1.6024 -0.0858 -0.1368 -0.1999 61 HIS B CE1 2792 N NE2 . HIS B 18 ? 1.2264 1.4349 1.5516 -0.0623 -0.1370 -0.1625 61 HIS B NE2 2793 N N . GLU B 19 ? 0.6025 0.6276 0.8840 -0.0550 -0.0329 -0.0537 62 GLU B N 2794 C CA . GLU B 19 ? 0.5672 0.5916 0.7986 -0.0295 -0.0348 -0.0286 62 GLU B CA 2795 C C . GLU B 19 ? 0.5475 0.5341 0.7658 -0.0233 -0.0023 -0.0005 62 GLU B C 2796 O O . GLU B 19 ? 0.6777 0.6212 0.8843 -0.0328 0.0193 0.0089 62 GLU B O 2797 C CB . GLU B 19 ? 0.4703 0.4702 0.6304 -0.0184 -0.0494 -0.0249 62 GLU B CB 2798 C CG . GLU B 19 ? 0.7538 0.8050 0.9049 -0.0093 -0.0817 -0.0409 62 GLU B CG 2799 C CD . GLU B 19 ? 0.8713 0.9516 1.0084 0.0163 -0.0898 -0.0186 62 GLU B CD 2800 O OE1 . GLU B 19 ? 0.9839 1.1005 1.0967 0.0301 -0.1130 -0.0192 62 GLU B OE1 2801 O OE2 . GLU B 19 ? 0.7574 0.8244 0.9077 0.0245 -0.0709 0.0011 62 GLU B OE2 2802 N N . THR B 20 ? 0.4595 0.4649 0.6786 -0.0046 0.0017 0.0130 63 THR B N 2803 C CA . THR B 20 ? 0.4350 0.4059 0.6299 0.0056 0.0315 0.0340 63 THR B CA 2804 C C . THR B 20 ? 0.6042 0.5324 0.7254 0.0194 0.0278 0.0440 63 THR B C 2805 O O . THR B 20 ? 0.5199 0.4135 0.6078 0.0257 0.0490 0.0545 63 THR B O 2806 C CB . THR B 20 ? 0.5939 0.6026 0.8335 0.0202 0.0431 0.0407 63 THR B CB 2807 O OG1 . THR B 20 ? 0.6443 0.6903 0.8893 0.0383 0.0170 0.0397 63 THR B OG1 2808 C CG2 . THR B 20 ? 0.5437 0.5933 0.8637 0.0031 0.0544 0.0330 63 THR B CG2 2809 N N . GLU B 21 ? 0.4567 0.3913 0.5544 0.0232 0.0016 0.0390 64 GLU B N 2810 C CA . GLU B 21 ? 0.5764 0.4731 0.6144 0.0323 -0.0019 0.0484 64 GLU B CA 2811 C C . GLU B 21 ? 0.5502 0.4026 0.5509 0.0198 0.0095 0.0492 64 GLU B C 2812 O O . GLU B 21 ? 0.4995 0.3510 0.5093 0.0057 0.0065 0.0420 64 GLU B O 2813 C CB . GLU B 21 ? 0.4293 0.3481 0.4530 0.0376 -0.0289 0.0459 64 GLU B CB 2814 C CG . GLU B 21 ? 0.5076 0.3964 0.4859 0.0498 -0.0300 0.0612 64 GLU B CG 2815 C CD . GLU B 21 ? 0.6278 0.4731 0.5646 0.0375 -0.0250 0.0596 64 GLU B CD 2816 O OE1 . GLU B 21 ? 0.5439 0.3931 0.4781 0.0251 -0.0323 0.0489 64 GLU B OE1 2817 O OE2 . GLU B 21 ? 0.6151 0.4243 0.5260 0.0406 -0.0138 0.0671 64 GLU B OE2 2818 N N . VAL B 22 ? 0.5446 0.3623 0.5060 0.0260 0.0221 0.0569 65 VAL B N 2819 C CA . VAL B 22 ? 0.5070 0.2937 0.4340 0.0178 0.0344 0.0597 65 VAL B CA 2820 C C . VAL B 22 ? 0.4706 0.2452 0.3740 0.0086 0.0200 0.0587 65 VAL B C 2821 O O . VAL B 22 ? 0.5262 0.2903 0.4245 0.0013 0.0277 0.0634 65 VAL B O 2822 C CB . VAL B 22 ? 0.5644 0.3241 0.4534 0.0261 0.0478 0.0602 65 VAL B CB 2823 C CG1 . VAL B 22 ? 0.5536 0.3234 0.4661 0.0364 0.0701 0.0604 65 VAL B CG1 2824 C CG2 . VAL B 22 ? 0.5750 0.3201 0.4459 0.0319 0.0345 0.0579 65 VAL B CG2 2825 N N . HIS B 23 ? 0.5436 0.3214 0.4348 0.0111 0.0017 0.0558 66 HIS B N 2826 C CA . HIS B 23 ? 0.5862 0.3579 0.4595 0.0045 -0.0100 0.0540 66 HIS B CA 2827 C C . HIS B 23 ? 0.5768 0.3636 0.4822 -0.0034 -0.0136 0.0448 66 HIS B C 2828 O O . HIS B 23 ? 0.5332 0.3057 0.4342 -0.0090 -0.0110 0.0459 66 HIS B O 2829 C CB . HIS B 23 ? 0.5750 0.3523 0.4322 0.0098 -0.0245 0.0553 66 HIS B CB 2830 C CG . HIS B 23 ? 0.5922 0.3457 0.4250 0.0134 -0.0194 0.0621 66 HIS B CG 2831 N ND1 . HIS B 23 ? 0.6578 0.4063 0.4994 0.0232 -0.0120 0.0659 66 HIS B ND1 2832 C CD2 . HIS B 23 ? 0.5993 0.3332 0.4059 0.0075 -0.0202 0.0630 66 HIS B CD2 2833 C CE1 . HIS B 23 ? 0.6159 0.3363 0.4381 0.0219 -0.0070 0.0664 66 HIS B CE1 2834 N NE2 . HIS B 23 ? 0.6002 0.3143 0.4013 0.0109 -0.0132 0.0635 66 HIS B NE2 2835 N N . ASN B 24 ? 0.4562 0.2735 0.3984 -0.0034 -0.0197 0.0345 67 ASN B N 2836 C CA . ASN B 24 ? 0.5449 0.3780 0.5284 -0.0146 -0.0227 0.0176 67 ASN B CA 2837 C C . ASN B 24 ? 0.4874 0.2985 0.4957 -0.0243 -0.0004 0.0252 67 ASN B C 2838 O O . ASN B 24 ? 0.5653 0.3616 0.5904 -0.0329 0.0035 0.0201 67 ASN B O 2839 C CB . ASN B 24 ? 0.5096 0.3894 0.5324 -0.0137 -0.0353 0.0028 67 ASN B CB 2840 C CG . ASN B 24 ? 0.4981 0.4086 0.5001 -0.0044 -0.0591 -0.0062 67 ASN B CG 2841 O OD1 . ASN B 24 ? 0.5511 0.4819 0.5627 -0.0105 -0.0723 -0.0294 67 ASN B OD1 2842 N ND2 . ASN B 24 ? 0.5206 0.4343 0.4944 0.0114 -0.0624 0.0123 67 ASN B ND2 2843 N N . VAL B 25 ? 0.5736 0.3822 0.5852 -0.0209 0.0170 0.0393 68 VAL B N 2844 C CA . VAL B 25 ? 0.5809 0.3732 0.6115 -0.0271 0.0431 0.0540 68 VAL B CA 2845 C C . VAL B 25 ? 0.6349 0.3940 0.6269 -0.0251 0.0498 0.0703 68 VAL B C 2846 O O . VAL B 25 ? 0.6545 0.3984 0.6719 -0.0317 0.0626 0.0789 68 VAL B O 2847 C CB . VAL B 25 ? 0.5447 0.3431 0.5712 -0.0191 0.0627 0.0667 68 VAL B CB 2848 C CG1 . VAL B 25 ? 0.5258 0.3089 0.5585 -0.0224 0.0932 0.0883 68 VAL B CG1 2849 C CG2 . VAL B 25 ? 0.4588 0.2963 0.5364 -0.0191 0.0586 0.0546 68 VAL B CG2 2850 N N . TRP B 26 ? 0.6089 0.3585 0.5451 -0.0155 0.0414 0.0753 69 TRP B N 2851 C CA . TRP B 26 ? 0.6091 0.3389 0.5075 -0.0116 0.0431 0.0903 69 TRP B CA 2852 C C . TRP B 26 ? 0.6273 0.3496 0.5426 -0.0152 0.0332 0.0854 69 TRP B C 2853 O O . TRP B 26 ? 0.6693 0.3757 0.5897 -0.0135 0.0441 0.1022 69 TRP B O 2854 C CB . TRP B 26 ? 0.6440 0.3717 0.4896 -0.0047 0.0317 0.0882 69 TRP B CB 2855 C CG . TRP B 26 ? 0.6949 0.4145 0.5043 -0.0007 0.0292 0.1013 69 TRP B CG 2856 C CD1 . TRP B 26 ? 0.6989 0.4180 0.4759 0.0056 0.0413 0.1174 69 TRP B CD1 2857 C CD2 . TRP B 26 ? 0.7055 0.4248 0.5079 -0.0004 0.0132 0.1003 69 TRP B CD2 2858 N NE1 . TRP B 26 ? 0.6636 0.3852 0.4149 0.0100 0.0304 0.1270 69 TRP B NE1 2859 C CE2 . TRP B 26 ? 0.7330 0.4536 0.5032 0.0062 0.0141 0.1170 69 TRP B CE2 2860 C CE3 . TRP B 26 ? 0.6873 0.4108 0.5065 -0.0033 -0.0010 0.0873 69 TRP B CE3 2861 C CZ2 . TRP B 26 ? 0.6937 0.4203 0.4561 0.0096 0.0006 0.1215 69 TRP B CZ2 2862 C CZ3 . TRP B 26 ? 0.5924 0.3182 0.4013 -0.0002 -0.0108 0.0911 69 TRP B CZ3 2863 C CH2 . TRP B 26 ? 0.6301 0.3576 0.4148 0.0060 -0.0103 0.1084 69 TRP B CH2 2864 N N . ALA B 27 ? 0.5866 0.3217 0.5101 -0.0176 0.0145 0.0639 70 ALA B N 2865 C CA . ALA B 27 ? 0.5193 0.2504 0.4559 -0.0191 0.0060 0.0528 70 ALA B CA 2866 C C . ALA B 27 ? 0.5741 0.2968 0.5676 -0.0287 0.0175 0.0434 70 ALA B C 2867 O O . ALA B 27 ? 0.6089 0.3134 0.6186 -0.0282 0.0215 0.0419 70 ALA B O 2868 C CB . ALA B 27 ? 0.5046 0.2581 0.4296 -0.0174 -0.0144 0.0327 70 ALA B CB 2869 N N . THR B 28 ? 0.5979 0.3339 0.6286 -0.0377 0.0240 0.0361 71 THR B N 2870 C CA . THR B 28 ? 0.5484 0.2769 0.6452 -0.0517 0.0374 0.0255 71 THR B CA 2871 C C . THR B 28 ? 0.7148 0.4065 0.8216 -0.0496 0.0643 0.0581 71 THR B C 2872 O O . THR B 28 ? 0.6505 0.3183 0.8042 -0.0565 0.0761 0.0542 71 THR B O 2873 C CB . THR B 28 ? 0.5591 0.3165 0.6986 -0.0620 0.0411 0.0162 71 THR B CB 2874 O OG1 . THR B 28 ? 0.6058 0.4032 0.7424 -0.0614 0.0143 -0.0123 71 THR B OG1 2875 C CG2 . THR B 28 ? 0.5253 0.2735 0.7436 -0.0807 0.0592 0.0074 71 THR B CG2 2876 N N . HIS B 29 ? 0.7334 0.4214 0.7954 -0.0383 0.0746 0.0903 72 HIS B N 2877 C CA . HIS B 29 ? 0.7845 0.4505 0.8439 -0.0313 0.0987 0.1276 72 HIS B CA 2878 C C . HIS B 29 ? 0.6661 0.3272 0.6814 -0.0159 0.0873 0.1411 72 HIS B C 2879 O O . HIS B 29 ? 0.6690 0.3268 0.6898 -0.0084 0.0972 0.1623 72 HIS B O 2880 C CB . HIS B 29 ? 0.8211 0.5005 0.8531 -0.0259 0.1153 0.1512 72 HIS B CB 2881 C CG . HIS B 29 ? 0.9205 0.6104 1.0064 -0.0394 0.1324 0.1449 72 HIS B CG 2882 N ND1 . HIS B 29 ? 0.9076 0.6225 0.9739 -0.0360 0.1344 0.1419 72 HIS B ND1 2883 C CD2 . HIS B 29 ? 0.9758 0.6674 1.1374 -0.0556 0.1440 0.1347 72 HIS B CD2 2884 C CE1 . HIS B 29 ? 0.9393 0.6701 1.0699 -0.0488 0.1488 0.1355 72 HIS B CE1 2885 N NE2 . HIS B 29 ? 0.9770 0.6919 1.1694 -0.0634 0.1556 0.1315 72 HIS B NE2 2886 N N . ALA B 30 ? 0.5785 0.2441 0.5537 -0.0108 0.0665 0.1288 73 ALA B N 2887 C CA . ALA B 30 ? 0.7242 0.3919 0.6612 0.0031 0.0559 0.1431 73 ALA B CA 2888 C C . ALA B 30 ? 0.7255 0.3859 0.6784 0.0051 0.0438 0.1247 73 ALA B C 2889 O O . ALA B 30 ? 0.6869 0.3477 0.6255 0.0178 0.0395 0.1394 73 ALA B O 2890 C CB . ALA B 30 ? 0.5844 0.2704 0.4606 0.0081 0.0424 0.1448 73 ALA B CB 2891 N N . CYS B 31 ? 0.7125 0.3769 0.6954 -0.0061 0.0366 0.0901 74 CYS B N 2892 C CA . CYS B 31 ? 0.5923 0.2595 0.5828 -0.0032 0.0248 0.0661 74 CYS B CA 2893 C C . CYS B 31 ? 0.6359 0.2858 0.6859 -0.0119 0.0336 0.0390 74 CYS B C 2894 O O . CYS B 31 ? 0.6054 0.2446 0.6975 -0.0244 0.0464 0.0352 74 CYS B O 2895 C CB . CYS B 31 ? 0.6148 0.3131 0.5720 -0.0054 0.0033 0.0444 74 CYS B CB 2896 S SG . CYS B 31 ? 0.6569 0.3702 0.5554 0.0003 -0.0066 0.0666 74 CYS B SG 2897 N N . VAL B 32 ? 0.5379 0.1867 0.5944 -0.0058 0.0281 0.0174 75 VAL B N 2898 C CA . VAL B 32 ? 0.5674 0.2013 0.6772 -0.0138 0.0343 -0.0203 75 VAL B CA 2899 C C . VAL B 32 ? 0.5868 0.2594 0.6785 -0.0188 0.0127 -0.0645 75 VAL B C 2900 O O . VAL B 32 ? 0.5245 0.2282 0.5654 -0.0129 -0.0029 -0.0571 75 VAL B O 2901 C CB . VAL B 32 ? 0.6675 0.2700 0.8009 0.0013 0.0485 -0.0140 75 VAL B CB 2902 C CG1 . VAL B 32 ? 0.6306 0.2140 0.7740 0.0091 0.0661 0.0337 75 VAL B CG1 2903 C CG2 . VAL B 32 ? 0.6585 0.2859 0.7456 0.0182 0.0353 -0.0106 75 VAL B CG2 2904 N N . PRO B 33 ? 0.6300 0.3030 0.7640 -0.0296 0.0122 -0.1108 76 PRO B N 2905 C CA . PRO B 33 ? 0.5661 0.2850 0.6740 -0.0301 -0.0093 -0.1519 76 PRO B CA 2906 C C . PRO B 33 ? 0.6965 0.4268 0.7628 -0.0114 -0.0124 -0.1531 76 PRO B C 2907 O O . PRO B 33 ? 0.7154 0.4146 0.7940 0.0000 0.0028 -0.1388 76 PRO B O 2908 C CB . PRO B 33 ? 0.6035 0.3172 0.7712 -0.0459 -0.0071 -0.2058 76 PRO B CB 2909 C CG . PRO B 33 ? 0.6854 0.3612 0.9122 -0.0606 0.0122 -0.1868 76 PRO B CG 2910 C CD . PRO B 33 ? 0.6571 0.2960 0.8653 -0.0450 0.0299 -0.1284 76 PRO B CD 2911 N N . THR B 34 ? 0.6728 0.4506 0.6936 -0.0066 -0.0302 -0.1662 77 THR B N 2912 C CA . THR B 34 ? 0.6401 0.4365 0.6237 0.0102 -0.0304 -0.1674 77 THR B CA 2913 C C . THR B 34 ? 0.6682 0.4659 0.6730 0.0138 -0.0249 -0.2187 77 THR B C 2914 O O . THR B 34 ? 0.7267 0.5212 0.7689 0.0005 -0.0272 -0.2608 77 THR B O 2915 C CB . THR B 34 ? 0.5571 0.4042 0.4858 0.0156 -0.0469 -0.1591 77 THR B CB 2916 O OG1 . THR B 34 ? 0.7198 0.6057 0.6474 0.0096 -0.0622 -0.1975 77 THR B OG1 2917 C CG2 . THR B 34 ? 0.5320 0.3738 0.4428 0.0124 -0.0506 -0.1143 77 THR B CG2 2918 N N . ASP B 35 ? 0.7462 0.5509 0.7306 0.0312 -0.0166 -0.2181 78 ASP B N 2919 C CA . ASP B 35 ? 0.7643 0.5752 0.7602 0.0390 -0.0090 -0.2696 78 ASP B CA 2920 C C . ASP B 35 ? 0.8402 0.7164 0.7813 0.0443 -0.0243 -0.2954 78 ASP B C 2921 O O . ASP B 35 ? 0.8517 0.7592 0.7459 0.0557 -0.0263 -0.2629 78 ASP B O 2922 C CB . ASP B 35 ? 0.7701 0.5590 0.7761 0.0589 0.0114 -0.2530 78 ASP B CB 2923 C CG . ASP B 35 ? 0.9011 0.6799 0.9347 0.0683 0.0263 -0.3085 78 ASP B CG 2924 O OD1 . ASP B 35 ? 0.9782 0.7918 0.9932 0.0645 0.0173 -0.3616 78 ASP B OD1 2925 O OD2 . ASP B 35 ? 0.9948 0.7329 1.0689 0.0814 0.0471 -0.2997 78 ASP B OD2 2926 N N . PRO B 36 ? 0.9791 0.8793 0.9279 0.0359 -0.0350 -0.3533 79 PRO B N 2927 C CA . PRO B 36 ? 1.0450 1.0169 0.9372 0.0438 -0.0515 -0.3795 79 PRO B CA 2928 C C . PRO B 36 ? 1.1236 1.1194 0.9785 0.0665 -0.0367 -0.3902 79 PRO B C 2929 O O . PRO B 36 ? 1.2518 1.3057 1.0473 0.0791 -0.0433 -0.3792 79 PRO B O 2930 C CB . PRO B 36 ? 1.0501 1.0361 0.9762 0.0262 -0.0618 -0.4250 79 PRO B CB 2931 C CG . PRO B 36 ? 1.0634 0.9809 1.0601 0.0153 -0.0421 -0.4375 79 PRO B CG 2932 C CD . PRO B 36 ? 1.0539 0.9190 1.0678 0.0176 -0.0315 -0.3929 79 PRO B CD 2933 N N . ASN B 37 ? 1.0555 1.0077 0.9484 0.0735 -0.0140 -0.4067 80 ASN B N 2934 C CA . ASN B 37 ? 1.0961 1.0691 0.9633 0.0968 0.0049 -0.4151 80 ASN B CA 2935 C C . ASN B 37 ? 1.0210 0.9491 0.9216 0.1083 0.0275 -0.3727 80 ASN B C 2936 O O . ASN B 37 ? 1.0923 0.9821 1.0381 0.1169 0.0471 -0.3984 80 ASN B O 2937 C CB . ASN B 37 ? 1.2450 1.2232 1.1268 0.0945 0.0115 -0.4645 80 ASN B CB 2938 C CG . ASN B 37 ? 1.3039 1.3437 1.1476 0.0856 -0.0114 -0.4871 80 ASN B CG 2939 O OD1 . ASN B 37 ? 1.2543 1.3478 1.0431 0.0923 -0.0241 -0.4607 80 ASN B OD1 2940 N ND2 . ASN B 37 ? 1.4138 1.4479 1.2904 0.0720 -0.0163 -0.5330 80 ASN B ND2 2941 N N . PRO B 38 ? 0.9098 0.8446 0.7915 0.1090 0.0243 -0.3080 81 PRO B N 2942 C CA . PRO B 38 ? 0.8531 0.7583 0.7650 0.1188 0.0398 -0.2644 81 PRO B CA 2943 C C . PRO B 38 ? 0.9080 0.8402 0.8147 0.1428 0.0613 -0.2718 81 PRO B C 2944 O O . PRO B 38 ? 1.0229 1.0080 0.8833 0.1511 0.0636 -0.2878 81 PRO B O 2945 C CB . PRO B 38 ? 0.7247 0.6443 0.6098 0.1095 0.0264 -0.2061 81 PRO B CB 2946 C CG . PRO B 38 ? 0.7926 0.7630 0.6235 0.1065 0.0138 -0.2147 81 PRO B CG 2947 C CD . PRO B 38 ? 0.7794 0.7529 0.6130 0.1012 0.0057 -0.2744 81 PRO B CD 2948 N N . GLN B 39 ? 0.8881 0.7883 0.8429 0.1560 0.0784 -0.2569 82 GLN B N 2949 C CA . GLN B 39 ? 0.9617 0.8865 0.9246 0.1813 0.1018 -0.2629 82 GLN B CA 2950 C C . GLN B 39 ? 1.0096 0.9687 0.9658 0.1863 0.1029 -0.2040 82 GLN B C 2951 O O . GLN B 39 ? 1.0615 0.9996 1.0422 0.1800 0.0939 -0.1604 82 GLN B O 2952 C CB . GLN B 39 ? 0.9643 0.8372 0.9929 0.1972 0.1219 -0.2827 82 GLN B CB 2953 C CG . GLN B 39 ? 1.0754 0.9710 1.1252 0.2273 0.1484 -0.2829 82 GLN B CG 2954 C CD . GLN B 39 ? 1.2469 1.0860 1.3660 0.2464 0.1707 -0.3058 82 GLN B CD 2955 O OE1 . GLN B 39 ? 1.2797 1.1185 1.4405 0.2706 0.1873 -0.2769 82 GLN B OE1 2956 N NE2 . GLN B 39 ? 1.3134 1.1055 1.4514 0.2359 0.1719 -0.3574 82 GLN B NE2 2957 N N . GLU B 40 ? 1.0559 1.0716 0.9798 0.1970 0.1144 -0.2041 83 GLU B N 2958 C CA . GLU B 40 ? 0.9310 0.9844 0.8590 0.1998 0.1192 -0.1533 83 GLU B CA 2959 C C . GLU B 40 ? 0.9361 1.0237 0.8875 0.2268 0.1485 -0.1622 83 GLU B C 2960 O O . GLU B 40 ? 0.9269 1.0472 0.8476 0.2399 0.1656 -0.1972 83 GLU B O 2961 C CB . GLU B 40 ? 0.8211 0.9146 0.6957 0.1848 0.1096 -0.1298 83 GLU B CB 2962 C CG . GLU B 40 ? 0.7723 0.9061 0.6585 0.1840 0.1181 -0.0818 83 GLU B CG 2963 C CD . GLU B 40 ? 0.7965 0.9545 0.6410 0.1667 0.1097 -0.0520 83 GLU B CD 2964 O OE1 . GLU B 40 ? 0.8694 1.0206 0.6710 0.1602 0.0974 -0.0676 83 GLU B OE1 2965 O OE2 . GLU B 40 ? 0.7472 0.9320 0.6079 0.1598 0.1159 -0.0125 83 GLU B OE2 2966 N N . ILE B 41 ? 0.9080 0.9941 0.9131 0.2370 0.1542 -0.1304 84 ILE B N 2967 C CA . ILE B 41 ? 0.8520 0.9722 0.8927 0.2653 0.1828 -0.1345 84 ILE B CA 2968 C C . ILE B 41 ? 0.7847 0.9654 0.8371 0.2622 0.1868 -0.0871 84 ILE B C 2969 O O . ILE B 41 ? 0.7738 0.9546 0.8579 0.2517 0.1699 -0.0465 84 ILE B O 2970 C CB . ILE B 41 ? 0.8852 0.9638 0.9933 0.2860 0.1898 -0.1349 84 ILE B CB 2971 C CG1 . ILE B 41 ? 0.9668 0.9786 1.0773 0.2863 0.1901 -0.1822 84 ILE B CG1 2972 C CG2 . ILE B 41 ? 0.7672 0.8848 0.9179 0.3188 0.2209 -0.1383 84 ILE B CG2 2973 C CD1 . ILE B 41 ? 0.9672 0.9287 1.1482 0.3080 0.2012 -0.1778 84 ILE B CD1 2974 N N . HIS B 42 ? 0.7890 1.0249 0.8171 0.2709 0.2101 -0.0934 85 HIS B N 2975 C CA . HIS B 42 ? 0.7833 1.0802 0.8342 0.2677 0.2207 -0.0504 85 HIS B CA 2976 C C . HIS B 42 ? 0.6969 1.0174 0.8224 0.2925 0.2370 -0.0402 85 HIS B C 2977 O O . HIS B 42 ? 0.7407 1.0703 0.8813 0.3224 0.2649 -0.0713 85 HIS B O 2978 C CB . HIS B 42 ? 0.8743 1.2254 0.8772 0.2716 0.2459 -0.0550 85 HIS B CB 2979 C CG . HIS B 42 ? 0.9411 1.3588 0.9818 0.2736 0.2685 -0.0161 85 HIS B CG 2980 N ND1 . HIS B 42 ? 0.9207 1.3520 1.0025 0.2496 0.2528 0.0305 85 HIS B ND1 2981 C CD2 . HIS B 42 ? 0.9845 1.4622 1.0326 0.2955 0.3069 -0.0188 85 HIS B CD2 2982 C CE1 . HIS B 42 ? 0.8873 1.3840 1.0065 0.2543 0.2798 0.0553 85 HIS B CE1 2983 N NE2 . HIS B 42 ? 0.9620 1.4885 1.0610 0.2830 0.3144 0.0289 85 HIS B NE2 2984 N N . LEU B 43 ? 0.7269 1.0608 0.9001 0.2813 0.2190 0.0016 86 LEU B N 2985 C CA . LEU B 43 ? 0.7582 1.1252 1.0078 0.3053 0.2289 0.0182 86 LEU B CA 2986 C C . LEU B 43 ? 0.7561 1.2036 1.0322 0.3128 0.2589 0.0322 86 LEU B C 2987 O O . LEU B 43 ? 0.6818 1.1708 0.9644 0.2873 0.2528 0.0642 86 LEU B O 2988 C CB . LEU B 43 ? 0.7526 1.1161 1.0399 0.2907 0.1947 0.0559 86 LEU B CB 2989 C CG . LEU B 43 ? 0.7431 1.0321 1.0036 0.2812 0.1669 0.0508 86 LEU B CG 2990 C CD1 . LEU B 43 ? 0.7372 1.0362 1.0349 0.2747 0.1368 0.0886 86 LEU B CD1 2991 C CD2 . LEU B 43 ? 0.6481 0.8826 0.9140 0.3096 0.1831 0.0164 86 LEU B CD2 2992 N N . GLU B 44 ? 0.8996 1.3677 1.1956 0.3479 0.2939 0.0068 87 GLU B N 2993 C CA . GLU B 44 ? 0.9240 1.4701 1.2396 0.3593 0.3305 0.0154 87 GLU B CA 2994 C C . GLU B 44 ? 0.8587 1.4709 1.2604 0.3571 0.3280 0.0596 87 GLU B C 2995 O O . GLU B 44 ? 0.8952 1.5091 1.3606 0.3777 0.3190 0.0677 87 GLU B O 2996 C CB . GLU B 44 ? 1.0289 1.5787 1.3449 0.4008 0.3701 -0.0290 87 GLU B CB 2997 C CG . GLU B 44 ? 1.1794 1.7935 1.4882 0.4027 0.4048 -0.0285 87 GLU B CG 2998 C CD . GLU B 44 ? 1.2779 1.9049 1.5037 0.3793 0.4089 -0.0248 87 GLU B CD 2999 O OE1 . GLU B 44 ? 1.2705 1.9439 1.5080 0.3564 0.4109 0.0199 87 GLU B OE1 3000 O OE2 . GLU B 44 ? 1.3467 1.9362 1.4992 0.3820 0.4085 -0.0662 87 GLU B OE2 3001 N N . ASN B 45 ? 0.7628 1.4318 1.1696 0.3322 0.3363 0.0890 88 ASN B N 3002 C CA . ASN B 45 ? 0.7164 1.4588 1.2101 0.3229 0.3343 0.1276 88 ASN B CA 3003 C C . ASN B 45 ? 0.7115 1.4411 1.2488 0.3089 0.2874 0.1473 88 ASN B C 3004 O O . ASN B 45 ? 0.7548 1.5441 1.3747 0.3181 0.2821 0.1682 88 ASN B O 3005 C CB . ASN B 45 ? 0.7909 1.5810 1.3389 0.3530 0.3656 0.1202 88 ASN B CB 3006 C CG . ASN B 45 ? 0.8073 1.6275 1.3209 0.3490 0.4047 0.1137 88 ASN B CG 3007 O OD1 . ASN B 45 ? 0.8412 1.6386 1.2769 0.3376 0.4137 0.1056 88 ASN B OD1 3008 N ND2 . ASN B 45 ? 0.8882 1.7620 1.4583 0.3592 0.4273 0.1190 88 ASN B ND2 3009 N N . VAL B 46 ? 0.7410 1.3993 1.2217 0.2881 0.2536 0.1406 89 VAL B N 3010 C CA . VAL B 46 ? 0.7721 1.4175 1.2786 0.2746 0.2094 0.1582 89 VAL B CA 3011 C C . VAL B 46 ? 0.7148 1.3706 1.2124 0.2266 0.1851 0.1772 89 VAL B C 3012 O O . VAL B 46 ? 0.7729 1.3747 1.2034 0.2034 0.1771 0.1692 89 VAL B O 3013 C CB . VAL B 46 ? 0.7943 1.3532 1.2530 0.2860 0.1895 0.1396 89 VAL B CB 3014 C CG1 . VAL B 46 ? 0.7475 1.2973 1.2201 0.2706 0.1453 0.1614 89 VAL B CG1 3015 C CG2 . VAL B 46 ? 0.8201 1.3629 1.3036 0.3330 0.2135 0.1207 89 VAL B CG2 3016 N N . THR B 47 ? 0.6530 1.3804 1.2241 0.2122 0.1740 0.2002 90 THR B N 3017 C CA . THR B 47 ? 0.6170 1.3556 1.1945 0.1650 0.1505 0.2133 90 THR B CA 3018 C C . THR B 47 ? 0.6739 1.3903 1.2470 0.1550 0.1016 0.2141 90 THR B C 3019 O O . THR B 47 ? 0.7565 1.5189 1.3831 0.1727 0.0823 0.2236 90 THR B O 3020 C CB . THR B 47 ? 0.5971 1.4296 1.2635 0.1480 0.1636 0.2331 90 THR B CB 3021 O OG1 . THR B 47 ? 0.6425 1.5003 1.3104 0.1603 0.2141 0.2364 90 THR B OG1 3022 C CG2 . THR B 47 ? 0.5166 1.3511 1.1941 0.0956 0.1420 0.2408 90 THR B CG2 3023 N N . GLU B 48 ? 0.6326 1.2831 1.1408 0.1293 0.0827 0.2057 91 GLU B N 3024 C CA . GLU B 48 ? 0.6546 1.2771 1.1428 0.1222 0.0406 0.2042 91 GLU B CA 3025 C C . GLU B 48 ? 0.5798 1.2038 1.0662 0.0754 0.0164 0.2033 91 GLU B C 3026 O O . GLU B 48 ? 0.5326 1.1347 1.0005 0.0491 0.0332 0.2016 91 GLU B O 3027 C CB . GLU B 48 ? 0.6904 1.2254 1.1030 0.1391 0.0398 0.1907 91 GLU B CB 3028 C CG . GLU B 48 ? 0.7752 1.2864 1.1723 0.1462 0.0049 0.1950 91 GLU B CG 3029 C CD . GLU B 48 ? 0.7739 1.3227 1.2205 0.1861 0.0016 0.2100 91 GLU B CD 3030 O OE1 . GLU B 48 ? 0.8332 1.4111 1.3201 0.2122 0.0302 0.2107 91 GLU B OE1 3031 O OE2 . GLU B 48 ? 0.7742 1.3253 1.2189 0.1940 -0.0279 0.2230 91 GLU B OE2 3032 N N . ASN B 49 ? 0.5516 1.2023 1.0571 0.0670 -0.0224 0.2043 92 ASN B N 3033 C CA . ASN B 49 ? 0.5922 1.2464 1.1000 0.0230 -0.0480 0.1952 92 ASN B CA 3034 C C . ASN B 49 ? 0.5573 1.1300 0.9843 0.0133 -0.0651 0.1827 92 ASN B C 3035 O O . ASN B 49 ? 0.5425 1.0830 0.9285 0.0396 -0.0768 0.1843 92 ASN B O 3036 C CB . ASN B 49 ? 0.6352 1.3754 1.2074 0.0161 -0.0832 0.1967 92 ASN B CB 3037 C CG . ASN B 49 ? 0.7601 1.5907 1.4268 0.0148 -0.0673 0.2073 92 ASN B CG 3038 O OD1 . ASN B 49 ? 0.8186 1.6867 1.5175 0.0529 -0.0528 0.2218 92 ASN B OD1 3039 N ND2 . ASN B 49 ? 0.7937 1.6591 1.5116 -0.0293 -0.0675 0.2000 92 ASN B ND2 3040 N N . PHE B 50 ? 0.4834 1.0229 0.8936 -0.0236 -0.0636 0.1724 93 PHE B N 3041 C CA . PHE B 50 ? 0.4203 0.8857 0.7600 -0.0341 -0.0767 0.1597 93 PHE B CA 3042 C C . PHE B 50 ? 0.4289 0.9035 0.7830 -0.0735 -0.1025 0.1425 93 PHE B C 3043 O O . PHE B 50 ? 0.4342 0.9590 0.8535 -0.1006 -0.1028 0.1392 93 PHE B O 3044 C CB . PHE B 50 ? 0.4742 0.8746 0.7683 -0.0356 -0.0460 0.1614 93 PHE B CB 3045 C CG . PHE B 50 ? 0.5166 0.8942 0.7788 0.0013 -0.0252 0.1663 93 PHE B CG 3046 C CD1 . PHE B 50 ? 0.5572 0.9777 0.8558 0.0208 0.0005 0.1755 93 PHE B CD1 3047 C CD2 . PHE B 50 ? 0.5643 0.8787 0.7639 0.0154 -0.0297 0.1582 93 PHE B CD2 3048 C CE1 . PHE B 50 ? 0.5856 0.9833 0.8556 0.0541 0.0202 0.1718 93 PHE B CE1 3049 C CE2 . PHE B 50 ? 0.5643 0.8567 0.7411 0.0456 -0.0113 0.1556 93 PHE B CE2 3050 C CZ . PHE B 50 ? 0.5487 0.8811 0.7591 0.0651 0.0132 0.1600 93 PHE B CZ 3051 N N . ASN B 51 ? 0.4929 0.9193 0.7894 -0.0772 -0.1222 0.1290 94 ASN B N 3052 C CA . ASN B 51 ? 0.5083 0.9295 0.8070 -0.1137 -0.1433 0.1051 94 ASN B CA 3053 C C . ASN B 51 ? 0.6010 0.9419 0.8253 -0.1144 -0.1442 0.0944 94 ASN B C 3054 O O . ASN B 51 ? 0.6736 1.0023 0.8503 -0.0949 -0.1613 0.0931 94 ASN B O 3055 C CB . ASN B 51 ? 0.4635 0.9588 0.7902 -0.1173 -0.1823 0.0925 94 ASN B CB 3056 C CG . ASN B 51 ? 0.4874 0.9951 0.8385 -0.1614 -0.2024 0.0591 94 ASN B CG 3057 O OD1 . ASN B 51 ? 0.5037 0.9451 0.8279 -0.1831 -0.1918 0.0439 94 ASN B OD1 3058 N ND2 . ASN B 51 ? 0.5003 1.0950 0.9070 -0.1745 -0.2316 0.0455 94 ASN B ND2 3059 N N . MET B 52 ? 0.4900 0.7788 0.7083 -0.1354 -0.1236 0.0906 95 MET B N 3060 C CA . MET B 52 ? 0.5603 0.7745 0.7160 -0.1345 -0.1200 0.0829 95 MET B CA 3061 C C . MET B 52 ? 0.6043 0.8113 0.7408 -0.1526 -0.1468 0.0537 95 MET B C 3062 O O . MET B 52 ? 0.5312 0.6864 0.6128 -0.1462 -0.1476 0.0463 95 MET B O 3063 C CB . MET B 52 ? 0.4706 0.6380 0.6319 -0.1486 -0.0900 0.0919 95 MET B CB 3064 C CG . MET B 52 ? 0.5801 0.7596 0.8037 -0.1868 -0.0853 0.0825 95 MET B CG 3065 S SD . MET B 52 ? 0.5720 0.6874 0.7986 -0.1987 -0.0475 0.1020 95 MET B SD 3066 C CE . MET B 52 ? 0.5678 0.6088 0.7225 -0.1902 -0.0568 0.0856 95 MET B CE 3067 N N . TRP B 53 ? 0.6597 0.9235 0.8425 -0.1751 -0.1686 0.0345 96 TRP B N 3068 C CA . TRP B 53 ? 0.6411 0.9047 0.8078 -0.1959 -0.1943 -0.0018 96 TRP B CA 3069 C C . TRP B 53 ? 0.6771 0.9842 0.8021 -0.1732 -0.2258 -0.0056 96 TRP B C 3070 O O . TRP B 53 ? 0.6948 0.9950 0.7803 -0.1802 -0.2443 -0.0327 96 TRP B O 3071 C CB . TRP B 53 ? 0.6754 0.9749 0.9162 -0.2380 -0.2020 -0.0290 96 TRP B CB 3072 C CG . TRP B 53 ? 0.6544 0.9060 0.9366 -0.2588 -0.1664 -0.0178 96 TRP B CG 3073 C CD1 . TRP B 53 ? 0.6394 0.9209 0.9878 -0.2676 -0.1453 0.0050 96 TRP B CD1 3074 C CD2 . TRP B 53 ? 0.6630 0.8304 0.9228 -0.2693 -0.1446 -0.0229 96 TRP B CD2 3075 N NE1 . TRP B 53 ? 0.6091 0.8301 0.9746 -0.2832 -0.1115 0.0172 96 TRP B NE1 3076 C CE2 . TRP B 53 ? 0.6254 0.7752 0.9389 -0.2836 -0.1114 0.0009 96 TRP B CE2 3077 C CE3 . TRP B 53 ? 0.7007 0.8087 0.9026 -0.2658 -0.1480 -0.0429 96 TRP B CE3 3078 C CZ2 . TRP B 53 ? 0.6619 0.7362 0.9728 -0.2926 -0.0833 0.0087 96 TRP B CZ2 3079 C CZ3 . TRP B 53 ? 0.7010 0.7344 0.9043 -0.2752 -0.1205 -0.0392 96 TRP B CZ3 3080 C CH2 . TRP B 53 ? 0.7223 0.7390 0.9797 -0.2877 -0.0893 -0.0121 96 TRP B CH2 3081 N N . LYS B 54 ? 0.5259 0.8782 0.6596 -0.1436 -0.2295 0.0231 97 LYS B N 3082 C CA . LYS B 54 ? 0.5365 0.9203 0.6269 -0.1132 -0.2523 0.0337 97 LYS B CA 3083 C C . LYS B 54 ? 0.5126 0.8604 0.5753 -0.0746 -0.2308 0.0703 97 LYS B C 3084 O O . LYS B 54 ? 0.9472 1.3370 1.0352 -0.0487 -0.2323 0.0952 97 LYS B O 3085 C CB . LYS B 54 ? 0.5516 1.0379 0.6852 -0.1119 -0.2852 0.0311 97 LYS B CB 3086 C CG . LYS B 54 ? 1.0850 1.6234 1.2992 -0.1126 -0.2765 0.0472 97 LYS B CG 3087 C CD . LYS B 54 ? 1.0636 1.7099 1.3157 -0.1011 -0.3119 0.0510 97 LYS B CD 3088 C CE . LYS B 54 ? 0.9610 1.6678 1.3020 -0.1019 -0.3022 0.0659 97 LYS B CE 3089 N NZ . LYS B 54 ? 0.8576 1.5222 1.1975 -0.0698 -0.2650 0.1012 97 LYS B NZ 3090 N N . ASN B 55 ? 0.6022 0.8725 0.6180 -0.0714 -0.2104 0.0711 98 ASN B N 3091 C CA . ASN B 55 ? 0.6408 0.8697 0.6346 -0.0414 -0.1887 0.0972 98 ASN B CA 3092 C C . ASN B 55 ? 0.7299 0.9156 0.6616 -0.0278 -0.1893 0.1000 98 ASN B C 3093 O O . ASN B 55 ? 0.7634 0.9022 0.6643 -0.0432 -0.1828 0.0831 98 ASN B O 3094 C CB . ASN B 55 ? 0.5552 0.7377 0.5608 -0.0500 -0.1595 0.0975 98 ASN B CB 3095 C CG . ASN B 55 ? 0.6655 0.8223 0.6632 -0.0210 -0.1389 0.1171 98 ASN B CG 3096 O OD1 . ASN B 55 ? 0.7086 0.8589 0.6868 0.0034 -0.1419 0.1300 98 ASN B OD1 3097 N ND2 . ASN B 55 ? 0.6676 0.8096 0.6813 -0.0236 -0.1162 0.1189 98 ASN B ND2 3098 N N . ASN B 56 ? 0.7166 0.9184 0.6350 0.0025 -0.1941 0.1247 99 ASN B N 3099 C CA . ASN B 56 ? 0.6428 0.8109 0.5078 0.0173 -0.1918 0.1345 99 ASN B CA 3100 C C . ASN B 56 ? 0.5760 0.6687 0.4218 0.0172 -0.1647 0.1338 99 ASN B C 3101 O O . ASN B 56 ? 0.6021 0.6619 0.4075 0.0206 -0.1594 0.1351 99 ASN B O 3102 C CB . ASN B 56 ? 0.6978 0.8981 0.5627 0.0524 -0.1978 0.1698 99 ASN B CB 3103 C CG . ASN B 56 ? 0.7910 0.9594 0.6041 0.0675 -0.1913 0.1835 99 ASN B CG 3104 O OD1 . ASN B 56 ? 0.7606 0.8813 0.5740 0.0854 -0.1680 0.2030 99 ASN B OD1 3105 N ND2 . ASN B 56 ? 0.8415 1.0279 0.6156 0.0579 -0.2064 0.1651 99 ASN B ND2 3106 N N . MET B 57 ? 0.5468 0.6189 0.4219 0.0139 -0.1476 0.1313 100 MET B N 3107 C CA . MET B 57 ? 0.5987 0.6112 0.4586 0.0123 -0.1263 0.1263 100 MET B CA 3108 C C . MET B 57 ? 0.5957 0.5802 0.4289 -0.0105 -0.1270 0.1057 100 MET B C 3109 O O . MET B 57 ? 0.6092 0.5511 0.4182 -0.0091 -0.1156 0.1035 100 MET B O 3110 C CB . MET B 57 ? 0.4506 0.4597 0.3415 0.0135 -0.1106 0.1247 100 MET B CB 3111 C CG . MET B 57 ? 0.8536 0.8850 0.7754 0.0382 -0.1049 0.1404 100 MET B CG 3112 S SD . MET B 57 ? 0.6480 0.6807 0.5978 0.0408 -0.0835 0.1327 100 MET B SD 3113 C CE . MET B 57 ? 0.5706 0.5417 0.4888 0.0425 -0.0680 0.1202 100 MET B CE 3114 N N . VAL B 58 ? 0.6567 0.6662 0.5015 -0.0317 -0.1394 0.0896 101 VAL B N 3115 C CA . VAL B 58 ? 0.6248 0.6057 0.4524 -0.0530 -0.1386 0.0675 101 VAL B CA 3116 C C . VAL B 58 ? 0.5964 0.5679 0.3787 -0.0479 -0.1454 0.0608 101 VAL B C 3117 O O . VAL B 58 ? 0.6931 0.6219 0.4517 -0.0499 -0.1333 0.0536 101 VAL B O 3118 C CB . VAL B 58 ? 0.6262 0.6356 0.4865 -0.0792 -0.1496 0.0483 101 VAL B CB 3119 C CG1 . VAL B 58 ? 0.6385 0.6123 0.4843 -0.0999 -0.1474 0.0220 101 VAL B CG1 3120 C CG2 . VAL B 58 ? 0.5254 0.5424 0.4305 -0.0848 -0.1362 0.0589 101 VAL B CG2 3121 N N . GLU B 59 ? 0.5841 0.6010 0.3543 -0.0391 -0.1641 0.0653 102 GLU B N 3122 C CA . GLU B 59 ? 0.6232 0.6416 0.3439 -0.0302 -0.1692 0.0636 102 GLU B CA 3123 C C . GLU B 59 ? 0.7250 0.7006 0.4246 -0.0110 -0.1476 0.0864 102 GLU B C 3124 O O . GLU B 59 ? 0.8202 0.7695 0.4862 -0.0117 -0.1382 0.0788 102 GLU B O 3125 C CB . GLU B 59 ? 0.6036 0.6885 0.3139 -0.0173 -0.1934 0.0739 102 GLU B CB 3126 C CG . GLU B 59 ? 0.8361 0.9700 0.5491 -0.0394 -0.2198 0.0390 102 GLU B CG 3127 C CD . GLU B 59 ? 0.8884 1.0428 0.6639 -0.0602 -0.2261 0.0272 102 GLU B CD 3128 O OE1 . GLU B 59 ? 0.7981 0.9721 0.5899 -0.0880 -0.2402 -0.0088 102 GLU B OE1 3129 O OE2 . GLU B 59 ? 0.9163 1.0676 0.7273 -0.0495 -0.2148 0.0524 102 GLU B OE2 3130 N N . GLN B 60 ? 0.6401 0.6094 0.3649 0.0051 -0.1380 0.1117 103 GLN B N 3131 C CA . GLN B 60 ? 0.7464 0.6766 0.4638 0.0204 -0.1174 0.1310 103 GLN B CA 3132 C C . GLN B 60 ? 0.7291 0.6118 0.4471 0.0082 -0.1011 0.1150 103 GLN B C 3133 O O . GLN B 60 ? 0.7249 0.5806 0.4273 0.0131 -0.0872 0.1205 103 GLN B O 3134 C CB . GLN B 60 ? 0.7144 0.6466 0.4655 0.0396 -0.1105 0.1555 103 GLN B CB 3135 C CG . GLN B 60 ? 0.7266 0.7037 0.4772 0.0605 -0.1230 0.1822 103 GLN B CG 3136 C CD . GLN B 60 ? 0.7473 0.7117 0.5346 0.0832 -0.1089 0.2064 103 GLN B CD 3137 O OE1 . GLN B 60 ? 0.7114 0.6290 0.5112 0.0862 -0.0879 0.2097 103 GLN B OE1 3138 N NE2 . GLN B 60 ? 0.7012 0.7078 0.5120 0.0978 -0.1200 0.2193 103 GLN B NE2 3139 N N . MET B 61 ? 0.5911 0.4680 0.3299 -0.0065 -0.1020 0.0984 104 MET B N 3140 C CA . MET B 61 ? 0.5431 0.3832 0.2817 -0.0151 -0.0893 0.0866 104 MET B CA 3141 C C . MET B 61 ? 0.6197 0.4469 0.3308 -0.0243 -0.0891 0.0706 104 MET B C 3142 O O . MET B 61 ? 0.6667 0.4666 0.3683 -0.0219 -0.0762 0.0687 104 MET B O 3143 C CB . MET B 61 ? 0.6655 0.5062 0.4298 -0.0253 -0.0883 0.0796 104 MET B CB 3144 C CG . MET B 61 ? 0.7085 0.5177 0.4712 -0.0302 -0.0770 0.0726 104 MET B CG 3145 S SD . MET B 61 ? 0.6377 0.4507 0.4245 -0.0350 -0.0711 0.0756 104 MET B SD 3146 C CE . MET B 61 ? 0.7034 0.4849 0.4813 -0.0327 -0.0607 0.0735 104 MET B CE 3147 N N . GLN B 62 ? 0.5820 0.4325 0.2843 -0.0349 -0.1034 0.0558 105 GLN B N 3148 C CA . GLN B 62 ? 0.7301 0.5716 0.4048 -0.0434 -0.1038 0.0328 105 GLN B CA 3149 C C . GLN B 62 ? 0.6993 0.5374 0.3367 -0.0279 -0.0947 0.0426 105 GLN B C 3150 O O . GLN B 62 ? 0.7424 0.5556 0.3635 -0.0287 -0.0816 0.0307 105 GLN B O 3151 C CB . GLN B 62 ? 0.6413 0.5195 0.3139 -0.0572 -0.1247 0.0111 105 GLN B CB 3152 C CG . GLN B 62 ? 0.6937 0.5684 0.3332 -0.0656 -0.1269 -0.0210 105 GLN B CG 3153 C CD . GLN B 62 ? 0.9077 0.7390 0.5682 -0.0831 -0.1153 -0.0469 105 GLN B CD 3154 O OE1 . GLN B 62 ? 0.9406 0.7376 0.6268 -0.0818 -0.1001 -0.0327 105 GLN B OE1 3155 N NE2 . GLN B 62 ? 0.9545 0.7886 0.6052 -0.0984 -0.1225 -0.0857 105 GLN B NE2 3156 N N . GLU B 63 ? 0.6996 0.5632 0.3277 -0.0122 -0.0987 0.0678 106 GLU B N 3157 C CA . GLU B 63 ? 0.6546 0.5175 0.2507 0.0041 -0.0861 0.0865 106 GLU B CA 3158 C C . GLU B 63 ? 0.6377 0.4598 0.2500 0.0075 -0.0619 0.0961 106 GLU B C 3159 O O . GLU B 63 ? 0.6900 0.5024 0.2801 0.0125 -0.0463 0.0978 106 GLU B O 3160 C CB . GLU B 63 ? 0.6299 0.5262 0.2232 0.0228 -0.0928 0.1193 106 GLU B CB 3161 C CG . GLU B 63 ? 1.0721 1.0252 0.6453 0.0233 -0.1182 0.1108 106 GLU B CG 3162 C CD . GLU B 63 ? 1.1406 1.1333 0.7391 0.0393 -0.1257 0.1436 106 GLU B CD 3163 O OE1 . GLU B 63 ? 1.1903 1.1506 0.8174 0.0482 -0.1111 0.1691 106 GLU B OE1 3164 O OE2 . GLU B 63 ? 1.1573 1.1831 0.7401 0.0432 -0.1497 0.1344 106 GLU B OE2 3165 N N . ASP B 64 ? 0.6017 0.4061 0.2537 0.0049 -0.0590 0.1004 107 ASP B N 3166 C CA . ASP B 64 ? 0.6779 0.4525 0.3515 0.0053 -0.0413 0.1030 107 ASP B CA 3167 C C . ASP B 64 ? 0.7103 0.4678 0.3781 -0.0030 -0.0349 0.0817 107 ASP B C 3168 O O . ASP B 64 ? 0.7549 0.5008 0.4205 0.0008 -0.0186 0.0840 107 ASP B O 3169 C CB . ASP B 64 ? 0.6718 0.4393 0.3834 0.0039 -0.0434 0.1039 107 ASP B CB 3170 C CG . ASP B 64 ? 0.7512 0.5250 0.4796 0.0156 -0.0420 0.1245 107 ASP B CG 3171 O OD1 . ASP B 64 ? 0.8219 0.6076 0.5406 0.0259 -0.0365 0.1437 107 ASP B OD1 3172 O OD2 . ASP B 64 ? 0.7032 0.4750 0.4596 0.0161 -0.0437 0.1210 107 ASP B OD2 3173 N N . VAL B 65 ? 0.6437 0.3996 0.3152 -0.0138 -0.0453 0.0632 108 VAL B N 3174 C CA . VAL B 65 ? 0.5748 0.3093 0.2489 -0.0193 -0.0379 0.0457 108 VAL B CA 3175 C C . VAL B 65 ? 0.6102 0.3424 0.2519 -0.0169 -0.0292 0.0324 108 VAL B C 3176 O O . VAL B 65 ? 0.6972 0.4121 0.3422 -0.0128 -0.0136 0.0266 108 VAL B O 3177 C CB . VAL B 65 ? 0.6798 0.4097 0.3690 -0.0317 -0.0475 0.0328 108 VAL B CB 3178 C CG1 . VAL B 65 ? 0.6623 0.3637 0.3614 -0.0336 -0.0362 0.0206 108 VAL B CG1 3179 C CG2 . VAL B 65 ? 0.5793 0.3182 0.2945 -0.0316 -0.0532 0.0469 108 VAL B CG2 3180 N N . ILE B 66 ? 0.6291 0.3845 0.2390 -0.0175 -0.0393 0.0268 109 ILE B N 3181 C CA . ILE B 66 ? 0.7748 0.5374 0.3432 -0.0127 -0.0314 0.0126 109 ILE B CA 3182 C C . ILE B 66 ? 0.8362 0.5973 0.3969 0.0021 -0.0094 0.0364 109 ILE B C 3183 O O . ILE B 66 ? 0.8272 0.5792 0.3741 0.0071 0.0090 0.0261 109 ILE B O 3184 C CB . ILE B 66 ? 0.7816 0.5836 0.3133 -0.0134 -0.0506 0.0052 109 ILE B CB 3185 C CG1 . ILE B 66 ? 0.8339 0.6391 0.3798 -0.0328 -0.0701 -0.0268 109 ILE B CG1 3186 C CG2 . ILE B 66 ? 0.7867 0.6055 0.2649 -0.0032 -0.0406 -0.0045 109 ILE B CG2 3187 C CD1 . ILE B 66 ? 0.8129 0.6673 0.3297 -0.0361 -0.0942 -0.0400 109 ILE B CD1 3188 N N . SER B 67 ? 0.7790 0.5477 0.3552 0.0088 -0.0088 0.0677 110 SER B N 3189 C CA . SER B 67 ? 0.8267 0.5915 0.4095 0.0194 0.0143 0.0936 110 SER B CA 3190 C C . SER B 67 ? 0.7380 0.4796 0.3597 0.0156 0.0290 0.0868 110 SER B C 3191 O O . SER B 67 ? 0.7612 0.5015 0.3838 0.0214 0.0515 0.0925 110 SER B O 3192 C CB . SER B 67 ? 0.7492 0.5191 0.3527 0.0255 0.0124 0.1256 110 SER B CB 3193 O OG . SER B 67 ? 0.9329 0.6938 0.5547 0.0323 0.0376 0.1507 110 SER B OG 3194 N N . LEU B 68 ? 0.6088 0.3386 0.2633 0.0074 0.0167 0.0766 111 LEU B N 3195 C CA . LEU B 68 ? 0.6209 0.3386 0.3123 0.0062 0.0251 0.0711 111 LEU B CA 3196 C C . LEU B 68 ? 0.7389 0.4478 0.4185 0.0093 0.0366 0.0528 111 LEU B C 3197 O O . LEU B 68 ? 0.7036 0.4125 0.4030 0.0150 0.0542 0.0550 111 LEU B O 3198 C CB . LEU B 68 ? 0.5957 0.3097 0.3136 0.0001 0.0082 0.0660 111 LEU B CB 3199 C CG . LEU B 68 ? 0.6759 0.3907 0.4339 0.0010 0.0103 0.0655 111 LEU B CG 3200 C CD1 . LEU B 68 ? 0.7272 0.4484 0.5005 -0.0025 -0.0059 0.0657 111 LEU B CD1 3201 C CD2 . LEU B 68 ? 0.7129 0.4201 0.4767 0.0054 0.0160 0.0554 111 LEU B CD2 3202 N N . TRP B 69 ? 0.7557 0.4580 0.4089 0.0052 0.0276 0.0326 112 TRP B N 3203 C CA . TRP B 69 ? 0.7187 0.4052 0.3648 0.0081 0.0394 0.0094 112 TRP B CA 3204 C C . TRP B 69 ? 0.7918 0.4882 0.4047 0.0179 0.0603 0.0045 112 TRP B C 3205 O O . TRP B 69 ? 0.7547 0.4418 0.3772 0.0262 0.0801 -0.0056 112 TRP B O 3206 C CB . TRP B 69 ? 0.6839 0.3571 0.3194 -0.0027 0.0252 -0.0153 112 TRP B CB 3207 C CG . TRP B 69 ? 0.6579 0.3129 0.3326 -0.0078 0.0176 -0.0114 112 TRP B CG 3208 C CD1 . TRP B 69 ? 0.6917 0.3562 0.3899 -0.0095 0.0066 0.0098 112 TRP B CD1 3209 C CD2 . TRP B 69 ? 0.6409 0.2657 0.3352 -0.0097 0.0233 -0.0272 112 TRP B CD2 3210 N NE1 . TRP B 69 ? 0.7280 0.3760 0.4532 -0.0112 0.0046 0.0114 112 TRP B NE1 3211 C CE2 . TRP B 69 ? 0.7454 0.3663 0.4721 -0.0113 0.0155 -0.0080 112 TRP B CE2 3212 C CE3 . TRP B 69 ? 0.6879 0.2872 0.3768 -0.0090 0.0365 -0.0561 112 TRP B CE3 3213 C CZ2 . TRP B 69 ? 0.6719 0.2641 0.4266 -0.0111 0.0215 -0.0090 112 TRP B CZ2 3214 C CZ3 . TRP B 69 ? 0.7542 0.3186 0.4773 -0.0103 0.0426 -0.0615 112 TRP B CZ3 3215 C CH2 . TRP B 69 ? 0.6707 0.2317 0.4269 -0.0108 0.0356 -0.0343 112 TRP B CH2 3216 N N . ASP B 70 ? 0.7964 0.5154 0.3702 0.0196 0.0574 0.0142 113 ASP B N 3217 C CA . ASP B 70 ? 0.8583 0.5942 0.3914 0.0313 0.0788 0.0147 113 ASP B CA 3218 C C . ASP B 70 ? 0.8294 0.5675 0.3933 0.0401 0.1066 0.0389 113 ASP B C 3219 O O . ASP B 70 ? 0.9810 0.7256 0.5292 0.0504 0.1322 0.0329 113 ASP B O 3220 C CB . ASP B 70 ? 1.0313 0.7978 0.5168 0.0349 0.0686 0.0301 113 ASP B CB 3221 C CG . ASP B 70 ? 1.1631 0.9411 0.6131 0.0268 0.0430 -0.0016 113 ASP B CG 3222 O OD1 . ASP B 70 ? 1.2669 1.0257 0.7189 0.0192 0.0417 -0.0404 113 ASP B OD1 3223 O OD2 . ASP B 70 ? 1.2258 1.0330 0.6513 0.0280 0.0247 0.0121 113 ASP B OD2 3224 N N . GLN B 71 ? 0.8380 0.5732 0.4490 0.0351 0.1024 0.0630 114 GLN B N 3225 C CA . GLN B 71 ? 0.8231 0.5646 0.4757 0.0385 0.1262 0.0846 114 GLN B CA 3226 C C . GLN B 71 ? 0.7811 0.5159 0.4833 0.0387 0.1309 0.0709 114 GLN B C 3227 O O . GLN B 71 ? 0.8055 0.5522 0.5411 0.0433 0.1541 0.0798 114 GLN B O 3228 C CB . GLN B 71 ? 0.7757 0.5181 0.4614 0.0317 0.1195 0.1115 114 GLN B CB 3229 C CG . GLN B 71 ? 1.0216 0.7725 0.6688 0.0365 0.1181 0.1349 114 GLN B CG 3230 C CD . GLN B 71 ? 1.0488 0.7913 0.7308 0.0303 0.1049 0.1522 114 GLN B CD 3231 O OE1 . GLN B 71 ? 1.0473 0.7808 0.7860 0.0220 0.1068 0.1520 114 GLN B OE1 3232 N NE2 . GLN B 71 ? 1.0962 0.8452 0.7460 0.0353 0.0910 0.1646 114 GLN B NE2 3233 N N . SER B 72 ? 0.6865 0.4058 0.3966 0.0349 0.1101 0.0524 115 SER B N 3234 C CA . SER B 72 ? 0.6823 0.4000 0.4421 0.0379 0.1095 0.0473 115 SER B CA 3235 C C . SER B 72 ? 0.7999 0.5019 0.5534 0.0486 0.1202 0.0259 115 SER B C 3236 O O . SER B 72 ? 0.8967 0.6060 0.6880 0.0594 0.1347 0.0263 115 SER B O 3237 C CB . SER B 72 ? 0.7103 0.4239 0.4905 0.0298 0.0820 0.0494 115 SER B CB 3238 O OG . SER B 72 ? 0.8012 0.5254 0.5918 0.0211 0.0741 0.0641 115 SER B OG 3239 N N . LEU B 73 ? 0.8158 0.4976 0.5275 0.0456 0.1131 0.0056 116 LEU B N 3240 C CA . LEU B 73 ? 0.8787 0.5353 0.5905 0.0533 0.1225 -0.0198 116 LEU B CA 3241 C C . LEU B 73 ? 0.9441 0.5996 0.6106 0.0599 0.1434 -0.0445 116 LEU B C 3242 O O . LEU B 73 ? 1.0015 0.6393 0.6346 0.0541 0.1371 -0.0740 116 LEU B O 3243 C CB . LEU B 73 ? 0.9819 0.6123 0.6935 0.0425 0.1008 -0.0308 116 LEU B CB 3244 C CG . LEU B 73 ? 0.9616 0.5908 0.7193 0.0436 0.0877 -0.0096 116 LEU B CG 3245 C CD1 . LEU B 73 ? 0.9357 0.5548 0.6863 0.0288 0.0649 -0.0081 116 LEU B CD1 3246 C CD2 . LEU B 73 ? 0.9602 0.5703 0.7549 0.0598 0.1021 -0.0120 116 LEU B CD2 3247 N N . GLN B 74 ? 0.9816 0.6597 0.6490 0.0714 0.1690 -0.0343 117 GLN B N 3248 C CA . GLN B 74 ? 1.1121 0.7962 0.7334 0.0819 0.1942 -0.0566 117 GLN B CA 3249 C C . GLN B 74 ? 0.9801 0.6425 0.6265 0.0973 0.2166 -0.0827 117 GLN B C 3250 O O . GLN B 74 ? 1.0086 0.6763 0.7116 0.1085 0.2294 -0.0667 117 GLN B O 3251 C CB . GLN B 74 ? 1.2547 0.9753 0.8655 0.0887 0.2173 -0.0286 117 GLN B CB 3252 C CG . GLN B 74 ? 1.3079 1.0467 0.8832 0.0787 0.2019 -0.0040 117 GLN B CG 3253 C CD . GLN B 74 ? 1.3038 1.0486 0.8028 0.0781 0.1915 -0.0274 117 GLN B CD 3254 O OE1 . GLN B 74 ? 1.3160 1.0597 0.7783 0.0867 0.2058 -0.0619 117 GLN B OE1 3255 N NE2 . GLN B 74 ? 1.2779 1.0329 0.7549 0.0686 0.1660 -0.0116 117 GLN B NE2 3256 N N . PRO B 75 ? 0.9956 0.6351 0.6037 0.0985 0.2211 -0.1252 118 PRO B N 3257 C CA . PRO B 75 ? 1.0681 0.6771 0.7001 0.1141 0.2447 -0.1563 118 PRO B CA 3258 C C . PRO B 75 ? 1.1548 0.7880 0.7813 0.1362 0.2848 -0.1598 118 PRO B C 3259 O O . PRO B 75 ? 1.1687 0.8421 0.7632 0.1375 0.2953 -0.1400 118 PRO B O 3260 C CB . PRO B 75 ? 1.1303 0.7116 0.7168 0.1029 0.2351 -0.2065 118 PRO B CB 3261 C CG . PRO B 75 ? 1.1424 0.7624 0.6615 0.0913 0.2190 -0.2034 118 PRO B CG 3262 C CD . PRO B 75 ? 0.9914 0.6347 0.5348 0.0846 0.2021 -0.1492 118 PRO B CD 3263 N N . CYS B 76 ? 1.2230 0.8316 0.8847 0.1551 0.3099 -0.1819 119 CYS B N 3264 C CA . CYS B 76 ? 1.2999 0.9307 0.9589 0.1788 0.3524 -0.1914 119 CYS B CA 3265 C C . CYS B 76 ? 1.4590 1.1063 1.0344 0.1767 0.3606 -0.2281 119 CYS B C 3266 O O . CYS B 76 ? 1.4758 1.1702 1.0180 0.1835 0.3797 -0.2127 119 CYS B O 3267 C CB . CYS B 76 ? 1.1061 0.7063 0.8253 0.1996 0.3720 -0.2103 119 CYS B CB 3268 S SG . CYS B 76 ? 1.2637 0.8475 1.0776 0.2064 0.3566 -0.1689 119 CYS B SG 3269 N N . VAL B 77 ? 1.5030 1.1241 1.0572 0.1643 0.3389 -0.2726 120 VAL B N 3270 C CA . VAL B 77 ? 1.2510 0.9041 0.7344 0.1581 0.3307 -0.3102 120 VAL B CA 3271 C C . VAL B 77 ? 1.4507 1.0936 0.9018 0.1319 0.2896 -0.3230 120 VAL B C 3272 O O . VAL B 77 ? 1.3583 0.9553 0.8508 0.1184 0.2706 -0.3240 120 VAL B O 3273 C CB . VAL B 77 ? 1.3840 1.0315 0.8761 0.1714 0.3449 -0.3651 120 VAL B CB 3274 C CG1 . VAL B 77 ? 1.3338 0.9846 0.8765 0.1976 0.3835 -0.3500 120 VAL B CG1 3275 C CG2 . VAL B 77 ? 1.4453 1.0368 0.9746 0.1593 0.3218 -0.4004 120 VAL B CG2 3276 N N . LYS B 78 ? 1.5828 1.2758 0.9655 0.1254 0.2756 -0.3275 121 LYS B N 3277 C CA . LYS B 78 ? 1.5835 1.2820 0.9380 0.1023 0.2347 -0.3410 121 LYS B CA 3278 C C . LYS B 78 ? 1.6738 1.4116 0.9854 0.1027 0.2215 -0.3987 121 LYS B C 3279 O O . LYS B 78 ? 1.6942 1.4897 0.9593 0.1162 0.2372 -0.4047 121 LYS B O 3280 C CB . LYS B 78 ? 1.5035 1.2351 0.8217 0.0969 0.2210 -0.2880 121 LYS B CB 3281 C CG . LYS B 78 ? 1.5531 1.2886 0.8578 0.0739 0.1778 -0.2928 121 LYS B CG 3282 C CD . LYS B 78 ? 1.5858 1.3454 0.8705 0.0730 0.1657 -0.2334 121 LYS B CD 3283 C CE . LYS B 78 ? 1.6346 1.3997 0.9163 0.0517 0.1231 -0.2362 121 LYS B CE 3284 N NZ . LYS B 78 ? 1.6101 1.3983 0.8851 0.0535 0.1109 -0.1772 121 LYS B NZ 3285 N N . LEU B 79 ? 1.7527 1.4593 1.0810 0.0891 0.1927 -0.4395 122 LEU B N 3286 C CA . LEU B 79 ? 1.9190 1.6279 1.1992 0.0984 0.1779 -0.4944 122 LEU B CA 3287 C C . LEU B 79 ? 2.0054 1.7103 1.2422 0.0770 0.1350 -0.5045 122 LEU B C 3288 O O . LEU B 79 ? 2.0755 1.7378 1.3327 0.0570 0.1187 -0.5436 122 LEU B O 3289 C CB . LEU B 79 ? 1.8904 1.5313 1.2215 0.1004 0.1919 -0.5343 122 LEU B CB 3290 C CG . LEU B 79 ? 1.8479 1.4799 1.2190 0.1241 0.2353 -0.5258 122 LEU B CG 3291 C CD1 . LEU B 79 ? 1.5562 1.1200 0.9808 0.1274 0.2452 -0.5618 122 LEU B CD1 3292 C CD2 . LEU B 79 ? 1.9006 1.5948 1.2067 0.1513 0.2580 -0.5301 122 LEU B CD2 3293 N N . THR B 80 ? 1.9730 1.7240 1.1622 0.0745 0.1201 -0.4638 123 THR B N 3294 C CA . THR B 80 ? 1.9886 1.7420 1.1277 0.0466 0.0859 -0.4704 123 THR B CA 3295 C C . THR B 80 ? 2.0268 1.8353 1.0945 0.0409 0.0896 -0.4282 123 THR B C 3296 O O . THR B 80 ? 1.9874 1.8239 1.0574 0.0444 0.1205 -0.3849 123 THR B O 3297 C CB . THR B 80 ? 1.8257 1.5746 1.0340 0.0243 0.0528 -0.4622 123 THR B CB 3298 O OG1 . THR B 80 ? 1.7952 1.5767 1.0388 0.0322 0.0577 -0.4115 123 THR B OG1 3299 C CG2 . THR B 80 ? 1.7080 1.4013 0.9981 0.0115 0.0563 -0.4994 123 THR B CG2 3300 N N . GLY B 81 ? 2.0654 1.9138 1.0976 0.0271 0.0565 -0.4417 124 GLY B N 3301 C CA . GLY B 81 ? 2.0296 1.9458 1.0039 0.0316 0.0527 -0.4061 124 GLY B CA 3302 C C . GLY B 81 ? 2.0769 2.0104 0.9864 0.0423 0.0674 -0.4424 124 GLY B C 3303 O O . GLY B 81 ? 2.1306 2.1226 0.9846 0.0508 0.0638 -0.4211 124 GLY B O 3304 N N . GLY B 82 ? 2.0254 1.9073 0.9445 0.0449 0.0838 -0.4968 198 GLY B N 3305 C CA . GLY B 82 ? 1.9760 1.8660 0.8363 0.0555 0.1011 -0.5398 198 GLY B CA 3306 C C . GLY B 82 ? 2.0399 1.9201 0.8807 0.0769 0.1554 -0.5206 198 GLY B C 3307 O O . GLY B 82 ? 2.1616 2.0505 0.9498 0.0891 0.1777 -0.5505 198 GLY B O 3308 N N . SER B 83 ? 2.0479 1.9156 0.9361 0.0792 0.1781 -0.4729 199 SER B N 3309 C CA . SER B 83 ? 2.1972 2.0754 1.0886 0.0920 0.2310 -0.4500 199 SER B CA 3310 C C . SER B 83 ? 2.1377 1.9689 1.1190 0.0963 0.2557 -0.4534 199 SER B C 3311 O O . SER B 83 ? 2.0735 1.8505 1.1000 0.1012 0.2284 -0.4623 199 SER B O 3312 C CB . SER B 83 ? 2.2535 2.2048 1.1477 0.0928 0.2339 -0.3795 199 SER B CB 3313 O OG . SER B 83 ? 2.3842 2.3841 1.2080 0.0972 0.2107 -0.3661 199 SER B OG 3314 N N . VAL B 84 ? 2.1539 2.0255 1.1700 0.1027 0.3008 -0.4466 200 VAL B N 3315 C CA . VAL B 84 ? 2.0371 1.9573 1.1825 0.1221 0.3089 -0.4628 200 VAL B CA 3316 C C . VAL B 84 ? 1.9920 1.9313 1.1455 0.1443 0.3339 -0.3956 200 VAL B C 3317 O O . VAL B 84 ? 2.0590 2.0310 1.1777 0.1525 0.3658 -0.3738 200 VAL B O 3318 C CB . VAL B 84 ? 2.0530 1.9908 1.2247 0.1575 0.3225 -0.5181 200 VAL B CB 3319 C CG1 . VAL B 84 ? 1.9706 1.8469 1.1988 0.1935 0.3438 -0.5046 200 VAL B CG1 3320 C CG2 . VAL B 84 ? 2.2560 1.9963 1.2915 0.1916 0.3025 -0.5351 200 VAL B CG2 3321 N N . ILE B 85 ? 1.8128 1.7112 1.0166 0.1489 0.3200 -0.3531 201 ILE B N 3322 C CA . ILE B 85 ? 1.6474 1.5468 0.8718 0.1591 0.3404 -0.2810 201 ILE B CA 3323 C C . ILE B 85 ? 1.4714 1.3179 0.7719 0.1715 0.3614 -0.2674 201 ILE B C 3324 O O . ILE B 85 ? 1.3670 1.1596 0.7071 0.1627 0.3428 -0.2708 201 ILE B O 3325 C CB . ILE B 85 ? 1.6115 1.5136 0.8239 0.1452 0.3102 -0.2315 201 ILE B CB 3326 C CG1 . ILE B 85 ? 1.6871 1.6391 0.8290 0.1310 0.2876 -0.2385 201 ILE B CG1 3327 C CG2 . ILE B 85 ? 1.5513 1.4587 0.7942 0.1545 0.3327 -0.1615 201 ILE B CG2 3328 C CD1 . ILE B 85 ? 1.6515 1.6097 0.7881 0.1202 0.2550 -0.1915 201 ILE B CD1 3329 N N . LYS B 86 ? 1.5190 1.3847 0.8431 0.1896 0.4010 -0.2499 202 LYS B N 3330 C CA . LYS B 86 ? 1.4894 1.3201 0.8930 0.2012 0.4230 -0.2320 202 LYS B CA 3331 C C . LYS B 86 ? 1.4679 1.3110 0.9035 0.1990 0.4318 -0.1644 202 LYS B C 3332 O O . LYS B 86 ? 1.5163 1.4054 0.9266 0.1996 0.4449 -0.1298 202 LYS B O 3333 C CB . LYS B 86 ? 1.5475 1.3985 0.9722 0.2229 0.4612 -0.2543 202 LYS B CB 3334 C CG . LYS B 86 ? 1.7990 1.6639 1.1762 0.2273 0.4599 -0.3212 202 LYS B CG 3335 C CD . LYS B 86 ? 1.8464 1.6524 1.2484 0.2226 0.4342 -0.3703 202 LYS B CD 3336 C CE . LYS B 86 ? 1.9077 1.7250 1.2834 0.2355 0.4393 -0.4399 202 LYS B CE 3337 N NZ . LYS B 86 ? 1.8995 1.6512 1.3016 0.2315 0.4120 -0.4837 202 LYS B NZ 3338 N N . GLN B 87 ? 1.4788 1.2834 0.9758 0.1955 0.4249 -0.1460 203 GLN B N 3339 C CA . GLN B 87 ? 1.4034 1.2232 0.9460 0.1920 0.4340 -0.0892 203 GLN B CA 3340 C C . GLN B 87 ? 1.2688 1.0653 0.9046 0.1917 0.4262 -0.0802 203 GLN B C 3341 O O . GLN B 87 ? 1.2100 0.9706 0.8677 0.1986 0.4196 -0.1127 203 GLN B O 3342 C CB . GLN B 87 ? 1.3377 1.1606 0.8402 0.1735 0.4051 -0.0604 203 GLN B CB 3343 C CG . GLN B 87 ? 1.3117 1.0960 0.8166 0.1549 0.3565 -0.0786 203 GLN B CG 3344 C CD . GLN B 87 ? 1.3716 1.1663 0.8530 0.1376 0.3264 -0.0463 203 GLN B CD 3345 O OE1 . GLN B 87 ? 1.4528 1.2789 0.9183 0.1399 0.3419 -0.0077 203 GLN B OE1 3346 N NE2 . GLN B 87 ? 1.3680 1.1357 0.8515 0.1215 0.2861 -0.0594 203 GLN B NE2 3347 N N . ALA B 88 ? 1.2635 1.0848 0.9602 0.1824 0.4232 -0.0353 204 ALA B N 3348 C CA . ALA B 88 ? 1.2403 1.0577 1.0285 0.1806 0.4079 -0.0234 204 ALA B CA 3349 C C . ALA B 88 ? 1.1981 0.9770 0.9858 0.1657 0.3608 -0.0321 204 ALA B C 3350 O O . ALA B 88 ? 1.1869 0.9547 0.9265 0.1484 0.3353 -0.0291 204 ALA B O 3351 C CB . ALA B 88 ? 1.2011 1.0599 1.0530 0.1703 0.4143 0.0198 204 ALA B CB 3352 N N . CYS B 89 ? 1.2522 1.0141 1.0955 0.1749 0.3514 -0.0395 205 CYS B N 3353 C CA . CYS B 89 ? 1.2239 0.9531 1.0746 0.1632 0.3115 -0.0413 205 CYS B CA 3354 C C . CYS B 89 ? 1.0600 0.8044 0.9928 0.1709 0.2993 -0.0200 205 CYS B C 3355 O O . CYS B 89 ? 1.0318 0.7515 0.9924 0.1867 0.2983 -0.0290 205 CYS B O 3356 C CB . CYS B 89 ? 1.3530 1.0315 1.1659 0.1683 0.3105 -0.0806 205 CYS B CB 3357 S SG . CYS B 89 ? 1.4000 1.0640 1.2354 0.2007 0.3548 -0.1116 205 CYS B SG 3358 N N . PRO B 90 ? 0.9757 0.7627 0.9501 0.1604 0.2901 0.0085 206 PRO B N 3359 C CA . PRO B 90 ? 0.9675 0.7816 1.0168 0.1670 0.2728 0.0259 206 PRO B CA 3360 C C . PRO B 90 ? 0.9182 0.7051 0.9563 0.1593 0.2345 0.0282 206 PRO B C 3361 O O . PRO B 90 ? 0.8351 0.5958 0.8203 0.1406 0.2176 0.0229 206 PRO B O 3362 C CB . PRO B 90 ? 0.8999 0.7633 0.9871 0.1499 0.2705 0.0469 206 PRO B CB 3363 C CG . PRO B 90 ? 0.8816 0.7253 0.9043 0.1296 0.2700 0.0472 206 PRO B CG 3364 C CD . PRO B 90 ? 0.8944 0.7050 0.8501 0.1411 0.2924 0.0253 206 PRO B CD 3365 N N . LYS B 91 ? 0.8585 0.6555 0.9464 0.1760 0.2227 0.0389 207 LYS B N 3366 C CA . LYS B 91 ? 0.7924 0.5717 0.8731 0.1716 0.1895 0.0480 207 LYS B CA 3367 C C . LYS B 91 ? 0.7101 0.5214 0.7902 0.1481 0.1606 0.0592 207 LYS B C 3368 O O . LYS B 91 ? 0.7684 0.6292 0.8909 0.1432 0.1602 0.0664 207 LYS B O 3369 C CB . LYS B 91 ? 0.7256 0.5183 0.8614 0.1997 0.1857 0.0647 207 LYS B CB 3370 C CG . LYS B 91 ? 0.7163 0.4603 0.8539 0.2237 0.2132 0.0530 207 LYS B CG 3371 C CD . LYS B 91 ? 0.7410 0.4172 0.8244 0.2105 0.2084 0.0370 207 LYS B CD 3372 C CE . LYS B 91 ? 0.8024 0.4237 0.8983 0.2326 0.2352 0.0219 207 LYS B CE 3373 N NZ . LYS B 91 ? 0.9096 0.4667 0.9654 0.2158 0.2296 0.0038 207 LYS B NZ 3374 N N . ILE B 92 ? 0.5967 0.3798 0.6343 0.1329 0.1383 0.0580 208 ILE B N 3375 C CA . ILE B 92 ? 0.7435 0.5489 0.7750 0.1113 0.1140 0.0635 208 ILE B CA 3376 C C . ILE B 92 ? 0.7258 0.5450 0.7673 0.1140 0.0837 0.0753 208 ILE B C 3377 O O . ILE B 92 ? 0.6075 0.4099 0.6515 0.1311 0.0818 0.0841 208 ILE B O 3378 C CB . ILE B 92 ? 0.7160 0.4876 0.6879 0.0913 0.1133 0.0538 208 ILE B CB 3379 C CG1 . ILE B 92 ? 0.6871 0.4159 0.6209 0.0906 0.1024 0.0482 208 ILE B CG1 3380 C CG2 . ILE B 92 ? 0.7407 0.5042 0.6909 0.0916 0.1432 0.0448 208 ILE B CG2 3381 C CD1 . ILE B 92 ? 0.7529 0.4595 0.6342 0.0717 0.0960 0.0391 208 ILE B CD1 3382 N N . SER B 93 ? 0.6780 0.5276 0.7259 0.0982 0.0626 0.0759 209 SER B N 3383 C CA . SER B 93 ? 0.5789 0.4465 0.6238 0.0993 0.0339 0.0837 209 SER B CA 3384 C C . SER B 93 ? 0.6215 0.4499 0.6134 0.0835 0.0262 0.0797 209 SER B C 3385 O O . SER B 93 ? 0.6519 0.4738 0.6279 0.0651 0.0263 0.0702 209 SER B O 3386 C CB . SER B 93 ? 0.5699 0.4970 0.6541 0.0909 0.0149 0.0785 209 SER B CB 3387 O OG . SER B 93 ? 0.5922 0.5449 0.6673 0.0950 -0.0128 0.0832 209 SER B OG 3388 N N . PHE B 94 ? 0.6039 0.4075 0.5745 0.0919 0.0215 0.0896 210 PHE B N 3389 C CA . PHE B 94 ? 0.6466 0.4132 0.5741 0.0776 0.0179 0.0858 210 PHE B CA 3390 C C . PHE B 94 ? 0.6240 0.4007 0.5428 0.0817 0.0005 0.1012 210 PHE B C 3391 O O . PHE B 94 ? 0.5226 0.2928 0.4513 0.0986 0.0034 0.1195 210 PHE B O 3392 C CB . PHE B 94 ? 0.6500 0.3665 0.5602 0.0789 0.0375 0.0784 210 PHE B CB 3393 C CG . PHE B 94 ? 0.6435 0.3286 0.5159 0.0615 0.0332 0.0699 210 PHE B CG 3394 C CD1 . PHE B 94 ? 0.5695 0.2361 0.4380 0.0611 0.0276 0.0805 210 PHE B CD1 3395 C CD2 . PHE B 94 ? 0.6886 0.3670 0.5329 0.0468 0.0360 0.0545 210 PHE B CD2 3396 C CE1 . PHE B 94 ? 0.6517 0.2964 0.4950 0.0434 0.0236 0.0715 210 PHE B CE1 3397 C CE2 . PHE B 94 ? 0.7137 0.3732 0.5281 0.0322 0.0291 0.0466 210 PHE B CE2 3398 C CZ . PHE B 94 ? 0.7111 0.3548 0.5278 0.0291 0.0224 0.0529 210 PHE B CZ 3399 N N . ASP B 95 ? 0.5080 0.3003 0.4094 0.0681 -0.0145 0.0958 211 ASP B N 3400 C CA . ASP B 95 ? 0.5513 0.3576 0.4377 0.0714 -0.0282 0.1088 211 ASP B CA 3401 C C . ASP B 95 ? 0.5020 0.3090 0.3655 0.0535 -0.0367 0.0957 211 ASP B C 3402 O O . ASP B 95 ? 0.5359 0.3713 0.4080 0.0477 -0.0464 0.0818 211 ASP B O 3403 C CB . ASP B 95 ? 0.4819 0.3436 0.3879 0.0885 -0.0434 0.1189 211 ASP B CB 3404 C CG . ASP B 95 ? 0.7440 0.6257 0.6275 0.0971 -0.0544 0.1372 211 ASP B CG 3405 O OD1 . ASP B 95 ? 0.5952 0.4411 0.4590 0.0932 -0.0449 0.1497 211 ASP B OD1 3406 O OD2 . ASP B 95 ? 0.7035 0.6413 0.5899 0.1076 -0.0722 0.1382 211 ASP B OD2 3407 N N . PRO B 96 ? 0.6151 0.3912 0.4559 0.0447 -0.0321 0.0987 212 PRO B N 3408 C CA . PRO B 96 ? 0.5430 0.3177 0.3657 0.0302 -0.0375 0.0886 212 PRO B CA 3409 C C . PRO B 96 ? 0.6148 0.4274 0.4348 0.0328 -0.0509 0.0856 212 PRO B C 3410 O O . PRO B 96 ? 0.4621 0.3002 0.2792 0.0451 -0.0567 0.0984 212 PRO B O 3411 C CB . PRO B 96 ? 0.6689 0.4158 0.4783 0.0242 -0.0317 0.0973 212 PRO B CB 3412 C CG . PRO B 96 ? 0.6273 0.3447 0.4473 0.0294 -0.0192 0.1014 212 PRO B CG 3413 C CD . PRO B 96 ? 0.6217 0.3623 0.4609 0.0478 -0.0202 0.1113 212 PRO B CD 3414 N N . ILE B 97 ? 0.5379 0.3544 0.3585 0.0230 -0.0544 0.0688 213 ILE B N 3415 C CA . ILE B 97 ? 0.6869 0.5343 0.5058 0.0240 -0.0649 0.0569 213 ILE B CA 3416 C C . ILE B 97 ? 0.5824 0.4174 0.3863 0.0174 -0.0622 0.0555 213 ILE B C 3417 O O . ILE B 97 ? 0.5984 0.4056 0.3984 0.0100 -0.0554 0.0602 213 ILE B O 3418 C CB . ILE B 97 ? 0.6321 0.4947 0.4784 0.0186 -0.0693 0.0344 213 ILE B CB 3419 C CG1 . ILE B 97 ? 0.5328 0.3623 0.3886 0.0071 -0.0581 0.0304 213 ILE B CG1 3420 C CG2 . ILE B 97 ? 0.5960 0.4805 0.4656 0.0250 -0.0727 0.0357 213 ILE B CG2 3421 C CD1 . ILE B 97 ? 0.5074 0.3443 0.3993 -0.0010 -0.0570 0.0114 213 ILE B CD1 3422 N N . PRO B 98 ? 0.4764 0.3378 0.2715 0.0218 -0.0677 0.0479 214 PRO B N 3423 C CA . PRO B 98 ? 0.5010 0.3561 0.2878 0.0185 -0.0632 0.0473 214 PRO B CA 3424 C C . PRO B 98 ? 0.5030 0.3376 0.3058 0.0114 -0.0600 0.0345 214 PRO B C 3425 O O . PRO B 98 ? 0.5793 0.4153 0.4012 0.0095 -0.0616 0.0166 214 PRO B O 3426 C CB . PRO B 98 ? 0.5507 0.4440 0.3253 0.0280 -0.0677 0.0368 214 PRO B CB 3427 C CG . PRO B 98 ? 0.6021 0.5229 0.3685 0.0378 -0.0750 0.0448 214 PRO B CG 3428 C CD . PRO B 98 ? 0.4522 0.3570 0.2412 0.0328 -0.0779 0.0411 214 PRO B CD 3429 N N . ILE B 99 ? 0.5636 0.3817 0.3628 0.0077 -0.0554 0.0452 215 ILE B N 3430 C CA . ILE B 99 ? 0.5407 0.3429 0.3532 0.0060 -0.0515 0.0419 215 ILE B CA 3431 C C . ILE B 99 ? 0.6022 0.4153 0.4163 0.0110 -0.0498 0.0428 215 ILE B C 3432 O O . ILE B 99 ? 0.5914 0.4144 0.3963 0.0096 -0.0505 0.0549 215 ILE B O 3433 C CB . ILE B 99 ? 0.5475 0.3289 0.3538 0.0010 -0.0490 0.0558 215 ILE B CB 3434 C CG1 . ILE B 99 ? 0.6158 0.3881 0.4223 -0.0018 -0.0467 0.0551 215 ILE B CG1 3435 C CG2 . ILE B 99 ? 0.4552 0.2250 0.2729 0.0038 -0.0440 0.0606 215 ILE B CG2 3436 C CD1 . ILE B 99 ? 0.6485 0.4213 0.4796 -0.0021 -0.0434 0.0434 215 ILE B CD1 3437 N N . HIS B 100 ? 0.6132 0.4243 0.4454 0.0165 -0.0458 0.0287 216 HIS B N 3438 C CA . HIS B 100 ? 0.4989 0.3197 0.3393 0.0250 -0.0412 0.0287 216 HIS B CA 3439 C C . HIS B 100 ? 0.6159 0.4200 0.4705 0.0283 -0.0383 0.0455 216 HIS B C 3440 O O . HIS B 100 ? 0.5474 0.3275 0.4142 0.0275 -0.0341 0.0482 216 HIS B O 3441 C CB . HIS B 100 ? 0.4877 0.3138 0.3428 0.0323 -0.0361 0.0005 216 HIS B CB 3442 C CG . HIS B 100 ? 0.4908 0.3454 0.3261 0.0328 -0.0411 -0.0171 216 HIS B CG 3443 N ND1 . HIS B 100 ? 0.5651 0.4512 0.3840 0.0419 -0.0374 -0.0216 216 HIS B ND1 3444 C CD2 . HIS B 100 ? 0.5559 0.4190 0.3848 0.0279 -0.0494 -0.0290 216 HIS B CD2 3445 C CE1 . HIS B 100 ? 0.5683 0.4813 0.3655 0.0437 -0.0437 -0.0337 216 HIS B CE1 3446 N NE2 . HIS B 100 ? 0.6174 0.5185 0.4220 0.0355 -0.0528 -0.0389 216 HIS B NE2 3447 N N . TYR B 101 ? 0.5721 0.3936 0.4273 0.0329 -0.0399 0.0593 217 TYR B N 3448 C CA . TYR B 101 ? 0.4508 0.2684 0.3184 0.0406 -0.0400 0.0781 217 TYR B CA 3449 C C . TYR B 101 ? 0.5671 0.3907 0.4638 0.0575 -0.0313 0.0768 217 TYR B C 3450 O O . TYR B 101 ? 0.5401 0.3892 0.4421 0.0620 -0.0290 0.0695 217 TYR B O 3451 C CB . TYR B 101 ? 0.5631 0.4021 0.4159 0.0337 -0.0516 0.0938 217 TYR B CB 3452 C CG . TYR B 101 ? 0.5997 0.4232 0.4279 0.0219 -0.0566 0.0959 217 TYR B CG 3453 C CD1 . TYR B 101 ? 0.6943 0.5068 0.5146 0.0263 -0.0565 0.1094 217 TYR B CD1 3454 C CD2 . TYR B 101 ? 0.6687 0.4888 0.4822 0.0094 -0.0585 0.0865 217 TYR B CD2 3455 C CE1 . TYR B 101 ? 0.6870 0.4880 0.4831 0.0176 -0.0577 0.1087 217 TYR B CE1 3456 C CE2 . TYR B 101 ? 0.6486 0.4530 0.4436 0.0014 -0.0601 0.0860 217 TYR B CE2 3457 C CZ . TYR B 101 ? 0.5382 0.3341 0.3236 0.0051 -0.0594 0.0947 217 TYR B CZ 3458 O OH . TYR B 101 ? 0.6480 0.4311 0.4130 -0.0010 -0.0579 0.0919 217 TYR B OH 3459 N N . CYS B 102 ? 0.6183 0.4173 0.5370 0.0684 -0.0232 0.0859 218 CYS B N 3460 C CA . CYS B 102 ? 0.6641 0.4562 0.6187 0.0867 -0.0102 0.0809 218 CYS B CA 3461 C C . CYS B 102 ? 0.7616 0.5528 0.7376 0.1055 -0.0074 0.1145 218 CYS B C 3462 O O . CYS B 102 ? 0.7473 0.5347 0.7087 0.1042 -0.0131 0.1400 218 CYS B O 3463 C CB . CYS B 102 ? 0.6149 0.3701 0.5905 0.0841 0.0027 0.0538 218 CYS B CB 3464 S SG . CYS B 102 ? 0.7205 0.4843 0.6691 0.0640 -0.0051 0.0182 218 CYS B SG 3465 N N . THR B 103 ? 0.6876 0.4857 0.6972 0.1257 0.0023 0.1152 219 THR B N 3466 C CA . THR B 103 ? 0.6832 0.4840 0.7205 0.1500 0.0062 0.1506 219 THR B CA 3467 C C . THR B 103 ? 0.6728 0.4193 0.7504 0.1638 0.0290 0.1531 219 THR B C 3468 O O . THR B 103 ? 0.7060 0.4227 0.8030 0.1588 0.0427 0.1166 219 THR B O 3469 C CB . THR B 103 ? 0.7816 0.6263 0.8429 0.1682 0.0052 0.1547 219 THR B CB 3470 O OG1 . THR B 103 ? 0.8422 0.6853 0.9131 0.1666 0.0176 0.1168 219 THR B OG1 3471 C CG2 . THR B 103 ? 0.6690 0.5703 0.7057 0.1574 -0.0178 0.1674 219 THR B CG2 3472 N N . PRO B 104 ? 0.7473 0.4822 0.8391 0.1814 0.0338 0.1963 220 PRO B N 3473 C CA . PRO B 104 ? 0.6738 0.3672 0.8054 0.1866 0.0548 0.1957 220 PRO B CA 3474 C C . PRO B 104 ? 0.7024 0.3956 0.8808 0.2121 0.0683 0.1923 220 PRO B C 3475 O O . PRO B 104 ? 0.8180 0.5430 1.0012 0.2262 0.0637 0.1863 220 PRO B O 3476 C CB . PRO B 104 ? 0.7882 0.4974 0.9000 0.1872 0.0490 0.2351 220 PRO B CB 3477 C CG . PRO B 104 ? 0.7448 0.5132 0.8237 0.1943 0.0247 0.2549 220 PRO B CG 3478 C CD . PRO B 104 ? 0.7188 0.4984 0.7769 0.1819 0.0136 0.2301 220 PRO B CD 3479 N N . ALA B 105 ? 0.7524 0.4126 0.9677 0.2186 0.0868 0.1970 221 ALA B N 3480 C CA . ALA B 105 ? 0.7903 0.4453 1.0523 0.2433 0.1022 0.1937 221 ALA B CA 3481 C C . ALA B 105 ? 0.8316 0.5409 1.0927 0.2684 0.0902 0.2344 221 ALA B C 3482 O O . ALA B 105 ? 0.8721 0.6070 1.1083 0.2690 0.0775 0.2723 221 ALA B O 3483 C CB . ALA B 105 ? 0.8516 0.4571 1.1539 0.2428 0.1253 0.1942 221 ALA B CB 3484 N N . GLY B 106 ? 0.8277 0.5600 1.1162 0.2891 0.0942 0.2232 222 GLY B N 3485 C CA . GLY B 106 ? 0.7927 0.5851 1.0897 0.3125 0.0819 0.2575 222 GLY B CA 3486 C C . GLY B 106 ? 0.7933 0.6491 1.0615 0.3069 0.0575 0.2587 222 GLY B C 3487 O O . GLY B 106 ? 0.7978 0.7153 1.0768 0.3221 0.0439 0.2804 222 GLY B O 3488 N N . TYR B 107 ? 0.7489 0.5921 0.9839 0.2841 0.0519 0.2352 223 TYR B N 3489 C CA . TYR B 107 ? 0.6873 0.5872 0.8929 0.2728 0.0298 0.2341 223 TYR B CA 3490 C C . TYR B 107 ? 0.7302 0.6231 0.9193 0.2498 0.0372 0.1817 223 TYR B C 3491 O O . TYR B 107 ? 0.7456 0.5851 0.9358 0.2428 0.0540 0.1505 223 TYR B O 3492 C CB . TYR B 107 ? 0.7136 0.6227 0.8669 0.2503 0.0063 0.2519 223 TYR B CB 3493 C CG . TYR B 107 ? 0.7710 0.7079 0.9161 0.2572 -0.0070 0.2858 223 TYR B CG 3494 C CD1 . TYR B 107 ? 0.7202 0.6144 0.8638 0.2591 0.0058 0.2999 223 TYR B CD1 3495 C CD2 . TYR B 107 ? 0.6467 0.6572 0.7873 0.2611 -0.0317 0.3020 223 TYR B CD2 3496 C CE1 . TYR B 107 ? 0.7601 0.6833 0.8928 0.2691 -0.0038 0.3329 223 TYR B CE1 3497 C CE2 . TYR B 107 ? 0.6998 0.7392 0.8294 0.2693 -0.0443 0.3294 223 TYR B CE2 3498 C CZ . TYR B 107 ? 0.7517 0.7469 0.8747 0.2754 -0.0294 0.3466 223 TYR B CZ 3499 O OH . TYR B 107 ? 0.8195 0.8471 0.9290 0.2873 -0.0397 0.3772 223 TYR B OH 3500 N N . VAL B 108 ? 0.7105 0.6613 0.8858 0.2380 0.0244 0.1733 224 VAL B N 3501 C CA . VAL B 108 ? 0.7179 0.6743 0.8747 0.2207 0.0325 0.1329 224 VAL B CA 3502 C C . VAL B 108 ? 0.7366 0.7405 0.8608 0.1937 0.0122 0.1358 224 VAL B C 3503 O O . VAL B 108 ? 0.8337 0.8881 0.9721 0.1951 -0.0034 0.1602 224 VAL B O 3504 C CB . VAL B 108 ? 0.6784 0.6554 0.8768 0.2459 0.0555 0.1169 224 VAL B CB 3505 C CG1 . VAL B 108 ? 0.7302 0.7472 0.9067 0.2305 0.0595 0.0921 224 VAL B CG1 3506 C CG2 . VAL B 108 ? 0.6857 0.6010 0.9086 0.2632 0.0807 0.0912 224 VAL B CG2 3507 N N . ILE B 109 ? 0.6346 0.6233 0.7196 0.1693 0.0120 0.1108 225 ILE B N 3508 C CA . ILE B 109 ? 0.5288 0.5534 0.5896 0.1443 -0.0012 0.1131 225 ILE B CA 3509 C C . ILE B 109 ? 0.6234 0.6914 0.6993 0.1475 0.0137 0.1034 225 ILE B C 3510 O O . ILE B 109 ? 0.6089 0.6655 0.6743 0.1537 0.0321 0.0785 225 ILE B O 3511 C CB . ILE B 109 ? 0.5666 0.5569 0.5804 0.1198 -0.0069 0.0980 225 ILE B CB 3512 C CG1 . ILE B 109 ? 0.5718 0.5227 0.5710 0.1158 -0.0180 0.1084 225 ILE B CG1 3513 C CG2 . ILE B 109 ? 0.5932 0.6139 0.5900 0.0963 -0.0163 0.1030 225 ILE B CG2 3514 C CD1 . ILE B 109 ? 0.6777 0.5978 0.6385 0.0946 -0.0224 0.0942 225 ILE B CD1 3515 N N . LEU B 110 ? 0.5451 0.6678 0.6469 0.1427 0.0063 0.1218 226 LEU B N 3516 C CA . LEU B 110 ? 0.5859 0.7554 0.7061 0.1422 0.0231 0.1184 226 LEU B CA 3517 C C . LEU B 110 ? 0.5626 0.7328 0.6494 0.1127 0.0216 0.1161 226 LEU B C 3518 O O . LEU B 110 ? 0.5097 0.6707 0.5832 0.0898 0.0020 0.1244 226 LEU B O 3519 C CB . LEU B 110 ? 0.5846 0.8186 0.7612 0.1496 0.0179 0.1397 226 LEU B CB 3520 C CG . LEU B 110 ? 0.5497 0.7930 0.7690 0.1854 0.0222 0.1492 226 LEU B CG 3521 C CD1 . LEU B 110 ? 0.4812 0.8036 0.7616 0.1933 0.0182 0.1692 226 LEU B CD1 3522 C CD2 . LEU B 110 ? 0.5462 0.7577 0.7656 0.2108 0.0521 0.1258 226 LEU B CD2 3523 N N . LYS B 111 ? 0.6205 0.8022 0.6936 0.1155 0.0442 0.1055 227 LYS B N 3524 C CA . LYS B 111 ? 0.6255 0.8057 0.6664 0.0932 0.0472 0.1093 227 LYS B CA 3525 C C . LYS B 111 ? 0.7140 0.9491 0.7810 0.0895 0.0685 0.1243 227 LYS B C 3526 O O . LYS B 111 ? 0.7628 1.0259 0.8353 0.1099 0.0929 0.1172 227 LYS B O 3527 C CB . LYS B 111 ? 0.6282 0.7732 0.6168 0.0993 0.0540 0.0876 227 LYS B CB 3528 C CG . LYS B 111 ? 0.5947 0.7400 0.5477 0.0828 0.0577 0.0969 227 LYS B CG 3529 C CD . LYS B 111 ? 0.5917 0.7157 0.4948 0.0923 0.0604 0.0738 227 LYS B CD 3530 C CE . LYS B 111 ? 0.6271 0.7560 0.4948 0.0812 0.0634 0.0899 227 LYS B CE 3531 N NZ . LYS B 111 ? 0.6419 0.7622 0.4613 0.0917 0.0611 0.0668 227 LYS B NZ 3532 N N . CYS B 112 ? 0.6370 0.8871 0.7232 0.0627 0.0615 0.1435 228 CYS B N 3533 C CA . CYS B 112 ? 0.5989 0.8979 0.7175 0.0534 0.0842 0.1625 228 CYS B CA 3534 C C . CYS B 112 ? 0.6227 0.9101 0.6946 0.0523 0.1054 0.1692 228 CYS B C 3535 O O . CYS B 112 ? 0.5636 0.8101 0.6001 0.0385 0.0946 0.1716 228 CYS B O 3536 C CB . CYS B 112 ? 0.6001 0.9161 0.7653 0.0216 0.0691 0.1772 228 CYS B CB 3537 S SG . CYS B 112 ? 0.7296 1.0999 0.9482 0.0022 0.0998 0.2039 228 CYS B SG 3538 N N . ASN B 113 ? 0.6227 0.9504 0.6936 0.0698 0.1364 0.1737 229 ASN B N 3539 C CA . ASN B 113 ? 0.6920 1.0196 0.7103 0.0757 0.1573 0.1822 229 ASN B CA 3540 C C . ASN B 113 ? 0.7402 1.1105 0.7854 0.0645 0.1879 0.2191 229 ASN B C 3541 O O . ASN B 113 ? 0.7856 1.1728 0.7895 0.0765 0.2127 0.2329 229 ASN B O 3542 C CB . ASN B 113 ? 0.6599 0.9968 0.6345 0.1083 0.1703 0.1534 229 ASN B CB 3543 C CG . ASN B 113 ? 0.7210 1.0105 0.6764 0.1170 0.1443 0.1179 229 ASN B CG 3544 O OD1 . ASN B 113 ? 0.6825 0.9330 0.5945 0.1116 0.1274 0.1079 229 ASN B OD1 3545 N ND2 . ASN B 113 ? 0.6970 0.9910 0.6903 0.1316 0.1430 0.1016 229 ASN B ND2 3546 N N . ASP B 114 ? 0.7322 1.1239 0.8485 0.0414 0.1866 0.2356 230 ASP B N 3547 C CA . ASP B 114 ? 0.7117 1.1366 0.8678 0.0231 0.2159 0.2729 230 ASP B CA 3548 C C . ASP B 114 ? 0.7161 1.0937 0.8434 0.0042 0.2137 0.2939 230 ASP B C 3549 O O . ASP B 114 ? 0.6492 0.9809 0.7831 -0.0167 0.1850 0.2843 230 ASP B O 3550 C CB . ASP B 114 ? 0.6894 1.1496 0.9381 -0.0017 0.2098 0.2786 230 ASP B CB 3551 C CG . ASP B 114 ? 0.6993 1.2167 0.9876 0.0207 0.2168 0.2662 230 ASP B CG 3552 O OD1 . ASP B 114 ? 0.7840 1.3152 1.0323 0.0542 0.2364 0.2560 230 ASP B OD1 3553 O OD2 . ASP B 114 ? 0.6232 1.1748 0.9845 0.0058 0.2025 0.2649 230 ASP B OD2 3554 N N . LYS B 115 ? 0.8003 1.1912 0.8950 0.0143 0.2459 0.3243 231 LYS B N 3555 C CA . LYS B 115 ? 0.9118 1.2587 0.9723 0.0058 0.2464 0.3488 231 LYS B CA 3556 C C . LYS B 115 ? 0.9114 1.2400 1.0415 -0.0312 0.2555 0.3790 231 LYS B C 3557 O O . LYS B 115 ? 1.0286 1.3101 1.1413 -0.0367 0.2544 0.3930 231 LYS B O 3558 C CB . LYS B 115 ? 1.0628 1.4259 1.0587 0.0344 0.2676 0.3632 231 LYS B CB 3559 C CG . LYS B 115 ? 1.0935 1.4856 1.0280 0.0684 0.2653 0.3306 231 LYS B CG 3560 C CD . LYS B 115 ? 1.1686 1.5588 1.0293 0.0922 0.2642 0.3278 231 LYS B CD 3561 C CE . LYS B 115 ? 1.1605 1.5741 0.9652 0.1212 0.2574 0.2837 231 LYS B CE 3562 N NZ . LYS B 115 ? 1.1835 1.5990 0.9200 0.1403 0.2478 0.2742 231 LYS B NZ 3563 N N . ASN B 116 ? 0.7230 1.0791 0.9329 -0.0542 0.2538 0.3718 232 ASN B N 3564 C CA . ASN B 116 ? 0.6954 1.0352 0.9833 -0.0950 0.2572 0.3872 232 ASN B CA 3565 C C . ASN B 116 ? 0.6654 1.0016 1.0012 -0.1186 0.2176 0.3473 232 ASN B C 3566 O O . ASN B 116 ? 0.6740 1.0238 1.0914 -0.1534 0.2178 0.3482 232 ASN B O 3567 C CB . ASN B 116 ? 0.7886 1.1657 1.1284 -0.1015 0.2891 0.4078 232 ASN B CB 3568 C CG . ASN B 116 ? 0.8549 1.3090 1.2228 -0.0863 0.3010 0.4014 232 ASN B CG 3569 O OD1 . ASN B 116 ? 0.7759 1.2526 1.1331 -0.0720 0.2814 0.3765 232 ASN B OD1 3570 N ND2 . ASN B 116 ? 0.8728 1.3624 1.2753 -0.0864 0.3314 0.4200 232 ASN B ND2 3571 N N . PHE B 117 ? 0.6150 0.9356 0.9000 -0.0995 0.1837 0.3124 233 PHE B N 3572 C CA . PHE B 117 ? 0.5328 0.8576 0.8486 -0.1130 0.1452 0.2778 233 PHE B CA 3573 C C . PHE B 117 ? 0.7189 0.9915 1.0474 -0.1448 0.1226 0.2643 233 PHE B C 3574 O O . PHE B 117 ? 0.5393 0.7530 0.8119 -0.1391 0.1152 0.2613 233 PHE B O 3575 C CB . PHE B 117 ? 0.5072 0.8250 0.7638 -0.0805 0.1220 0.2515 233 PHE B CB 3576 C CG . PHE B 117 ? 0.6233 0.9556 0.9069 -0.0861 0.0859 0.2246 233 PHE B CG 3577 C CD1 . PHE B 117 ? 0.5741 0.9713 0.9321 -0.0957 0.0834 0.2245 233 PHE B CD1 3578 C CD2 . PHE B 117 ? 0.7128 1.0003 0.9482 -0.0797 0.0552 0.2021 233 PHE B CD2 3579 C CE1 . PHE B 117 ? 0.6212 1.0409 1.0007 -0.0970 0.0479 0.2035 233 PHE B CE1 3580 C CE2 . PHE B 117 ? 0.6942 1.0000 0.9483 -0.0811 0.0235 0.1833 233 PHE B CE2 3581 C CZ . PHE B 117 ? 0.6346 1.0079 0.9585 -0.0886 0.0184 0.1845 233 PHE B CZ 3582 N N . ASN B 118 ? 0.6238 0.9222 1.0285 -0.1780 0.1114 0.2527 234 ASN B N 3583 C CA . ASN B 118 ? 0.6915 0.9450 1.1169 -0.2115 0.0922 0.2327 234 ASN B CA 3584 C C . ASN B 118 ? 0.6040 0.8378 0.9868 -0.2064 0.0485 0.1942 234 ASN B C 3585 O O . ASN B 118 ? 0.6042 0.7977 0.9889 -0.2291 0.0318 0.1721 234 ASN B O 3586 C CB . ASN B 118 ? 0.7921 1.0838 1.3212 -0.2534 0.0972 0.2294 234 ASN B CB 3587 C CG . ASN B 118 ? 0.9128 1.2871 1.4906 -0.2542 0.0749 0.2112 234 ASN B CG 3588 O OD1 . ASN B 118 ? 0.8236 1.2090 1.3782 -0.2474 0.0355 0.1805 234 ASN B OD1 3589 N ND2 . ASN B 118 ? 1.1764 1.6133 1.8252 -0.2612 0.1014 0.2334 234 ASN B ND2 3590 N N . GLY B 119 ? 0.4978 0.7592 0.8440 -0.1756 0.0330 0.1869 235 GLY B N 3591 C CA . GLY B 119 ? 0.5096 0.7568 0.8150 -0.1668 -0.0040 0.1586 235 GLY B CA 3592 C C . GLY B 119 ? 0.5949 0.9099 0.9419 -0.1676 -0.0309 0.1436 235 GLY B C 3593 O O . GLY B 119 ? 0.6740 0.9939 0.9843 -0.1451 -0.0543 0.1336 235 GLY B O 3594 N N . THR B 120 ? 0.4791 0.8496 0.9072 -0.1931 -0.0271 0.1447 236 THR B N 3595 C CA . THR B 120 ? 0.5311 0.9807 1.0094 -0.1938 -0.0541 0.1325 236 THR B CA 3596 C C . THR B 120 ? 0.5510 1.0687 1.0898 -0.1827 -0.0300 0.1561 236 THR B C 3597 O O . THR B 120 ? 0.6856 1.1941 1.2401 -0.1860 0.0088 0.1792 236 THR B O 3598 C CB . THR B 120 ? 0.4922 0.9667 1.0268 -0.2375 -0.0799 0.1027 236 THR B CB 3599 O OG1 . THR B 120 ? 0.5963 1.0789 1.2064 -0.2719 -0.0516 0.1119 236 THR B OG1 3600 C CG2 . THR B 120 ? 0.5639 0.9700 1.0394 -0.2486 -0.0988 0.0760 236 THR B CG2 3601 N N . GLY B 121 ? 0.4519 1.0417 1.0245 -0.1667 -0.0514 0.1527 237 GLY B N 3602 C CA . GLY B 121 ? 0.4464 1.1099 1.0851 -0.1539 -0.0298 0.1726 237 GLY B CA 3603 C C . GLY B 121 ? 0.4349 1.0888 1.0286 -0.1047 -0.0091 0.1895 237 GLY B C 3604 O O . GLY B 121 ? 0.4292 1.0251 0.9459 -0.0811 -0.0179 0.1840 237 GLY B O 3605 N N . PRO B 122 ? 0.4357 1.1474 1.0818 -0.0899 0.0206 0.2078 238 PRO B N 3606 C CA . PRO B 122 ? 0.5170 1.2275 1.1319 -0.0428 0.0441 0.2179 238 PRO B CA 3607 C C . PRO B 122 ? 0.5531 1.2009 1.1004 -0.0335 0.0802 0.2254 238 PRO B C 3608 O O . PRO B 122 ? 0.5547 1.1812 1.1015 -0.0612 0.0986 0.2353 238 PRO B O 3609 C CB . PRO B 122 ? 0.5705 1.3757 1.2778 -0.0364 0.0643 0.2324 238 PRO B CB 3610 C CG . PRO B 122 ? 0.4450 1.2768 1.2158 -0.0847 0.0736 0.2382 238 PRO B CG 3611 C CD . PRO B 122 ? 0.4597 1.2467 1.2072 -0.1187 0.0346 0.2169 238 PRO B CD 3612 N N . CYS B 123 ? 0.5341 1.1545 1.0274 0.0061 0.0901 0.2204 239 CYS B N 3613 C CA . CYS B 123 ? 0.5467 1.1205 0.9728 0.0198 0.1207 0.2222 239 CYS B CA 3614 C C . CYS B 123 ? 0.6242 1.2323 1.0545 0.0593 0.1520 0.2216 239 CYS B C 3615 O O . CYS B 123 ? 0.7101 1.3311 1.1558 0.0875 0.1418 0.2112 239 CYS B O 3616 C CB . CYS B 123 ? 0.4571 0.9505 0.8016 0.0253 0.0990 0.2052 239 CYS B CB 3617 S SG . CYS B 123 ? 0.8870 1.3308 1.1472 0.0399 0.1275 0.2032 239 CYS B SG 3618 N N . LYS B 124 ? 0.6382 1.2610 1.0542 0.0636 0.1922 0.2335 240 LYS B N 3619 C CA . LYS B 124 ? 0.6758 1.3405 1.0991 0.1001 0.2274 0.2302 240 LYS B CA 3620 C C . LYS B 124 ? 0.7289 1.3444 1.0674 0.1312 0.2365 0.2049 240 LYS B C 3621 O O . LYS B 124 ? 0.8054 1.4375 1.1477 0.1663 0.2531 0.1873 240 LYS B O 3622 C CB . LYS B 124 ? 0.7601 1.4842 1.2205 0.0909 0.2708 0.2578 240 LYS B CB 3623 C CG . LYS B 124 ? 0.5330 1.3115 1.0915 0.0563 0.2648 0.2794 240 LYS B CG 3624 C CD . LYS B 124 ? 0.6645 1.5165 1.2790 0.0559 0.3144 0.3066 240 LYS B CD 3625 C CE . LYS B 124 ? 0.7145 1.6135 1.3496 0.0976 0.3338 0.2935 240 LYS B CE 3626 N NZ . LYS B 124 ? 0.6242 1.5659 1.2951 0.0934 0.3695 0.3076 240 LYS B NZ 3627 N N . ASN B 125 ? 0.7270 1.2835 0.9982 0.1187 0.2230 0.1996 241 ASN B N 3628 C CA . ASN B 125 ? 0.6917 1.2051 0.8848 0.1428 0.2269 0.1718 241 ASN B CA 3629 C C . ASN B 125 ? 0.6224 1.0694 0.7887 0.1397 0.1881 0.1508 241 ASN B C 3630 O O . ASN B 125 ? 0.5938 0.9969 0.7203 0.1192 0.1690 0.1534 241 ASN B O 3631 C CB . ASN B 125 ? 0.8308 1.3389 0.9633 0.1351 0.2461 0.1851 241 ASN B CB 3632 C CG . ASN B 125 ? 1.0574 1.5367 1.1090 0.1591 0.2489 0.1530 241 ASN B CG 3633 O OD1 . ASN B 125 ? 1.0146 1.4727 1.0596 0.1798 0.2406 0.1173 241 ASN B OD1 3634 N ND2 . ASN B 125 ? 1.3679 1.8486 1.3610 0.1564 0.2611 0.1662 241 ASN B ND2 3635 N N . VAL B 126 ? 0.6005 1.0459 0.7987 0.1599 0.1790 0.1363 242 VAL B N 3636 C CA . VAL B 126 ? 0.6185 1.0072 0.8025 0.1589 0.1461 0.1237 242 VAL B CA 3637 C C . VAL B 126 ? 0.6601 1.0046 0.8046 0.1847 0.1529 0.0892 242 VAL B C 3638 O O . VAL B 126 ? 0.6821 1.0460 0.8429 0.2135 0.1774 0.0721 242 VAL B O 3639 C CB . VAL B 126 ? 0.6834 1.0966 0.9330 0.1643 0.1275 0.1367 242 VAL B CB 3640 C CG1 . VAL B 126 ? 0.7093 1.0664 0.9388 0.1626 0.0956 0.1314 242 VAL B CG1 3641 C CG2 . VAL B 126 ? 0.6414 1.1089 0.9407 0.1368 0.1201 0.1629 242 VAL B CG2 3642 N N . SER B 127 ? 0.6332 0.9193 0.7311 0.1736 0.1325 0.0762 243 SER B N 3643 C CA . SER B 127 ? 0.6977 0.9388 0.7666 0.1918 0.1356 0.0400 243 SER B CA 3644 C C . SER B 127 ? 0.7029 0.8915 0.7848 0.1904 0.1114 0.0396 243 SER B C 3645 O O . SER B 127 ? 0.5741 0.7650 0.6764 0.1768 0.0904 0.0667 243 SER B O 3646 C CB . SER B 127 ? 0.5813 0.8071 0.5832 0.1825 0.1373 0.0212 243 SER B CB 3647 O OG . SER B 127 ? 0.6089 0.8082 0.5865 0.1554 0.1130 0.0388 243 SER B OG 3648 N N . SER B 128 ? 0.7673 0.9106 0.8380 0.2042 0.1156 0.0078 244 SER B N 3649 C CA . SER B 128 ? 0.7361 0.8269 0.8239 0.2060 0.0999 0.0103 244 SER B CA 3650 C C . SER B 128 ? 0.6935 0.7320 0.7412 0.1930 0.0915 -0.0172 244 SER B C 3651 O O . SER B 128 ? 0.7333 0.7573 0.7688 0.2023 0.1053 -0.0571 244 SER B O 3652 C CB . SER B 128 ? 0.7491 0.8309 0.8899 0.2387 0.1173 0.0033 244 SER B CB 3653 O OG . SER B 128 ? 0.7781 0.8008 0.9333 0.2425 0.1090 0.0042 244 SER B OG 3654 N N . VAL B 129 ? 0.6677 0.6822 0.6975 0.1714 0.0687 0.0013 245 VAL B N 3655 C CA . VAL B 129 ? 0.7187 0.6893 0.7188 0.1577 0.0595 -0.0204 245 VAL B CA 3656 C C . VAL B 129 ? 0.7584 0.6845 0.7772 0.1536 0.0474 -0.0028 245 VAL B C 3657 O O . VAL B 129 ? 0.7528 0.6889 0.7922 0.1576 0.0398 0.0309 245 VAL B O 3658 C CB . VAL B 129 ? 0.7428 0.7291 0.6948 0.1351 0.0471 -0.0158 245 VAL B CB 3659 C CG1 . VAL B 129 ? 0.6602 0.6911 0.5875 0.1413 0.0620 -0.0285 245 VAL B CG1 3660 C CG2 . VAL B 129 ? 0.7516 0.7485 0.7051 0.1191 0.0315 0.0228 245 VAL B CG2 3661 N N . GLN B 130 ? 0.7518 0.6345 0.7640 0.1460 0.0460 -0.0255 246 GLN B N 3662 C CA . GLN B 130 ? 0.6929 0.5330 0.7208 0.1411 0.0391 -0.0067 246 GLN B CA 3663 C C . GLN B 130 ? 0.6846 0.5275 0.6761 0.1180 0.0196 0.0117 246 GLN B C 3664 O O . GLN B 130 ? 0.6356 0.4678 0.6299 0.1154 0.0111 0.0417 246 GLN B O 3665 C CB . GLN B 130 ? 0.7736 0.5649 0.8242 0.1415 0.0504 -0.0400 246 GLN B CB 3666 C CG . GLN B 130 ? 0.9072 0.6522 0.9835 0.1392 0.0510 -0.0152 246 GLN B CG 3667 C CD . GLN B 130 ? 1.0614 0.7578 1.1679 0.1323 0.0630 -0.0501 246 GLN B CD 3668 O OE1 . GLN B 130 ? 1.0856 0.7887 1.1783 0.1201 0.0604 -0.0951 246 GLN B OE1 3669 N NE2 . GLN B 130 ? 1.1700 0.8201 1.3206 0.1401 0.0765 -0.0287 246 GLN B NE2 3670 N N . CYS B 131 ? 0.5847 0.4444 0.5409 0.1039 0.0135 -0.0058 247 CYS B N 3671 C CA . CYS B 131 ? 0.5953 0.4542 0.5209 0.0843 -0.0019 0.0083 247 CYS B CA 3672 C C . CYS B 131 ? 0.6354 0.5329 0.5334 0.0771 -0.0062 0.0165 247 CYS B C 3673 O O . CYS B 131 ? 0.6780 0.6038 0.5704 0.0852 0.0035 0.0041 247 CYS B O 3674 C CB . CYS B 131 ? 0.5528 0.3872 0.4701 0.0735 -0.0050 -0.0163 247 CYS B CB 3675 S SG . CYS B 131 ? 0.6883 0.4713 0.6488 0.0764 0.0049 -0.0254 247 CYS B SG 3676 N N . THR B 132 ? 0.6614 0.5588 0.5438 0.0625 -0.0179 0.0375 248 THR B N 3677 C CA . THR B 132 ? 0.5730 0.4962 0.4355 0.0530 -0.0194 0.0478 248 THR B CA 3678 C C . THR B 132 ? 0.5861 0.5085 0.4206 0.0502 -0.0201 0.0333 248 THR B C 3679 O O . THR B 132 ? 0.5667 0.4718 0.4000 0.0524 -0.0223 0.0117 248 THR B O 3680 C CB . THR B 132 ? 0.6745 0.5913 0.5340 0.0373 -0.0309 0.0688 248 THR B CB 3681 O OG1 . THR B 132 ? 0.6537 0.5393 0.4969 0.0298 -0.0382 0.0648 248 THR B OG1 3682 C CG2 . THR B 132 ? 0.6145 0.5393 0.4978 0.0407 -0.0363 0.0818 248 THR B CG2 3683 N N . HIS B 133 ? 0.5296 0.4732 0.3457 0.0456 -0.0179 0.0469 249 HIS B N 3684 C CA . HIS B 133 ? 0.6070 0.5563 0.3950 0.0459 -0.0210 0.0419 249 HIS B CA 3685 C C . HIS B 133 ? 0.5349 0.4530 0.3210 0.0351 -0.0330 0.0455 249 HIS B C 3686 O O . HIS B 133 ? 0.5744 0.4686 0.3744 0.0267 -0.0371 0.0535 249 HIS B O 3687 C CB . HIS B 133 ? 0.5153 0.4932 0.2876 0.0467 -0.0117 0.0655 249 HIS B CB 3688 C CG . HIS B 133 ? 0.5819 0.5455 0.3689 0.0315 -0.0116 0.0930 249 HIS B CG 3689 N ND1 . HIS B 133 ? 0.6128 0.5782 0.4287 0.0232 -0.0099 0.1006 249 HIS B ND1 3690 C CD2 . HIS B 133 ? 0.6031 0.5513 0.3842 0.0231 -0.0132 0.1114 249 HIS B CD2 3691 C CE1 . HIS B 133 ? 0.5384 0.4906 0.3649 0.0073 -0.0116 0.1176 249 HIS B CE1 3692 N NE2 . HIS B 133 ? 0.5665 0.5035 0.3730 0.0074 -0.0117 0.1247 249 HIS B NE2 3693 N N . GLY B 134 ? 0.6080 0.5325 0.3762 0.0374 -0.0385 0.0394 250 GLY B N 3694 C CA . GLY B 134 ? 0.5748 0.4756 0.3449 0.0298 -0.0473 0.0425 250 GLY B CA 3695 C C . GLY B 134 ? 0.6326 0.5192 0.4008 0.0220 -0.0454 0.0695 250 GLY B C 3696 O O . GLY B 134 ? 0.6486 0.5501 0.4059 0.0256 -0.0402 0.0879 250 GLY B O 3697 N N . ILE B 135 ? 0.6046 0.4622 0.3838 0.0121 -0.0479 0.0718 251 ILE B N 3698 C CA . ILE B 135 ? 0.6058 0.4461 0.3868 0.0024 -0.0460 0.0881 251 ILE B CA 3699 C C . ILE B 135 ? 0.6390 0.4550 0.4182 0.0003 -0.0488 0.0860 251 ILE B C 3700 O O . ILE B 135 ? 0.5958 0.3988 0.3777 -0.0016 -0.0516 0.0755 251 ILE B O 3701 C CB . ILE B 135 ? 0.5963 0.4319 0.3890 -0.0075 -0.0472 0.0893 251 ILE B CB 3702 C CG1 . ILE B 135 ? 0.6188 0.4832 0.4214 -0.0035 -0.0427 0.0922 251 ILE B CG1 3703 C CG2 . ILE B 135 ? 0.5855 0.4045 0.3836 -0.0208 -0.0460 0.0972 251 ILE B CG2 3704 C CD1 . ILE B 135 ? 0.5558 0.4277 0.3758 -0.0105 -0.0470 0.0937 251 ILE B CD1 3705 N N . LYS B 136 ? 0.5510 0.3613 0.3284 0.0025 -0.0450 0.0990 252 LYS B N 3706 C CA . LYS B 136 ? 0.5415 0.3290 0.3219 0.0027 -0.0444 0.0979 252 LYS B CA 3707 C C . LYS B 136 ? 0.5610 0.3194 0.3451 -0.0100 -0.0406 0.0951 252 LYS B C 3708 O O . LYS B 136 ? 0.6168 0.3683 0.4087 -0.0182 -0.0359 0.1031 252 LYS B O 3709 C CB . LYS B 136 ? 0.5644 0.3581 0.3458 0.0147 -0.0409 0.1152 252 LYS B CB 3710 C CG . LYS B 136 ? 0.5468 0.3789 0.3210 0.0287 -0.0492 0.1125 252 LYS B CG 3711 C CD . LYS B 136 ? 0.5148 0.3600 0.2893 0.0448 -0.0480 0.1347 252 LYS B CD 3712 C CE . LYS B 136 ? 0.4836 0.3787 0.2493 0.0586 -0.0614 0.1268 252 LYS B CE 3713 N NZ . LYS B 136 ? 0.5321 0.4503 0.2975 0.0789 -0.0633 0.1525 252 LYS B NZ 3714 N N . PRO B 137 ? 0.5412 0.4061 0.5738 0.0079 0.0227 0.1204 253 PRO B N 3715 C CA . PRO B 137 ? 0.4765 0.3331 0.4572 0.0063 0.0082 0.1456 253 PRO B CA 3716 C C . PRO B 137 ? 0.6145 0.4515 0.5308 -0.0011 -0.0042 0.1313 253 PRO B C 3717 O O . PRO B 137 ? 0.5945 0.4143 0.4799 0.0032 0.0004 0.1348 253 PRO B O 3718 C CB . PRO B 137 ? 0.4939 0.3416 0.4928 0.0183 0.0266 0.1676 253 PRO B CB 3719 C CG . PRO B 137 ? 0.5084 0.3467 0.5485 0.0220 0.0487 0.1441 253 PRO B CG 3720 C CD . PRO B 137 ? 0.4454 0.3009 0.5224 0.0174 0.0470 0.1170 253 PRO B CD 3721 N N . VAL B 138 ? 0.4810 0.3210 0.3806 -0.0114 -0.0179 0.1165 254 VAL B N 3722 C CA . VAL B 138 ? 0.5403 0.3583 0.3882 -0.0177 -0.0289 0.1036 254 VAL B CA 3723 C C . VAL B 138 ? 0.6198 0.4314 0.4234 -0.0262 -0.0476 0.1151 254 VAL B C 3724 O O . VAL B 138 ? 0.5903 0.4180 0.3970 -0.0362 -0.0620 0.1229 254 VAL B O 3725 C CB . VAL B 138 ? 0.5472 0.3706 0.3970 -0.0248 -0.0345 0.0883 254 VAL B CB 3726 C CG1 . VAL B 138 ? 0.6233 0.4190 0.4277 -0.0283 -0.0431 0.0784 254 VAL B CG1 3727 C CG2 . VAL B 138 ? 0.5791 0.4199 0.4725 -0.0167 -0.0185 0.0723 254 VAL B CG2 3728 N N . VAL B 139 ? 0.7154 0.5075 0.4802 -0.0225 -0.0469 0.1131 255 VAL B N 3729 C CA . VAL B 139 ? 0.6689 0.4583 0.3888 -0.0302 -0.0647 0.1167 255 VAL B CA 3730 C C . VAL B 139 ? 0.7349 0.4988 0.4239 -0.0415 -0.0769 0.0957 255 VAL B C 3731 O O . VAL B 139 ? 0.7030 0.4414 0.3763 -0.0361 -0.0689 0.0804 255 VAL B O 3732 C CB . VAL B 139 ? 0.7133 0.5000 0.4042 -0.0196 -0.0563 0.1246 255 VAL B CB 3733 C CG1 . VAL B 139 ? 0.6628 0.4545 0.3038 -0.0276 -0.0766 0.1224 255 VAL B CG1 3734 C CG2 . VAL B 139 ? 0.6785 0.4870 0.4062 -0.0075 -0.0416 0.1518 255 VAL B CG2 3735 N N . SER B 140 ? 0.6779 0.4490 0.3643 -0.0570 -0.0953 0.0960 256 SER B N 3736 C CA . SER B 140 ? 0.6675 0.4116 0.3344 -0.0697 -0.1057 0.0795 256 SER B CA 3737 C C . SER B 140 ? 0.7003 0.4548 0.3591 -0.0884 -0.1274 0.0786 256 SER B C 3738 O O . SER B 140 ? 0.7177 0.5069 0.3912 -0.0911 -0.1357 0.0927 256 SER B O 3739 C CB . SER B 140 ? 0.6868 0.4264 0.3800 -0.0709 -0.0988 0.0794 256 SER B CB 3740 O OG . SER B 140 ? 0.7536 0.5253 0.4804 -0.0779 -0.1015 0.0926 256 SER B OG 3741 N N . THR B 141 ? 0.7542 0.4794 0.3953 -0.1010 -0.1364 0.0612 257 THR B N 3742 C CA . THR B 141 ? 0.8000 0.5326 0.4425 -0.1226 -0.1567 0.0548 257 THR B CA 3743 C C . THR B 141 ? 0.8583 0.5712 0.5250 -0.1375 -0.1567 0.0554 257 THR B C 3744 O O . THR B 141 ? 0.7770 0.4664 0.4479 -0.1290 -0.1430 0.0583 257 THR B O 3745 C CB . THR B 141 ? 0.7995 0.5159 0.4030 -0.1282 -0.1685 0.0296 257 THR B CB 3746 O OG1 . THR B 141 ? 0.8271 0.4966 0.4144 -0.1221 -0.1577 0.0123 257 THR B OG1 3747 C CG2 . THR B 141 ? 0.7745 0.5206 0.3499 -0.1145 -0.1696 0.0343 257 THR B CG2 3748 N N . GLN B 142 ? 0.7275 0.4539 0.4120 -0.1593 -0.1720 0.0544 258 GLN B N 3749 C CA . GLN B 142 ? 0.8041 0.5161 0.5169 -0.1763 -0.1705 0.0601 258 GLN B CA 3750 C C . GLN B 142 ? 0.7785 0.5100 0.5172 -0.1683 -0.1548 0.0836 258 GLN B C 3751 O O . GLN B 142 ? 0.8704 0.6344 0.6408 -0.1798 -0.1566 0.0965 258 GLN B O 3752 C CB . GLN B 142 ? 0.7682 0.4241 0.4680 -0.1801 -0.1671 0.0451 258 GLN B CB 3753 C CG . GLN B 142 ? 0.8180 0.4540 0.5004 -0.1934 -0.1826 0.0150 258 GLN B CG 3754 C CD . GLN B 142 ? 0.9766 0.5540 0.6617 -0.1997 -0.1779 0.0007 258 GLN B CD 3755 O OE1 . GLN B 142 ? 0.9032 0.4564 0.6021 -0.1935 -0.1640 0.0191 258 GLN B OE1 3756 N NE2 . GLN B 142 ? 1.0523 0.6089 0.7259 -0.2112 -0.1895 -0.0324 258 GLN B NE2 3757 N N . LEU B 143 ? 0.6872 0.4033 0.4140 -0.1486 -0.1395 0.0861 259 LEU B N 3758 C CA . LEU B 143 ? 0.7722 0.5100 0.5192 -0.1396 -0.1250 0.1019 259 LEU B CA 3759 C C . LEU B 143 ? 0.8046 0.5738 0.5594 -0.1214 -0.1166 0.1034 259 LEU B C 3760 O O . LEU B 143 ? 0.7512 0.5097 0.4876 -0.1082 -0.1146 0.0948 259 LEU B O 3761 C CB . LEU B 143 ? 0.7448 0.4510 0.4794 -0.1301 -0.1147 0.1034 259 LEU B CB 3762 C CG . LEU B 143 ? 0.7699 0.4358 0.5026 -0.1448 -0.1191 0.1053 259 LEU B CG 3763 C CD1 . LEU B 143 ? 0.7846 0.4218 0.5053 -0.1289 -0.1092 0.1105 259 LEU B CD1 3764 C CD2 . LEU B 143 ? 0.7838 0.4687 0.5457 -0.1662 -0.1201 0.1223 259 LEU B CD2 3765 N N . LEU B 144 ? 0.8325 0.6401 0.6185 -0.1210 -0.1096 0.1139 260 LEU B N 3766 C CA . LEU B 144 ? 0.7221 0.5573 0.5274 -0.1043 -0.0988 0.1138 260 LEU B CA 3767 C C . LEU B 144 ? 0.7049 0.5425 0.5130 -0.0907 -0.0833 0.1081 260 LEU B C 3768 O O . LEU B 144 ? 0.6141 0.4627 0.4268 -0.0951 -0.0790 0.1129 260 LEU B O 3769 C CB . LEU B 144 ? 0.6643 0.5432 0.5086 -0.1098 -0.0996 0.1239 260 LEU B CB 3770 C CG . LEU B 144 ? 0.7706 0.6606 0.6180 -0.1211 -0.1175 0.1301 260 LEU B CG 3771 C CD1 . LEU B 144 ? 0.7698 0.7072 0.6636 -0.1232 -0.1169 0.1412 260 LEU B CD1 3772 C CD2 . LEU B 144 ? 0.7136 0.5911 0.5378 -0.1093 -0.1224 0.1280 260 LEU B CD2 3773 N N . LEU B 145 ? 0.5830 0.4149 0.3897 -0.0741 -0.0748 0.0982 261 LEU B N 3774 C CA . LEU B 145 ? 0.5629 0.3982 0.3709 -0.0610 -0.0633 0.0875 261 LEU B CA 3775 C C . LEU B 145 ? 0.5586 0.4268 0.4048 -0.0496 -0.0495 0.0776 261 LEU B C 3776 O O . LEU B 145 ? 0.5128 0.3855 0.3803 -0.0460 -0.0460 0.0796 261 LEU B O 3777 C CB . LEU B 145 ? 0.6974 0.4967 0.4772 -0.0519 -0.0637 0.0786 261 LEU B CB 3778 C CG . LEU B 145 ? 0.7113 0.4721 0.4581 -0.0617 -0.0757 0.0826 261 LEU B CG 3779 C CD1 . LEU B 145 ? 0.6944 0.4231 0.4186 -0.0497 -0.0732 0.0707 261 LEU B CD1 3780 C CD2 . LEU B 145 ? 0.6094 0.3693 0.3539 -0.0704 -0.0787 0.0933 261 LEU B CD2 3781 N N . ASN B 146 ? 0.4966 0.3890 0.3527 -0.0434 -0.0415 0.0667 262 ASN B N 3782 C CA . ASN B 146 ? 0.5185 0.4433 0.4147 -0.0330 -0.0276 0.0483 262 ASN B CA 3783 C C . ASN B 146 ? 0.5488 0.4972 0.4873 -0.0359 -0.0219 0.0520 262 ASN B C 3784 O O . ASN B 146 ? 0.5424 0.5011 0.5211 -0.0271 -0.0100 0.0399 262 ASN B O 3785 C CB . ASN B 146 ? 0.4950 0.4033 0.3990 -0.0210 -0.0206 0.0341 262 ASN B CB 3786 C CG . ASN B 146 ? 0.5966 0.4896 0.4688 -0.0145 -0.0248 0.0269 262 ASN B CG 3787 O OD1 . ASN B 146 ? 0.5258 0.4289 0.3767 -0.0153 -0.0306 0.0299 262 ASN B OD1 3788 N ND2 . ASN B 146 ? 0.5350 0.4056 0.4063 -0.0067 -0.0207 0.0199 262 ASN B ND2 3789 N N . GLY B 147 ? 0.4923 0.4489 0.4275 -0.0481 -0.0298 0.0689 263 GLY B N 3790 C CA . GLY B 147 ? 0.4728 0.4550 0.4507 -0.0497 -0.0260 0.0747 263 GLY B CA 3791 C C . GLY B 147 ? 0.5184 0.5457 0.5260 -0.0494 -0.0146 0.0623 263 GLY B C 3792 O O . GLY B 147 ? 0.4658 0.5087 0.4649 -0.0444 -0.0074 0.0447 263 GLY B O 3793 N N . SER B 148 ? 0.4641 0.5172 0.5066 -0.0537 -0.0130 0.0708 264 SER B N 3794 C CA . SER B 148 ? 0.4852 0.5856 0.5572 -0.0540 -0.0004 0.0586 264 SER B CA 3795 C C . SER B 148 ? 0.4911 0.6055 0.5405 -0.0702 -0.0068 0.0768 264 SER B C 3796 O O . SER B 148 ? 0.5318 0.6235 0.5636 -0.0823 -0.0218 0.0980 264 SER B O 3797 C CB . SER B 148 ? 0.5583 0.6823 0.6946 -0.0465 0.0093 0.0547 264 SER B CB 3798 O OG . SER B 148 ? 0.6544 0.7747 0.7993 -0.0537 -0.0035 0.0814 264 SER B OG 3799 N N . LEU B 149 ? 0.4772 0.6316 0.5288 -0.0710 0.0054 0.0675 265 LEU B N 3800 C CA . LEU B 149 ? 0.4455 0.6171 0.4812 -0.0868 0.0044 0.0875 265 LEU B CA 3801 C C . LEU B 149 ? 0.5251 0.7421 0.6100 -0.0915 0.0137 0.0891 265 LEU B C 3802 O O . LEU B 149 ? 0.5714 0.8179 0.6997 -0.0793 0.0265 0.0680 265 LEU B O 3803 C CB . LEU B 149 ? 0.5640 0.7557 0.5639 -0.0843 0.0132 0.0836 265 LEU B CB 3804 C CG . LEU B 149 ? 0.5854 0.7371 0.5348 -0.0808 0.0033 0.0894 265 LEU B CG 3805 C CD1 . LEU B 149 ? 0.5224 0.7081 0.4419 -0.0751 0.0124 0.0886 265 LEU B CD1 3806 C CD2 . LEU B 149 ? 0.5553 0.6594 0.4825 -0.0964 -0.0119 0.1170 265 LEU B CD2 3807 N N . ALA B 150 ? 0.5843 0.8072 0.6685 -0.1096 0.0081 0.1127 266 ALA B N 3808 C CA . ALA B 150 ? 0.5590 0.8319 0.6900 -0.1157 0.0185 0.1158 266 ALA B CA 3809 C C . ALA B 150 ? 0.6114 0.9338 0.7405 -0.1104 0.0417 0.1018 266 ALA B C 3810 O O . ALA B 150 ? 0.5866 0.9057 0.6692 -0.1120 0.0451 0.1072 266 ALA B O 3811 C CB . ALA B 150 ? 0.6382 0.9067 0.7698 -0.1389 0.0074 0.1430 266 ALA B CB 3812 N N . GLU B 151 ? 0.6290 1.0003 0.8089 -0.1024 0.0578 0.0840 267 GLU B N 3813 C CA . GLU B 151 ? 0.5524 0.9776 0.7317 -0.0941 0.0812 0.0615 267 GLU B CA 3814 C C . GLU B 151 ? 0.5731 1.0386 0.7368 -0.1090 0.0939 0.0827 267 GLU B C 3815 O O . GLU B 151 ? 0.6297 1.1352 0.7666 -0.1037 0.1103 0.0729 267 GLU B O 3816 C CB . GLU B 151 ? 0.5820 1.0440 0.8263 -0.0788 0.0966 0.0289 267 GLU B CB 3817 C CG . GLU B 151 ? 0.6974 1.1219 0.9634 -0.0632 0.0897 0.0084 267 GLU B CG 3818 C CD . GLU B 151 ? 0.8307 1.2909 1.1611 -0.0465 0.1099 -0.0301 267 GLU B CD 3819 O OE1 . GLU B 151 ? 0.9004 1.4185 1.2453 -0.0451 0.1299 -0.0495 267 GLU B OE1 3820 O OE2 . GLU B 151 ? 0.8994 1.3303 1.2683 -0.0347 0.1074 -0.0410 267 GLU B OE2 3821 N N . GLU B 152 ? 0.4942 0.9534 0.6759 -0.1277 0.0867 0.1119 268 GLU B N 3822 C CA . GLU B 152 ? 0.5470 1.0415 0.7222 -0.1448 0.1007 0.1365 268 GLU B CA 3823 C C . GLU B 152 ? 0.5497 0.9965 0.6981 -0.1668 0.0846 0.1730 268 GLU B C 3824 O O . GLU B 152 ? 0.5449 0.9564 0.6404 -0.1667 0.0793 0.1847 268 GLU B O 3825 C CB . GLU B 152 ? 0.5039 1.0555 0.7447 -0.1491 0.1157 0.1328 268 GLU B CB 3826 C CG . GLU B 152 ? 0.5244 1.1317 0.7933 -0.1285 0.1388 0.0950 268 GLU B CG 3827 C CD . GLU B 152 ? 0.5465 1.2159 0.8800 -0.1323 0.1577 0.0924 268 GLU B CD 3828 O OE1 . GLU B 152 ? 0.5891 1.2591 0.9489 -0.1513 0.1508 0.1206 268 GLU B OE1 3829 O OE2 . GLU B 152 ? 0.5983 1.3182 0.9598 -0.1163 0.1798 0.0591 268 GLU B OE2 3830 N N . GLU B 153 ? 0.4920 0.9397 0.6813 -0.1854 0.0768 0.1890 269 GLU B N 3831 C CA . GLU B 153 ? 0.5151 0.9189 0.6899 -0.2091 0.0618 0.2175 269 GLU B CA 3832 C C . GLU B 153 ? 0.5948 0.9352 0.7533 -0.2072 0.0323 0.2113 269 GLU B C 3833 O O . GLU B 153 ? 0.5795 0.9149 0.7482 -0.1897 0.0235 0.1906 269 GLU B O 3834 C CB . GLU B 153 ? 0.7335 1.1708 0.9630 -0.2328 0.0653 0.2339 269 GLU B CB 3835 C CG . GLU B 153 ? 0.8226 1.3222 1.0670 -0.2391 0.0973 0.2465 269 GLU B CG 3836 C CD . GLU B 153 ? 0.8935 1.4158 1.1890 -0.2683 0.1007 0.2689 269 GLU B CD 3837 O OE1 . GLU B 153 ? 0.9380 1.4145 1.2362 -0.2891 0.0806 0.2827 269 GLU B OE1 3838 O OE2 . GLU B 153 ? 0.8980 1.4863 1.2348 -0.2710 0.1240 0.2700 269 GLU B OE2 3839 N N . ILE B 154 ? 0.5706 0.8631 0.7059 -0.2251 0.0192 0.2297 270 ILE B N 3840 C CA . ILE B 154 ? 0.6295 0.8656 0.7483 -0.2263 -0.0079 0.2230 270 ILE B CA 3841 C C . ILE B 154 ? 0.6909 0.9445 0.8574 -0.2357 -0.0253 0.2182 270 ILE B C 3842 O O . ILE B 154 ? 0.5278 0.8093 0.7340 -0.2571 -0.0243 0.2295 270 ILE B O 3843 C CB . ILE B 154 ? 0.6241 0.8062 0.7122 -0.2438 -0.0153 0.2404 270 ILE B CB 3844 C CG1 . ILE B 154 ? 0.5814 0.7451 0.6200 -0.2296 -0.0019 0.2481 270 ILE B CG1 3845 C CG2 . ILE B 154 ? 0.5696 0.7008 0.6455 -0.2475 -0.0428 0.2289 270 ILE B CG2 3846 C CD1 . ILE B 154 ? 0.8958 1.0048 0.9100 -0.2435 -0.0058 0.2691 270 ILE B CD1 3847 N N . ILE B 155 ? 0.6553 0.8959 0.8198 -0.2194 -0.0410 0.2031 271 ILE B N 3848 C CA . ILE B 155 ? 0.6343 0.8990 0.8416 -0.2223 -0.0588 0.2010 271 ILE B CA 3849 C C . ILE B 155 ? 0.5713 0.7961 0.7578 -0.2343 -0.0879 0.2002 271 ILE B C 3850 O O . ILE B 155 ? 0.7122 0.8883 0.8513 -0.2258 -0.0956 0.1936 271 ILE B O 3851 C CB . ILE B 155 ? 0.5909 0.8758 0.8187 -0.1943 -0.0558 0.1892 271 ILE B CB 3852 C CG1 . ILE B 155 ? 0.4768 0.7979 0.7216 -0.1806 -0.0263 0.1806 271 ILE B CG1 3853 C CG2 . ILE B 155 ? 0.5582 0.8788 0.8374 -0.1946 -0.0724 0.1937 271 ILE B CG2 3854 C CD1 . ILE B 155 ? 0.5382 0.9158 0.8281 -0.1942 -0.0107 0.1882 271 ILE B CD1 3855 N N . ILE B 156 ? 0.6124 0.8628 0.8365 -0.2543 -0.1037 0.2041 272 ILE B N 3856 C CA . ILE B 156 ? 0.6504 0.8767 0.8602 -0.2660 -0.1336 0.1975 272 ILE B CA 3857 C C . ILE B 156 ? 0.6430 0.9030 0.8741 -0.2496 -0.1521 0.1954 272 ILE B C 3858 O O . ILE B 156 ? 0.6678 0.9838 0.9543 -0.2491 -0.1522 0.2015 272 ILE B O 3859 C CB . ILE B 156 ? 0.7351 0.9714 0.9763 -0.3008 -0.1428 0.1997 272 ILE B CB 3860 C CG1 . ILE B 156 ? 0.6596 0.8694 0.8917 -0.3163 -0.1192 0.2108 272 ILE B CG1 3861 C CG2 . ILE B 156 ? 0.7661 0.9752 0.9870 -0.3136 -0.1739 0.1848 272 ILE B CG2 3862 C CD1 . ILE B 156 ? 0.7425 0.8841 0.9130 -0.3089 -0.1167 0.2079 272 ILE B CD1 3863 N N . ARG B 157 ? 0.5899 0.8183 0.7790 -0.2348 -0.1665 0.1894 273 ARG B N 3864 C CA . ARG B 157 ? 0.5387 0.7967 0.7425 -0.2154 -0.1822 0.1942 273 ARG B CA 3865 C C . ARG B 157 ? 0.6169 0.8740 0.7986 -0.2256 -0.2153 0.1881 273 ARG B C 3866 O O . ARG B 157 ? 0.6639 0.8741 0.7933 -0.2313 -0.2226 0.1762 273 ARG B O 3867 C CB . ARG B 157 ? 0.4985 0.7316 0.6781 -0.1851 -0.1678 0.1960 273 ARG B CB 3868 C CG . ARG B 157 ? 0.4905 0.7235 0.6849 -0.1753 -0.1363 0.1937 273 ARG B CG 3869 C CD . ARG B 157 ? 0.5119 0.7283 0.6990 -0.1466 -0.1231 0.1919 273 ARG B CD 3870 N NE . ARG B 157 ? 0.5795 0.7948 0.7728 -0.1393 -0.0952 0.1817 273 ARG B NE 3871 C CZ . ARG B 157 ? 0.5681 0.8260 0.8128 -0.1324 -0.0773 0.1792 273 ARG B CZ 3872 N NH1 . ARG B 157 ? 0.5142 0.8167 0.8134 -0.1310 -0.0840 0.1889 273 ARG B NH1 3873 N NH2 . ARG B 157 ? 0.4472 0.7072 0.6897 -0.1260 -0.0532 0.1653 273 ARG B NH2 3874 N N . SER B 158 ? 0.5519 0.8655 0.7751 -0.2268 -0.2356 0.1945 274 SER B N 3875 C CA . SER B 158 ? 0.5843 0.9132 0.7887 -0.2344 -0.2701 0.1872 274 SER B CA 3876 C C . SER B 158 ? 0.5802 0.9782 0.8298 -0.2195 -0.2885 0.2036 274 SER B C 3877 O O . SER B 158 ? 1.0624 1.5025 1.3741 -0.2160 -0.2779 0.2149 274 SER B O 3878 C CB . SER B 158 ? 0.6549 0.9800 0.8658 -0.2716 -0.2839 0.1674 274 SER B CB 3879 O OG . SER B 158 ? 0.7614 1.1101 0.9574 -0.2800 -0.3193 0.1536 274 SER B OG 3880 N N . GLU B 159 ? 0.7263 1.1394 0.9447 -0.2089 -0.3153 0.2059 275 GLU B N 3881 C CA . GLU B 159 ? 0.7265 1.2097 0.9842 -0.1930 -0.3375 0.2252 275 GLU B CA 3882 C C . GLU B 159 ? 0.7558 1.2965 1.0640 -0.2209 -0.3609 0.2130 275 GLU B C 3883 O O . GLU B 159 ? 0.6152 1.2202 0.9840 -0.2121 -0.3702 0.2285 275 GLU B O 3884 C CB . GLU B 159 ? 0.7160 1.2041 0.9186 -0.1742 -0.3602 0.2334 275 GLU B CB 3885 C CG . GLU B 159 ? 0.6526 1.2091 0.8899 -0.1491 -0.3791 0.2616 275 GLU B CG 3886 C CD . GLU B 159 ? 0.7018 1.2501 0.8752 -0.1240 -0.3873 0.2714 275 GLU B CD 3887 O OE1 . GLU B 159 ? 0.8045 1.3039 0.9119 -0.1283 -0.3834 0.2585 275 GLU B OE1 3888 O OE2 . GLU B 159 ? 0.7260 1.3169 0.9156 -0.0993 -0.3958 0.2923 275 GLU B OE2 3889 N N . ASN B 160 ? 0.8475 1.3611 1.1393 -0.2557 -0.3661 0.1843 276 ASN B N 3890 C CA . ASN B 160 ? 0.9220 1.4783 1.2601 -0.2843 -0.3835 0.1657 276 ASN B CA 3891 C C . ASN B 160 ? 0.8618 1.3659 1.1827 -0.3207 -0.3780 0.1378 276 ASN B C 3892 O O . ASN B 160 ? 0.8852 1.3624 1.1582 -0.3297 -0.3946 0.1123 276 ASN B O 3893 C CB . ASN B 160 ? 1.1005 1.7031 1.4242 -0.2721 -0.4159 0.1558 276 ASN B CB 3894 C CG . ASN B 160 ? 1.2784 1.9207 1.6460 -0.2985 -0.4328 0.1272 276 ASN B CG 3895 O OD1 . ASN B 160 ? 1.2059 1.8425 1.6213 -0.3254 -0.4177 0.1185 276 ASN B OD1 3896 N ND2 . ASN B 160 ? 1.5460 2.2314 1.8987 -0.2895 -0.4635 0.1124 276 ASN B ND2 3897 N N . LEU B 161 ? 0.7945 1.2844 1.1563 -0.3396 -0.3517 0.1428 277 LEU B N 3898 C CA . LEU B 161 ? 0.7634 1.1959 1.1138 -0.3706 -0.3391 0.1251 277 LEU B CA 3899 C C . LEU B 161 ? 0.8160 1.2528 1.1770 -0.3957 -0.3593 0.0907 277 LEU B C 3900 O O . LEU B 161 ? 0.8402 1.2209 1.1791 -0.4164 -0.3554 0.0702 277 LEU B O 3901 C CB . LEU B 161 ? 0.6984 1.1275 1.0948 -0.3816 -0.3039 0.1419 277 LEU B CB 3902 C CG . LEU B 161 ? 0.6960 1.0840 1.0586 -0.3553 -0.2689 0.1607 277 LEU B CG 3903 C CD1 . LEU B 161 ? 0.7131 1.1179 1.1238 -0.3652 -0.2366 0.1764 277 LEU B CD1 3904 C CD2 . LEU B 161 ? 0.6796 0.9869 0.9725 -0.3546 -0.2621 0.1505 277 LEU B CD2 3905 N N . THR B 162 ? 0.8626 1.3667 1.2621 -0.3926 -0.3802 0.0827 278 THR B N 3906 C CA . THR B 162 ? 0.9344 1.4548 1.3506 -0.4149 -0.4024 0.0448 278 THR B CA 3907 C C . THR B 162 ? 1.0185 1.5192 1.3650 -0.4062 -0.4273 0.0195 278 THR B C 3908 O O . THR B 162 ? 1.0689 1.5449 1.4080 -0.4277 -0.4365 -0.0182 278 THR B O 3909 C CB . THR B 162 ? 0.9312 1.5370 1.4099 -0.4116 -0.4197 0.0424 278 THR B CB 3910 O OG1 . THR B 162 ? 0.8699 1.4969 1.4115 -0.4159 -0.3931 0.0661 278 THR B OG1 3911 C CG2 . THR B 162 ? 1.0220 1.6480 1.5293 -0.4385 -0.4414 -0.0021 278 THR B CG2 3912 N N . ASN B 163 ? 1.0015 1.5131 1.2995 -0.3732 -0.4352 0.0400 279 ASN B N 3913 C CA . ASN B 163 ? 1.0282 1.5255 1.2537 -0.3592 -0.4542 0.0209 279 ASN B CA 3914 C C . ASN B 163 ? 1.0293 1.4422 1.2001 -0.3667 -0.4377 0.0119 279 ASN B C 3915 O O . ASN B 163 ? 0.8181 1.1953 0.9652 -0.3531 -0.4183 0.0404 279 ASN B O 3916 C CB . ASN B 163 ? 0.9943 1.5299 1.1898 -0.3192 -0.4627 0.0519 279 ASN B CB 3917 C CG . ASN B 163 ? 0.9768 1.5263 1.1097 -0.3028 -0.4865 0.0313 279 ASN B CG 3918 O OD1 . ASN B 163 ? 0.9763 1.4889 1.0702 -0.3170 -0.4912 -0.0049 279 ASN B OD1 3919 N ND2 . ASN B 163 ? 0.8970 1.4996 1.0217 -0.2708 -0.4997 0.0546 279 ASN B ND2 3920 N N . ASN B 164 ? 1.0717 1.4542 1.2270 -0.3871 -0.4457 -0.0302 280 ASN B N 3921 C CA . ASN B 164 ? 1.0313 1.3311 1.1412 -0.3946 -0.4297 -0.0429 280 ASN B CA 3922 C C . ASN B 164 ? 0.9759 1.2568 1.0041 -0.3659 -0.4334 -0.0407 280 ASN B C 3923 O O . ASN B 164 ? 0.9206 1.1342 0.9075 -0.3653 -0.4181 -0.0446 280 ASN B O 3924 C CB . ASN B 164 ? 1.0387 1.3112 1.1693 -0.4243 -0.4341 -0.0908 280 ASN B CB 3925 C CG . ASN B 164 ? 1.0802 1.4048 1.2001 -0.4214 -0.4655 -0.1323 280 ASN B CG 3926 O OD1 . ASN B 164 ? 1.1837 1.5725 1.3545 -0.4292 -0.4835 -0.1426 280 ASN B OD1 3927 N ND2 . ASN B 164 ? 1.0937 1.3937 1.1482 -0.4085 -0.4722 -0.1577 280 ASN B ND2 3928 N N . ALA B 165 ? 1.0095 1.3502 1.0162 -0.3403 -0.4519 -0.0327 281 ALA B N 3929 C CA . ALA B 165 ? 1.0105 1.3407 0.9431 -0.3098 -0.4514 -0.0245 281 ALA B CA 3930 C C . ALA B 165 ? 0.9890 1.3042 0.9139 -0.2871 -0.4311 0.0242 281 ALA B C 3931 O O . ALA B 165 ? 1.0599 1.3510 0.9291 -0.2634 -0.4217 0.0361 281 ALA B O 3932 C CB . ALA B 165 ? 0.9748 1.3741 0.8878 -0.2892 -0.4770 -0.0324 281 ALA B CB 3933 N N . LYS B 166 ? 0.8938 1.2256 0.8794 -0.2939 -0.4226 0.0502 282 LYS B N 3934 C CA . LYS B 166 ? 0.8521 1.1730 0.8447 -0.2706 -0.3996 0.0908 282 LYS B CA 3935 C C . LYS B 166 ? 0.8942 1.1359 0.8733 -0.2733 -0.3651 0.0886 282 LYS B C 3936 O O . LYS B 166 ? 0.8868 1.1001 0.8911 -0.2999 -0.3575 0.0733 282 LYS B O 3937 C CB . LYS B 166 ? 0.7817 1.1587 0.8489 -0.2697 -0.3990 0.1155 282 LYS B CB 3938 C CG . LYS B 166 ? 0.7679 1.2016 0.8426 -0.2367 -0.4085 0.1471 282 LYS B CG 3939 C CD . LYS B 166 ? 0.8432 1.3124 0.8819 -0.2258 -0.4330 0.1313 282 LYS B CD 3940 C CE . LYS B 166 ? 0.9035 1.4214 0.9509 -0.1887 -0.4364 0.1672 282 LYS B CE 3941 N NZ . LYS B 166 ? 1.0132 1.5702 1.0224 -0.1757 -0.4608 0.1543 282 LYS B NZ 3942 N N . THR B 167 ? 0.8615 1.0702 0.8037 -0.2452 -0.3442 0.1059 283 THR B N 3943 C CA . THR B 167 ? 0.8392 0.9802 0.7655 -0.2430 -0.3135 0.1049 283 THR B CA 3944 C C . THR B 167 ? 0.8186 0.9630 0.7985 -0.2464 -0.2910 0.1228 283 THR B C 3945 O O . THR B 167 ? 0.7907 0.9797 0.8097 -0.2335 -0.2880 0.1444 283 THR B O 3946 C CB . THR B 167 ? 0.7518 0.8648 0.6308 -0.2122 -0.2978 0.1170 283 THR B CB 3947 O OG1 . THR B 167 ? 0.7729 0.8860 0.5977 -0.2086 -0.3158 0.1007 283 THR B OG1 3948 C CG2 . THR B 167 ? 0.7670 0.8166 0.6314 -0.2095 -0.2692 0.1134 283 THR B CG2 3949 N N . ILE B 168 ? 0.7935 0.8925 0.7754 -0.2625 -0.2744 0.1143 284 ILE B N 3950 C CA . ILE B 168 ? 0.7229 0.8258 0.7463 -0.2657 -0.2506 0.1307 284 ILE B CA 3951 C C . ILE B 168 ? 0.7617 0.8249 0.7579 -0.2438 -0.2230 0.1396 284 ILE B C 3952 O O . ILE B 168 ? 0.8729 0.8834 0.8288 -0.2432 -0.2169 0.1291 284 ILE B O 3953 C CB . ILE B 168 ? 0.7364 0.8229 0.7863 -0.2986 -0.2483 0.1219 284 ILE B CB 3954 C CG1 . ILE B 168 ? 0.7026 0.8334 0.7893 -0.3236 -0.2762 0.1084 284 ILE B CG1 3955 C CG2 . ILE B 168 ? 0.6491 0.7443 0.7347 -0.3000 -0.2207 0.1422 284 ILE B CG2 3956 C CD1 . ILE B 168 ? 0.7879 0.8996 0.9085 -0.3594 -0.2742 0.0976 284 ILE B CD1 3957 N N . ILE B 169 ? 0.6949 0.7862 0.7174 -0.2255 -0.2070 0.1564 285 ILE B N 3958 C CA . ILE B 169 ? 0.6588 0.7224 0.6637 -0.2058 -0.1816 0.1606 285 ILE B CA 3959 C C . ILE B 169 ? 0.6080 0.6787 0.6395 -0.2141 -0.1602 0.1670 285 ILE B C 3960 O O . ILE B 169 ? 0.6091 0.7260 0.6868 -0.2144 -0.1530 0.1758 285 ILE B O 3961 C CB . ILE B 169 ? 0.6219 0.7085 0.6393 -0.1777 -0.1747 0.1706 285 ILE B CB 3962 C CG1 . ILE B 169 ? 0.6258 0.7060 0.6106 -0.1664 -0.1922 0.1705 285 ILE B CG1 3963 C CG2 . ILE B 169 ? 0.6143 0.6780 0.6231 -0.1607 -0.1485 0.1688 285 ILE B CG2 3964 C CD1 . ILE B 169 ? 0.6122 0.7074 0.6114 -0.1384 -0.1826 0.1855 285 ILE B CD1 3965 N N . VAL B 170 ? 0.6983 0.7261 0.7006 -0.2194 -0.1493 0.1639 286 VAL B N 3966 C CA . VAL B 170 ? 0.7211 0.7567 0.7385 -0.2245 -0.1276 0.1739 286 VAL B CA 3967 C C . VAL B 170 ? 0.6832 0.7225 0.6892 -0.1990 -0.1077 0.1731 286 VAL B C 3968 O O . VAL B 170 ? 0.7254 0.7289 0.6942 -0.1847 -0.1062 0.1654 286 VAL B O 3969 C CB . VAL B 170 ? 0.7851 0.7755 0.7809 -0.2417 -0.1252 0.1764 286 VAL B CB 3970 C CG1 . VAL B 170 ? 0.5924 0.5948 0.5961 -0.2423 -0.1009 0.1927 286 VAL B CG1 3971 C CG2 . VAL B 170 ? 0.7273 0.7150 0.7455 -0.2707 -0.1429 0.1725 286 VAL B CG2 3972 N N . HIS B 171 ? 0.6558 0.7415 0.6975 -0.1936 -0.0921 0.1776 287 HIS B N 3973 C CA . HIS B 171 ? 0.5426 0.6389 0.5805 -0.1713 -0.0729 0.1703 287 HIS B CA 3974 C C . HIS B 171 ? 0.6708 0.7756 0.6972 -0.1753 -0.0542 0.1762 287 HIS B C 3975 O O . HIS B 171 ? 0.7082 0.8548 0.7643 -0.1841 -0.0421 0.1841 287 HIS B O 3976 C CB . HIS B 171 ? 0.5088 0.6527 0.5960 -0.1587 -0.0660 0.1665 287 HIS B CB 3977 C CG . HIS B 171 ? 0.4377 0.5836 0.5264 -0.1346 -0.0509 0.1517 287 HIS B CG 3978 N ND1 . HIS B 171 ? 0.5394 0.7244 0.6773 -0.1209 -0.0385 0.1441 287 HIS B ND1 3979 C CD2 . HIS B 171 ? 0.4916 0.6060 0.5452 -0.1222 -0.0462 0.1405 287 HIS B CD2 3980 C CE1 . HIS B 171 ? 0.4749 0.6506 0.6091 -0.1028 -0.0263 0.1270 287 HIS B CE1 3981 N NE2 . HIS B 171 ? 0.4506 0.5859 0.5335 -0.1036 -0.0313 0.1248 287 HIS B NE2 3982 N N . LEU B 172 ? 0.6403 0.7092 0.6237 -0.1677 -0.0516 0.1741 288 LEU B N 3983 C CA . LEU B 172 ? 0.7353 0.8129 0.7003 -0.1679 -0.0358 0.1840 288 LEU B CA 3984 C C . LEU B 172 ? 0.6423 0.7722 0.6213 -0.1518 -0.0166 0.1720 288 LEU B C 3985 O O . LEU B 172 ? 0.5230 0.6641 0.5186 -0.1362 -0.0156 0.1518 288 LEU B O 3986 C CB . LEU B 172 ? 0.7283 0.7567 0.6468 -0.1600 -0.0403 0.1848 288 LEU B CB 3987 C CG . LEU B 172 ? 0.7117 0.6838 0.6147 -0.1738 -0.0573 0.1903 288 LEU B CG 3988 C CD1 . LEU B 172 ? 0.7674 0.6952 0.6299 -0.1613 -0.0587 0.1895 288 LEU B CD1 3989 C CD2 . LEU B 172 ? 0.6898 0.6615 0.6129 -0.2001 -0.0570 0.2104 288 LEU B CD2 3990 N N . ASN B 173 ? 0.6834 0.8461 0.6575 -0.1556 -0.0003 0.1841 289 ASN B N 3991 C CA . ASN B 173 ? 0.7033 0.9221 0.6858 -0.1408 0.0189 0.1684 289 ASN B CA 3992 C C . ASN B 173 ? 0.5994 0.8198 0.5361 -0.1266 0.0250 0.1668 289 ASN B C 3993 O O . ASN B 173 ? 0.6301 0.9020 0.5644 -0.1148 0.0404 0.1527 289 ASN B O 3994 C CB . ASN B 173 ? 0.7330 1.0064 0.7471 -0.1532 0.0357 0.1802 289 ASN B CB 3995 C CG . ASN B 173 ? 0.9158 1.1844 0.9090 -0.1704 0.0422 0.2147 289 ASN B CG 3996 O OD1 . ASN B 173 ? 0.8819 1.0977 0.8461 -0.1765 0.0307 0.2314 289 ASN B OD1 3997 N ND2 . ASN B 173 ? 1.1971 1.5209 1.2089 -0.1780 0.0629 0.2263 289 ASN B ND2 3998 N N . LYS B 174 ? 0.6506 0.8176 0.5523 -0.1269 0.0122 0.1793 290 LYS B N 3999 C CA . LYS B 174 ? 0.6424 0.8080 0.5016 -0.1117 0.0140 0.1816 290 LYS B CA 4000 C C . LYS B 174 ? 0.6796 0.7807 0.5161 -0.1067 -0.0032 0.1806 290 LYS B C 4001 O O . LYS B 174 ? 0.7767 0.8295 0.6102 -0.1208 -0.0129 0.1987 290 LYS B O 4002 C CB . LYS B 174 ? 0.8296 1.0138 0.6679 -0.1193 0.0256 0.2170 290 LYS B CB 4003 C CG . LYS B 174 ? 0.9525 1.1323 0.7450 -0.1029 0.0245 0.2295 290 LYS B CG 4004 C CD . LYS B 174 ? 1.1297 1.3501 0.9037 -0.1060 0.0414 0.2651 290 LYS B CD 4005 C CE . LYS B 174 ? 1.2534 1.4482 0.9868 -0.0947 0.0369 0.2958 290 LYS B CE 4006 N NZ . LYS B 174 ? 1.3180 1.4332 1.0597 -0.1094 0.0267 0.3204 290 LYS B NZ 4007 N N . SER B 175 ? 0.6797 0.7826 0.5041 -0.0871 -0.0061 0.1561 291 SER B N 4008 C CA . SER B 175 ? 0.6652 0.7133 0.4724 -0.0801 -0.0198 0.1506 291 SER B CA 4009 C C . SER B 175 ? 0.8208 0.8351 0.5942 -0.0789 -0.0247 0.1772 291 SER B C 4010 O O . SER B 175 ? 0.8889 0.9325 0.6437 -0.0734 -0.0173 0.1954 291 SER B O 4011 C CB . SER B 175 ? 0.6150 0.6797 0.4255 -0.0603 -0.0191 0.1176 291 SER B CB 4012 O OG . SER B 175 ? 0.8090 0.8880 0.6578 -0.0608 -0.0150 0.0949 291 SER B OG 4013 N N . VAL B 176 ? 0.7907 0.7447 0.5572 -0.0829 -0.0365 0.1798 292 VAL B N 4014 C CA . VAL B 176 ? 0.7915 0.7044 0.5333 -0.0785 -0.0413 0.2006 292 VAL B CA 4015 C C . VAL B 176 ? 0.7241 0.6051 0.4546 -0.0624 -0.0502 0.1793 292 VAL B C 4016 O O . VAL B 176 ? 0.7317 0.5793 0.4694 -0.0680 -0.0570 0.1638 292 VAL B O 4017 C CB . VAL B 176 ? 0.8536 0.7187 0.6037 -0.1010 -0.0452 0.2222 292 VAL B CB 4018 C CG1 . VAL B 176 ? 0.9061 0.7214 0.6383 -0.0946 -0.0488 0.2414 292 VAL B CG1 4019 C CG2 . VAL B 176 ? 0.7456 0.6441 0.5131 -0.1188 -0.0344 0.2450 292 VAL B CG2 4020 N N . GLU B 177 ? 0.6255 0.5227 0.3384 -0.0416 -0.0498 0.1787 293 GLU B N 4021 C CA . GLU B 177 ? 0.7548 0.6301 0.4620 -0.0250 -0.0564 0.1578 293 GLU B CA 4022 C C . GLU B 177 ? 0.7125 0.5193 0.4123 -0.0286 -0.0637 0.1658 293 GLU B C 4023 O O . GLU B 177 ? 0.7099 0.4871 0.4042 -0.0359 -0.0642 0.1929 293 GLU B O 4024 C CB . GLU B 177 ? 0.7757 0.6891 0.4684 -0.0018 -0.0567 0.1572 293 GLU B CB 4025 C CG . GLU B 177 ? 0.8842 0.8567 0.5906 0.0077 -0.0528 0.1240 293 GLU B CG 4026 C CD . GLU B 177 ? 0.9506 0.9576 0.6456 0.0312 -0.0577 0.1146 293 GLU B CD 4027 O OE1 . GLU B 177 ? 0.9799 0.9713 0.6535 0.0420 -0.0636 0.1412 293 GLU B OE1 4028 O OE2 . GLU B 177 ? 0.9779 1.0286 0.6899 0.0392 -0.0559 0.0803 293 GLU B OE2 4029 N N . ILE B 178 ? 0.7006 0.4829 0.4033 -0.0237 -0.0673 0.1412 294 ILE B N 4030 C CA . ILE B 178 ? 0.6978 0.4207 0.3919 -0.0227 -0.0729 0.1407 294 ILE B CA 4031 C C . ILE B 178 ? 0.6618 0.3838 0.3529 -0.0005 -0.0732 0.1212 294 ILE B C 4032 O O . ILE B 178 ? 0.6363 0.3791 0.3371 0.0040 -0.0699 0.0979 294 ILE B O 4033 C CB . ILE B 178 ? 0.7624 0.4531 0.4607 -0.0424 -0.0768 0.1305 294 ILE B CB 4034 C CG1 . ILE B 178 ? 0.8060 0.4395 0.4940 -0.0399 -0.0814 0.1221 294 ILE B CG1 4035 C CG2 . ILE B 178 ? 0.7907 0.5102 0.4993 -0.0430 -0.0745 0.1099 294 ILE B CG2 4036 C CD1 . ILE B 178 ? 0.7397 0.3443 0.4275 -0.0606 -0.0877 0.1122 294 ILE B CD1 4037 N N . ASN B 179 ? 0.7474 0.4467 0.4304 0.0141 -0.0759 0.1329 295 ASN B N 4038 C CA . ASN B 179 ? 0.8170 0.5235 0.5018 0.0372 -0.0765 0.1168 295 ASN B CA 4039 C C . ASN B 179 ? 0.7905 0.4408 0.4734 0.0410 -0.0771 0.1054 295 ASN B C 4040 O O . ASN B 179 ? 0.8402 0.4525 0.5205 0.0476 -0.0796 0.1204 295 ASN B O 4041 C CB . ASN B 179 ? 0.7863 0.5206 0.4656 0.0568 -0.0800 0.1375 295 ASN B CB 4042 C CG . ASN B 179 ? 0.8293 0.5951 0.5169 0.0804 -0.0823 0.1169 295 ASN B CG 4043 O OD1 . ASN B 179 ? 0.7511 0.5045 0.4501 0.0828 -0.0792 0.0899 295 ASN B OD1 4044 N ND2 . ASN B 179 ? 0.9635 0.7749 0.6461 0.0981 -0.0875 0.1300 295 ASN B ND2 4045 N N . CYS B 180 ? 0.8732 0.5196 0.5594 0.0377 -0.0731 0.0795 296 CYS B N 4046 C CA . CYS B 180 ? 0.8702 0.4703 0.5510 0.0403 -0.0714 0.0643 296 CYS B CA 4047 C C . CYS B 180 ? 0.7947 0.4054 0.4852 0.0635 -0.0668 0.0479 296 CYS B C 4048 O O . CYS B 180 ? 0.7344 0.3866 0.4383 0.0694 -0.0622 0.0349 296 CYS B O 4049 C CB . CYS B 180 ? 0.8308 0.4232 0.5049 0.0230 -0.0690 0.0496 296 CYS B CB 4050 S SG . CYS B 180 ? 0.9264 0.5202 0.5977 -0.0044 -0.0758 0.0660 296 CYS B SG 4051 N N . THR B 181 ? 0.7690 0.3421 0.4589 0.0764 -0.0671 0.0469 297 THR B N 4052 C CA . THR B 181 ? 0.8019 0.3877 0.5062 0.1004 -0.0633 0.0334 297 THR B CA 4053 C C . THR B 181 ? 0.8539 0.3930 0.5569 0.1080 -0.0571 0.0168 297 THR B C 4054 O O . THR B 181 ? 0.8123 0.3036 0.5102 0.1061 -0.0599 0.0238 297 THR B O 4055 C CB . THR B 181 ? 0.8225 0.4317 0.5364 0.1205 -0.0714 0.0541 297 THR B CB 4056 O OG1 . THR B 181 ? 0.8234 0.4859 0.5365 0.1154 -0.0757 0.0637 297 THR B OG1 4057 C CG2 . THR B 181 ? 0.8059 0.4340 0.5402 0.1462 -0.0695 0.0386 297 THR B CG2 4058 N N . ARG B 182 ? 0.8794 0.4331 0.5906 0.1161 -0.0468 -0.0068 298 ARG B N 4059 C CA . ARG B 182 ? 0.8669 0.3905 0.5827 0.1306 -0.0386 -0.0247 298 ARG B CA 4060 C C . ARG B 182 ? 0.8613 0.4157 0.6060 0.1570 -0.0393 -0.0246 298 ARG B C 4061 O O . ARG B 182 ? 0.8183 0.4154 0.5812 0.1625 -0.0327 -0.0384 298 ARG B O 4062 C CB . ARG B 182 ? 0.8156 0.3411 0.5219 0.1233 -0.0242 -0.0485 298 ARG B CB 4063 C CG . ARG B 182 ? 0.9401 0.4245 0.6367 0.1298 -0.0150 -0.0694 298 ARG B CG 4064 C CD . ARG B 182 ? 0.8122 0.2964 0.5367 0.1572 -0.0090 -0.0784 298 ARG B CD 4065 N NE . ARG B 182 ? 0.7735 0.3085 0.5233 0.1679 -0.0002 -0.0850 298 ARG B NE 4066 C CZ . ARG B 182 ? 0.9030 0.4505 0.6580 0.1713 0.0185 -0.1052 298 ARG B CZ 4067 N NH1 . ARG B 182 ? 0.9149 0.4318 0.6442 0.1664 0.0297 -0.1214 298 ARG B NH1 4068 N NH2 . ARG B 182 ? 0.7354 0.3293 0.5226 0.1789 0.0269 -0.1105 298 ARG B NH2 4069 N N . PRO B 183 ? 0.8618 0.3961 0.6151 0.1736 -0.0476 -0.0081 299 PRO B N 4070 C CA . PRO B 183 ? 0.7864 0.3575 0.5670 0.2010 -0.0530 -0.0025 299 PRO B CA 4071 C C . PRO B 183 ? 0.9500 0.5290 0.7548 0.2181 -0.0409 -0.0302 299 PRO B C 4072 O O . PRO B 183 ? 0.9838 0.5233 0.7820 0.2148 -0.0283 -0.0486 299 PRO B O 4073 C CB . PRO B 183 ? 0.8360 0.3691 0.6187 0.2142 -0.0620 0.0259 299 PRO B CB 4074 C CG . PRO B 183 ? 0.8710 0.3361 0.6392 0.1977 -0.0551 0.0185 299 PRO B CG 4075 C CD . PRO B 183 ? 0.8380 0.3131 0.5812 0.1683 -0.0515 0.0059 299 PRO B CD 4076 N N . SER B 184 ? 0.8975 0.5324 0.7313 0.2356 -0.0443 -0.0353 300 SER B N 4077 C CA . SER B 184 ? 0.9951 0.6441 0.8610 0.2541 -0.0330 -0.0592 300 SER B CA 4078 C C . SER B 184 ? 1.1654 0.7753 1.0437 0.2788 -0.0351 -0.0514 300 SER B C 4079 O O . SER B 184 ? 1.2675 0.8713 1.1463 0.2916 -0.0503 -0.0226 300 SER B O 4080 C CB . SER B 184 ? 0.9622 0.6862 0.8628 0.2656 -0.0391 -0.0678 300 SER B CB 4081 O OG . SER B 184 ? 1.0447 0.7868 0.9827 0.2809 -0.0263 -0.0923 300 SER B OG 4082 N N . ASN B 185 ? 1.3397 0.9239 1.2298 0.2864 -0.0181 -0.0758 301 ASN B N 4083 C CA . ASN B 185 ? 1.5083 1.0494 1.4159 0.3088 -0.0158 -0.0746 301 ASN B CA 4084 C C . ASN B 185 ? 1.5626 1.0437 1.4482 0.2966 -0.0225 -0.0533 301 ASN B C 4085 O O . ASN B 185 ? 1.5328 0.9839 1.3865 0.2692 -0.0176 -0.0608 301 ASN B O 4086 C CB . ASN B 185 ? 1.5499 1.1305 1.4995 0.3435 -0.0277 -0.0619 301 ASN B CB 4087 C CG . ASN B 185 ? 1.6505 1.2078 1.6378 0.3588 -0.0184 -0.0644 301 ASN B CG 4088 O OD1 . ASN B 185 ? 1.6906 1.1941 1.6719 0.3457 -0.0080 -0.0694 301 ASN B OD1 4089 N ND2 . ASN B 185 ? 1.6715 1.2734 1.7031 0.3868 -0.0226 -0.0634 301 ASN B ND2 4090 N N . GLY B 192 ? 1.6048 0.9729 1.5310 0.2706 0.0315 -0.1392 324 GLY B N 4091 C CA . GLY B 192 ? 1.6351 0.9551 1.5501 0.2503 0.0320 -0.1497 324 GLY B CA 4092 C C . GLY B 192 ? 1.5735 0.9011 1.4422 0.2240 0.0378 -0.1757 324 GLY B C 4093 O O . GLY B 192 ? 1.5958 0.9487 1.4598 0.2245 0.0532 -0.2042 324 GLY B O 4094 N N . ASP B 193 ? 1.4482 0.7567 1.2836 0.2015 0.0256 -0.1639 325 ASP B N 4095 C CA . ASP B 193 ? 1.3323 0.6496 1.1216 0.1775 0.0277 -0.1837 325 ASP B CA 4096 C C . ASP B 193 ? 1.1842 0.5364 0.9411 0.1716 0.0221 -0.1644 325 ASP B C 4097 O O . ASP B 193 ? 1.0590 0.4054 0.8064 0.1655 0.0075 -0.1365 325 ASP B O 4098 C CB . ASP B 193 ? 1.3898 0.6669 1.1677 0.1545 0.0183 -0.1882 325 ASP B CB 4099 C CG . ASP B 193 ? 1.4355 0.7240 1.1668 0.1323 0.0193 -0.2129 325 ASP B CG 4100 O OD1 . ASP B 193 ? 1.4521 0.7719 1.1657 0.1373 0.0324 -0.2333 325 ASP B OD1 4101 O OD2 . ASP B 193 ? 1.4993 0.7682 1.2129 0.1103 0.0071 -0.2106 325 ASP B OD2 4102 N N . ILE B 194 ? 1.1531 0.5419 0.8966 0.1732 0.0357 -0.1797 326 ILE B N 4103 C CA . ILE B 194 ? 1.1213 0.5452 0.8475 0.1701 0.0353 -0.1643 326 ILE B CA 4104 C C . ILE B 194 ? 0.9255 0.3423 0.6078 0.1464 0.0258 -0.1557 326 ILE B C 4105 O O . ILE B 194 ? 0.9064 0.3471 0.5777 0.1425 0.0250 -0.1418 326 ILE B O 4106 C CB . ILE B 194 ? 1.1464 0.6104 0.8796 0.1783 0.0565 -0.1807 326 ILE B CB 4107 C CG1 . ILE B 194 ? 1.1310 0.5896 0.8386 0.1706 0.0701 -0.2089 326 ILE B CG1 4108 C CG2 . ILE B 194 ? 1.0841 0.5667 0.8681 0.2023 0.0630 -0.1834 326 ILE B CG2 4109 C CD1 . ILE B 194 ? 1.1873 0.6587 0.8452 0.1542 0.0747 -0.2076 326 ILE B CD1 4110 N N . ARG B 195 ? 1.0065 0.3915 0.6690 0.1304 0.0186 -0.1657 327 ARG B N 4111 C CA . ARG B 195 ? 0.9852 0.3645 0.6086 0.1072 0.0075 -0.1591 327 ARG B CA 4112 C C . ARG B 195 ? 0.9607 0.3106 0.5915 0.0958 -0.0113 -0.1378 327 ARG B C 4113 O O . ARG B 195 ? 1.0126 0.3634 0.6205 0.0768 -0.0225 -0.1262 327 ARG B O 4114 C CB . ARG B 195 ? 0.9970 0.3720 0.5885 0.0942 0.0114 -0.1882 327 ARG B CB 4115 C CG . ARG B 195 ? 0.9978 0.4057 0.5708 0.1030 0.0314 -0.2041 327 ARG B CG 4116 C CD . ARG B 195 ? 1.0433 0.4535 0.5769 0.0907 0.0331 -0.2320 327 ARG B CD 4117 N NE . ARG B 195 ? 1.1423 0.5844 0.6594 0.1020 0.0556 -0.2470 327 ARG B NE 4118 C CZ . ARG B 195 ? 1.2000 0.6465 0.7418 0.1164 0.0711 -0.2707 327 ARG B CZ 4119 N NH1 . ARG B 195 ? 1.0949 0.5134 0.6804 0.1225 0.0661 -0.2815 327 ARG B NH1 4120 N NH2 . ARG B 195 ? 1.2642 0.7432 0.7888 0.1253 0.0932 -0.2821 327 ARG B NH2 4121 N N . LYS B 196 ? 1.0947 0.4218 0.7611 0.1072 -0.0137 -0.1301 328 LYS B N 4122 C CA . LYS B 196 ? 1.0359 0.3367 0.7139 0.0981 -0.0281 -0.1037 328 LYS B CA 4123 C C . LYS B 196 ? 0.9920 0.3171 0.6656 0.1021 -0.0361 -0.0713 328 LYS B C 4124 O O . LYS B 196 ? 1.0153 0.3717 0.7042 0.1224 -0.0318 -0.0643 328 LYS B O 4125 C CB . LYS B 196 ? 1.0842 0.3545 0.8050 0.1120 -0.0258 -0.0993 328 LYS B CB 4126 C CG . LYS B 196 ? 1.2080 0.4432 0.9423 0.0984 -0.0226 -0.1266 328 LYS B CG 4127 C CD . LYS B 196 ? 1.2939 0.4980 1.0801 0.1153 -0.0162 -0.1234 328 LYS B CD 4128 C CE . LYS B 196 ? 1.3192 0.4905 1.1258 0.1029 -0.0096 -0.1605 328 LYS B CE 4129 N NZ . LYS B 196 ? 1.3175 0.4573 1.1823 0.1215 0.0007 -0.1613 328 LYS B NZ 4130 N N . ALA B 197 ? 0.9298 0.2617 0.5941 0.0797 -0.0468 -0.0528 329 ALA B N 4131 C CA . ALA B 197 ? 0.9010 0.2748 0.5712 0.0789 -0.0530 -0.0223 329 ALA B CA 4132 C C . ALA B 197 ? 0.9561 0.3108 0.6314 0.0620 -0.0631 0.0035 329 ALA B C 4133 O O . ALA B 197 ? 0.9468 0.2543 0.6259 0.0503 -0.0651 -0.0032 329 ALA B O 4134 C CB . ALA B 197 ? 0.8583 0.2783 0.5129 0.0681 -0.0506 -0.0276 329 ALA B CB 4135 N N . TYR B 198 ? 0.9189 0.3121 0.5972 0.0600 -0.0679 0.0310 330 TYR B N 4136 C CA . TYR B 198 ? 0.9798 0.3628 0.6638 0.0442 -0.0744 0.0596 330 TYR B CA 4137 C C . TYR B 198 ? 0.9390 0.3781 0.6178 0.0366 -0.0773 0.0781 330 TYR B C 4138 O O . TYR B 198 ? 0.8850 0.3692 0.5635 0.0505 -0.0753 0.0749 330 TYR B O 4139 C CB . TYR B 198 ? 1.0360 0.3887 0.7400 0.0608 -0.0744 0.0857 330 TYR B CB 4140 C CG . TYR B 198 ? 1.0318 0.4214 0.7419 0.0910 -0.0743 0.0984 330 TYR B CG 4141 C CD1 . TYR B 198 ? 1.0627 0.5037 0.7693 0.0955 -0.0786 0.1262 330 TYR B CD1 4142 C CD2 . TYR B 198 ? 1.0530 0.4314 0.7737 0.1152 -0.0701 0.0801 330 TYR B CD2 4143 C CE1 . TYR B 198 ? 1.0606 0.5432 0.7728 0.1228 -0.0813 0.1338 330 TYR B CE1 4144 C CE2 . TYR B 198 ? 1.1213 0.5397 0.8522 0.1427 -0.0722 0.0899 330 TYR B CE2 4145 C CZ . TYR B 198 ? 1.0536 0.5252 0.7796 0.1461 -0.0791 0.1161 330 TYR B CZ 4146 O OH . TYR B 198 ? 1.0888 0.6079 0.8248 0.1731 -0.0838 0.1220 330 TYR B OH 4147 N N . CYS B 199 ? 0.9649 0.4024 0.6446 0.0140 -0.0811 0.0946 331 CYS B N 4148 C CA . CYS B 199 ? 0.8661 0.3559 0.5442 0.0065 -0.0821 0.1122 331 CYS B CA 4149 C C . CYS B 199 ? 0.9580 0.4466 0.6446 0.0039 -0.0822 0.1500 331 CYS B C 4150 O O . CYS B 199 ? 0.9934 0.4421 0.6904 -0.0128 -0.0825 0.1618 331 CYS B O 4151 C CB . CYS B 199 ? 0.8796 0.3822 0.5532 -0.0181 -0.0847 0.0998 331 CYS B CB 4152 S SG . CYS B 199 ? 0.8996 0.4204 0.5615 -0.0136 -0.0821 0.0667 331 CYS B SG 4153 N N . GLU B 200 ? 0.8583 0.3934 0.5419 0.0202 -0.0812 0.1685 332 GLU B N 4154 C CA . GLU B 200 ? 0.9437 0.4888 0.6296 0.0206 -0.0794 0.2093 332 GLU B CA 4155 C C . GLU B 200 ? 0.9442 0.5395 0.6264 0.0037 -0.0768 0.2188 332 GLU B C 4156 O O . GLU B 200 ? 0.9060 0.5509 0.5831 0.0066 -0.0768 0.1994 332 GLU B O 4157 C CB . GLU B 200 ? 0.9156 0.4863 0.5972 0.0519 -0.0811 0.2269 332 GLU B CB 4158 C CG . GLU B 200 ? 1.0822 0.5999 0.7750 0.0704 -0.0823 0.2282 332 GLU B CG 4159 C CD . GLU B 200 ? 1.1969 0.7478 0.8881 0.1037 -0.0864 0.2474 332 GLU B CD 4160 O OE1 . GLU B 200 ? 1.1997 0.8167 0.8805 0.1142 -0.0902 0.2362 332 GLU B OE1 4161 O OE2 . GLU B 200 ? 1.1858 0.7028 0.8933 0.1187 -0.0856 0.2716 332 GLU B OE2 4162 N N . ILE B 201 ? 0.9279 0.5092 0.6184 -0.0142 -0.0727 0.2479 333 ILE B N 4163 C CA . ILE B 201 ? 0.9094 0.5376 0.6008 -0.0310 -0.0678 0.2594 333 ILE B CA 4164 C C . ILE B 201 ? 0.9099 0.5552 0.6081 -0.0280 -0.0567 0.3021 333 ILE B C 4165 O O . ILE B 201 ? 1.0484 0.6509 0.7656 -0.0284 -0.0502 0.3204 333 ILE B O 4166 C CB . ILE B 201 ? 1.0279 0.6354 0.7351 -0.0617 -0.0693 0.2443 333 ILE B CB 4167 C CG1 . ILE B 201 ? 1.0961 0.7010 0.7989 -0.0613 -0.0763 0.2027 333 ILE B CG1 4168 C CG2 . ILE B 201 ? 0.9365 0.5935 0.6513 -0.0781 -0.0627 0.2589 333 ILE B CG2 4169 C CD1 . ILE B 201 ? 1.1927 0.7360 0.8960 -0.0622 -0.0818 0.1837 333 ILE B CD1 4170 N N . ASN B 202 ? 0.8815 0.5918 0.5658 -0.0230 -0.0515 0.3143 334 ASN B N 4171 C CA . ASN B 202 ? 0.8829 0.6151 0.5659 -0.0195 -0.0375 0.3491 334 ASN B CA 4172 C C . ASN B 202 ? 0.9502 0.6522 0.6618 -0.0479 -0.0271 0.3616 334 ASN B C 4173 O O . ASN B 202 ? 0.8925 0.6204 0.6145 -0.0693 -0.0254 0.3527 334 ASN B O 4174 C CB . ASN B 202 ? 0.9488 0.7617 0.6106 -0.0124 -0.0344 0.3480 334 ASN B CB 4175 C CG . ASN B 202 ? 1.1243 0.9639 0.7742 -0.0041 -0.0240 0.3800 334 ASN B CG 4176 O OD1 . ASN B 202 ? 1.0545 0.8618 0.7187 -0.0167 -0.0131 0.4063 334 ASN B OD1 4177 N ND2 . ASN B 202 ? 1.3955 1.2976 1.0218 0.0159 -0.0276 0.3762 334 ASN B ND2 4178 N N . GLY B 203 ? 1.0318 0.6794 0.7592 -0.0482 -0.0205 0.3811 335 GLY B N 4179 C CA . GLY B 203 ? 1.1707 0.7829 0.9321 -0.0764 -0.0115 0.3894 335 GLY B CA 4180 C C . GLY B 203 ? 1.2383 0.8947 1.0044 -0.0919 0.0018 0.4102 335 GLY B C 4181 O O . GLY B 203 ? 1.2393 0.8903 1.0353 -0.1200 0.0051 0.4058 335 GLY B O 4182 N N . THR B 204 ? 1.1857 0.8900 0.9235 -0.0741 0.0081 0.4312 336 THR B N 4183 C CA . THR B 204 ? 1.1199 0.8738 0.8603 -0.0860 0.0226 0.4515 336 THR B CA 4184 C C . THR B 204 ? 1.0867 0.8903 0.8347 -0.1014 0.0206 0.4279 336 THR B C 4185 O O . THR B 204 ? 1.1188 0.9362 0.8931 -0.1250 0.0304 0.4349 336 THR B O 4186 C CB . THR B 204 ? 1.2397 1.0441 0.9457 -0.0619 0.0271 0.4739 336 THR B CB 4187 O OG1 . THR B 204 ? 1.2838 1.0437 0.9851 -0.0475 0.0265 0.4991 336 THR B OG1 4188 C CG2 . THR B 204 ? 1.2840 1.1405 0.9941 -0.0741 0.0449 0.4959 336 THR B CG2 4189 N N . LYS B 205 ? 1.1528 0.9831 0.8811 -0.0885 0.0078 0.4000 337 LYS B N 4190 C CA . LYS B 205 ? 1.1286 1.0065 0.8629 -0.1007 0.0052 0.3771 337 LYS B CA 4191 C C . LYS B 205 ? 1.0945 0.9352 0.8595 -0.1276 -0.0041 0.3592 337 LYS B C 4192 O O . LYS B 205 ? 1.0431 0.9153 0.8278 -0.1472 -0.0011 0.3543 337 LYS B O 4193 C CB . LYS B 205 ? 1.0458 0.9627 0.7521 -0.0793 -0.0047 0.3516 337 LYS B CB 4194 C CG . LYS B 205 ? 1.1671 1.1481 0.8463 -0.0575 0.0033 0.3594 337 LYS B CG 4195 C CD . LYS B 205 ? 1.1337 1.1590 0.7940 -0.0391 -0.0065 0.3268 337 LYS B CD 4196 C CE . LYS B 205 ? 1.2140 1.3121 0.8512 -0.0198 0.0002 0.3265 337 LYS B CE 4197 N NZ . LYS B 205 ? 1.1996 1.3451 0.8252 -0.0023 -0.0089 0.2878 337 LYS B NZ 4198 N N . TRP B 206 ? 1.0802 0.8573 0.8496 -0.1282 -0.0160 0.3479 338 TRP B N 4199 C CA . TRP B 206 ? 1.0281 0.7701 0.8209 -0.1528 -0.0282 0.3259 338 TRP B CA 4200 C C . TRP B 206 ? 1.1159 0.8453 0.9478 -0.1805 -0.0201 0.3404 338 TRP B C 4201 O O . TRP B 206 ? 1.0940 0.8429 0.9483 -0.2034 -0.0246 0.3299 338 TRP B O 4202 C CB . TRP B 206 ? 1.0040 0.6838 0.7889 -0.1455 -0.0419 0.3060 338 TRP B CB 4203 C CG . TRP B 206 ? 0.9757 0.6180 0.7812 -0.1713 -0.0544 0.2830 338 TRP B CG 4204 C CD1 . TRP B 206 ? 1.0049 0.5974 0.8378 -0.1876 -0.0550 0.2818 338 TRP B CD1 4205 C CD2 . TRP B 206 ? 0.9482 0.6080 0.7521 -0.1806 -0.0671 0.2532 338 TRP B CD2 4206 N NE1 . TRP B 206 ? 1.0621 0.6395 0.9047 -0.2099 -0.0709 0.2530 338 TRP B NE1 4207 C CE2 . TRP B 206 ? 1.0042 0.6252 0.8285 -0.2037 -0.0780 0.2364 338 TRP B CE2 4208 C CE3 . TRP B 206 ? 0.9436 0.6534 0.7367 -0.1682 -0.0686 0.2354 338 TRP B CE3 4209 C CZ2 . TRP B 206 ? 0.9476 0.5842 0.7755 -0.2129 -0.0919 0.2060 338 TRP B CZ2 4210 C CZ3 . TRP B 206 ? 0.8861 0.6043 0.6878 -0.1770 -0.0800 0.2089 338 TRP B CZ3 4211 C CH2 . TRP B 206 ? 0.8583 0.5430 0.6740 -0.1983 -0.0923 0.1962 338 TRP B CH2 4212 N N . ASN B 207 ? 1.0925 0.7897 0.9356 -0.1782 -0.0078 0.3646 339 ASN B N 4213 C CA . ASN B 207 ? 1.1057 0.7859 0.9902 -0.2046 0.0025 0.3784 339 ASN B CA 4214 C C . ASN B 207 ? 1.0434 0.7861 0.9415 -0.2174 0.0158 0.3940 339 ASN B C 4215 O O . ASN B 207 ? 1.0336 0.7779 0.9718 -0.2449 0.0188 0.3937 339 ASN B O 4216 C CB . ASN B 207 ? 1.1954 0.8287 1.0858 -0.1964 0.0170 0.4049 339 ASN B CB 4217 C CG . ASN B 207 ? 1.2659 0.8333 1.1557 -0.1874 0.0064 0.3874 339 ASN B CG 4218 O OD1 . ASN B 207 ? 1.2809 0.8252 1.1816 -0.2002 -0.0103 0.3537 339 ASN B OD1 4219 N ND2 . ASN B 207 ? 1.3598 0.8980 1.2348 -0.1650 0.0155 0.4093 339 ASN B ND2 4220 N N . LYS B 208 ? 1.0028 0.8003 0.8695 -0.1973 0.0236 0.4046 340 LYS B N 4221 C CA . LYS B 208 ? 1.0046 0.8686 0.8811 -0.2060 0.0379 0.4161 340 LYS B CA 4222 C C . LYS B 208 ? 0.9421 0.8378 0.8373 -0.2226 0.0264 0.3896 340 LYS B C 4223 O O . LYS B 208 ? 0.8511 0.7710 0.7838 -0.2458 0.0325 0.3925 340 LYS B O 4224 C CB . LYS B 208 ? 1.0283 0.9456 0.8637 -0.1787 0.0481 0.4280 340 LYS B CB 4225 C CG . LYS B 208 ? 1.1189 1.1111 0.9617 -0.1850 0.0649 0.4360 340 LYS B CG 4226 C CD . LYS B 208 ? 1.2695 1.3178 1.0694 -0.1571 0.0728 0.4405 340 LYS B CD 4227 C CE . LYS B 208 ? 1.4066 1.5330 1.2138 -0.1624 0.0915 0.4440 340 LYS B CE 4228 N NZ . LYS B 208 ? 1.5163 1.7027 1.2813 -0.1355 0.0983 0.4430 340 LYS B NZ 4229 N N . VAL B 209 ? 0.8108 0.7068 0.6815 -0.2102 0.0102 0.3644 341 VAL B N 4230 C CA . VAL B 209 ? 0.8775 0.7983 0.7622 -0.2229 -0.0017 0.3402 341 VAL B CA 4231 C C . VAL B 209 ? 0.8912 0.7743 0.8122 -0.2502 -0.0160 0.3280 341 VAL B C 4232 O O . VAL B 209 ? 0.8920 0.8094 0.8467 -0.2660 -0.0183 0.3175 341 VAL B O 4233 C CB . VAL B 209 ? 0.9180 0.8373 0.7724 -0.1965 -0.0144 0.3066 341 VAL B CB 4234 C CG1 . VAL B 209 ? 0.8455 0.7789 0.7215 -0.2015 -0.0268 0.2739 341 VAL B CG1 4235 C CG2 . VAL B 209 ? 0.9452 0.9168 0.7722 -0.1719 -0.0020 0.3087 341 VAL B CG2 4236 N N . LEU B 210 ? 0.8278 0.6457 0.7449 -0.2517 -0.0253 0.3235 342 LEU B N 4237 C CA . LEU B 210 ? 0.8771 0.6592 0.8266 -0.2779 -0.0398 0.3068 342 LEU B CA 4238 C C . LEU B 210 ? 0.9249 0.7286 0.9242 -0.3028 -0.0275 0.3217 342 LEU B C 4239 O O . LEU B 210 ? 0.9809 0.7962 1.0155 -0.3269 -0.0396 0.3056 342 LEU B O 4240 C CB . LEU B 210 ? 0.9748 0.6851 0.9142 -0.2727 -0.0465 0.2981 342 LEU B CB 4241 C CG . LEU B 210 ? 1.0318 0.7044 0.9959 -0.2971 -0.0655 0.2691 342 LEU B CG 4242 C CD1 . LEU B 210 ? 0.8830 0.5716 0.8259 -0.2938 -0.0871 0.2367 342 LEU B CD1 4243 C CD2 . LEU B 210 ? 1.1270 0.7311 1.0903 -0.2920 -0.0650 0.2621 342 LEU B CD2 4244 N N . LYS B 211 ? 0.9727 0.7846 0.9748 -0.2962 -0.0035 0.3524 343 LYS B N 4245 C CA . LYS B 211 ? 0.9112 0.7455 0.9590 -0.3181 0.0132 0.3698 343 LYS B CA 4246 C C . LYS B 211 ? 0.8929 0.8009 0.9597 -0.3264 0.0158 0.3668 343 LYS B C 4247 O O . LYS B 211 ? 0.9763 0.9048 1.0916 -0.3511 0.0158 0.3625 343 LYS B O 4248 C CB . LYS B 211 ? 0.9519 0.7807 0.9892 -0.3060 0.0400 0.4064 343 LYS B CB 4249 C CG . LYS B 211 ? 0.9893 0.8377 1.0719 -0.3287 0.0608 0.4269 343 LYS B CG 4250 C CD . LYS B 211 ? 1.2310 1.0707 1.2960 -0.3159 0.0866 0.4658 343 LYS B CD 4251 C CE . LYS B 211 ? 1.2913 1.1488 1.4015 -0.3401 0.1091 0.4872 343 LYS B CE 4252 N NZ . LYS B 211 ? 1.3400 1.1894 1.4303 -0.3285 0.1336 0.5286 343 LYS B NZ 4253 N N . GLN B 212 ? 0.8669 0.8167 0.8993 -0.3052 0.0185 0.3668 344 GLN B N 4254 C CA . GLN B 212 ? 0.9292 0.9500 0.9809 -0.3095 0.0226 0.3608 344 GLN B CA 4255 C C . GLN B 212 ? 0.9763 0.9988 1.0552 -0.3254 -0.0024 0.3331 344 GLN B C 4256 O O . GLN B 212 ? 0.9326 1.0071 1.0510 -0.3351 -0.0014 0.3259 344 GLN B O 4257 C CB . GLN B 212 ? 0.8593 0.9207 0.8689 -0.2825 0.0312 0.3609 344 GLN B CB 4258 C CG . GLN B 212 ? 0.8754 0.9544 0.8567 -0.2649 0.0547 0.3865 344 GLN B CG 4259 C CD . GLN B 212 ? 0.9781 1.0995 0.9162 -0.2377 0.0596 0.3787 344 GLN B CD 4260 O OE1 . GLN B 212 ? 1.0468 1.1667 0.9745 -0.2253 0.0446 0.3471 344 GLN B OE1 4261 N NE2 . GLN B 212 ? 1.0162 1.1743 0.9309 -0.2224 0.0796 0.3965 344 GLN B NE2 4262 N N . VAL B 213 ? 0.9313 0.8999 0.9875 -0.3198 -0.0247 0.3110 345 VAL B N 4263 C CA . VAL B 213 ? 0.8031 0.7713 0.8761 -0.3268 -0.0502 0.2791 345 VAL B CA 4264 C C . VAL B 213 ? 0.7786 0.7396 0.9033 -0.3629 -0.0585 0.2790 345 VAL B C 4265 O O . VAL B 213 ? 0.7521 0.7517 0.9125 -0.3745 -0.0721 0.2633 345 VAL B O 4266 C CB . VAL B 213 ? 0.7612 0.6772 0.7906 -0.3098 -0.0691 0.2555 345 VAL B CB 4267 C CG1 . VAL B 213 ? 0.7168 0.6335 0.7601 -0.3194 -0.0956 0.2264 345 VAL B CG1 4268 C CG2 . VAL B 213 ? 0.6897 0.6204 0.6788 -0.2761 -0.0628 0.2503 345 VAL B CG2 4269 N N . THR B 214 ? 0.8064 0.7211 0.9377 -0.3734 -0.0490 0.2914 346 THR B N 4270 C CA . THR B 214 ? 0.9616 0.8668 1.1454 -0.4014 -0.0520 0.2833 346 THR B CA 4271 C C . THR B 214 ? 0.9727 0.9424 1.2063 -0.4149 -0.0369 0.2960 346 THR B C 4272 O O . THR B 214 ? 0.9914 0.9837 1.2731 -0.4369 -0.0490 0.2789 346 THR B O 4273 C CB . THR B 214 ? 1.0944 0.9377 1.2809 -0.4043 -0.0364 0.2958 346 THR B CB 4274 O OG1 . THR B 214 ? 1.1904 1.0463 1.3630 -0.3893 -0.0064 0.3327 346 THR B OG1 4275 C CG2 . THR B 214 ? 1.0793 0.8583 1.2251 -0.3911 -0.0509 0.2792 346 THR B CG2 4276 N N . GLU B 215 ? 1.0243 1.0275 1.2458 -0.4005 -0.0104 0.3236 347 GLU B N 4277 C CA . GLU B 215 ? 1.0690 1.1345 1.3345 -0.4106 0.0088 0.3364 347 GLU B CA 4278 C C . GLU B 215 ? 0.9743 1.1043 1.2633 -0.4099 -0.0047 0.3189 347 GLU B C 4279 O O . GLU B 215 ? 0.9542 1.1277 1.2975 -0.4260 -0.0033 0.3142 347 GLU B O 4280 C CB . GLU B 215 ? 1.1427 1.2290 1.3822 -0.3934 0.0415 0.3684 347 GLU B CB 4281 C CG . GLU B 215 ? 1.2418 1.2759 1.4717 -0.3950 0.0597 0.3930 347 GLU B CG 4282 C CD . GLU B 215 ? 1.2865 1.3566 1.5009 -0.3830 0.0927 0.4262 347 GLU B CD 4283 O OE1 . GLU B 215 ? 1.3425 1.4186 1.5033 -0.3562 0.0985 0.4367 347 GLU B OE1 4284 O OE2 . GLU B 215 ? 1.2619 1.3575 1.5174 -0.4003 0.1124 0.4401 347 GLU B OE2 4285 N N . LYS B 216 ? 0.9881 1.1245 1.2401 -0.3904 -0.0168 0.3093 348 LYS B N 4286 C CA . LYS B 216 ? 0.9560 1.1516 1.2319 -0.3846 -0.0277 0.2945 348 LYS B CA 4287 C C . LYS B 216 ? 0.9110 1.1081 1.2215 -0.4015 -0.0597 0.2708 348 LYS B C 4288 O O . LYS B 216 ? 0.9860 1.2401 1.3380 -0.4016 -0.0678 0.2619 348 LYS B O 4289 C CB . LYS B 216 ? 0.9629 1.1532 1.1859 -0.3474 -0.0301 0.2803 348 LYS B CB 4290 C CG . LYS B 216 ? 0.9623 1.2150 1.2112 -0.3299 -0.0292 0.2670 348 LYS B CG 4291 C CD . LYS B 216 ? 0.9994 1.3143 1.2819 -0.3331 0.0012 0.2829 348 LYS B CD 4292 C CE . LYS B 216 ? 1.0626 1.4407 1.3883 -0.3192 0.0017 0.2679 348 LYS B CE 4293 N NZ . LYS B 216 ? 1.1176 1.4881 1.4123 -0.2859 -0.0029 0.2480 348 LYS B NZ 4294 N N . LEU B 217 ? 0.7783 0.9154 1.0717 -0.4135 -0.0780 0.2589 349 LEU B N 4295 C CA . LEU B 217 ? 0.7560 0.8958 1.0755 -0.4297 -0.1097 0.2319 349 LEU B CA 4296 C C . LEU B 217 ? 0.8798 1.0417 1.2615 -0.4546 -0.1046 0.2287 349 LEU B C 4297 O O . LEU B 217 ? 0.9400 1.1314 1.3569 -0.4669 -0.1285 0.2064 349 LEU B O 4298 C CB . LEU B 217 ? 0.7942 0.8642 1.0707 -0.4314 -0.1296 0.2132 349 LEU B CB 4299 C CG . LEU B 217 ? 0.8354 0.8853 1.0478 -0.3965 -0.1398 0.2000 349 LEU B CG 4300 C CD1 . LEU B 217 ? 0.7909 0.7673 0.9612 -0.3968 -0.1493 0.1850 349 LEU B CD1 4301 C CD2 . LEU B 217 ? 0.6958 0.7936 0.9169 -0.3865 -0.1646 0.1820 349 LEU B CD2 4302 N N . LYS B 218 ? 0.9020 1.0524 1.2973 -0.4613 -0.0731 0.2511 350 LYS B N 4303 C CA . LYS B 218 ? 0.9314 1.1048 1.3902 -0.4857 -0.0618 0.2513 350 LYS B CA 4304 C C . LYS B 218 ? 0.7853 1.0412 1.2892 -0.4836 -0.0599 0.2512 350 LYS B C 4305 O O . LYS B 218 ? 0.8724 1.1611 1.4349 -0.5034 -0.0637 0.2396 350 LYS B O 4306 C CB . LYS B 218 ? 1.0062 1.1509 1.4651 -0.4902 -0.0247 0.2812 350 LYS B CB 4307 C CG . LYS B 218 ? 1.0621 1.1250 1.4976 -0.4958 -0.0232 0.2814 350 LYS B CG 4308 C CD . LYS B 218 ? 1.1598 1.2034 1.6197 -0.5082 0.0118 0.3088 350 LYS B CD 4309 C CE . LYS B 218 ? 1.2433 1.2041 1.6798 -0.5084 0.0171 0.3136 350 LYS B CE 4310 N NZ . LYS B 218 ? 1.2621 1.1960 1.6289 -0.4764 0.0210 0.3320 350 LYS B NZ 4311 N N . GLU B 219 ? 0.8412 1.1309 1.3210 -0.4587 -0.0531 0.2616 351 GLU B N 4312 C CA . GLU B 219 ? 0.8951 1.2620 1.4177 -0.4507 -0.0483 0.2609 351 GLU B CA 4313 C C . GLU B 219 ? 1.0179 1.4155 1.5596 -0.4465 -0.0853 0.2370 351 GLU B C 4314 O O . GLU B 219 ? 1.0815 1.5404 1.6569 -0.4335 -0.0862 0.2352 351 GLU B O 4315 C CB . GLU B 219 ? 0.8561 1.2474 1.3492 -0.4243 -0.0244 0.2768 351 GLU B CB 4316 C CG . GLU B 219 ? 0.9387 1.3014 1.3967 -0.4225 0.0086 0.3016 351 GLU B CG 4317 C CD . GLU B 219 ? 0.9407 1.3314 1.3635 -0.3957 0.0290 0.3105 351 GLU B CD 4318 O OE1 . GLU B 219 ? 0.8836 1.3256 1.3277 -0.3809 0.0259 0.2981 351 GLU B OE1 4319 O OE2 . GLU B 219 ? 1.0135 1.3767 1.3896 -0.3878 0.0480 0.3282 351 GLU B OE2 4320 N N . HIS B 220 ? 1.0421 1.3979 1.5612 -0.4553 -0.1151 0.2187 352 HIS B N 4321 C CA . HIS B 220 ? 0.9527 1.3374 1.4807 -0.4505 -0.1527 0.1969 352 HIS B CA 4322 C C . HIS B 220 ? 0.8812 1.2495 1.4281 -0.4760 -0.1768 0.1705 352 HIS B C 4323 O O . HIS B 220 ? 0.8834 1.2849 1.4420 -0.4746 -0.2090 0.1498 352 HIS B O 4324 C CB . HIS B 220 ? 0.9343 1.2931 1.4023 -0.4283 -0.1691 0.1957 352 HIS B CB 4325 C CG . HIS B 220 ? 0.8699 1.2606 1.3334 -0.4011 -0.1522 0.2125 352 HIS B CG 4326 N ND1 . HIS B 220 ? 0.8350 1.2906 1.3388 -0.3841 -0.1591 0.2127 352 HIS B ND1 4327 C CD2 . HIS B 220 ? 0.7892 1.1501 1.2076 -0.3793 -0.1260 0.2229 352 HIS B CD2 4328 C CE1 . HIS B 220 ? 0.7063 1.1675 1.1941 -0.3550 -0.1363 0.2209 352 HIS B CE1 4329 N NE2 . HIS B 220 ? 0.6402 1.0468 1.0747 -0.3520 -0.1168 0.2254 352 HIS B NE2 4330 N N . PHE B 221 ? 0.9076 1.2268 1.4588 -0.4978 -0.1605 0.1704 353 PHE B N 4331 C CA . PHE B 221 ? 0.9184 1.2168 1.4928 -0.5236 -0.1791 0.1402 353 PHE B CA 4332 C C . PHE B 221 ? 0.9106 1.2070 1.5443 -0.5513 -0.1533 0.1437 353 PHE B C 4333 O O . PHE B 221 ? 0.9588 1.2151 1.6082 -0.5744 -0.1561 0.1231 353 PHE B O 4334 C CB . PHE B 221 ? 0.9234 1.1466 1.4399 -0.5228 -0.1908 0.1261 353 PHE B CB 4335 C CG . PHE B 221 ? 0.9340 1.1614 1.3961 -0.5007 -0.2206 0.1149 353 PHE B CG 4336 C CD1 . PHE B 221 ? 0.9147 1.1671 1.3773 -0.5042 -0.2567 0.0814 353 PHE B CD1 4337 C CD2 . PHE B 221 ? 0.7743 0.9843 1.1850 -0.4761 -0.2113 0.1374 353 PHE B CD2 4338 C CE1 . PHE B 221 ? 0.8480 1.1064 1.2569 -0.4819 -0.2818 0.0748 353 PHE B CE1 4339 C CE2 . PHE B 221 ? 0.7520 0.9654 1.1161 -0.4566 -0.2361 0.1287 353 PHE B CE2 4340 C CZ . PHE B 221 ? 0.7841 1.0210 1.1454 -0.4588 -0.2707 0.0996 353 PHE B CZ 4341 N N . ASN B 222 ? 0.8871 1.2272 1.5549 -0.5489 -0.1262 0.1682 354 ASN B N 4342 C CA . ASN B 222 ? 0.9493 1.3002 1.6779 -0.5750 -0.0994 0.1741 354 ASN B CA 4343 C C . ASN B 222 ? 0.9594 1.2363 1.6778 -0.5914 -0.0740 0.1859 354 ASN B C 4344 O O . ASN B 222 ? 0.9881 1.2456 1.7479 -0.6204 -0.0743 0.1662 354 ASN B O 4345 C CB . ASN B 222 ? 0.9850 1.3839 1.7795 -0.5980 -0.1227 0.1400 354 ASN B CB 4346 C CG . ASN B 222 ? 1.0432 1.5237 1.8605 -0.5805 -0.1421 0.1352 354 ASN B CG 4347 O OD1 . ASN B 222 ? 1.0621 1.5947 1.9216 -0.5787 -0.1213 0.1502 354 ASN B OD1 4348 N ND2 . ASN B 222 ? 1.0784 1.5710 1.8678 -0.5659 -0.1808 0.1147 354 ASN B ND2 4349 N N . ASN B 223 ? 0.9675 1.2085 1.6349 -0.5724 -0.0500 0.2183 355 ASN B N 4350 C CA . ASN B 223 ? 1.0733 1.2507 1.7302 -0.5817 -0.0207 0.2395 355 ASN B CA 4351 C C . ASN B 223 ? 1.1601 1.2798 1.8346 -0.6061 -0.0330 0.2115 355 ASN B C 4352 O O . ASN B 223 ? 1.2883 1.4036 2.0166 -0.6355 -0.0191 0.2059 355 ASN B O 4353 C CB . ASN B 223 ? 1.1515 1.3598 1.8495 -0.5939 0.0176 0.2676 355 ASN B CB 4354 C CG . ASN B 223 ? 1.1840 1.3999 1.8355 -0.5676 0.0469 0.3074 355 ASN B CG 4355 O OD1 . ASN B 223 ? 1.1188 1.3472 1.7225 -0.5401 0.0366 0.3096 355 ASN B OD1 4356 N ND2 . ASN B 223 ? 1.3137 1.5247 1.9777 -0.5765 0.0838 0.3378 355 ASN B ND2 4357 N N . LYS B 224 ? 1.1069 1.1827 1.7351 -0.5944 -0.0578 0.1920 357 LYS B N 4358 C CA . LYS B 224 ? 1.2147 1.2304 1.8506 -0.6130 -0.0683 0.1616 357 LYS B CA 4359 C C . LYS B 224 ? 1.1872 1.1316 1.7578 -0.5904 -0.0634 0.1753 357 LYS B C 4360 O O . LYS B 224 ? 1.1714 1.1240 1.6888 -0.5617 -0.0661 0.1945 357 LYS B O 4361 C CB . LYS B 224 ? 1.2727 1.3183 1.9211 -0.6215 -0.1103 0.1114 357 LYS B CB 4362 C CG . LYS B 224 ? 1.3979 1.5046 2.1206 -0.6500 -0.1169 0.0879 357 LYS B CG 4363 C CD . LYS B 224 ? 1.3916 1.5454 2.1161 -0.6493 -0.1617 0.0433 357 LYS B CD 4364 C CE . LYS B 224 ? 1.3797 1.4788 2.0715 -0.6526 -0.1827 0.0043 357 LYS B CE 4365 N NZ . LYS B 224 ? 1.2925 1.4412 1.9686 -0.6445 -0.2270 -0.0348 357 LYS B NZ 4366 N N . THR B 225 ? 1.2446 1.1202 1.8207 -0.6032 -0.0548 0.1649 358 THR B N 4367 C CA . THR B 225 ? 1.2641 1.0727 1.7832 -0.5799 -0.0482 0.1791 358 THR B CA 4368 C C . THR B 225 ? 1.2111 1.0264 1.6816 -0.5605 -0.0832 0.1523 358 THR B C 4369 O O . THR B 225 ? 1.2092 1.0437 1.6939 -0.5730 -0.1126 0.1092 358 THR B O 4370 C CB . THR B 225 ? 1.3708 1.1035 1.9074 -0.5973 -0.0373 0.1642 358 THR B CB 4371 O OG1 . THR B 225 ? 1.2367 0.9635 1.7869 -0.6134 -0.0673 0.1072 358 THR B OG1 4372 C CG2 . THR B 225 ? 1.4407 1.1709 2.0320 -0.6255 -0.0078 0.1841 358 THR B CG2 4373 N N . ILE B 226 ? 1.0608 0.8634 1.4709 -0.5299 -0.0799 0.1772 359 ILE B N 4374 C CA . ILE B 226 ? 1.0469 0.8515 1.4041 -0.5113 -0.1095 0.1562 359 ILE B CA 4375 C C . ILE B 226 ? 1.1280 0.8561 1.4458 -0.4974 -0.1066 0.1504 359 ILE B C 4376 O O . ILE B 226 ? 1.1887 0.8833 1.4862 -0.4811 -0.0818 0.1841 359 ILE B O 4377 C CB . ILE B 226 ? 1.0358 0.8859 1.3544 -0.4873 -0.1078 0.1839 359 ILE B CB 4378 C CG1 . ILE B 226 ? 0.9278 0.8576 1.2892 -0.4981 -0.1112 0.1863 359 ILE B CG1 4379 C CG2 . ILE B 226 ? 1.0126 0.8511 1.2709 -0.4676 -0.1329 0.1662 359 ILE B CG2 4380 C CD1 . ILE B 226 ? 1.3507 1.3275 1.6874 -0.4761 -0.1011 0.2141 359 ILE B CD1 4381 N N . ILE B 227 ? 1.1574 0.8622 1.4639 -0.5020 -0.1317 0.1065 360 ILE B N 4382 C CA . ILE B 227 ? 1.2513 0.8837 1.5269 -0.4889 -0.1280 0.0953 360 ILE B CA 4383 C C . ILE B 227 ? 1.3040 0.9327 1.5132 -0.4665 -0.1521 0.0768 360 ILE B C 4384 O O . ILE B 227 ? 1.2606 0.9274 1.4584 -0.4716 -0.1801 0.0466 360 ILE B O 4385 C CB . ILE B 227 ? 1.2496 0.8440 1.5692 -0.5136 -0.1294 0.0537 360 ILE B CB 4386 C CG1 . ILE B 227 ? 1.3027 0.8916 1.6856 -0.5385 -0.1014 0.0729 360 ILE B CG1 4387 C CG2 . ILE B 227 ? 1.1998 0.7214 1.4898 -0.4980 -0.1245 0.0387 360 ILE B CG2 4388 C CD1 . ILE B 227 ? 1.2975 0.9484 1.7340 -0.5684 -0.1128 0.0528 360 ILE B CD1 4389 N N . PHE B 228 ? 1.3635 0.9496 1.5282 -0.4404 -0.1403 0.0961 361 PHE B N 4390 C CA . PHE B 228 ? 1.3457 0.9179 1.4478 -0.4191 -0.1581 0.0773 361 PHE B CA 4391 C C . PHE B 228 ? 1.4697 0.9833 1.5663 -0.4175 -0.1620 0.0394 361 PHE B C 4392 O O . PHE B 228 ? 1.5234 0.9892 1.6507 -0.4195 -0.1415 0.0451 361 PHE B O 4393 C CB . PHE B 228 ? 1.2662 0.8322 1.3234 -0.3898 -0.1435 0.1151 361 PHE B CB 4394 C CG . PHE B 228 ? 1.2088 0.8374 1.2592 -0.3866 -0.1431 0.1409 361 PHE B CG 4395 C CD1 . PHE B 228 ? 1.1838 0.8523 1.2013 -0.3736 -0.1604 0.1246 361 PHE B CD1 4396 C CD2 . PHE B 228 ? 1.1205 0.7765 1.1984 -0.3880 -0.1198 0.1786 361 PHE B CD2 4397 C CE1 . PHE B 228 ? 1.0698 0.8001 1.0888 -0.3629 -0.1550 0.1440 361 PHE B CE1 4398 C CE2 . PHE B 228 ? 1.0448 0.7616 1.1201 -0.3837 -0.1170 0.1979 361 PHE B CE2 4399 C CZ . PHE B 228 ? 1.0048 0.7583 1.0534 -0.3697 -0.1340 0.1786 361 PHE B CZ 4400 N N . GLN B 229 ? 1.4521 0.9720 1.5098 -0.4128 -0.1863 0.0007 362 GLN B N 4401 C CA . GLN B 229 ? 1.4609 0.9341 1.5084 -0.4087 -0.1899 -0.0417 362 GLN B CA 4402 C C . GLN B 229 ? 1.4070 0.8782 1.3826 -0.3839 -0.2033 -0.0573 362 GLN B C 4403 O O . GLN B 229 ? 1.3313 0.8472 1.2719 -0.3785 -0.2177 -0.0486 362 GLN B O 4404 C CB . GLN B 229 ? 1.4968 0.9895 1.5850 -0.4363 -0.2050 -0.0902 362 GLN B CB 4405 C CG . GLN B 229 ? 1.5865 1.0604 1.7506 -0.4619 -0.1854 -0.0859 362 GLN B CG 4406 C CD . GLN B 229 ? 1.7086 1.1979 1.9124 -0.4901 -0.1985 -0.1429 362 GLN B CD 4407 O OE1 . GLN B 229 ? 1.7680 1.2978 1.9439 -0.4898 -0.2260 -0.1825 362 GLN B OE1 4408 N NE2 . GLN B 229 ? 1.7391 1.1980 2.0031 -0.5152 -0.1774 -0.1472 362 GLN B NE2 4409 N N . PRO B 230 ? 1.4638 0.8840 1.4209 -0.3680 -0.1960 -0.0797 363 PRO B N 4410 C CA . PRO B 230 ? 1.4532 0.8720 1.3440 -0.3445 -0.2055 -0.0990 363 PRO B CA 4411 C C . PRO B 230 ? 1.3949 0.8623 1.2631 -0.3540 -0.2313 -0.1410 363 PRO B C 4412 O O . PRO B 230 ? 1.4263 0.9094 1.3344 -0.3766 -0.2401 -0.1721 363 PRO B O 4413 C CB . PRO B 230 ? 1.5324 0.8904 1.4286 -0.3299 -0.1895 -0.1190 363 PRO B CB 4414 C CG . PRO B 230 ? 1.5743 0.9093 1.5416 -0.3535 -0.1793 -0.1293 363 PRO B CG 4415 C CD . PRO B 230 ? 1.5166 0.8792 1.5174 -0.3699 -0.1753 -0.0862 363 PRO B CD 4416 N N . PRO B 231 ? 1.3444 0.8397 1.1513 -0.3360 -0.2421 -0.1409 364 PRO B N 4417 C CA . PRO B 231 ? 1.3415 0.8948 1.1175 -0.3378 -0.2656 -0.1707 364 PRO B CA 4418 C C . PRO B 231 ? 1.4258 0.9777 1.2126 -0.3461 -0.2720 -0.2271 364 PRO B C 4419 O O . PRO B 231 ? 1.4621 0.9625 1.2520 -0.3379 -0.2569 -0.2484 364 PRO B O 4420 C CB . PRO B 231 ? 1.3196 0.8840 1.0337 -0.3032 -0.2582 -0.1584 364 PRO B CB 4421 C CG . PRO B 231 ? 1.1880 0.7348 0.9146 -0.2870 -0.2356 -0.1108 364 PRO B CG 4422 C CD . PRO B 231 ? 1.2211 0.7098 0.9933 -0.3031 -0.2243 -0.1071 364 PRO B CD 4423 N N . SER B 232 ? 1.5385 1.1514 1.3350 -0.3611 -0.2943 -0.2522 365 SER B N 4424 C CA . SER B 232 ? 1.6083 1.2314 1.4262 -0.3738 -0.3027 -0.3111 365 SER B CA 4425 C C . SER B 232 ? 1.6650 1.2945 1.4249 -0.3516 -0.3039 -0.3486 365 SER B C 4426 O O . SER B 232 ? 1.7337 1.3823 1.5048 -0.3592 -0.3127 -0.4032 365 SER B O 4427 C CB . SER B 232 ? 1.6306 1.3267 1.4793 -0.3949 -0.3280 -0.3268 365 SER B CB 4428 O OG . SER B 232 ? 1.5953 1.3574 1.3948 -0.3791 -0.3460 -0.3073 365 SER B OG 4429 N N . GLY B 233 ? 1.6244 1.2421 1.3258 -0.3244 -0.2941 -0.3215 366 GLY B N 4430 C CA . GLY B 233 ? 1.6146 1.2394 1.2615 -0.3014 -0.2898 -0.3510 366 GLY B CA 4431 C C . GLY B 233 ? 1.6113 1.2944 1.1946 -0.2805 -0.2986 -0.3279 366 GLY B C 4432 O O . GLY B 233 ? 1.5319 1.2537 1.1168 -0.2841 -0.3106 -0.2918 366 GLY B O 4433 N N . GLY B 234 ? 1.6697 1.3615 1.2020 -0.2577 -0.2903 -0.3470 367 GLY B N 4434 C CA . GLY B 234 ? 1.6229 1.3681 1.0966 -0.2348 -0.2929 -0.3220 367 GLY B CA 4435 C C . GLY B 234 ? 1.5248 1.2320 0.9613 -0.2093 -0.2671 -0.2996 367 GLY B C 4436 O O . GLY B 234 ? 1.5173 1.1669 0.9636 -0.2049 -0.2490 -0.3179 367 GLY B O 4437 N N . ASP B 235 ? 1.3902 1.1316 0.7906 -0.1912 -0.2645 -0.2593 368 ASP B N 4438 C CA . ASP B 235 ? 1.3659 1.0784 0.7357 -0.1668 -0.2395 -0.2365 368 ASP B CA 4439 C C . ASP B 235 ? 1.2768 0.9213 0.6782 -0.1697 -0.2268 -0.2152 368 ASP B C 4440 O O . ASP B 235 ? 1.1736 0.8145 0.6203 -0.1849 -0.2343 -0.1953 368 ASP B O 4441 C CB . ASP B 235 ? 1.4105 1.1763 0.7485 -0.1485 -0.2384 -0.1938 368 ASP B CB 4442 C CG . ASP B 235 ? 1.5656 1.4018 0.8661 -0.1380 -0.2466 -0.2088 368 ASP B CG 4443 O OD1 . ASP B 235 ? 1.6001 1.4576 0.9048 -0.1500 -0.2629 -0.2527 368 ASP B OD1 4444 O OD2 . ASP B 235 ? 1.6325 1.5046 0.9018 -0.1164 -0.2365 -0.1766 368 ASP B OD2 4445 N N . LEU B 236 ? 1.1962 0.8017 0.5883 -0.1500 -0.2024 -0.2158 369 LEU B N 4446 C CA . LEU B 236 ? 1.1885 0.7449 0.6216 -0.1445 -0.1857 -0.1935 369 LEU B CA 4447 C C . LEU B 236 ? 1.0885 0.6709 0.5441 -0.1387 -0.1819 -0.1432 369 LEU B C 4448 O O . LEU B 236 ? 1.0624 0.6196 0.5564 -0.1414 -0.1758 -0.1226 369 LEU B O 4449 C CB . LEU B 236 ? 1.1911 0.7127 0.6088 -0.1214 -0.1618 -0.2041 369 LEU B CB 4450 C CG . LEU B 236 ? 1.3712 0.8644 0.7780 -0.1230 -0.1596 -0.2558 369 LEU B CG 4451 C CD1 . LEU B 236 ? 1.4840 0.9460 0.8883 -0.0978 -0.1338 -0.2602 369 LEU B CD1 4452 C CD2 . LEU B 236 ? 1.3560 0.8159 0.8136 -0.1453 -0.1694 -0.2751 369 LEU B CD2 4453 N N . GLU B 237 ? 1.0017 0.6361 0.4340 -0.1298 -0.1847 -0.1234 370 GLU B N 4454 C CA . GLU B 237 ? 1.1161 0.7780 0.5739 -0.1241 -0.1810 -0.0798 370 GLU B CA 4455 C C . GLU B 237 ? 1.0343 0.7095 0.5308 -0.1466 -0.1990 -0.0707 370 GLU B C 4456 O O . GLU B 237 ? 1.0261 0.7071 0.5569 -0.1455 -0.1929 -0.0411 370 GLU B O 4457 C CB . GLU B 237 ? 1.1162 0.8286 0.5455 -0.1092 -0.1796 -0.0593 370 GLU B CB 4458 C CG . GLU B 237 ? 1.1721 0.8761 0.5729 -0.0859 -0.1556 -0.0576 370 GLU B CG 4459 C CD . GLU B 237 ? 1.3314 1.0267 0.6856 -0.0845 -0.1558 -0.0970 370 GLU B CD 4460 O OE1 . GLU B 237 ? 1.3930 1.1016 0.7301 -0.1006 -0.1775 -0.1247 370 GLU B OE1 4461 O OE2 . GLU B 237 ? 1.3236 1.0017 0.6610 -0.0677 -0.1339 -0.1031 370 GLU B OE2 4462 N N . ILE B 238 ? 1.1323 0.8151 0.6254 -0.1675 -0.2202 -0.0991 371 ILE B N 4463 C CA . ILE B 238 ? 1.1261 0.8227 0.6612 -0.1919 -0.2369 -0.0946 371 ILE B CA 4464 C C . ILE B 238 ? 1.1841 0.8244 0.7554 -0.2070 -0.2303 -0.1044 371 ILE B C 4465 O O . ILE B 238 ? 1.1638 0.8018 0.7758 -0.2159 -0.2268 -0.0795 371 ILE B O 4466 C CB . ILE B 238 ? 1.2903 1.0278 0.8129 -0.2100 -0.2651 -0.1228 371 ILE B CB 4467 C CG1 . ILE B 238 ? 1.2924 1.0896 0.7741 -0.1924 -0.2726 -0.1089 371 ILE B CG1 4468 C CG2 . ILE B 238 ? 1.3435 1.1002 0.9180 -0.2361 -0.2814 -0.1170 371 ILE B CG2 4469 C CD1 . ILE B 238 ? 1.3605 1.2099 0.8243 -0.2070 -0.3030 -0.1360 371 ILE B CD1 4470 N N . THR B 239 ? 1.2306 0.8263 0.7880 -0.2086 -0.2269 -0.1393 372 THR B N 4471 C CA . THR B 239 ? 1.1613 0.6996 0.7563 -0.2231 -0.2213 -0.1498 372 THR B CA 4472 C C . THR B 239 ? 1.1739 0.6748 0.7835 -0.2054 -0.1983 -0.1188 372 THR B C 4473 O O . THR B 239 ? 1.1437 0.6054 0.7900 -0.2154 -0.1923 -0.1102 372 THR B O 4474 C CB . THR B 239 ? 1.1130 0.6138 0.6949 -0.2294 -0.2245 -0.2011 372 THR B CB 4475 O OG1 . THR B 239 ? 1.1939 0.6819 0.7343 -0.2022 -0.2092 -0.2099 372 THR B OG1 4476 C CG2 . THR B 239 ? 1.1514 0.6985 0.7231 -0.2474 -0.2483 -0.2368 372 THR B CG2 4477 N N . MET B 240 ? 0.9763 0.4920 0.5592 -0.1791 -0.1855 -0.1014 373 MET B N 4478 C CA . MET B 240 ? 0.9453 0.4353 0.5402 -0.1607 -0.1661 -0.0762 373 MET B CA 4479 C C . MET B 240 ? 0.8848 0.4174 0.4825 -0.1482 -0.1596 -0.0416 373 MET B C 4480 O O . MET B 240 ? 0.8920 0.4685 0.4765 -0.1471 -0.1662 -0.0369 373 MET B O 4481 C CB . MET B 240 ? 0.9653 0.4239 0.5352 -0.1390 -0.1527 -0.0956 373 MET B CB 4482 C CG . MET B 240 ? 1.4505 0.8691 1.0156 -0.1480 -0.1572 -0.1377 373 MET B CG 4483 S SD . MET B 240 ? 1.2067 0.5917 0.7483 -0.1197 -0.1383 -0.1601 373 MET B SD 4484 C CE . MET B 240 ? 1.0348 0.3766 0.6169 -0.1069 -0.1246 -0.1291 373 MET B CE 4485 N N . HIS B 241 ? 0.9158 0.4367 0.5328 -0.1380 -0.1465 -0.0180 374 HIS B N 4486 C CA . HIS B 241 ? 0.8024 0.3601 0.4250 -0.1237 -0.1375 0.0073 374 HIS B CA 4487 C C . HIS B 241 ? 0.7918 0.3518 0.3904 -0.1003 -0.1258 -0.0002 374 HIS B C 4488 O O . HIS B 241 ? 0.8559 0.3889 0.4523 -0.0855 -0.1149 -0.0047 374 HIS B O 4489 C CB . HIS B 241 ? 0.7826 0.3331 0.4304 -0.1205 -0.1283 0.0306 374 HIS B CB 4490 C CG . HIS B 241 ? 0.8348 0.4208 0.4893 -0.1039 -0.1175 0.0475 374 HIS B CG 4491 N ND1 . HIS B 241 ? 0.8282 0.4578 0.4907 -0.1050 -0.1188 0.0554 374 HIS B ND1 4492 C CD2 . HIS B 241 ? 0.7940 0.3801 0.4526 -0.0857 -0.1057 0.0556 374 HIS B CD2 4493 C CE1 . HIS B 241 ? 0.8618 0.5129 0.5356 -0.0896 -0.1067 0.0647 374 HIS B CE1 4494 N NE2 . HIS B 241 ? 0.9101 0.5385 0.5802 -0.0783 -0.0996 0.0636 374 HIS B NE2 4495 N N . SER B 242 ? 0.8182 0.4121 0.4019 -0.0965 -0.1275 0.0006 375 SER B N 4496 C CA . SER B 242 ? 0.8097 0.4091 0.3742 -0.0762 -0.1137 -0.0032 375 SER B CA 4497 C C . SER B 242 ? 0.8037 0.4334 0.3915 -0.0644 -0.1019 0.0195 375 SER B C 4498 O O . SER B 242 ? 0.7347 0.3939 0.3428 -0.0716 -0.1073 0.0362 375 SER B O 4499 C CB . SER B 242 ? 0.9258 0.5427 0.4561 -0.0776 -0.1202 -0.0152 375 SER B CB 4500 O OG . SER B 242 ? 0.9473 0.6063 0.4847 -0.0841 -0.1302 0.0034 375 SER B OG 4501 N N . PHE B 243 ? 0.8130 0.4367 0.4033 -0.0464 -0.0853 0.0172 376 PHE B N 4502 C CA . PHE B 243 ? 0.8324 0.4831 0.4504 -0.0355 -0.0723 0.0318 376 PHE B CA 4503 C C . PHE B 243 ? 0.8200 0.4644 0.4362 -0.0177 -0.0543 0.0230 376 PHE B C 4504 O O . PHE B 243 ? 0.7830 0.4016 0.3776 -0.0124 -0.0519 0.0065 376 PHE B O 4505 C CB . PHE B 243 ? 0.7229 0.3810 0.3710 -0.0378 -0.0731 0.0401 376 PHE B CB 4506 C CG . PHE B 243 ? 0.6905 0.3221 0.3367 -0.0314 -0.0715 0.0320 376 PHE B CG 4507 C CD1 . PHE B 243 ? 0.7897 0.3904 0.4238 -0.0415 -0.0820 0.0290 376 PHE B CD1 4508 C CD2 . PHE B 243 ? 0.7577 0.3971 0.4195 -0.0148 -0.0597 0.0282 376 PHE B CD2 4509 C CE1 . PHE B 243 ? 0.8498 0.4250 0.4862 -0.0330 -0.0799 0.0272 376 PHE B CE1 4510 C CE2 . PHE B 243 ? 0.6615 0.2818 0.3227 -0.0060 -0.0601 0.0244 376 PHE B CE2 4511 C CZ . PHE B 243 ? 0.7566 0.3435 0.4046 -0.0139 -0.0698 0.0264 376 PHE B CZ 4512 N N . ASN B 244 ? 0.7375 0.4058 0.3820 -0.0088 -0.0405 0.0324 377 ASN B N 4513 C CA . ASN B 244 ? 0.7285 0.3957 0.3817 0.0063 -0.0216 0.0245 377 ASN B CA 4514 C C . ASN B 244 ? 0.6780 0.3541 0.3680 0.0141 -0.0153 0.0184 377 ASN B C 4515 O O . ASN B 244 ? 0.6618 0.3616 0.3838 0.0117 -0.0143 0.0251 377 ASN B O 4516 C CB . ASN B 244 ? 0.6545 0.3421 0.3161 0.0108 -0.0072 0.0387 377 ASN B CB 4517 C CG . ASN B 244 ? 0.8097 0.4953 0.4791 0.0240 0.0149 0.0313 377 ASN B CG 4518 O OD1 . ASN B 244 ? 0.8143 0.5087 0.5243 0.0307 0.0268 0.0258 377 ASN B OD1 4519 N ND2 . ASN B 244 ? 0.8342 0.5124 0.4659 0.0276 0.0209 0.0290 377 ASN B ND2 4520 N N . CYS B 245 ? 0.7242 0.3851 0.4107 0.0243 -0.0114 0.0037 378 CYS B N 4521 C CA . CYS B 245 ? 0.6779 0.3535 0.3958 0.0337 -0.0085 -0.0040 378 CYS B CA 4522 C C . CYS B 245 ? 0.6693 0.3510 0.4066 0.0476 0.0090 -0.0172 378 CYS B C 4523 O O . CYS B 245 ? 0.6725 0.3335 0.3909 0.0552 0.0129 -0.0265 378 CYS B O 4524 C CB . CYS B 245 ? 0.6658 0.3230 0.3693 0.0353 -0.0226 -0.0054 378 CYS B CB 4525 S SG . CYS B 245 ? 0.7724 0.4553 0.5058 0.0506 -0.0231 -0.0125 378 CYS B SG 4526 N N . ARG B 246 ? 0.6420 0.3532 0.4222 0.0501 0.0208 -0.0200 379 ARG B N 4527 C CA . ARG B 246 ? 0.6140 0.3372 0.4258 0.0605 0.0394 -0.0329 379 ARG B CA 4528 C C . ARG B 246 ? 0.6662 0.3734 0.4579 0.0623 0.0555 -0.0277 379 ARG B C 4529 O O . ARG B 246 ? 0.7333 0.4390 0.5315 0.0723 0.0682 -0.0396 379 ARG B O 4530 C CB . ARG B 246 ? 0.5876 0.3152 0.4079 0.0735 0.0340 -0.0500 379 ARG B CB 4531 C CG . ARG B 246 ? 0.5954 0.3398 0.4199 0.0740 0.0156 -0.0509 379 ARG B CG 4532 C CD . ARG B 246 ? 0.5329 0.3138 0.3961 0.0677 0.0184 -0.0553 379 ARG B CD 4533 N NE . ARG B 246 ? 0.6155 0.4173 0.4741 0.0680 0.0018 -0.0550 379 ARG B NE 4534 C CZ . ARG B 246 ? 0.6024 0.4352 0.4835 0.0613 0.0008 -0.0589 379 ARG B CZ 4535 N NH1 . ARG B 246 ? 0.5513 0.3929 0.4671 0.0541 0.0149 -0.0632 379 ARG B NH1 4536 N NH2 . ARG B 246 ? 0.7298 0.5855 0.6003 0.0628 -0.0128 -0.0575 379 ARG B NH2 4537 N N . GLY B 247 ? 0.6868 0.3873 0.4535 0.0534 0.0548 -0.0095 380 GLY B N 4538 C CA . GLY B 247 ? 0.6128 0.3058 0.3523 0.0556 0.0691 -0.0014 380 GLY B CA 4539 C C . GLY B 247 ? 0.7397 0.4079 0.4215 0.0550 0.0572 -0.0091 380 GLY B C 4540 O O . GLY B 247 ? 0.7264 0.3931 0.3721 0.0536 0.0620 -0.0020 380 GLY B O 4541 N N . GLU B 248 ? 0.6706 0.3213 0.3453 0.0564 0.0418 -0.0240 381 GLU B N 4542 C CA . GLU B 248 ? 0.7719 0.3934 0.4027 0.0554 0.0312 -0.0362 381 GLU B CA 4543 C C . GLU B 248 ? 0.8574 0.4700 0.4627 0.0395 0.0096 -0.0277 381 GLU B C 4544 O O . GLU B 248 ? 0.7735 0.3961 0.3985 0.0319 -0.0011 -0.0155 381 GLU B O 4545 C CB . GLU B 248 ? 0.7925 0.3956 0.4354 0.0660 0.0266 -0.0526 381 GLU B CB 4546 C CG . GLU B 248 ? 0.8030 0.4216 0.4802 0.0820 0.0448 -0.0628 381 GLU B CG 4547 C CD . GLU B 248 ? 0.9579 0.5745 0.6187 0.0895 0.0658 -0.0735 381 GLU B CD 4548 O OE1 . GLU B 248 ? 1.0009 0.5995 0.6176 0.0852 0.0634 -0.0792 381 GLU B OE1 4549 O OE2 . GLU B 248 ? 0.9809 0.6175 0.6744 0.0993 0.0855 -0.0779 381 GLU B OE2 4550 N N . PHE B 249 ? 0.8549 0.4523 0.4185 0.0343 0.0037 -0.0372 382 PHE B N 4551 C CA . PHE B 249 ? 0.8000 0.3925 0.3427 0.0176 -0.0175 -0.0333 382 PHE B CA 4552 C C . PHE B 249 ? 0.8686 0.4261 0.4095 0.0118 -0.0321 -0.0477 382 PHE B C 4553 O O . PHE B 249 ? 0.9022 0.4331 0.4244 0.0154 -0.0308 -0.0704 382 PHE B O 4554 C CB . PHE B 249 ? 0.8992 0.5031 0.3993 0.0131 -0.0185 -0.0367 382 PHE B CB 4555 C CG . PHE B 249 ? 0.8926 0.5312 0.3955 0.0182 -0.0049 -0.0128 382 PHE B CG 4556 C CD1 . PHE B 249 ? 0.9348 0.5819 0.4366 0.0321 0.0199 -0.0125 382 PHE B CD1 4557 C CD2 . PHE B 249 ? 0.9533 0.6158 0.4652 0.0097 -0.0152 0.0114 382 PHE B CD2 4558 C CE1 . PHE B 249 ? 0.9914 0.6672 0.5013 0.0367 0.0353 0.0144 382 PHE B CE1 4559 C CE2 . PHE B 249 ? 0.8768 0.5676 0.3974 0.0163 -0.0013 0.0376 382 PHE B CE2 4560 C CZ . PHE B 249 ? 0.8496 0.5454 0.3694 0.0294 0.0245 0.0405 382 PHE B CZ 4561 N N . PHE B 250 ? 0.7574 0.3152 0.3205 0.0031 -0.0441 -0.0337 383 PHE B N 4562 C CA . PHE B 250 ? 0.8850 0.4103 0.4535 -0.0028 -0.0558 -0.0385 383 PHE B CA 4563 C C . PHE B 250 ? 0.9335 0.4490 0.4873 -0.0243 -0.0728 -0.0420 383 PHE B C 4564 O O . PHE B 250 ? 0.8336 0.3772 0.3862 -0.0360 -0.0805 -0.0295 383 PHE B O 4565 C CB . PHE B 250 ? 0.8145 0.3505 0.4142 0.0000 -0.0576 -0.0193 383 PHE B CB 4566 C CG . PHE B 250 ? 0.7598 0.2984 0.3779 0.0208 -0.0465 -0.0221 383 PHE B CG 4567 C CD1 . PHE B 250 ? 0.7890 0.3516 0.4158 0.0327 -0.0316 -0.0273 383 PHE B CD1 4568 C CD2 . PHE B 250 ? 0.7595 0.2798 0.3904 0.0285 -0.0509 -0.0171 383 PHE B CD2 4569 C CE1 . PHE B 250 ? 0.8089 0.3798 0.4585 0.0507 -0.0229 -0.0327 383 PHE B CE1 4570 C CE2 . PHE B 250 ? 0.8351 0.3654 0.4845 0.0491 -0.0437 -0.0194 383 PHE B CE2 4571 C CZ . PHE B 250 ? 0.7639 0.3211 0.4238 0.0596 -0.0305 -0.0297 383 PHE B CZ 4572 N N . TYR B 251 ? 0.8479 0.3240 0.3966 -0.0293 -0.0785 -0.0601 384 TYR B N 4573 C CA . TYR B 251 ? 0.9213 0.3847 0.4661 -0.0521 -0.0949 -0.0681 384 TYR B CA 4574 C C . TYR B 251 ? 0.9799 0.4034 0.5519 -0.0575 -0.0985 -0.0627 384 TYR B C 4575 O O . TYR B 251 ? 1.0145 0.4006 0.5923 -0.0459 -0.0917 -0.0753 384 TYR B O 4576 C CB . TYR B 251 ? 0.9804 0.4343 0.4934 -0.0561 -0.0978 -0.1025 384 TYR B CB 4577 C CG . TYR B 251 ? 1.0824 0.5807 0.5638 -0.0539 -0.0970 -0.1020 384 TYR B CG 4578 C CD1 . TYR B 251 ? 1.1075 0.6238 0.5786 -0.0339 -0.0787 -0.0955 384 TYR B CD1 4579 C CD2 . TYR B 251 ? 1.0635 0.5881 0.5285 -0.0714 -0.1141 -0.1060 384 TYR B CD2 4580 C CE1 . TYR B 251 ? 0.9546 0.5104 0.3990 -0.0309 -0.0754 -0.0884 384 TYR B CE1 4581 C CE2 . TYR B 251 ? 1.0828 0.6509 0.5180 -0.0666 -0.1138 -0.0995 384 TYR B CE2 4582 C CZ . TYR B 251 ? 1.0131 0.5947 0.4375 -0.0460 -0.0932 -0.0885 384 TYR B CZ 4583 O OH . TYR B 251 ? 1.0582 0.6820 0.4551 -0.0403 -0.0904 -0.0757 384 TYR B OH 4584 N N . CYS B 252 ? 0.9820 0.4145 0.5738 -0.0741 -0.1076 -0.0417 385 CYS B N 4585 C CA . CYS B 252 ? 0.9536 0.3538 0.5734 -0.0781 -0.1076 -0.0260 385 CYS B CA 4586 C C . CYS B 252 ? 1.0449 0.4253 0.6815 -0.1059 -0.1192 -0.0301 385 CYS B C 4587 O O . CYS B 252 ? 1.0443 0.4566 0.6828 -0.1242 -0.1290 -0.0254 385 CYS B O 4588 C CB . CYS B 252 ? 0.9334 0.3635 0.5682 -0.0696 -0.1026 0.0082 385 CYS B CB 4589 S SG . CYS B 252 ? 0.9952 0.4479 0.6234 -0.0385 -0.0896 0.0096 385 CYS B SG 4590 N N . ASN B 253 ? 1.0882 0.4157 0.7431 -0.1086 -0.1172 -0.0391 386 ASN B N 4591 C CA . ASN B 253 ? 1.1036 0.4043 0.7866 -0.1361 -0.1252 -0.0429 386 ASN B CA 4592 C C . ASN B 253 ? 1.1463 0.4640 0.8554 -0.1461 -0.1237 -0.0005 386 ASN B C 4593 O O . ASN B 253 ? 1.2609 0.5693 0.9804 -0.1307 -0.1136 0.0299 386 ASN B O 4594 C CB . ASN B 253 ? 1.2653 0.5038 0.9719 -0.1324 -0.1185 -0.0599 386 ASN B CB 4595 C CG . ASN B 253 ? 1.4376 0.6612 1.1828 -0.1603 -0.1235 -0.0790 386 ASN B CG 4596 O OD1 . ASN B 253 ? 1.3028 0.5430 1.0652 -0.1842 -0.1312 -0.0634 386 ASN B OD1 4597 N ND2 . ASN B 253 ? 1.7363 0.9314 1.5009 -0.1576 -0.1177 -0.1153 386 ASN B ND2 4598 N N . THR B 254 ? 1.0402 0.3881 0.7593 -0.1710 -0.1338 0.0015 387 THR B N 4599 C CA . THR B 254 ? 0.9859 0.3593 0.7288 -0.1812 -0.1305 0.0398 387 THR B CA 4600 C C . THR B 254 ? 1.0786 0.4252 0.8637 -0.2111 -0.1328 0.0446 387 THR B C 4601 O O . THR B 254 ? 1.0458 0.4236 0.8524 -0.2278 -0.1328 0.0678 387 THR B O 4602 C CB . THR B 254 ? 0.9917 0.4302 0.7230 -0.1844 -0.1367 0.0457 387 THR B CB 4603 O OG1 . THR B 254 ? 0.9236 0.3765 0.6486 -0.2012 -0.1524 0.0153 387 THR B OG1 4604 C CG2 . THR B 254 ? 0.9891 0.4543 0.6915 -0.1558 -0.1298 0.0495 387 THR B CG2 4605 N N . THR B 255 ? 1.0845 0.3795 0.8885 -0.2165 -0.1317 0.0211 388 THR B N 4606 C CA . THR B 255 ? 1.1375 0.4177 0.9969 -0.2404 -0.1273 0.0208 388 THR B CA 4607 C C . THR B 255 ? 1.1577 0.4387 1.0490 -0.2364 -0.1087 0.0721 388 THR B C 4608 O O . THR B 255 ? 1.2275 0.5178 1.1593 -0.2592 -0.1038 0.0863 388 THR B O 4609 C CB . THR B 255 ? 1.2454 0.4784 1.1291 -0.2397 -0.1224 -0.0170 388 THR B CB 4610 O OG1 . THR B 255 ? 1.2754 0.5158 1.1207 -0.2374 -0.1369 -0.0645 388 THR B OG1 4611 C CG2 . THR B 255 ? 1.3271 0.5468 1.2717 -0.2695 -0.1182 -0.0265 388 THR B CG2 4612 N N . GLN B 256 ? 1.1903 0.4675 1.0625 -0.2066 -0.0978 0.0993 389 GLN B N 4613 C CA . GLN B 256 ? 1.1624 0.4486 1.0554 -0.1975 -0.0798 0.1490 389 GLN B CA 4614 C C . GLN B 256 ? 1.1395 0.4840 1.0207 -0.2051 -0.0808 0.1765 389 GLN B C 4615 O O . GLN B 256 ? 1.1539 0.5153 1.0572 -0.2077 -0.0657 0.2133 389 GLN B O 4616 C CB . GLN B 256 ? 1.1739 0.4473 1.0497 -0.1614 -0.0706 0.1668 389 GLN B CB 4617 C CG . GLN B 256 ? 1.1400 0.3566 1.0378 -0.1508 -0.0643 0.1460 389 GLN B CG 4618 C CD . GLN B 256 ? 1.3120 0.5224 1.1973 -0.1140 -0.0565 0.1659 389 GLN B CD 4619 O OE1 . GLN B 256 ? 1.2621 0.4643 1.1675 -0.1007 -0.0407 0.2052 389 GLN B OE1 4620 N NE2 . GLN B 256 ? 1.1119 0.3278 0.9620 -0.0966 -0.0665 0.1393 389 GLN B NE2 4621 N N . LEU B 257 ? 1.1624 0.5384 1.0092 -0.2076 -0.0960 0.1586 390 LEU B N 4622 C CA . LEU B 257 ? 1.1067 0.5401 0.9464 -0.2141 -0.0962 0.1795 390 LEU B CA 4623 C C . LEU B 257 ? 1.1167 0.5685 0.9938 -0.2479 -0.0998 0.1784 390 LEU B C 4624 O O . LEU B 257 ? 1.0574 0.5489 0.9521 -0.2548 -0.0896 0.2067 390 LEU B O 4625 C CB . LEU B 257 ? 1.0520 0.5218 0.8539 -0.2001 -0.1060 0.1587 390 LEU B CB 4626 C CG . LEU B 257 ? 0.9397 0.4168 0.7099 -0.1662 -0.1000 0.1627 390 LEU B CG 4627 C CD1 . LEU B 257 ? 0.8701 0.3913 0.6181 -0.1557 -0.1056 0.1418 390 LEU B CD1 4628 C CD2 . LEU B 257 ? 0.9564 0.4563 0.7286 -0.1545 -0.0868 0.2027 390 LEU B CD2 4629 N N . PHE B 258 ? 1.2181 0.6466 1.1082 -0.2681 -0.1142 0.1426 391 PHE B N 4630 C CA . PHE B 258 ? 1.2176 0.6698 1.1467 -0.3007 -0.1213 0.1345 391 PHE B CA 4631 C C . PHE B 258 ? 1.3801 0.7935 1.3601 -0.3174 -0.1122 0.1264 391 PHE B C 4632 O O . PHE B 258 ? 1.3316 0.7391 1.3347 -0.3399 -0.1253 0.0902 391 PHE B O 4633 C CB . PHE B 258 ? 1.0981 0.5763 1.0077 -0.3106 -0.1456 0.0968 391 PHE B CB 4634 C CG . PHE B 258 ? 1.0439 0.5782 0.9192 -0.2879 -0.1467 0.1041 391 PHE B CG 4635 C CD1 . PHE B 258 ? 1.0079 0.6006 0.9019 -0.2951 -0.1449 0.1232 391 PHE B CD1 4636 C CD2 . PHE B 258 ? 1.0650 0.5930 0.8959 -0.2595 -0.1473 0.0913 391 PHE B CD2 4637 C CE1 . PHE B 258 ? 1.0031 0.6430 0.8739 -0.2741 -0.1442 0.1279 391 PHE B CE1 4638 C CE2 . PHE B 258 ? 1.0461 0.6216 0.8545 -0.2402 -0.1462 0.0977 391 PHE B CE2 4639 C CZ . PHE B 258 ? 1.0240 0.6537 0.8534 -0.2472 -0.1447 0.1154 391 PHE B CZ 4640 N N . ASN B 259 ? 1.5142 0.9039 1.5123 -0.3055 -0.0886 0.1597 392 ASN B N 4641 C CA . ASN B 259 ? 1.6307 0.9806 1.6816 -0.3210 -0.0727 0.1605 392 ASN B CA 4642 C C . ASN B 259 ? 1.6249 0.9993 1.7058 -0.3308 -0.0512 0.2042 392 ASN B C 4643 O O . ASN B 259 ? 1.5882 0.9814 1.6464 -0.3097 -0.0371 0.2443 392 ASN B O 4644 C CB . ASN B 259 ? 1.7310 1.0216 1.7781 -0.2980 -0.0595 0.1622 392 ASN B CB 4645 C CG . ASN B 259 ? 1.8227 1.0699 1.8830 -0.3069 -0.0692 0.1094 392 ASN B CG 4646 O OD1 . ASN B 259 ? 1.8144 1.0813 1.8723 -0.3253 -0.0903 0.0688 392 ASN B OD1 4647 N ND2 . ASN B 259 ? 1.8912 1.0821 1.9632 -0.2927 -0.0532 0.1086 392 ASN B ND2 4648 N N . ASN B 260 ? 1.6129 0.9906 1.7434 -0.3628 -0.0483 0.1938 393 ASN B N 4649 C CA . ASN B 260 ? 1.6067 1.0111 1.7667 -0.3758 -0.0274 0.2318 393 ASN B CA 4650 C C . ASN B 260 ? 1.7207 1.0770 1.8913 -0.3684 0.0015 0.2667 393 ASN B C 4651 O O . ASN B 260 ? 1.7263 1.0816 1.9324 -0.3890 0.0188 0.2864 393 ASN B O 4652 C CB . ASN B 260 ? 1.5302 0.9588 1.7416 -0.4137 -0.0350 0.2068 393 ASN B CB 4653 C CG . ASN B 260 ? 1.3805 0.8581 1.5774 -0.4204 -0.0666 0.1734 393 ASN B CG 4654 O OD1 . ASN B 260 ? 1.2921 0.8287 1.4809 -0.4202 -0.0705 0.1902 393 ASN B OD1 4655 N ND2 . ASN B 260 ? 1.4082 0.8630 1.5988 -0.4255 -0.0884 0.1256 393 ASN B ND2 4656 N N . THR B 261 ? 1.7834 1.1012 1.9212 -0.3389 0.0055 0.2757 394 THR B N 4657 C CA . THR B 261 ? 1.8634 1.1326 2.0023 -0.3283 0.0279 0.3100 394 THR B CA 4658 C C . THR B 261 ? 1.7698 1.0795 1.8768 -0.3063 0.0421 0.3631 394 THR B C 4659 O O . THR B 261 ? 1.7466 1.0415 1.8617 -0.3073 0.0606 0.4014 394 THR B O 4660 C CB . THR B 261 ? 1.9370 1.1464 2.0572 -0.3054 0.0244 0.2937 394 THR B CB 4661 O OG1 . THR B 261 ? 1.8989 1.1376 1.9740 -0.2740 0.0130 0.2926 394 THR B OG1 4662 C CG2 . THR B 261 ? 1.9405 1.1101 2.0903 -0.3278 0.0125 0.2370 394 THR B CG2 4663 N N . CYS B 262 ? 1.6245 0.9883 1.6941 -0.2873 0.0314 0.3635 395 CYS B N 4664 C CA . CYS B 262 ? 1.5471 0.9561 1.5784 -0.2631 0.0419 0.4043 395 CYS B CA 4665 C C . CYS B 262 ? 1.4670 0.9451 1.5060 -0.2783 0.0466 0.4160 395 CYS B C 4666 O O . CYS B 262 ? 1.3452 0.8789 1.3533 -0.2647 0.0394 0.4152 395 CYS B O 4667 C CB . CYS B 262 ? 1.5077 0.9316 1.4904 -0.2295 0.0289 0.3964 395 CYS B CB 4668 S SG . CYS B 262 ? 2.1378 1.4870 2.1134 -0.2084 0.0237 0.3801 395 CYS B SG 4669 N N . ILE B 263 ? 1.5995 1.0738 1.6824 -0.3072 0.0594 0.4252 396 ILE B N 4670 C CA . ILE B 263 ? 1.5775 1.1169 1.6753 -0.3228 0.0673 0.4375 396 ILE B CA 4671 C C . ILE B 263 ? 1.5662 1.1163 1.6661 -0.3222 0.0938 0.4846 396 ILE B C 4672 O O . ILE B 263 ? 1.4834 1.0382 1.5425 -0.2946 0.1014 0.5142 396 ILE B O 4673 C CB . ILE B 263 ? 1.5255 1.0699 1.6782 -0.3601 0.0586 0.4064 396 ILE B CB 4674 C CG1 . ILE B 263 ? 1.3917 0.9355 1.5373 -0.3610 0.0286 0.3604 396 ILE B CG1 4675 C CG2 . ILE B 263 ? 1.4874 1.1011 1.6599 -0.3748 0.0690 0.4215 396 ILE B CG2 4676 C CD1 . ILE B 263 ? 1.3782 0.9343 1.5732 -0.3957 0.0146 0.3261 396 ILE B CD1 4677 N N . ASN B 272 ? 1.7517 1.1609 1.5727 -0.0721 0.0293 0.5082 411 ASN B N 4678 C CA . ASN B 272 ? 1.6347 1.1135 1.4350 -0.0755 0.0264 0.4940 411 ASN B CA 4679 C C . ASN B 272 ? 1.6090 1.1405 1.3658 -0.0443 0.0145 0.4930 411 ASN B C 4680 O O . ASN B 272 ? 1.5142 1.1139 1.2495 -0.0423 0.0146 0.4928 411 ASN B O 4681 C CB . ASN B 272 ? 1.6678 1.1862 1.4784 -0.0962 0.0414 0.5182 411 ASN B CB 4682 C CG . ASN B 272 ? 1.7541 1.2325 1.6128 -0.1314 0.0503 0.5100 411 ASN B CG 4683 O OD1 . ASN B 272 ? 1.6774 1.1752 1.5521 -0.1515 0.0468 0.4838 411 ASN B OD1 4684 N ND2 . ASN B 272 ? 1.8539 1.2783 1.7396 -0.1397 0.0600 0.5315 411 ASN B ND2 4685 N N . GLY B 273 ? 1.6859 1.1867 1.4337 -0.0207 0.0038 0.4895 412 GLY B N 4686 C CA . GLY B 273 ? 1.1858 0.7333 0.9001 0.0078 -0.0106 0.4827 412 GLY B CA 4687 C C . GLY B 273 ? 1.3445 0.9019 1.0533 0.0084 -0.0201 0.4409 412 GLY B C 4688 O O . GLY B 273 ? 1.2858 0.8898 0.9891 -0.0035 -0.0190 0.4261 412 GLY B O 4689 N N . THR B 274 ? 1.1116 0.6269 0.8262 0.0228 -0.0284 0.4229 413 THR B N 4690 C CA . THR B 274 ? 1.0456 0.5733 0.7648 0.0256 -0.0351 0.3869 413 THR B CA 4691 C C . THR B 274 ? 1.0507 0.5220 0.8113 0.0054 -0.0340 0.3631 413 THR B C 4692 O O . THR B 274 ? 1.1249 0.5399 0.9063 0.0128 -0.0293 0.3651 413 THR B O 4693 C CB . THR B 274 ? 1.1611 0.7034 0.8615 0.0581 -0.0483 0.3795 413 THR B CB 4694 O OG1 . THR B 274 ? 1.0294 0.6390 0.6993 0.0671 -0.0604 0.3918 413 THR B OG1 4695 C CG2 . THR B 274 ? 0.9681 0.5246 0.6842 0.0522 -0.0603 0.3407 413 THR B CG2 4696 N N . ILE B 275 ? 1.0421 0.5240 0.8058 -0.0212 -0.0412 0.3356 414 ILE B N 4697 C CA . ILE B 275 ? 1.1215 0.5514 0.9055 -0.0428 -0.0474 0.3018 414 ILE B CA 4698 C C . ILE B 275 ? 0.9807 0.3970 0.7453 -0.0294 -0.0607 0.2649 414 ILE B C 4699 O O . ILE B 275 ? 0.9552 0.4078 0.6907 -0.0251 -0.0687 0.2489 414 ILE B O 4700 C CB . ILE B 275 ? 1.1374 0.5843 0.9239 -0.0754 -0.0511 0.2872 414 ILE B CB 4701 C CG1 . ILE B 275 ? 1.1798 0.6410 0.9868 -0.0900 -0.0359 0.3212 414 ILE B CG1 4702 C CG2 . ILE B 275 ? 1.1966 0.5952 0.9958 -0.0960 -0.0606 0.2487 414 ILE B CG2 4703 C CD1 . ILE B 275 ? 1.1472 0.6314 0.9646 -0.1216 -0.0396 0.3095 414 ILE B CD1 4704 N N . THR B 276 ? 1.1291 0.4921 0.9114 -0.0220 -0.0602 0.2501 415 THR B N 4705 C CA . THR B 276 ? 1.1218 0.4688 0.8858 -0.0075 -0.0685 0.2135 415 THR B CA 4706 C C . THR B 276 ? 1.1065 0.4158 0.8714 -0.0295 -0.0733 0.1712 415 THR B C 4707 O O . THR B 276 ? 1.0516 0.3167 0.8468 -0.0393 -0.0687 0.1617 415 THR B O 4708 C CB . THR B 276 ? 1.1843 0.5065 0.9659 0.0220 -0.0642 0.2221 415 THR B CB 4709 O OG1 . THR B 276 ? 1.2305 0.5948 1.0085 0.0439 -0.0625 0.2633 415 THR B OG1 4710 C CG2 . THR B 276 ? 1.0165 0.3286 0.7795 0.0383 -0.0700 0.1831 415 THR B CG2 4711 N N . LEU B 277 ? 0.9674 0.2970 0.7005 -0.0367 -0.0817 0.1457 416 LEU B N 4712 C CA . LEU B 277 ? 1.0541 0.3583 0.7791 -0.0553 -0.0879 0.1060 416 LEU B CA 4713 C C . LEU B 277 ? 1.0509 0.3355 0.7626 -0.0351 -0.0863 0.0731 416 LEU B C 4714 O O . LEU B 277 ? 0.9968 0.3167 0.6926 -0.0148 -0.0839 0.0698 416 LEU B O 4715 C CB . LEU B 277 ? 1.0092 0.3653 0.7169 -0.0705 -0.0936 0.0972 416 LEU B CB 4716 C CG . LEU B 277 ? 0.9098 0.2984 0.6293 -0.0892 -0.0940 0.1260 416 LEU B CG 4717 C CD1 . LEU B 277 ? 0.8657 0.3062 0.5723 -0.0982 -0.0990 0.1129 416 LEU B CD1 4718 C CD2 . LEU B 277 ? 0.9576 0.3065 0.7056 -0.1159 -0.0954 0.1322 416 LEU B CD2 4719 N N . PRO B 278 ? 1.0491 0.2924 0.7766 -0.0406 -0.0844 0.0451 417 PRO B N 4720 C CA . PRO B 278 ? 1.0347 0.2650 0.7498 -0.0229 -0.0804 0.0098 417 PRO B CA 4721 C C . PRO B 278 ? 1.0218 0.2816 0.6976 -0.0292 -0.0852 -0.0168 417 PRO B C 4722 O O . PRO B 278 ? 1.0996 0.3729 0.7672 -0.0537 -0.0935 -0.0258 417 PRO B O 4723 C CB . PRO B 278 ? 1.0911 0.2804 0.8383 -0.0333 -0.0766 -0.0158 417 PRO B CB 4724 C CG . PRO B 278 ? 1.1243 0.3101 0.8877 -0.0649 -0.0831 -0.0068 417 PRO B CG 4725 C CD . PRO B 278 ? 1.1057 0.3194 0.8685 -0.0641 -0.0838 0.0415 417 PRO B CD 4726 N N . CYS B 279 ? 0.9770 0.2599 0.6373 -0.0067 -0.0783 -0.0267 418 CYS B N 4727 C CA . CYS B 279 ? 0.9425 0.2671 0.5745 -0.0095 -0.0778 -0.0439 418 CYS B CA 4728 C C . CYS B 279 ? 1.0197 0.3353 0.6362 0.0061 -0.0681 -0.0769 418 CYS B C 4729 O O . CYS B 279 ? 0.9888 0.2738 0.6196 0.0245 -0.0606 -0.0853 418 CYS B O 4730 C CB . CYS B 279 ? 0.9554 0.3323 0.5874 -0.0005 -0.0756 -0.0195 418 CYS B CB 4731 S SG . CYS B 279 ? 1.2194 0.6218 0.8645 -0.0183 -0.0840 0.0158 418 CYS B SG 4732 N N . LYS B 280 ? 0.9487 0.2940 0.5370 -0.0002 -0.0672 -0.0934 419 LYS B N 4733 C CA . LYS B 280 ? 0.9637 0.3122 0.5327 0.0146 -0.0546 -0.1210 419 LYS B CA 4734 C C . LYS B 280 ? 0.9200 0.3197 0.4718 0.0187 -0.0476 -0.1121 419 LYS B C 4735 O O . LYS B 280 ? 0.9603 0.3886 0.5027 0.0038 -0.0557 -0.0983 419 LYS B O 4736 C CB . LYS B 280 ? 1.0200 0.3458 0.5668 0.0021 -0.0581 -0.1583 419 LYS B CB 4737 C CG . LYS B 280 ? 1.5050 0.7878 1.0853 0.0000 -0.0590 -0.1731 419 LYS B CG 4738 C CD . LYS B 280 ? 1.6140 0.8977 1.1832 -0.0103 -0.0589 -0.2159 419 LYS B CD 4739 C CE . LYS B 280 ? 1.6660 0.9127 1.2827 -0.0097 -0.0542 -0.2356 419 LYS B CE 4740 N NZ . LYS B 280 ? 1.7133 0.9674 1.3225 -0.0129 -0.0488 -0.2857 419 LYS B NZ 4741 N N . ILE B 281 ? 0.9554 0.3663 0.5090 0.0393 -0.0312 -0.1192 420 ILE B N 4742 C CA . ILE B 281 ? 0.8820 0.3356 0.4233 0.0432 -0.0198 -0.1136 420 ILE B CA 4743 C C . ILE B 281 ? 1.0137 0.4691 0.5172 0.0422 -0.0119 -0.1395 420 ILE B C 4744 O O . ILE B 281 ? 1.0766 0.5153 0.5762 0.0557 0.0006 -0.1641 420 ILE B O 4745 C CB . ILE B 281 ? 0.8508 0.3218 0.4202 0.0643 -0.0043 -0.1076 420 ILE B CB 4746 C CG1 . ILE B 281 ? 1.0057 0.4845 0.6075 0.0663 -0.0137 -0.0845 420 ILE B CG1 4747 C CG2 . ILE B 281 ? 0.8907 0.4009 0.4542 0.0666 0.0112 -0.1019 420 ILE B CG2 4748 C CD1 . ILE B 281 ? 0.7814 0.2866 0.4146 0.0853 -0.0023 -0.0817 420 ILE B CD1 4749 N N . LYS B 282 ? 0.9917 0.4715 0.4671 0.0275 -0.0194 -0.1342 421 LYS B N 4750 C CA . LYS B 282 ? 0.9982 0.4886 0.4299 0.0257 -0.0151 -0.1577 421 LYS B CA 4751 C C . LYS B 282 ? 0.9630 0.4931 0.3790 0.0371 0.0053 -0.1447 421 LYS B C 4752 O O . LYS B 282 ? 0.9236 0.4802 0.3568 0.0368 0.0083 -0.1135 421 LYS B O 4753 C CB . LYS B 282 ? 1.0688 0.5676 0.4762 0.0038 -0.0374 -0.1615 421 LYS B CB 4754 C CG . LYS B 282 ? 1.1060 0.5628 0.5282 -0.0103 -0.0544 -0.1816 421 LYS B CG 4755 C CD . LYS B 282 ? 1.0544 0.5255 0.4539 -0.0330 -0.0760 -0.1940 421 LYS B CD 4756 C CE . LYS B 282 ? 1.3027 0.7793 0.6593 -0.0333 -0.0749 -0.2371 421 LYS B CE 4757 N NZ . LYS B 282 ? 1.3787 0.9010 0.6940 -0.0191 -0.0603 -0.2302 421 LYS B NZ 4758 N N . GLN B 283 ? 1.0354 0.5694 0.4221 0.0472 0.0212 -0.1692 422 GLN B N 4759 C CA . GLN B 283 ? 1.1952 0.7678 0.5632 0.0574 0.0440 -0.1557 422 GLN B CA 4760 C C . GLN B 283 ? 1.1787 0.7851 0.4957 0.0477 0.0353 -0.1502 422 GLN B C 4761 O O . GLN B 283 ? 1.0452 0.6876 0.3547 0.0508 0.0456 -0.1185 422 GLN B O 4762 C CB . GLN B 283 ? 1.2235 0.7902 0.5854 0.0748 0.0690 -0.1832 422 GLN B CB 4763 C CG . GLN B 283 ? 1.2129 0.7511 0.6262 0.0876 0.0760 -0.1901 422 GLN B CG 4764 C CD . GLN B 283 ? 1.2152 0.7525 0.6277 0.1062 0.1021 -0.2171 422 GLN B CD 4765 O OE1 . GLN B 283 ? 1.3329 0.8512 0.7820 0.1126 0.0992 -0.2376 422 GLN B OE1 4766 N NE2 . GLN B 283 ? 1.1146 0.6892 0.5065 0.1126 0.1267 -0.2095 422 GLN B NE2 4767 N N . ILE B 284 ? 1.0868 0.6830 0.3724 0.0363 0.0161 -0.1809 423 ILE B N 4768 C CA . ILE B 284 ? 1.1233 0.7579 0.3593 0.0266 0.0021 -0.1802 423 ILE B CA 4769 C C . ILE B 284 ? 1.2384 0.8774 0.4922 0.0087 -0.0261 -0.1586 423 ILE B C 4770 O O . ILE B 284 ? 1.1442 0.7486 0.4264 -0.0034 -0.0427 -0.1719 423 ILE B O 4771 C CB . ILE B 284 ? 1.1872 0.8273 0.3966 0.0218 -0.0043 -0.2295 423 ILE B CB 4772 C CG1 . ILE B 284 ? 1.2110 0.8500 0.4231 0.0393 0.0247 -0.2530 423 ILE B CG1 4773 C CG2 . ILE B 284 ? 1.2224 0.9239 0.3897 0.0141 -0.0179 -0.2271 423 ILE B CG2 4774 C CD1 . ILE B 284 ? 1.3294 0.9843 0.5309 0.0351 0.0220 -0.3039 423 ILE B CD1 4775 N N . ILE B 285 ? 1.2603 0.9429 0.5010 0.0081 -0.0298 -0.1230 424 ILE B N 4776 C CA . ILE B 285 ? 1.2348 0.9276 0.5006 -0.0057 -0.0528 -0.0973 424 ILE B CA 4777 C C . ILE B 285 ? 1.2510 0.9968 0.4781 -0.0099 -0.0687 -0.0818 424 ILE B C 4778 O O . ILE B 285 ? 1.2164 0.9979 0.4091 0.0033 -0.0542 -0.0645 424 ILE B O 4779 C CB . ILE B 285 ? 1.1604 0.8495 0.4784 0.0011 -0.0396 -0.0575 424 ILE B CB 4780 C CG1 . ILE B 285 ? 1.1353 0.7794 0.4944 0.0033 -0.0322 -0.0711 424 ILE B CG1 4781 C CG2 . ILE B 285 ? 1.2219 0.9315 0.5633 -0.0101 -0.0592 -0.0287 424 ILE B CG2 4782 C CD1 . ILE B 285 ? 1.2966 0.9354 0.6688 0.0216 -0.0027 -0.0692 424 ILE B CD1 4783 N N . ASN B 286 ? 1.2870 1.0412 0.5214 -0.0277 -0.0983 -0.0863 425 ASN B N 4784 C CA . ASN B 286 ? 1.4396 1.2490 0.6529 -0.0307 -0.1169 -0.0624 425 ASN B CA 4785 C C . ASN B 286 ? 1.4819 1.3037 0.7401 -0.0251 -0.1119 -0.0104 425 ASN B C 4786 O O . ASN B 286 ? 1.3634 1.1609 0.6713 -0.0343 -0.1173 -0.0045 425 ASN B O 4787 C CB . ASN B 286 ? 1.4571 1.2802 0.6756 -0.0520 -0.1495 -0.0919 425 ASN B CB 4788 C CG . ASN B 286 ? 1.4518 1.3046 0.6370 -0.0529 -0.1548 -0.1369 425 ASN B CG 4789 O OD1 . ASN B 286 ? 1.5928 1.5115 0.7544 -0.0487 -0.1674 -0.1341 425 ASN B OD1 4790 N ND2 . ASN B 286 ? 1.4510 1.2589 0.6372 -0.0558 -0.1450 -0.1794 425 ASN B ND2 4791 N N . MET B 287 ? 1.4868 1.3474 0.7289 -0.0096 -0.1000 0.0275 426 MET B N 4792 C CA . MET B 287 ? 1.4641 1.3333 0.7546 -0.0015 -0.0897 0.0759 426 MET B CA 4793 C C . MET B 287 ? 1.4706 1.3650 0.7882 -0.0123 -0.1173 0.0927 426 MET B C 4794 O O . MET B 287 ? 1.4362 1.3681 0.7278 -0.0193 -0.1426 0.0824 426 MET B O 4795 C CB . MET B 287 ? 1.4925 1.3937 0.7627 0.0186 -0.0667 0.1148 426 MET B CB 4796 C CG . MET B 287 ? 1.5635 1.4506 0.8012 0.0290 -0.0388 0.0977 426 MET B CG 4797 S SD . MET B 287 ? 1.6904 1.6174 0.9320 0.0469 -0.0057 0.1481 426 MET B SD 4798 C CE . MET B 287 ? 1.3303 1.2219 0.6473 0.0550 0.0169 0.1842 426 MET B CE 4799 N N . TRP B 288 ? 1.4537 1.3341 0.8322 -0.0124 -0.1109 0.1151 427 TRP B N 4800 C CA . TRP B 288 ? 1.4277 1.3313 0.8412 -0.0216 -0.1331 0.1309 427 TRP B CA 4801 C C . TRP B 288 ? 1.4648 1.4151 0.8860 -0.0067 -0.1332 0.1785 427 TRP B C 4802 O O . TRP B 288 ? 1.4262 1.4050 0.8794 -0.0099 -0.1509 0.1938 427 TRP B O 4803 C CB . TRP B 288 ? 1.3480 1.2197 0.8226 -0.0283 -0.1258 0.1297 427 TRP B CB 4804 C CG . TRP B 288 ? 1.2296 1.0866 0.7424 -0.0132 -0.0958 0.1519 427 TRP B CG 4805 C CD1 . TRP B 288 ? 1.2170 1.0397 0.7339 -0.0076 -0.0729 0.1373 427 TRP B CD1 4806 C CD2 . TRP B 288 ? 1.0974 0.9747 0.6570 -0.0021 -0.0853 0.1900 427 TRP B CD2 4807 N NE1 . TRP B 288 ? 1.1613 0.9836 0.7246 0.0042 -0.0496 0.1613 427 TRP B NE1 4808 C CE2 . TRP B 288 ? 1.0938 0.9464 0.6852 0.0077 -0.0556 0.1934 427 TRP B CE2 4809 C CE3 . TRP B 288 ? 1.0514 0.9663 0.6344 0.0010 -0.0982 0.2204 427 TRP B CE3 4810 C CZ2 . TRP B 288 ? 1.0555 0.9159 0.7029 0.0188 -0.0373 0.2233 427 TRP B CZ2 4811 C CZ3 . TRP B 288 ? 1.0997 1.0206 0.7377 0.0145 -0.0793 0.2534 427 TRP B CZ3 4812 C CH2 . TRP B 288 ? 1.0749 0.9668 0.7454 0.0224 -0.0486 0.2533 427 TRP B CH2 4813 N N . GLN B 289 ? 1.5035 1.4627 0.9046 0.0122 -0.1100 0.2017 428 GLN B N 4814 C CA . GLN B 289 ? 1.5117 1.4994 0.9300 0.0298 -0.1041 0.2417 428 GLN B CA 4815 C C . GLN B 289 ? 1.5502 1.5777 0.9238 0.0310 -0.1293 0.2341 428 GLN B C 4816 O O . GLN B 289 ? 1.5560 1.6129 0.9415 0.0416 -0.1323 0.2652 428 GLN B O 4817 C CB . GLN B 289 ? 1.4635 1.4385 0.8862 0.0421 -0.0694 0.2660 428 GLN B CB 4818 C CG . GLN B 289 ? 1.3129 1.2545 0.7932 0.0447 -0.0421 0.2753 428 GLN B CG 4819 C CD . GLN B 289 ? 1.2337 1.1391 0.6937 0.0391 -0.0320 0.2377 428 GLN B CD 4820 O OE1 . GLN B 289 ? 1.1578 1.0497 0.5996 0.0242 -0.0531 0.1992 428 GLN B OE1 4821 N NE2 . GLN B 289 ? 1.1690 1.0536 0.6452 0.0482 0.0008 0.2424 428 GLN B NE2 4822 N N . GLY B 290 ? 1.5786 1.6094 0.9055 0.0203 -0.1471 0.1906 429 GLY B N 4823 C CA . GLY B 290 ? 1.6197 1.6875 0.9033 0.0194 -0.1724 0.1742 429 GLY B CA 4824 C C . GLY B 290 ? 1.6601 1.7314 0.8849 0.0270 -0.1579 0.1736 429 GLY B C 4825 O O . GLY B 290 ? 1.6704 1.7729 0.8519 0.0260 -0.1761 0.1574 429 GLY B O 4826 N N . THR B 291 ? 1.6900 1.7352 0.9183 0.0326 -0.1242 0.1906 430 THR B N 4827 C CA . THR B 291 ? 1.7658 1.8216 0.9490 0.0388 -0.1037 0.1935 430 THR B CA 4828 C C . THR B 291 ? 1.7622 1.8135 0.8860 0.0281 -0.1125 0.1385 430 THR B C 4829 O O . THR B 291 ? 1.7902 1.8722 0.8667 0.0299 -0.1231 0.1264 430 THR B O 4830 C CB . THR B 291 ? 1.7889 1.8218 1.0022 0.0462 -0.0637 0.2186 430 THR B CB 4831 O OG1 . THR B 291 ? 1.8041 1.8008 1.0382 0.0375 -0.0567 0.1928 430 THR B OG1 4832 C CG2 . THR B 291 ? 1.7226 1.7605 0.9977 0.0581 -0.0520 0.2711 430 THR B CG2 4833 N N . GLY B 292 ? 1.7969 1.8119 0.9266 0.0165 -0.1079 0.1037 431 GLY B N 4834 C CA . GLY B 292 ? 1.7830 1.7903 0.8728 0.0040 -0.1142 0.0463 431 GLY B CA 4835 C C . GLY B 292 ? 1.6961 1.6937 0.8205 0.0055 -0.0931 0.0163 431 GLY B C 4836 O O . GLY B 292 ? 1.5605 1.5092 0.7229 0.0026 -0.0990 0.0138 431 GLY B O 4837 N N . GLN B 293 ? 1.7449 1.7327 0.8373 0.0097 -0.0708 -0.0077 432 GLN B N 4838 C CA . GLN B 293 ? 1.7320 1.6587 0.8374 0.0155 -0.0535 -0.0415 432 GLN B CA 4839 C C . GLN B 293 ? 1.6823 1.5909 0.7942 0.0331 -0.0147 -0.0154 432 GLN B C 4840 O O . GLN B 293 ? 1.6594 1.6072 0.7594 0.0411 0.0023 0.0212 432 GLN B O 4841 C CB . GLN B 293 ? 1.7820 1.7092 0.8602 0.0077 -0.0591 -0.1037 432 GLN B CB 4842 C CG . GLN B 293 ? 1.8281 1.7499 0.9188 -0.0105 -0.0937 -0.1418 432 GLN B CG 4843 C CD . GLN B 293 ? 1.8857 1.8840 0.9546 -0.0178 -0.1190 -0.1392 432 GLN B CD 4844 O OE1 . GLN B 293 ? 1.9991 1.9999 1.0290 -0.0236 -0.1140 -0.0932 432 GLN B OE1 4845 N NE2 . GLN B 293 ? 1.8605 1.8587 0.9405 -0.0268 -0.1479 -0.1824 432 GLN B NE2 4846 N N . ALA B 294 ? 1.5980 1.4452 0.7324 0.0365 -0.0007 -0.0339 433 ALA B N 4847 C CA . ALA B 294 ? 1.5208 1.3495 0.6692 0.0527 0.0367 -0.0161 433 ALA B CA 4848 C C . ALA B 294 ? 1.4097 1.1869 0.5871 0.0526 0.0457 -0.0560 433 ALA B C 4849 O O . ALA B 294 ? 1.2896 1.0330 0.4897 0.0404 0.0238 -0.0803 433 ALA B O 4850 C CB . ALA B 294 ? 1.4161 1.2458 0.6195 0.0558 0.0454 0.0358 433 ALA B CB 4851 N N . MET B 295 ? 1.3156 1.0896 0.4968 0.0666 0.0786 -0.0599 434 MET B N 4852 C CA . MET B 295 ? 1.2517 0.9831 0.4647 0.0703 0.0883 -0.0950 434 MET B CA 4853 C C . MET B 295 ? 1.1784 0.9015 0.4496 0.0805 0.1159 -0.0721 434 MET B C 4854 O O . MET B 295 ? 1.0794 0.8299 0.3486 0.0905 0.1446 -0.0477 434 MET B O 4855 C CB . MET B 295 ? 1.3089 1.0427 0.4757 0.0773 0.0994 -0.1401 434 MET B CB 4856 C CG . MET B 295 ? 1.3128 1.0019 0.5156 0.0837 0.1084 -0.1767 434 MET B CG 4857 S SD . MET B 295 ? 1.5402 1.2436 0.7289 0.0848 0.1113 -0.2342 434 MET B SD 4858 C CE . MET B 295 ? 1.3583 1.1247 0.5111 0.0973 0.1466 -0.2170 434 MET B CE 4859 N N . TYR B 296 ? 1.0541 0.7423 0.3784 0.0777 0.1072 -0.0804 435 TYR B N 4860 C CA . TYR B 296 ? 1.0706 0.7549 0.4559 0.0856 0.1279 -0.0647 435 TYR B CA 4861 C C . TYR B 296 ? 1.0792 0.7424 0.4852 0.0974 0.1421 -0.0976 435 TYR B C 4862 O O . TYR B 296 ? 1.1007 0.7463 0.4768 0.0998 0.1367 -0.1327 435 TYR B O 4863 C CB . TYR B 296 ? 0.9421 0.6141 0.3757 0.0764 0.1087 -0.0471 435 TYR B CB 4864 C CG . TYR B 296 ? 1.0253 0.7203 0.4548 0.0678 0.0990 -0.0113 435 TYR B CG 4865 C CD1 . TYR B 296 ? 1.0778 0.7750 0.4721 0.0561 0.0707 -0.0126 435 TYR B CD1 4866 C CD2 . TYR B 296 ? 1.0147 0.7298 0.4823 0.0715 0.1186 0.0232 435 TYR B CD2 4867 C CE1 . TYR B 296 ? 1.0940 0.8159 0.4889 0.0505 0.0611 0.0212 435 TYR B CE1 4868 C CE2 . TYR B 296 ? 0.9676 0.7021 0.4377 0.0662 0.1108 0.0577 435 TYR B CE2 4869 C CZ . TYR B 296 ? 1.0031 0.7425 0.4357 0.0568 0.0814 0.0573 435 TYR B CZ 4870 O OH . TYR B 296 ? 0.8989 0.6611 0.3382 0.0537 0.0728 0.0926 435 TYR B OH 4871 N N . ALA B 297 ? 1.1121 0.7789 0.5747 0.1049 0.1601 -0.0876 436 ALA B N 4872 C CA . ALA B 297 ? 1.0915 0.7458 0.5844 0.1182 0.1738 -0.1145 436 ALA B CA 4873 C C . ALA B 297 ? 1.0072 0.6268 0.5231 0.1176 0.1475 -0.1327 436 ALA B C 4874 O O . ALA B 297 ? 0.8883 0.4985 0.4099 0.1059 0.1234 -0.1190 436 ALA B O 4875 C CB . ALA B 297 ? 1.0747 0.7522 0.6258 0.1249 0.2004 -0.0978 436 ALA B CB 4876 N N . PRO B 298 ? 1.0398 0.6415 0.5701 0.1313 0.1533 -0.1615 437 PRO B N 4877 C CA . PRO B 298 ? 0.9999 0.5696 0.5579 0.1347 0.1317 -0.1728 437 PRO B CA 4878 C C . PRO B 298 ? 0.9965 0.5783 0.6046 0.1330 0.1221 -0.1502 437 PRO B C 4879 O O . PRO B 298 ? 1.0174 0.6302 0.6572 0.1351 0.1391 -0.1375 437 PRO B O 4880 C CB . PRO B 298 ? 1.0707 0.6384 0.6537 0.1530 0.1471 -0.1990 437 PRO B CB 4881 C CG . PRO B 298 ? 1.1105 0.6950 0.6530 0.1539 0.1683 -0.2134 437 PRO B CG 4882 C CD . PRO B 298 ? 1.0219 0.6322 0.5379 0.1452 0.1806 -0.1850 437 PRO B CD 4883 N N . PRO B 299 ? 1.0495 0.6088 0.6665 0.1288 0.0963 -0.1465 438 PRO B N 4884 C CA . PRO B 299 ? 0.9810 0.5551 0.6372 0.1265 0.0839 -0.1277 438 PRO B CA 4885 C C . PRO B 299 ? 0.8596 0.4611 0.5684 0.1420 0.0972 -0.1321 438 PRO B C 4886 O O . PRO B 299 ? 0.8773 0.4758 0.5982 0.1580 0.1099 -0.1502 438 PRO B O 4887 C CB . PRO B 299 ? 1.1108 0.6518 0.7633 0.1259 0.0596 -0.1286 438 PRO B CB 4888 C CG . PRO B 299 ? 1.1519 0.6611 0.7599 0.1173 0.0552 -0.1422 438 PRO B CG 4889 C CD . PRO B 299 ? 1.0749 0.5933 0.6654 0.1256 0.0790 -0.1616 438 PRO B CD 4890 N N . ILE B 300 ? 0.7721 0.4027 0.5155 0.1370 0.0941 -0.1186 439 ILE B N 4891 C CA . ILE B 300 ? 0.8073 0.4708 0.6068 0.1490 0.1030 -0.1262 439 ILE B CA 4892 C C . ILE B 300 ? 0.9350 0.5931 0.7522 0.1656 0.0861 -0.1345 439 ILE B C 4893 O O . ILE B 300 ? 0.9796 0.6080 0.7707 0.1649 0.0665 -0.1280 439 ILE B O 4894 C CB . ILE B 300 ? 0.8458 0.5424 0.6808 0.1382 0.1017 -0.1152 439 ILE B CB 4895 C CG1 . ILE B 300 ? 0.9257 0.6137 0.7425 0.1281 0.0757 -0.1020 439 ILE B CG1 4896 C CG2 . ILE B 300 ? 0.8714 0.5773 0.7060 0.1267 0.1242 -0.1040 439 ILE B CG2 4897 C CD1 . ILE B 300 ? 0.9319 0.6509 0.7814 0.1171 0.0752 -0.0949 439 ILE B CD1 4898 N N . ASP B 301 ? 0.9906 0.6792 0.8559 0.1809 0.0940 -0.1468 440 ASP B N 4899 C CA . ASP B 301 ? 0.9905 0.6831 0.8780 0.2007 0.0777 -0.1514 440 ASP B CA 4900 C C . ASP B 301 ? 0.9196 0.6367 0.8196 0.1976 0.0540 -0.1390 440 ASP B C 4901 O O . ASP B 301 ? 0.8998 0.6351 0.8015 0.1807 0.0532 -0.1328 440 ASP B O 4902 C CB . ASP B 301 ? 0.9945 0.7204 0.9332 0.2189 0.0931 -0.1700 440 ASP B CB 4903 C CG . ASP B 301 ? 1.0388 0.7525 0.9730 0.2197 0.1131 -0.1813 440 ASP B CG 4904 O OD1 . ASP B 301 ? 1.1210 0.7961 1.0216 0.2202 0.1067 -0.1808 440 ASP B OD1 4905 O OD2 . ASP B 301 ? 1.0491 0.7941 1.0151 0.2203 0.1348 -0.1926 440 ASP B OD2 4906 N N . GLY B 302 ? 0.9355 0.6552 0.8450 0.2156 0.0357 -0.1347 441 GLY B N 4907 C CA . GLY B 302 ? 0.9919 0.7437 0.9101 0.2166 0.0136 -0.1229 441 GLY B CA 4908 C C . GLY B 302 ? 0.9406 0.6636 0.8155 0.2008 -0.0002 -0.1008 441 GLY B C 4909 O O . GLY B 302 ? 0.8965 0.5723 0.7362 0.1891 0.0046 -0.0955 441 GLY B O 4910 N N . LYS B 303 ? 0.7735 0.5302 0.6522 0.2002 -0.0173 -0.0899 442 LYS B N 4911 C CA . LYS B 303 ? 0.7190 0.4561 0.5620 0.1858 -0.0293 -0.0676 442 LYS B CA 4912 C C . LYS B 303 ? 0.6915 0.4265 0.5231 0.1605 -0.0202 -0.0702 442 LYS B C 4913 O O . LYS B 303 ? 0.6790 0.4518 0.5384 0.1547 -0.0121 -0.0843 442 LYS B O 4914 C CB . LYS B 303 ? 0.6638 0.4451 0.5122 0.1948 -0.0483 -0.0546 442 LYS B CB 4915 C CG . LYS B 303 ? 0.6582 0.4226 0.4720 0.1810 -0.0584 -0.0286 442 LYS B CG 4916 C CD . LYS B 303 ? 0.7666 0.5782 0.5800 0.1932 -0.0754 -0.0124 442 LYS B CD 4917 C CE . LYS B 303 ? 0.9200 0.8020 0.7577 0.1907 -0.0768 -0.0354 442 LYS B CE 4918 N NZ . LYS B 303 ? 1.0021 0.9386 0.8320 0.2024 -0.0940 -0.0220 442 LYS B NZ 4919 N N . ILE B 304 ? 0.6919 0.3830 0.4874 0.1460 -0.0214 -0.0568 443 ILE B N 4920 C CA . ILE B 304 ? 0.6578 0.3478 0.4406 0.1238 -0.0166 -0.0536 443 ILE B CA 4921 C C . ILE B 304 ? 0.7254 0.4136 0.4889 0.1131 -0.0315 -0.0330 443 ILE B C 4922 O O . ILE B 304 ? 0.7989 0.4506 0.5396 0.1118 -0.0398 -0.0189 443 ILE B O 4923 C CB . ILE B 304 ? 0.6957 0.3445 0.4522 0.1143 -0.0061 -0.0569 443 ILE B CB 4924 C CG1 . ILE B 304 ? 0.6473 0.2954 0.4183 0.1274 0.0109 -0.0754 443 ILE B CG1 4925 C CG2 . ILE B 304 ? 0.7277 0.3844 0.4763 0.0949 -0.0013 -0.0510 443 ILE B CG2 4926 C CD1 . ILE B 304 ? 0.8537 0.4664 0.5925 0.1214 0.0214 -0.0813 443 ILE B CD1 4927 N N . ASN B 305 ? 0.6255 0.3534 0.4026 0.1051 -0.0332 -0.0326 444 ASN B N 4928 C CA . ASN B 305 ? 0.6269 0.3637 0.3892 0.0968 -0.0451 -0.0138 444 ASN B CA 4929 C C . ASN B 305 ? 0.6368 0.3941 0.4054 0.0790 -0.0412 -0.0142 444 ASN B C 4930 O O . ASN B 305 ? 0.6660 0.4558 0.4645 0.0788 -0.0325 -0.0309 444 ASN B O 4931 C CB . ASN B 305 ? 0.5856 0.3631 0.3576 0.1131 -0.0555 -0.0103 444 ASN B CB 4932 C CG . ASN B 305 ? 0.6563 0.4549 0.4135 0.1051 -0.0642 0.0090 444 ASN B CG 4933 O OD1 . ASN B 305 ? 0.5854 0.4297 0.3561 0.0999 -0.0629 -0.0013 444 ASN B OD1 4934 N ND2 . ASN B 305 ? 0.6662 0.4319 0.3992 0.1037 -0.0711 0.0361 444 ASN B ND2 4935 N N . CYS B 306 ? 0.6181 0.3560 0.3646 0.0643 -0.0469 0.0038 445 CYS B N 4936 C CA . CYS B 306 ? 0.5801 0.3385 0.3345 0.0489 -0.0446 0.0065 445 CYS B CA 4937 C C . CYS B 306 ? 0.6363 0.4034 0.3768 0.0408 -0.0538 0.0263 445 CYS B C 4938 O O . CYS B 306 ? 0.7179 0.4500 0.4371 0.0323 -0.0598 0.0432 445 CYS B O 4939 C CB . CYS B 306 ? 0.5788 0.3088 0.3246 0.0360 -0.0395 0.0083 445 CYS B CB 4940 S SG . CYS B 306 ? 0.7895 0.5241 0.5582 0.0423 -0.0224 -0.0088 445 CYS B SG 4941 N N . VAL B 307 ? 0.5626 0.3786 0.3181 0.0430 -0.0534 0.0223 446 VAL B N 4942 C CA . VAL B 307 ? 0.6044 0.4383 0.3483 0.0351 -0.0581 0.0413 446 VAL B CA 4943 C C . VAL B 307 ? 0.5578 0.4115 0.3191 0.0203 -0.0521 0.0371 446 VAL B C 4944 O O . VAL B 307 ? 0.5925 0.4792 0.3824 0.0233 -0.0446 0.0159 446 VAL B O 4945 C CB . VAL B 307 ? 0.5444 0.4283 0.2878 0.0495 -0.0618 0.0403 446 VAL B CB 4946 C CG1 . VAL B 307 ? 0.6374 0.5400 0.3642 0.0415 -0.0638 0.0651 446 VAL B CG1 4947 C CG2 . VAL B 307 ? 0.6033 0.4738 0.3366 0.0684 -0.0686 0.0448 446 VAL B CG2 4948 N N . SER B 308 ? 0.5539 0.3878 0.3039 0.0044 -0.0550 0.0562 447 SER B N 4949 C CA . SER B 308 ? 0.6562 0.5084 0.4259 -0.0084 -0.0504 0.0549 447 SER B CA 4950 C C . SER B 308 ? 0.7032 0.5699 0.4669 -0.0213 -0.0526 0.0752 447 SER B C 4951 O O . SER B 308 ? 0.6594 0.5073 0.4017 -0.0243 -0.0578 0.0951 447 SER B O 4952 C CB . SER B 308 ? 0.7818 0.5998 0.5522 -0.0164 -0.0511 0.0547 447 SER B CB 4953 O OG . SER B 308 ? 0.9730 0.7459 0.7153 -0.0212 -0.0595 0.0648 447 SER B OG 4954 N N . ASN B 309 ? 0.6768 0.5772 0.4648 -0.0283 -0.0466 0.0709 448 ASN B N 4955 C CA . ASN B 309 ? 0.6431 0.5616 0.4321 -0.0420 -0.0460 0.0892 448 ASN B CA 4956 C C . ASN B 309 ? 0.6499 0.5379 0.4412 -0.0594 -0.0529 0.1020 448 ASN B C 4957 O O . ASN B 309 ? 0.5762 0.4607 0.3843 -0.0608 -0.0534 0.0936 448 ASN B O 4958 C CB . ASN B 309 ? 0.7018 0.6761 0.5204 -0.0403 -0.0352 0.0754 448 ASN B CB 4959 C CG . ASN B 309 ? 0.8208 0.8391 0.6332 -0.0264 -0.0299 0.0623 448 ASN B CG 4960 O OD1 . ASN B 309 ? 0.6936 0.7055 0.4769 -0.0185 -0.0353 0.0726 448 ASN B OD1 4961 N ND2 . ASN B 309 ? 1.1168 1.1834 0.9588 -0.0223 -0.0198 0.0385 448 ASN B ND2 4962 N N . ILE B 310 ? 0.7304 0.5981 0.5072 -0.0724 -0.0582 0.1230 449 ILE B N 4963 C CA . ILE B 310 ? 0.6730 0.5239 0.4584 -0.0919 -0.0658 0.1318 449 ILE B CA 4964 C C . ILE B 310 ? 0.7682 0.6666 0.5830 -0.1009 -0.0593 0.1370 449 ILE B C 4965 O O . ILE B 310 ? 0.7685 0.6898 0.5854 -0.1069 -0.0524 0.1517 449 ILE B O 4966 C CB . ILE B 310 ? 0.7178 0.5292 0.4880 -0.1054 -0.0723 0.1490 449 ILE B CB 4967 C CG1 . ILE B 310 ? 0.7836 0.5479 0.5290 -0.0940 -0.0769 0.1419 449 ILE B CG1 4968 C CG2 . ILE B 310 ? 0.6208 0.4217 0.4054 -0.1277 -0.0819 0.1516 449 ILE B CG2 4969 C CD1 . ILE B 310 ? 0.7272 0.4484 0.4645 -0.1039 -0.0805 0.1581 449 ILE B CD1 4970 N N . THR B 311 ? 0.6354 0.5505 0.4746 -0.1002 -0.0601 0.1269 450 THR B N 4971 C CA . THR B 311 ? 0.5772 0.5400 0.4521 -0.1045 -0.0524 0.1281 450 THR B CA 4972 C C . THR B 311 ? 0.6728 0.6370 0.5668 -0.1221 -0.0629 0.1390 450 THR B C 4973 O O . THR B 311 ? 0.5384 0.5425 0.4661 -0.1277 -0.0577 0.1430 450 THR B O 4974 C CB . THR B 311 ? 0.5344 0.5220 0.4363 -0.0879 -0.0431 0.1088 450 THR B CB 4975 O OG1 . THR B 311 ? 0.5791 0.5408 0.4833 -0.0840 -0.0508 0.1063 450 THR B OG1 4976 C CG2 . THR B 311 ? 0.4560 0.4511 0.3453 -0.0721 -0.0340 0.0924 450 THR B CG2 4977 N N . GLY B 312 ? 0.6510 0.5761 0.5253 -0.1302 -0.0779 0.1410 451 GLY B N 4978 C CA . GLY B 312 ? 0.5494 0.4794 0.4396 -0.1472 -0.0918 0.1470 451 GLY B CA 4979 C C . GLY B 312 ? 0.6605 0.5462 0.5239 -0.1602 -0.1072 0.1450 451 GLY B C 4980 O O . GLY B 312 ? 0.6601 0.5070 0.4917 -0.1520 -0.1071 0.1377 451 GLY B O 4981 N N . ILE B 313 ? 0.7300 0.6242 0.6105 -0.1808 -0.1203 0.1483 452 ILE B N 4982 C CA . ILE B 313 ? 0.7023 0.5590 0.5648 -0.1964 -0.1360 0.1398 452 ILE B CA 4983 C C . ILE B 313 ? 0.7068 0.5872 0.5806 -0.2056 -0.1561 0.1326 452 ILE B C 4984 O O . ILE B 313 ? 0.6969 0.6230 0.6068 -0.2113 -0.1590 0.1411 452 ILE B O 4985 C CB . ILE B 313 ? 0.7132 0.5533 0.5901 -0.2188 -0.1328 0.1494 452 ILE B CB 4986 C CG1 . ILE B 313 ? 0.7423 0.5714 0.6088 -0.2079 -0.1130 0.1638 452 ILE B CG1 4987 C CG2 . ILE B 313 ? 0.6911 0.4849 0.5542 -0.2341 -0.1470 0.1346 452 ILE B CG2 4988 C CD1 . ILE B 313 ? 0.8034 0.6163 0.6851 -0.2275 -0.1061 0.1819 452 ILE B CD1 4989 N N . LEU B 314 ? 0.7122 0.5663 0.5550 -0.2056 -0.1702 0.1165 453 LEU B N 4990 C CA . LEU B 314 ? 0.7676 0.6479 0.6130 -0.2143 -0.1926 0.1079 453 LEU B CA 4991 C C . LEU B 314 ? 0.8222 0.6835 0.6717 -0.2420 -0.2080 0.0908 453 LEU B C 4992 O O . LEU B 314 ? 0.8005 0.6129 0.6244 -0.2452 -0.2070 0.0753 453 LEU B O 4993 C CB . LEU B 314 ? 0.7380 0.6126 0.5441 -0.1944 -0.1975 0.1002 453 LEU B CB 4994 C CG . LEU B 314 ? 0.8831 0.7737 0.6923 -0.1681 -0.1818 0.1156 453 LEU B CG 4995 C CD1 . LEU B 314 ? 0.9300 0.8103 0.7002 -0.1509 -0.1838 0.1107 453 LEU B CD1 4996 C CD2 . LEU B 314 ? 0.8690 0.8130 0.7230 -0.1662 -0.1839 0.1330 453 LEU B CD2 4997 N N . LEU B 315 ? 0.7541 0.6548 0.6417 -0.2620 -0.2217 0.0918 454 LEU B N 4998 C CA . LEU B 315 ? 0.7581 0.6447 0.6632 -0.2923 -0.2355 0.0732 454 LEU B CA 4999 C C . LEU B 315 ? 0.8757 0.8054 0.7869 -0.3039 -0.2651 0.0547 454 LEU B C 5000 O O . LEU B 315 ? 0.9130 0.8956 0.8315 -0.2916 -0.2742 0.0664 454 LEU B O 5001 C CB . LEU B 315 ? 0.7538 0.6465 0.7092 -0.3129 -0.2228 0.0901 454 LEU B CB 5002 C CG . LEU B 315 ? 0.9031 0.7560 0.8516 -0.3051 -0.1955 0.1090 454 LEU B CG 5003 C CD1 . LEU B 315 ? 0.8906 0.7598 0.8882 -0.3261 -0.1823 0.1295 454 LEU B CD1 5004 C CD2 . LEU B 315 ? 0.8988 0.6843 0.8158 -0.3051 -0.1940 0.0936 454 LEU B CD2 5005 N N . THR B 316 ? 0.9156 0.8238 0.8263 -0.3269 -0.2803 0.0247 455 THR B N 5006 C CA . THR B 316 ? 0.9993 0.9531 0.9174 -0.3419 -0.3114 0.0003 455 THR B CA 5007 C C . THR B 316 ? 1.0920 1.0389 1.0605 -0.3804 -0.3202 -0.0206 455 THR B C 5008 O O . THR B 316 ? 1.1504 1.0388 1.1166 -0.3943 -0.3138 -0.0410 455 THR B O 5009 C CB . THR B 316 ? 1.0051 0.9477 0.8625 -0.3298 -0.3258 -0.0280 455 THR B CB 5010 O OG1 . THR B 316 ? 1.1077 0.9779 0.9419 -0.3317 -0.3116 -0.0466 455 THR B OG1 5011 C CG2 . THR B 316 ? 0.9456 0.9111 0.7628 -0.2946 -0.3206 -0.0046 455 THR B CG2 5012 N N . ARG B 317 ? 1.0865 1.0933 1.1070 -0.3973 -0.3337 -0.0153 456 ARG B N 5013 C CA . ARG B 317 ? 1.0640 1.0721 1.1449 -0.4344 -0.3390 -0.0332 456 ARG B CA 5014 C C . ARG B 317 ? 1.1560 1.1765 1.2308 -0.4425 -0.3615 -0.0828 456 ARG B C 5015 O O . ARG B 317 ? 1.1759 1.2384 1.2124 -0.4258 -0.3833 -0.0961 456 ARG B O 5016 C CB . ARG B 317 ? 0.9533 1.0270 1.0971 -0.4428 -0.3384 -0.0102 456 ARG B CB 5017 C CG . ARG B 317 ? 0.9172 0.9893 1.1305 -0.4724 -0.3281 -0.0206 456 ARG B CG 5018 C CD . ARG B 317 ? 0.9487 1.0845 1.2215 -0.4772 -0.3219 0.0057 456 ARG B CD 5019 N NE . ARG B 317 ? 0.9518 1.1646 1.2281 -0.4644 -0.3495 0.0004 456 ARG B NE 5020 C CZ . ARG B 317 ? 0.9673 1.2300 1.2803 -0.4768 -0.3714 -0.0288 456 ARG B CZ 5021 N NH1 . ARG B 317 ? 0.9872 1.2301 1.3412 -0.5053 -0.3683 -0.0591 456 ARG B NH1 5022 N NH2 . ARG B 317 ? 0.9719 1.3057 1.2843 -0.4595 -0.3956 -0.0279 456 ARG B NH2 5023 N N . ASP B 318 ? 1.2030 1.1897 1.3182 -0.4667 -0.3541 -0.1100 457 ASP B N 5024 C CA . ASP B 318 ? 1.1727 1.1711 1.2926 -0.4775 -0.3733 -0.1649 457 ASP B CA 5025 C C . ASP B 318 ? 1.1667 1.2443 1.3432 -0.4930 -0.3940 -0.1813 457 ASP B C 5026 O O . ASP B 318 ? 1.1367 1.2426 1.3666 -0.5038 -0.3857 -0.1533 457 ASP B O 5027 C CB . ASP B 318 ? 1.1193 1.0449 1.2672 -0.4963 -0.3541 -0.1905 457 ASP B CB 5028 C CG . ASP B 318 ? 1.3876 1.2346 1.4866 -0.4788 -0.3328 -0.1735 457 ASP B CG 5029 O OD1 . ASP B 318 ? 1.4197 1.2659 1.4753 -0.4576 -0.3281 -0.1355 457 ASP B OD1 5030 O OD2 . ASP B 318 ? 1.4498 1.2377 1.5593 -0.4859 -0.3199 -0.1994 457 ASP B OD2 5031 N N . GLY B 319 ? 1.2131 1.3301 1.3787 -0.4925 -0.4207 -0.2282 458 GLY B N 5032 C CA . GLY B 319 ? 1.2209 1.4147 1.4419 -0.5062 -0.4444 -0.2521 458 GLY B CA 5033 C C . GLY B 319 ? 1.2494 1.4228 1.5411 -0.5409 -0.4391 -0.2973 458 GLY B C 5034 O O . GLY B 319 ? 1.2503 1.3499 1.5415 -0.5515 -0.4177 -0.3125 458 GLY B O 5035 N N . GLY B 320 ? 1.3221 1.5613 1.6796 -0.5581 -0.4570 -0.3189 459 GLY B N 5036 C CA . GLY B 320 ? 1.3934 1.6230 1.8293 -0.5946 -0.4503 -0.3646 459 GLY B CA 5037 C C . GLY B 320 ? 1.4057 1.5801 1.8885 -0.6208 -0.4063 -0.3309 459 GLY B C 5038 O O . GLY B 320 ? 1.4145 1.5530 1.9360 -0.6551 -0.3837 -0.3560 459 GLY B O 5039 N N . ALA B 321 ? 1.4253 1.5916 1.8929 -0.6045 -0.3912 -0.2682 460 ALA B N 5040 C CA . ALA B 321 ? 1.4282 1.5448 1.9344 -0.6197 -0.3518 -0.2277 460 ALA B CA 5041 C C . ALA B 321 ? 1.4239 1.5977 2.0110 -0.6436 -0.3453 -0.2196 460 ALA B C 5042 O O . ALA B 321 ? 1.4156 1.5675 2.0342 -0.6518 -0.3136 -0.1786 460 ALA B O 5043 C CB . ALA B 321 ? 1.3243 1.4094 1.7761 -0.5906 -0.3366 -0.1691 460 ALA B CB 5044 N N . ASN B 322 ? 1.4240 1.6757 2.0438 -0.6530 -0.3753 -0.2590 461 ASN B N 5045 C CA . ASN B 322 ? 1.4703 1.7836 2.1700 -0.6777 -0.3709 -0.2586 461 ASN B CA 5046 C C . ASN B 322 ? 1.5452 1.8244 2.2932 -0.7281 -0.3434 -0.2826 461 ASN B C 5047 O O . ASN B 322 ? 1.5963 1.8024 2.3085 -0.7417 -0.3322 -0.2991 461 ASN B O 5048 C CB . ASN B 322 ? 1.5044 1.9168 2.2217 -0.6686 -0.4145 -0.2912 461 ASN B CB 5049 C CG . ASN B 322 ? 1.4722 1.9248 2.1413 -0.6265 -0.4341 -0.2499 461 ASN B CG 5050 O OD1 . ASN B 322 ? 1.4376 1.8701 2.0913 -0.6132 -0.4104 -0.1960 461 ASN B OD1 5051 N ND2 . ASN B 322 ? 1.4920 2.0028 2.1350 -0.6053 -0.4761 -0.2744 461 ASN B ND2 5052 N N . ASN B 323 ? 1.5548 1.8807 2.3668 -0.7549 -0.3335 -0.2741 462 ASN B N 5053 C CA . ASN B 323 ? 1.6300 1.9187 2.4724 -0.8064 -0.3111 -0.2728 462 ASN B CA 5054 C C . ASN B 323 ? 1.6439 1.8212 2.4683 -0.8160 -0.2754 -0.2480 462 ASN B C 5055 O O . ASN B 323 ? 1.7476 1.8642 2.5646 -0.8485 -0.2779 -0.2617 462 ASN B O 5056 C CB . ASN B 323 ? 1.6968 2.0078 2.5265 -0.8452 -0.3510 -0.3086 462 ASN B CB 5057 C CG . ASN B 323 ? 1.7413 2.0081 2.4922 -0.8370 -0.3820 -0.3361 462 ASN B CG 5058 O OD1 . ASN B 323 ? 1.7722 1.9470 2.5081 -0.8529 -0.3773 -0.3418 462 ASN B OD1 5059 N ND2 . ASN B 323 ? 1.7508 2.0829 2.4552 -0.8091 -0.4136 -0.3534 462 ASN B ND2 5060 N N . THR B 324 ? 1.5131 1.6585 2.3268 -0.7803 -0.2491 -0.2018 463 THR B N 5061 C CA . THR B 324 ? 1.4543 1.5027 2.2512 -0.7797 -0.2125 -0.1668 463 THR B CA 5062 C C . THR B 324 ? 1.3404 1.3887 2.1340 -0.7491 -0.1861 -0.1049 463 THR B C 5063 O O . THR B 324 ? 1.2440 1.3622 2.0481 -0.7318 -0.1968 -0.0897 463 THR B O 5064 C CB . THR B 324 ? 1.4093 1.3865 2.1421 -0.7631 -0.2198 -0.1871 463 THR B CB 5065 O OG1 . THR B 324 ? 1.4046 1.2896 2.1286 -0.7644 -0.1849 -0.1533 463 THR B OG1 5066 C CG2 . THR B 324 ? 1.2911 1.2891 1.9725 -0.7151 -0.2382 -0.1770 463 THR B CG2 5067 N N . SER B 325 ? 1.3978 1.3691 2.1713 -0.7427 -0.1530 -0.0673 464 SER B N 5068 C CA . SER B 325 ? 1.4107 1.3806 2.1664 -0.7150 -0.1276 -0.0075 464 SER B CA 5069 C C . SER B 325 ? 1.4193 1.3389 2.1015 -0.6781 -0.1303 0.0092 464 SER B C 5070 O O . SER B 325 ? 1.4690 1.3690 2.1231 -0.6566 -0.1065 0.0577 464 SER B O 5071 C CB . SER B 325 ? 1.4471 1.3811 2.2349 -0.7343 -0.0855 0.0311 464 SER B CB 5072 O OG . SER B 325 ? 1.4046 1.3449 2.1688 -0.7073 -0.0605 0.0866 464 SER B OG 5073 N N . ASN B 326 ? 1.3967 1.3000 2.0450 -0.6712 -0.1593 -0.0324 465 ASN B N 5074 C CA . ASN B 326 ? 1.3763 1.2297 1.9541 -0.6391 -0.1635 -0.0225 465 ASN B CA 5075 C C . ASN B 326 ? 1.3021 1.2026 1.8306 -0.6139 -0.1993 -0.0339 465 ASN B C 5076 O O . ASN B 326 ? 1.3330 1.2855 1.8736 -0.6219 -0.2299 -0.0731 465 ASN B O 5077 C CB . ASN B 326 ? 1.4833 1.2625 2.0500 -0.6488 -0.1613 -0.0571 465 ASN B CB 5078 C CG . ASN B 326 ? 1.5798 1.2969 2.1775 -0.6693 -0.1243 -0.0349 465 ASN B CG 5079 O OD1 . ASN B 326 ? 1.6162 1.3516 2.2493 -0.6799 -0.1011 0.0019 465 ASN B OD1 5080 N ND2 . ASN B 326 ? 1.6395 1.2826 2.2205 -0.6741 -0.1192 -0.0554 465 ASN B ND2 5081 N N . GLU B 327 ? 1.2972 1.1813 1.7669 -0.5835 -0.1946 0.0013 466 GLU B N 5082 C CA . GLU B 327 ? 1.2072 1.1233 1.6188 -0.5595 -0.2238 -0.0047 466 GLU B CA 5083 C C . GLU B 327 ? 1.1864 1.0383 1.5281 -0.5358 -0.2211 0.0005 466 GLU B C 5084 O O . GLU B 327 ? 1.0268 0.8473 1.3462 -0.5206 -0.1971 0.0399 466 GLU B O 5085 C CB . GLU B 327 ? 1.1033 1.0819 1.5153 -0.5464 -0.2210 0.0326 466 GLU B CB 5086 C CG . GLU B 327 ? 1.1181 1.1756 1.5906 -0.5625 -0.2333 0.0214 466 GLU B CG 5087 C CD . GLU B 327 ? 1.1407 1.2480 1.5974 -0.5571 -0.2741 -0.0147 466 GLU B CD 5088 O OE1 . GLU B 327 ? 0.9855 1.0649 1.3821 -0.5425 -0.2916 -0.0325 466 GLU B OE1 5089 O OE2 . GLU B 327 ? 1.1745 1.3523 1.6781 -0.5657 -0.2880 -0.0244 466 GLU B OE2 5090 N N . THR B 328 ? 1.2235 1.0612 1.5304 -0.5314 -0.2452 -0.0409 467 THR B N 5091 C CA . THR B 328 ? 1.2531 1.0297 1.4968 -0.5097 -0.2427 -0.0430 467 THR B CA 5092 C C . THR B 328 ? 1.2186 1.0207 1.3956 -0.4832 -0.2580 -0.0294 467 THR B C 5093 O O . THR B 328 ? 1.0053 0.8607 1.1659 -0.4799 -0.2850 -0.0489 467 THR B O 5094 C CB . THR B 328 ? 1.3742 1.1165 1.6142 -0.5173 -0.2545 -0.0979 467 THR B CB 5095 O OG1 . THR B 328 ? 1.4375 1.2437 1.6886 -0.5284 -0.2849 -0.1383 467 THR B OG1 5096 C CG2 . THR B 328 ? 1.4587 1.1493 1.7574 -0.5390 -0.2288 -0.1052 467 THR B CG2 5097 N N . PHE B 329 ? 1.1981 0.9643 1.3385 -0.4634 -0.2395 0.0048 468 PHE B N 5098 C CA . PHE B 329 ? 1.0914 0.8751 1.1737 -0.4386 -0.2479 0.0180 468 PHE B CA 5099 C C . PHE B 329 ? 1.1353 0.8590 1.1593 -0.4147 -0.2419 0.0066 468 PHE B C 5100 O O . PHE B 329 ? 1.1995 0.8625 1.2268 -0.4150 -0.2234 0.0162 468 PHE B O 5101 C CB . PHE B 329 ? 0.9333 0.7450 1.0237 -0.4235 -0.2247 0.0637 468 PHE B CB 5102 C CG . PHE B 329 ? 0.9530 0.8342 1.0973 -0.4403 -0.2293 0.0752 468 PHE B CG 5103 C CD1 . PHE B 329 ? 0.9879 0.8731 1.1934 -0.4656 -0.2164 0.0821 468 PHE B CD1 5104 C CD2 . PHE B 329 ? 0.9738 0.9184 1.1101 -0.4223 -0.2408 0.0791 468 PHE B CD2 5105 C CE1 . PHE B 329 ? 0.9367 0.8893 1.1938 -0.4767 -0.2173 0.0906 468 PHE B CE1 5106 C CE2 . PHE B 329 ? 0.9839 0.9946 1.1749 -0.4355 -0.2448 0.0895 468 PHE B CE2 5107 C CZ . PHE B 329 ? 0.9268 0.9428 1.1786 -0.4649 -0.2341 0.0945 468 PHE B CZ 5108 N N . ARG B 330 ? 1.0348 0.7778 1.0081 -0.3930 -0.2568 -0.0114 469 ARG B N 5109 C CA . ARG B 330 ? 1.0237 0.7181 0.9424 -0.3695 -0.2509 -0.0245 469 ARG B CA 5110 C C . ARG B 330 ? 1.0174 0.7378 0.8906 -0.3345 -0.2448 -0.0048 469 ARG B C 5111 O O . ARG B 330 ? 1.0201 0.7989 0.8920 -0.3282 -0.2562 0.0020 469 ARG B O 5112 C CB . ARG B 330 ? 1.2193 0.9033 1.1193 -0.3798 -0.2729 -0.0746 469 ARG B CB 5113 C CG . ARG B 330 ? 1.3540 1.0102 1.3065 -0.4103 -0.2744 -0.1021 469 ARG B CG 5114 C CD . ARG B 330 ? 1.5917 1.2305 1.5227 -0.4077 -0.2838 -0.1553 469 ARG B CD 5115 N NE . ARG B 330 ? 1.7441 1.4505 1.6547 -0.4087 -0.3113 -0.1844 469 ARG B NE 5116 C CZ . ARG B 330 ? 1.8399 1.5824 1.7906 -0.4293 -0.3264 -0.2218 469 ARG B CZ 5117 N NH1 . ARG B 330 ? 1.8507 1.5631 1.8673 -0.4534 -0.3147 -0.2359 469 ARG B NH1 5118 N NH2 . ARG B 330 ? 1.8803 1.6915 1.8076 -0.4248 -0.3521 -0.2445 469 ARG B NH2 5119 N N . PRO B 331 ? 1.0162 0.6937 0.8576 -0.3111 -0.2262 0.0049 470 PRO B N 5120 C CA . PRO B 331 ? 0.9892 0.6862 0.7939 -0.2793 -0.2179 0.0206 470 PRO B CA 5121 C C . PRO B 331 ? 1.0288 0.7407 0.7905 -0.2670 -0.2326 -0.0036 470 PRO B C 5122 O O . PRO B 331 ? 1.1315 0.8243 0.8796 -0.2781 -0.2453 -0.0370 470 PRO B O 5123 C CB . PRO B 331 ? 0.8524 0.4970 0.6419 -0.2627 -0.1965 0.0312 470 PRO B CB 5124 C CG . PRO B 331 ? 0.9083 0.4984 0.7076 -0.2797 -0.1990 0.0089 470 PRO B CG 5125 C CD . PRO B 331 ? 0.9964 0.6056 0.8411 -0.3133 -0.2120 0.0020 470 PRO B CD 5126 N N . GLY B 332 ? 1.0870 0.8337 0.8292 -0.2442 -0.2294 0.0130 471 GLY B N 5127 C CA . GLY B 332 ? 1.2747 1.0403 0.9748 -0.2299 -0.2397 -0.0010 471 GLY B CA 5128 C C . GLY B 332 ? 1.4082 1.2387 1.1177 -0.2340 -0.2601 0.0050 471 GLY B C 5129 O O . GLY B 332 ? 1.4045 1.2685 1.1559 -0.2416 -0.2620 0.0249 471 GLY B O 5130 N N . GLY B 333 ? 1.5096 1.3620 1.1799 -0.2273 -0.2751 -0.0114 472 GLY B N 5131 C CA . GLY B 333 ? 1.4953 1.4147 1.1682 -0.2263 -0.2967 -0.0027 472 GLY B CA 5132 C C . GLY B 333 ? 1.4621 1.4112 1.1472 -0.2023 -0.2845 0.0378 472 GLY B C 5133 O O . GLY B 333 ? 1.4143 1.4194 1.1180 -0.1991 -0.2990 0.0552 472 GLY B O 5134 N N . GLY B 334 ? 1.4777 1.3900 1.1569 -0.1848 -0.2579 0.0515 473 GLY B N 5135 C CA . GLY B 334 ? 1.4352 1.3675 1.1356 -0.1637 -0.2423 0.0847 473 GLY B CA 5136 C C . GLY B 334 ? 1.4313 1.3780 1.0982 -0.1390 -0.2377 0.0985 473 GLY B C 5137 O O . GLY B 334 ? 1.4809 1.3932 1.1174 -0.1263 -0.2207 0.0934 473 GLY B O 5138 N N . ASN B 335 ? 1.3412 1.0482 1.3365 -0.2654 -0.0940 -0.2019 474 ASN B N 5139 C CA . ASN B 335 ? 1.0843 0.8272 1.0057 -0.2396 -0.1115 -0.2011 474 ASN B CA 5140 C C . ASN B 335 ? 0.9619 0.6941 0.8589 -0.2082 -0.0976 -0.1461 474 ASN B C 5141 O O . ASN B 335 ? 0.8948 0.6356 0.8227 -0.2071 -0.0908 -0.1103 474 ASN B O 5142 C CB . ASN B 335 ? 1.0579 0.8824 0.9734 -0.2473 -0.1449 -0.2126 474 ASN B CB 5143 C CG . ASN B 335 ? 1.2213 1.0835 1.0615 -0.2220 -0.1624 -0.2143 474 ASN B CG 5144 O OD1 . ASN B 335 ? 1.3078 1.1425 1.1045 -0.1955 -0.1479 -0.1908 474 ASN B OD1 5145 N ND2 . ASN B 335 ? 1.2912 1.2216 1.1189 -0.2299 -0.1934 -0.2399 474 ASN B ND2 5146 N N . ILE B 336 ? 0.8777 0.5943 0.7217 -0.1836 -0.0923 -0.1419 475 ILE B N 5147 C CA . ILE B 336 ? 0.7681 0.4731 0.5940 -0.1566 -0.0795 -0.0975 475 ILE B CA 5148 C C . ILE B 336 ? 0.7971 0.5504 0.6214 -0.1478 -0.0920 -0.0668 475 ILE B C 5149 O O . ILE B 336 ? 0.7839 0.5310 0.6140 -0.1337 -0.0813 -0.0330 475 ILE B O 5150 C CB . ILE B 336 ? 0.8519 0.5430 0.6270 -0.1347 -0.0734 -0.1016 475 ILE B CB 5151 C CG1 . ILE B 336 ? 1.0421 0.6867 0.8205 -0.1408 -0.0587 -0.1361 475 ILE B CG1 5152 C CG2 . ILE B 336 ? 0.6468 0.3260 0.4154 -0.1114 -0.0604 -0.0617 475 ILE B CG2 5153 C CD1 . ILE B 336 ? 1.1276 0.7194 0.9537 -0.1431 -0.0360 -0.1215 475 ILE B CD1 5154 N N . LYS B 337 ? 0.7662 0.5707 0.5840 -0.1548 -0.1149 -0.0805 476 LYS B N 5155 C CA . LYS B 337 ? 0.6093 0.4612 0.4343 -0.1455 -0.1260 -0.0535 476 LYS B CA 5156 C C . LYS B 337 ? 0.6364 0.4892 0.5144 -0.1562 -0.1157 -0.0343 476 LYS B C 5157 O O . LYS B 337 ? 0.6135 0.4834 0.4956 -0.1412 -0.1116 -0.0049 476 LYS B O 5158 C CB . LYS B 337 ? 0.6793 0.5920 0.4956 -0.1510 -0.1539 -0.0718 476 LYS B CB 5159 C CG . LYS B 337 ? 0.9026 0.8237 0.6594 -0.1382 -0.1632 -0.0875 476 LYS B CG 5160 C CD . LYS B 337 ? 1.0367 1.0270 0.7824 -0.1435 -0.1939 -0.1074 476 LYS B CD 5161 C CE . LYS B 337 ? 1.1105 1.1491 0.8426 -0.1176 -0.2052 -0.0693 476 LYS B CE 5162 N NZ . LYS B 337 ? 1.1110 1.1606 0.8954 -0.1169 -0.2011 -0.0417 476 LYS B NZ 5163 N N . ASP B 338 ? 0.6164 0.4494 0.5364 -0.1817 -0.1086 -0.0516 477 ASP B N 5164 C CA . ASP B 338 ? 0.7269 0.5600 0.7005 -0.1933 -0.0935 -0.0296 477 ASP B CA 5165 C C . ASP B 338 ? 0.7129 0.5139 0.6750 -0.1719 -0.0703 0.0079 477 ASP B C 5166 O O . ASP B 338 ? 0.6572 0.4763 0.6426 -0.1687 -0.0596 0.0357 477 ASP B O 5167 C CB . ASP B 338 ? 0.6998 0.5072 0.7263 -0.2259 -0.0854 -0.0539 477 ASP B CB 5168 C CG . ASP B 338 ? 0.7615 0.6133 0.8095 -0.2517 -0.1115 -0.0962 477 ASP B CG 5169 O OD1 . ASP B 338 ? 0.8030 0.7187 0.8436 -0.2455 -0.1335 -0.0929 477 ASP B OD1 5170 O OD2 . ASP B 338 ? 0.8102 0.6349 0.8847 -0.2774 -0.1104 -0.1342 477 ASP B OD2 5171 N N . ASN B 339 ? 0.6536 0.4138 0.5802 -0.1566 -0.0629 0.0074 478 ASN B N 5172 C CA . ASN B 339 ? 0.6974 0.4371 0.6101 -0.1347 -0.0462 0.0393 478 ASN B CA 5173 C C . ASN B 339 ? 0.6636 0.4411 0.5561 -0.1157 -0.0524 0.0583 478 ASN B C 5174 O O . ASN B 339 ? 0.6195 0.4043 0.5177 -0.1055 -0.0406 0.0835 478 ASN B O 5175 C CB . ASN B 339 ? 0.6904 0.3905 0.5731 -0.1210 -0.0405 0.0322 478 ASN B CB 5176 C CG . ASN B 339 ? 0.7976 0.4505 0.7056 -0.1342 -0.0272 0.0171 478 ASN B CG 5177 O OD1 . ASN B 339 ? 0.8344 0.4844 0.7722 -0.1589 -0.0303 -0.0072 478 ASN B OD1 5178 N ND2 . ASN B 339 ? 0.6296 0.2463 0.5313 -0.1175 -0.0121 0.0298 478 ASN B ND2 5179 N N . TRP B 340 ? 0.6306 0.4323 0.4994 -0.1097 -0.0694 0.0461 479 TRP B N 5180 C CA . TRP B 340 ? 0.7047 0.5354 0.5613 -0.0913 -0.0733 0.0613 479 TRP B CA 5181 C C . TRP B 340 ? 0.6029 0.4756 0.4934 -0.0972 -0.0751 0.0701 479 TRP B C 5182 O O . TRP B 340 ? 0.6181 0.5096 0.5096 -0.0822 -0.0693 0.0854 479 TRP B O 5183 C CB . TRP B 340 ? 0.5988 0.4384 0.4245 -0.0802 -0.0866 0.0530 479 TRP B CB 5184 C CG . TRP B 340 ? 0.6197 0.4275 0.4165 -0.0794 -0.0852 0.0389 479 TRP B CG 5185 C CD1 . TRP B 340 ? 0.5745 0.3912 0.3461 -0.0798 -0.0962 0.0239 479 TRP B CD1 5186 C CD2 . TRP B 340 ? 0.5488 0.3174 0.3389 -0.0754 -0.0710 0.0398 479 TRP B CD2 5187 N NE1 . TRP B 340 ? 0.6570 0.4405 0.4066 -0.0770 -0.0869 0.0134 479 TRP B NE1 5188 C CE2 . TRP B 340 ? 0.6862 0.4395 0.4505 -0.0742 -0.0719 0.0230 479 TRP B CE2 5189 C CE3 . TRP B 340 ? 0.6448 0.3957 0.4474 -0.0700 -0.0577 0.0549 479 TRP B CE3 5190 C CZ2 . TRP B 340 ? 0.7364 0.4555 0.4939 -0.0683 -0.0586 0.0198 479 TRP B CZ2 5191 C CZ3 . TRP B 340 ? 0.6642 0.3837 0.4594 -0.0633 -0.0477 0.0540 479 TRP B CZ3 5192 C CH2 . TRP B 340 ? 0.7370 0.4399 0.5132 -0.0627 -0.0476 0.0360 479 TRP B CH2 5193 N N . ARG B 341 ? 0.6114 0.5010 0.5337 -0.1197 -0.0822 0.0572 480 ARG B N 5194 C CA . ARG B 341 ? 0.6646 0.6002 0.6304 -0.1283 -0.0828 0.0651 480 ARG B CA 5195 C C . ARG B 341 ? 0.6436 0.5734 0.6310 -0.1272 -0.0579 0.0898 480 ARG B C 5196 O O . ARG B 341 ? 0.5831 0.5508 0.5906 -0.1202 -0.0513 0.1047 480 ARG B O 5197 C CB . ARG B 341 ? 0.6650 0.6212 0.6688 -0.1577 -0.0960 0.0415 480 ARG B CB 5198 C CG . ARG B 341 ? 0.6686 0.6464 0.6473 -0.1580 -0.1232 0.0161 480 ARG B CG 5199 C CD . ARG B 341 ? 0.6764 0.6911 0.6985 -0.1881 -0.1403 -0.0122 480 ARG B CD 5200 N NE . ARG B 341 ? 0.7403 0.7739 0.7277 -0.1889 -0.1664 -0.0416 480 ARG B NE 5201 C CZ . ARG B 341 ? 0.8416 0.9293 0.8086 -0.1717 -0.1889 -0.0368 480 ARG B CZ 5202 N NH1 . ARG B 341 ? 0.7783 0.9011 0.7624 -0.1527 -0.1876 -0.0064 480 ARG B NH1 5203 N NH2 . ARG B 341 ? 0.9561 1.0642 0.8848 -0.1710 -0.2111 -0.0614 480 ARG B NH2 5204 N N . SER B 342 ? 0.5721 0.4571 0.5546 -0.1311 -0.0426 0.0963 481 SER B N 5205 C CA . SER B 342 ? 0.6339 0.5143 0.6322 -0.1280 -0.0175 0.1257 481 SER B CA 5206 C C . SER B 342 ? 0.6080 0.5021 0.5697 -0.0990 -0.0110 0.1427 481 SER B C 5207 O O . SER B 342 ? 0.6217 0.5256 0.5862 -0.0910 0.0087 0.1677 481 SER B O 5208 C CB . SER B 342 ? 0.6535 0.4813 0.6573 -0.1355 -0.0030 0.1321 481 SER B CB 5209 O OG . SER B 342 ? 0.6638 0.4610 0.6225 -0.1170 -0.0079 0.1276 481 SER B OG 5210 N N . GLU B 343 ? 0.6342 0.5299 0.5622 -0.0835 -0.0264 0.1282 482 GLU B N 5211 C CA . GLU B 343 ? 0.6207 0.5275 0.5191 -0.0589 -0.0224 0.1342 482 GLU B CA 5212 C C . GLU B 343 ? 0.5490 0.4890 0.4529 -0.0490 -0.0306 0.1259 482 GLU B C 5213 O O . GLU B 343 ? 0.5270 0.4858 0.4224 -0.0316 -0.0224 0.1289 482 GLU B O 5214 C CB . GLU B 343 ? 0.5790 0.4529 0.4415 -0.0479 -0.0285 0.1261 482 GLU B CB 5215 C CG . GLU B 343 ? 0.6558 0.5019 0.5127 -0.0484 -0.0181 0.1395 482 GLU B CG 5216 C CD . GLU B 343 ? 0.6609 0.5277 0.5113 -0.0353 -0.0022 0.1634 482 GLU B CD 5217 O OE1 . GLU B 343 ? 0.7642 0.6610 0.5984 -0.0207 -0.0024 0.1598 482 GLU B OE1 5218 O OE2 . GLU B 343 ? 0.7136 0.5668 0.5747 -0.0382 0.0118 0.1862 482 GLU B OE2 5219 N N . LEU B 344 ? 0.4946 0.4439 0.4131 -0.0583 -0.0465 0.1149 483 LEU B N 5220 C CA . LEU B 344 ? 0.5723 0.5523 0.4994 -0.0453 -0.0553 0.1121 483 LEU B CA 5221 C C . LEU B 344 ? 0.5289 0.5583 0.5022 -0.0529 -0.0542 0.1184 483 LEU B C 5222 O O . LEU B 344 ? 0.5971 0.6593 0.5869 -0.0411 -0.0623 0.1190 483 LEU B O 5223 C CB . LEU B 344 ? 0.5195 0.4889 0.4298 -0.0446 -0.0746 0.1017 483 LEU B CB 5224 C CG . LEU B 344 ? 0.5735 0.5015 0.4457 -0.0346 -0.0742 0.0970 483 LEU B CG 5225 C CD1 . LEU B 344 ? 0.6453 0.5660 0.4999 -0.0383 -0.0892 0.0897 483 LEU B CD1 5226 C CD2 . LEU B 344 ? 0.5276 0.4547 0.3955 -0.0127 -0.0669 0.0999 483 LEU B CD2 5227 N N . TYR B 345 ? 0.5473 0.5832 0.5474 -0.0716 -0.0424 0.1259 484 TYR B N 5228 C CA . TYR B 345 ? 0.6151 0.7007 0.6703 -0.0848 -0.0397 0.1315 484 TYR B CA 5229 C C . TYR B 345 ? 0.6085 0.7371 0.6801 -0.0630 -0.0269 0.1425 484 TYR B C 5230 O O . TYR B 345 ? 0.5094 0.6892 0.6278 -0.0660 -0.0308 0.1447 484 TYR B O 5231 C CB . TYR B 345 ? 0.6208 0.6970 0.7059 -0.1089 -0.0216 0.1423 484 TYR B CB 5232 C CG . TYR B 345 ? 0.7116 0.7790 0.7796 -0.0953 0.0071 0.1658 484 TYR B CG 5233 C CD1 . TYR B 345 ? 0.8113 0.8333 0.8319 -0.0850 0.0120 0.1700 484 TYR B CD1 5234 C CD2 . TYR B 345 ? 0.6265 0.7383 0.7250 -0.0908 0.0293 0.1846 484 TYR B CD2 5235 C CE1 . TYR B 345 ? 0.7841 0.8084 0.7837 -0.0698 0.0349 0.1921 484 TYR B CE1 5236 C CE2 . TYR B 345 ? 0.6919 0.8031 0.7660 -0.0755 0.0558 0.2068 484 TYR B CE2 5237 C CZ . TYR B 345 ? 0.7132 0.7822 0.7358 -0.0648 0.0568 0.2104 484 TYR B CZ 5238 O OH . TYR B 345 ? 0.7698 0.8480 0.7632 -0.0472 0.0800 0.2330 484 TYR B OH 5239 N N . LYS B 346 ? 0.4958 0.6074 0.5316 -0.0405 -0.0121 0.1462 485 LYS B N 5240 C CA . LYS B 346 ? 0.5129 0.6609 0.5605 -0.0184 0.0048 0.1513 485 LYS B CA 5241 C C . LYS B 346 ? 0.5755 0.7231 0.6152 0.0062 -0.0056 0.1397 485 LYS B C 5242 O O . LYS B 346 ? 0.6148 0.7864 0.6658 0.0279 0.0089 0.1387 485 LYS B O 5243 C CB . LYS B 346 ? 0.5603 0.6987 0.5743 -0.0070 0.0288 0.1581 485 LYS B CB 5244 C CG . LYS B 346 ? 0.6628 0.7554 0.6221 0.0037 0.0212 0.1450 485 LYS B CG 5245 C CD . LYS B 346 ? 0.6315 0.7315 0.5565 0.0193 0.0411 0.1479 485 LYS B CD 5246 C CE . LYS B 346 ? 0.7638 0.8732 0.6925 0.0072 0.0587 0.1759 485 LYS B CE 5247 N NZ . LYS B 346 ? 0.7696 0.8979 0.6578 0.0268 0.0779 0.1832 485 LYS B NZ 5248 N N . TYR B 347 ? 0.5101 0.6294 0.5323 0.0041 -0.0276 0.1320 486 TYR B N 5249 C CA . TYR B 347 ? 0.4903 0.6009 0.5069 0.0277 -0.0343 0.1274 486 TYR B CA 5250 C C . TYR B 347 ? 0.4957 0.6363 0.5392 0.0290 -0.0555 0.1347 486 TYR B C 5251 O O . TYR B 347 ? 0.6056 0.7618 0.6570 0.0072 -0.0720 0.1342 486 TYR B O 5252 C CB . TYR B 347 ? 0.4644 0.5193 0.4360 0.0305 -0.0384 0.1174 486 TYR B CB 5253 C CG . TYR B 347 ? 0.4556 0.4881 0.3980 0.0315 -0.0233 0.1085 486 TYR B CG 5254 C CD1 . TYR B 347 ? 0.4798 0.5177 0.4198 0.0512 -0.0072 0.0977 486 TYR B CD1 5255 C CD2 . TYR B 347 ? 0.4524 0.4613 0.3695 0.0149 -0.0256 0.1094 486 TYR B CD2 5256 C CE1 . TYR B 347 ? 0.5590 0.5873 0.4673 0.0533 0.0028 0.0871 486 TYR B CE1 5257 C CE2 . TYR B 347 ? 0.5289 0.5266 0.4185 0.0193 -0.0147 0.1050 486 TYR B CE2 5258 C CZ . TYR B 347 ? 0.5349 0.5461 0.4176 0.0381 -0.0022 0.0934 486 TYR B CZ 5259 O OH . TYR B 347 ? 0.6029 0.6136 0.4536 0.0435 0.0049 0.0867 486 TYR B OH 5260 N N . LYS B 348 ? 0.4868 0.6367 0.5451 0.0559 -0.0547 0.1405 487 LYS B N 5261 C CA . LYS B 348 ? 0.5500 0.7274 0.6251 0.0654 -0.0758 0.1532 487 LYS B CA 5262 C C . LYS B 348 ? 0.6099 0.7685 0.6904 0.0993 -0.0678 0.1627 487 LYS B C 5263 O O . LYS B 348 ? 0.5939 0.7371 0.6848 0.1156 -0.0454 0.1554 487 LYS B O 5264 C CB . LYS B 348 ? 0.5467 0.7978 0.6743 0.0599 -0.0854 0.1608 487 LYS B CB 5265 C CG . LYS B 348 ? 0.6566 0.9453 0.8312 0.0857 -0.0675 0.1696 487 LYS B CG 5266 C CD . LYS B 348 ? 0.6014 0.9719 0.8346 0.0833 -0.0828 0.1804 487 LYS B CD 5267 C CE . LYS B 348 ? 0.5008 0.9113 0.7851 0.1160 -0.0651 0.1921 487 LYS B CE 5268 N NZ . LYS B 348 ? 0.5090 1.0093 0.8585 0.1153 -0.0821 0.2042 487 LYS B NZ 5269 N N . VAL B 349 ? 0.5536 0.7131 0.6273 0.1105 -0.0844 0.1788 488 VAL B N 5270 C CA . VAL B 349 ? 0.6214 0.7528 0.7027 0.1421 -0.0742 0.1940 488 VAL B CA 5271 C C . VAL B 349 ? 0.7092 0.8937 0.8415 0.1717 -0.0770 0.2173 488 VAL B C 5272 O O . VAL B 349 ? 0.7826 1.0273 0.9281 0.1702 -0.1008 0.2316 488 VAL B O 5273 C CB . VAL B 349 ? 0.6756 0.7727 0.7182 0.1421 -0.0848 0.2066 488 VAL B CB 5274 C CG1 . VAL B 349 ? 0.6238 0.6890 0.6838 0.1746 -0.0701 0.2286 488 VAL B CG1 5275 C CG2 . VAL B 349 ? 0.6701 0.7167 0.6694 0.1163 -0.0802 0.1843 488 VAL B CG2 5276 N N . VAL B 350 ? 0.6731 0.8381 0.8369 0.1993 -0.0530 0.2187 489 VAL B N 5277 C CA . VAL B 350 ? 0.6738 0.8815 0.8916 0.2346 -0.0512 0.2442 489 VAL B CA 5278 C C . VAL B 350 ? 0.6771 0.8295 0.9076 0.2674 -0.0331 0.2612 489 VAL B C 5279 O O . VAL B 350 ? 0.6216 0.7043 0.8336 0.2620 -0.0141 0.2413 489 VAL B O 5280 C CB . VAL B 350 ? 0.6485 0.8973 0.9129 0.2423 -0.0335 0.2310 489 VAL B CB 5281 C CG1 . VAL B 350 ? 0.5815 0.8895 0.8478 0.2102 -0.0486 0.2217 489 VAL B CG1 5282 C CG2 . VAL B 350 ? 0.5974 0.7893 0.8524 0.2451 -0.0015 0.2003 489 VAL B CG2 5283 N N . GLN B 351 ? 0.7483 0.9320 1.0127 0.2983 -0.0388 0.2958 490 GLN B N 5284 C CA . GLN B 351 ? 0.7790 0.9039 1.0552 0.3191 -0.0180 0.3057 490 GLN B CA 5285 C C . GLN B 351 ? 0.7389 0.8667 1.0748 0.3484 0.0070 0.3000 490 GLN B C 5286 O O . GLN B 351 ? 0.8206 1.0143 1.1917 0.3624 -0.0008 0.3122 490 GLN B O 5287 C CB . GLN B 351 ? 0.9342 1.0782 1.1927 0.3237 -0.0360 0.3371 490 GLN B CB 5288 C CG . GLN B 351 ? 1.0214 1.1073 1.2942 0.3435 -0.0133 0.3541 490 GLN B CG 5289 C CD . GLN B 351 ? 1.0305 1.1400 1.2811 0.3504 -0.0285 0.3891 490 GLN B CD 5290 O OE1 . GLN B 351 ? 0.9943 1.1726 1.2280 0.3465 -0.0573 0.3987 490 GLN B OE1 5291 N NE2 . GLN B 351 ? 1.0633 1.1183 1.3157 0.3602 -0.0085 0.4070 490 GLN B NE2 5292 N N . ILE B 352 ? 0.7942 0.8517 1.1426 0.3558 0.0372 0.2769 491 ILE B N 5293 C CA . ILE B 352 ? 0.9192 0.9697 1.3201 0.3823 0.0644 0.2624 491 ILE B CA 5294 C C . ILE B 352 ? 0.9631 0.9982 1.3925 0.4053 0.0701 0.2907 491 ILE B C 5295 O O . ILE B 352 ? 0.9578 0.9392 1.3717 0.4010 0.0737 0.3034 491 ILE B O 5296 C CB . ILE B 352 ? 0.9707 0.9544 1.3725 0.3791 0.0940 0.2159 491 ILE B CB 5297 C CG1 . ILE B 352 ? 0.9799 0.8868 1.3511 0.3597 0.0957 0.2104 491 ILE B CG1 5298 C CG2 . ILE B 352 ? 0.6846 0.7015 1.0646 0.3633 0.0943 0.1861 491 ILE B CG2 5299 C CD1 . ILE B 352 ? 0.9836 0.8301 1.3530 0.3502 0.1191 0.1578 491 ILE B CD1 5300 N N . GLU B 353 ? 1.0189 1.1050 1.4929 0.4302 0.0725 0.3026 492 GLU B N 5301 C CA . GLU B 353 ? 1.1453 1.2275 1.6496 0.4565 0.0767 0.3354 492 GLU B CA 5302 C C . GLU B 353 ? 1.0959 1.1974 1.6604 0.4869 0.0978 0.3264 492 GLU B C 5303 O O . GLU B 353 ? 1.0021 1.1328 1.5825 0.4866 0.1071 0.2962 492 GLU B O 5304 C CB . GLU B 353 ? 1.2497 1.3985 1.7351 0.4559 0.0430 0.3771 492 GLU B CB 5305 C CG . GLU B 353 ? 1.2669 1.5127 1.7678 0.4536 0.0203 0.3770 492 GLU B CG 5306 C CD . GLU B 353 ? 1.2601 1.5556 1.7139 0.4271 -0.0171 0.3875 492 GLU B CD 5307 O OE1 . GLU B 353 ? 1.2671 1.5171 1.6694 0.4064 -0.0220 0.3849 492 GLU B OE1 5308 O OE2 . GLU B 353 ? 1.2186 1.5994 1.6889 0.4255 -0.0414 0.3950 492 GLU B OE2 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 VAL 1 44 44 VAL VAL A . n A 1 2 TRP 2 45 45 TRP TRP A . n A 1 3 LYS 3 46 46 LYS LYS A . n A 1 4 ASP 4 47 47 ASP ASP A . n A 1 5 ALA 5 48 48 ALA ALA A . n A 1 6 ASP 6 49 49 ASP ASP A . n A 1 7 THR 7 50 50 THR THR A . n A 1 8 THR 8 51 51 THR THR A . n A 1 9 LEU 9 52 52 LEU LEU A . n A 1 10 PHE 10 53 53 PHE PHE A . n A 1 11 CYS 11 54 54 CYS CYS A . n A 1 12 ALA 12 55 55 ALA ALA A . n A 1 13 SER 13 56 56 SER SER A . n A 1 14 ASP 14 57 57 ASP ASP A . n A 1 15 ALA 15 58 58 ALA ALA A . n A 1 16 LYS 16 59 59 LYS LYS A . n A 1 17 ALA 17 60 60 ALA ALA A . n A 1 18 HIS 18 61 61 HIS HIS A . n A 1 19 GLU 19 62 62 GLU GLU A . n A 1 20 THR 20 63 63 THR THR A . n A 1 21 GLU 21 64 64 GLU GLU A . n A 1 22 VAL 22 65 65 VAL VAL A . n A 1 23 HIS 23 66 66 HIS HIS A . n A 1 24 ASN 24 67 67 ASN ASN A . n A 1 25 VAL 25 68 68 VAL VAL A . n A 1 26 TRP 26 69 69 TRP TRP A . n A 1 27 ALA 27 70 70 ALA ALA A . n A 1 28 THR 28 71 71 THR THR A . n A 1 29 HIS 29 72 72 HIS HIS A . n A 1 30 ALA 30 73 73 ALA ALA A . n A 1 31 CYS 31 74 74 CYS CYS A . n A 1 32 VAL 32 75 75 VAL VAL A . n A 1 33 PRO 33 76 76 PRO PRO A . n A 1 34 THR 34 77 77 THR THR A . n A 1 35 ASP 35 78 78 ASP ASP A . n A 1 36 PRO 36 79 79 PRO PRO A . n A 1 37 ASN 37 80 80 ASN ASN A . n A 1 38 PRO 38 81 81 PRO PRO A . n A 1 39 GLN 39 82 82 GLN GLN A . n A 1 40 GLU 40 83 83 GLU GLU A . n A 1 41 ILE 41 84 84 ILE ILE A . n A 1 42 HIS 42 85 85 HIS HIS A . n A 1 43 LEU 43 86 86 LEU LEU A . n A 1 44 GLU 44 87 87 GLU GLU A . n A 1 45 ASN 45 88 88 ASN ASN A . n A 1 46 VAL 46 89 89 VAL VAL A . n A 1 47 THR 47 90 90 THR THR A . n A 1 48 GLU 48 91 91 GLU GLU A . n A 1 49 ASN 49 92 92 ASN ASN A . n A 1 50 PHE 50 93 93 PHE PHE A . n A 1 51 ASN 51 94 94 ASN ASN A . n A 1 52 MET 52 95 95 MET MET A . n A 1 53 TRP 53 96 96 TRP TRP A . n A 1 54 LYS 54 97 97 LYS LYS A . n A 1 55 ASN 55 98 98 ASN ASN A . n A 1 56 ASN 56 99 99 ASN ASN A . n A 1 57 MET 57 100 100 MET MET A . n A 1 58 VAL 58 101 101 VAL VAL A . n A 1 59 GLU 59 102 102 GLU GLU A . n A 1 60 GLN 60 103 103 GLN GLN A . n A 1 61 MET 61 104 104 MET MET A . n A 1 62 GLN 62 105 105 GLN GLN A . n A 1 63 GLU 63 106 106 GLU GLU A . n A 1 64 ASP 64 107 107 ASP ASP A . n A 1 65 VAL 65 108 108 VAL VAL A . n A 1 66 ILE 66 109 109 ILE ILE A . n A 1 67 SER 67 110 110 SER SER A . n A 1 68 LEU 68 111 111 LEU LEU A . n A 1 69 TRP 69 112 112 TRP TRP A . n A 1 70 ASP 70 113 113 ASP ASP A . n A 1 71 GLN 71 114 114 GLN GLN A . n A 1 72 SER 72 115 115 SER SER A . n A 1 73 LEU 73 116 116 LEU LEU A . n A 1 74 GLN 74 117 117 GLN GLN A . n A 1 75 PRO 75 118 118 PRO PRO A . n A 1 76 CYS 76 119 119 CYS CYS A . n A 1 77 VAL 77 120 120 VAL VAL A . n A 1 78 LYS 78 121 121 LYS LYS A . n A 1 79 LEU 79 122 122 LEU LEU A . n A 1 80 THR 80 123 123 THR THR A . n A 1 81 GLY 81 124 124 GLY GLY A . n A 1 82 GLY 82 198 198 GLY GLY A . n A 1 83 SER 83 199 199 SER SER A . n A 1 84 VAL 84 200 200 VAL VAL A . n A 1 85 ILE 85 201 201 ILE ILE A . n A 1 86 LYS 86 202 202 LYS LYS A . n A 1 87 GLN 87 203 203 GLN GLN A . n A 1 88 ALA 88 204 204 ALA ALA A . n A 1 89 CYS 89 205 205 CYS CYS A . n A 1 90 PRO 90 206 206 PRO PRO A . n A 1 91 LYS 91 207 207 LYS LYS A . n A 1 92 ILE 92 208 208 ILE ILE A . n A 1 93 SER 93 209 209 SER SER A . n A 1 94 PHE 94 210 210 PHE PHE A . n A 1 95 ASP 95 211 211 ASP ASP A . n A 1 96 PRO 96 212 212 PRO PRO A . n A 1 97 ILE 97 213 213 ILE ILE A . n A 1 98 PRO 98 214 214 PRO PRO A . n A 1 99 ILE 99 215 215 ILE ILE A . n A 1 100 HIS 100 216 216 HIS HIS A . n A 1 101 TYR 101 217 217 TYR TYR A . n A 1 102 CYS 102 218 218 CYS CYS A . n A 1 103 THR 103 219 219 THR THR A . n A 1 104 PRO 104 220 220 PRO PRO A . n A 1 105 ALA 105 221 221 ALA ALA A . n A 1 106 GLY 106 222 222 GLY GLY A . n A 1 107 TYR 107 223 223 TYR TYR A . n A 1 108 VAL 108 224 224 VAL VAL A . n A 1 109 ILE 109 225 225 ILE ILE A . n A 1 110 LEU 110 226 226 LEU LEU A . n A 1 111 LYS 111 227 227 LYS LYS A . n A 1 112 CYS 112 228 228 CYS CYS A . n A 1 113 ASN 113 229 229 ASN ASN A . n A 1 114 ASP 114 230 230 ASP ASP A . n A 1 115 LYS 115 231 231 LYS LYS A . n A 1 116 ASN 116 232 232 ASN ASN A . n A 1 117 PHE 117 233 233 PHE PHE A . n A 1 118 ASN 118 234 234 ASN ASN A . n A 1 119 GLY 119 235 235 GLY GLY A . n A 1 120 THR 120 236 236 THR THR A . n A 1 121 GLY 121 237 237 GLY GLY A . n A 1 122 PRO 122 238 238 PRO PRO A . n A 1 123 CYS 123 239 239 CYS CYS A . n A 1 124 LYS 124 240 240 LYS LYS A . n A 1 125 ASN 125 241 241 ASN ASN A . n A 1 126 VAL 126 242 242 VAL VAL A . n A 1 127 SER 127 243 243 SER SER A . n A 1 128 SER 128 244 244 SER SER A . n A 1 129 VAL 129 245 245 VAL VAL A . n A 1 130 GLN 130 246 246 GLN GLN A . n A 1 131 CYS 131 247 247 CYS CYS A . n A 1 132 THR 132 248 248 THR THR A . n A 1 133 HIS 133 249 249 HIS HIS A . n A 1 134 GLY 134 250 250 GLY GLY A . n A 1 135 ILE 135 251 251 ILE ILE A . n A 1 136 LYS 136 252 252 LYS LYS A . n A 1 137 PRO 137 253 253 PRO PRO A . n A 1 138 VAL 138 254 254 VAL VAL A . n A 1 139 VAL 139 255 255 VAL VAL A . n A 1 140 SER 140 256 256 SER SER A . n A 1 141 THR 141 257 257 THR THR A . n A 1 142 GLN 142 258 258 GLN GLN A . n A 1 143 LEU 143 259 259 LEU LEU A . n A 1 144 LEU 144 260 260 LEU LEU A . n A 1 145 LEU 145 261 261 LEU LEU A . n A 1 146 ASN 146 262 262 ASN ASN A . n A 1 147 GLY 147 263 263 GLY GLY A . n A 1 148 SER 148 264 264 SER SER A . n A 1 149 LEU 149 265 265 LEU LEU A . n A 1 150 ALA 150 266 266 ALA ALA A . n A 1 151 GLU 151 267 267 GLU GLU A . n A 1 152 GLU 152 268 268 GLU GLU A . n A 1 153 GLU 153 269 269 GLU GLU A . n A 1 154 ILE 154 270 270 ILE ILE A . n A 1 155 ILE 155 271 271 ILE ILE A . n A 1 156 ILE 156 272 272 ILE ILE A . n A 1 157 ARG 157 273 273 ARG ARG A . n A 1 158 SER 158 274 274 SER SER A . n A 1 159 GLU 159 275 275 GLU GLU A . n A 1 160 ASN 160 276 276 ASN ASN A . n A 1 161 LEU 161 277 277 LEU LEU A . n A 1 162 THR 162 278 278 THR THR A . n A 1 163 ASN 163 279 279 ASN ASN A . n A 1 164 ASN 164 280 280 ASN ASN A . n A 1 165 ALA 165 281 281 ALA ALA A . n A 1 166 LYS 166 282 282 LYS LYS A . n A 1 167 THR 167 283 283 THR THR A . n A 1 168 ILE 168 284 284 ILE ILE A . n A 1 169 ILE 169 285 285 ILE ILE A . n A 1 170 VAL 170 286 286 VAL VAL A . n A 1 171 HIS 171 287 287 HIS HIS A . n A 1 172 LEU 172 288 288 LEU LEU A . n A 1 173 ASN 173 289 289 ASN ASN A . n A 1 174 LYS 174 290 290 LYS LYS A . n A 1 175 SER 175 291 291 SER SER A . n A 1 176 VAL 176 292 292 VAL VAL A . n A 1 177 GLU 177 293 293 GLU GLU A . n A 1 178 ILE 178 294 294 ILE ILE A . n A 1 179 ASN 179 295 295 ASN ASN A . n A 1 180 CYS 180 296 296 CYS CYS A . n A 1 181 THR 181 297 297 THR THR A . n A 1 182 ARG 182 298 298 ARG ARG A . n A 1 183 PRO 183 299 299 PRO PRO A . n A 1 184 SER 184 300 300 SER SER A . n A 1 185 ASN 185 301 301 ASN ASN A . n A 1 186 GLY 186 318 ? ? ? A . n A 1 187 GLY 187 319 ? ? ? A . n A 1 188 SER 188 320 ? ? ? A . n A 1 189 GLY 189 321 ? ? ? A . n A 1 190 SER 190 322 ? ? ? A . n A 1 191 GLY 191 323 ? ? ? A . n A 1 192 GLY 192 324 324 GLY GLY A . n A 1 193 ASP 193 325 325 ASP ASP A . n A 1 194 ILE 194 326 326 ILE ILE A . n A 1 195 ARG 195 327 327 ARG ARG A . n A 1 196 LYS 196 328 328 LYS LYS A . n A 1 197 ALA 197 329 329 ALA ALA A . n A 1 198 TYR 198 330 330 TYR TYR A . n A 1 199 CYS 199 331 331 CYS CYS A . n A 1 200 GLU 200 332 332 GLU GLU A . n A 1 201 ILE 201 333 333 ILE ILE A . n A 1 202 ASN 202 334 334 ASN ASN A . n A 1 203 GLY 203 335 335 GLY GLY A . n A 1 204 THR 204 336 336 THR THR A . n A 1 205 LYS 205 337 337 LYS LYS A . n A 1 206 TRP 206 338 338 TRP TRP A . n A 1 207 ASN 207 339 339 ASN ASN A . n A 1 208 LYS 208 340 340 LYS LYS A . n A 1 209 VAL 209 341 341 VAL VAL A . n A 1 210 LEU 210 342 342 LEU LEU A . n A 1 211 LYS 211 343 343 LYS LYS A . n A 1 212 GLN 212 344 344 GLN GLN A . n A 1 213 VAL 213 345 345 VAL VAL A . n A 1 214 THR 214 346 346 THR THR A . n A 1 215 GLU 215 347 347 GLU GLU A . n A 1 216 LYS 216 348 348 LYS LYS A . n A 1 217 LEU 217 349 349 LEU LEU A . n A 1 218 LYS 218 350 350 LYS LYS A . n A 1 219 GLU 219 351 351 GLU GLU A . n A 1 220 HIS 220 352 352 HIS HIS A . n A 1 221 PHE 221 353 353 PHE PHE A . n A 1 222 ASN 222 354 354 ASN ASN A . n A 1 223 ASN 223 355 355 ASN ASN A . n A 1 224 LYS 224 357 357 LYS LYS A . n A 1 225 THR 225 358 358 THR THR A . n A 1 226 ILE 226 359 359 ILE ILE A . n A 1 227 ILE 227 360 360 ILE ILE A . n A 1 228 PHE 228 361 361 PHE PHE A . n A 1 229 GLN 229 362 362 GLN GLN A . n A 1 230 PRO 230 363 363 PRO PRO A . n A 1 231 PRO 231 364 364 PRO PRO A . n A 1 232 SER 232 365 365 SER SER A . n A 1 233 GLY 233 366 366 GLY GLY A . n A 1 234 GLY 234 367 367 GLY GLY A . n A 1 235 ASP 235 368 368 ASP ASP A . n A 1 236 LEU 236 369 369 LEU LEU A . n A 1 237 GLU 237 370 370 GLU GLU A . n A 1 238 ILE 238 371 371 ILE ILE A . n A 1 239 THR 239 372 372 THR THR A . n A 1 240 MET 240 373 373 MET MET A . n A 1 241 HIS 241 374 374 HIS HIS A . n A 1 242 SER 242 375 375 SER SER A . n A 1 243 PHE 243 376 376 PHE PHE A . n A 1 244 ASN 244 377 377 ASN ASN A . n A 1 245 CYS 245 378 378 CYS CYS A . n A 1 246 ARG 246 379 379 ARG ARG A . n A 1 247 GLY 247 380 380 GLY GLY A . n A 1 248 GLU 248 381 381 GLU GLU A . n A 1 249 PHE 249 382 382 PHE PHE A . n A 1 250 PHE 250 383 383 PHE PHE A . n A 1 251 TYR 251 384 384 TYR TYR A . n A 1 252 CYS 252 385 385 CYS CYS A . n A 1 253 ASN 253 386 386 ASN ASN A . n A 1 254 THR 254 387 387 THR THR A . n A 1 255 THR 255 388 388 THR THR A . n A 1 256 GLN 256 389 389 GLN GLN A . n A 1 257 LEU 257 390 390 LEU LEU A . n A 1 258 PHE 258 391 391 PHE PHE A . n A 1 259 ASN 259 392 392 ASN ASN A . n A 1 260 ASN 260 393 393 ASN ASN A . n A 1 261 THR 261 394 394 THR THR A . n A 1 262 CYS 262 395 395 CYS CYS A . n A 1 263 ILE 263 396 396 ILE ILE A . n A 1 264 GLY 264 403 ? ? ? A . n A 1 265 ASN 265 404 ? ? ? A . n A 1 266 GLU 266 405 ? ? ? A . n A 1 267 THR 267 406 ? ? ? A . n A 1 268 MET 268 407 ? ? ? A . n A 1 269 LYS 269 408 ? ? ? A . n A 1 270 GLY 270 409 ? ? ? A . n A 1 271 CYS 271 410 ? ? ? A . n A 1 272 ASN 272 411 411 ASN ASN A . n A 1 273 GLY 273 412 412 GLY GLY A . n A 1 274 THR 274 413 413 THR THR A . n A 1 275 ILE 275 414 414 ILE ILE A . n A 1 276 THR 276 415 415 THR THR A . n A 1 277 LEU 277 416 416 LEU LEU A . n A 1 278 PRO 278 417 417 PRO PRO A . n A 1 279 CYS 279 418 418 CYS CYS A . n A 1 280 LYS 280 419 419 LYS LYS A . n A 1 281 ILE 281 420 420 ILE ILE A . n A 1 282 LYS 282 421 421 LYS LYS A . n A 1 283 GLN 283 422 422 GLN GLN A . n A 1 284 ILE 284 423 423 ILE ILE A . n A 1 285 ILE 285 424 424 ILE ILE A . n A 1 286 ASN 286 425 425 ASN ASN A . n A 1 287 MET 287 426 426 MET MET A . n A 1 288 TRP 288 427 427 TRP TRP A . n A 1 289 GLN 289 428 428 GLN GLN A . n A 1 290 GLY 290 429 429 GLY GLY A . n A 1 291 THR 291 430 430 THR THR A . n A 1 292 GLY 292 431 431 GLY GLY A . n A 1 293 GLN 293 432 432 GLN GLN A . n A 1 294 ALA 294 433 433 ALA ALA A . n A 1 295 MET 295 434 434 MET MET A . n A 1 296 TYR 296 435 435 TYR TYR A . n A 1 297 ALA 297 436 436 ALA ALA A . n A 1 298 PRO 298 437 437 PRO PRO A . n A 1 299 PRO 299 438 438 PRO PRO A . n A 1 300 ILE 300 439 439 ILE ILE A . n A 1 301 ASP 301 440 440 ASP ASP A . n A 1 302 GLY 302 441 441 GLY GLY A . n A 1 303 LYS 303 442 442 LYS LYS A . n A 1 304 ILE 304 443 443 ILE ILE A . n A 1 305 ASN 305 444 444 ASN ASN A . n A 1 306 CYS 306 445 445 CYS CYS A . n A 1 307 VAL 307 446 446 VAL VAL A . n A 1 308 SER 308 447 447 SER SER A . n A 1 309 ASN 309 448 448 ASN ASN A . n A 1 310 ILE 310 449 449 ILE ILE A . n A 1 311 THR 311 450 450 THR THR A . n A 1 312 GLY 312 451 451 GLY GLY A . n A 1 313 ILE 313 452 452 ILE ILE A . n A 1 314 LEU 314 453 453 LEU LEU A . n A 1 315 LEU 315 454 454 LEU LEU A . n A 1 316 THR 316 455 455 THR THR A . n A 1 317 ARG 317 456 456 ARG ARG A . n A 1 318 ASP 318 457 457 ASP ASP A . n A 1 319 GLY 319 458 458 GLY GLY A . n A 1 320 GLY 320 459 459 GLY GLY A . n A 1 321 ALA 321 460 460 ALA ALA A . n A 1 322 ASN 322 461 461 ASN ASN A . n A 1 323 ASN 323 462 462 ASN ASN A . n A 1 324 THR 324 463 463 THR THR A . n A 1 325 SER 325 464 464 SER SER A . n A 1 326 ASN 326 465 465 ASN ASN A . n A 1 327 GLU 327 466 466 GLU GLU A . n A 1 328 THR 328 467 467 THR THR A . n A 1 329 PHE 329 468 468 PHE PHE A . n A 1 330 ARG 330 469 469 ARG ARG A . n A 1 331 PRO 331 470 470 PRO PRO A . n A 1 332 GLY 332 471 471 GLY GLY A . n A 1 333 GLY 333 472 472 GLY GLY A . n A 1 334 GLY 334 473 473 GLY GLY A . n A 1 335 ASN 335 474 474 ASN ASN A . n A 1 336 ILE 336 475 475 ILE ILE A . n A 1 337 LYS 337 476 476 LYS LYS A . n A 1 338 ASP 338 477 477 ASP ASP A . n A 1 339 ASN 339 478 478 ASN ASN A . n A 1 340 TRP 340 479 479 TRP TRP A . n A 1 341 ARG 341 480 480 ARG ARG A . n A 1 342 SER 342 481 481 SER SER A . n A 1 343 GLU 343 482 482 GLU GLU A . n A 1 344 LEU 344 483 483 LEU LEU A . n A 1 345 TYR 345 484 484 TYR TYR A . n A 1 346 LYS 346 485 485 LYS LYS A . n A 1 347 TYR 347 486 486 TYR TYR A . n A 1 348 LYS 348 487 487 LYS LYS A . n A 1 349 VAL 349 488 488 VAL VAL A . n A 1 350 VAL 350 489 489 VAL VAL A . n A 1 351 GLN 351 490 490 GLN GLN A . n A 1 352 ILE 352 491 491 ILE ILE A . n A 1 353 GLU 353 492 492 GLU GLU A . n B 1 1 VAL 1 44 44 VAL VAL B . n B 1 2 TRP 2 45 45 TRP TRP B . n B 1 3 LYS 3 46 46 LYS LYS B . n B 1 4 ASP 4 47 47 ASP ASP B . n B 1 5 ALA 5 48 48 ALA ALA B . n B 1 6 ASP 6 49 49 ASP ASP B . n B 1 7 THR 7 50 50 THR THR B . n B 1 8 THR 8 51 51 THR THR B . n B 1 9 LEU 9 52 52 LEU LEU B . n B 1 10 PHE 10 53 53 PHE PHE B . n B 1 11 CYS 11 54 54 CYS CYS B . n B 1 12 ALA 12 55 55 ALA ALA B . n B 1 13 SER 13 56 56 SER SER B . n B 1 14 ASP 14 57 57 ASP ASP B . n B 1 15 ALA 15 58 58 ALA ALA B . n B 1 16 LYS 16 59 59 LYS LYS B . n B 1 17 ALA 17 60 60 ALA ALA B . n B 1 18 HIS 18 61 61 HIS HIS B . n B 1 19 GLU 19 62 62 GLU GLU B . n B 1 20 THR 20 63 63 THR THR B . n B 1 21 GLU 21 64 64 GLU GLU B . n B 1 22 VAL 22 65 65 VAL VAL B . n B 1 23 HIS 23 66 66 HIS HIS B . n B 1 24 ASN 24 67 67 ASN ASN B . n B 1 25 VAL 25 68 68 VAL VAL B . n B 1 26 TRP 26 69 69 TRP TRP B . n B 1 27 ALA 27 70 70 ALA ALA B . n B 1 28 THR 28 71 71 THR THR B . n B 1 29 HIS 29 72 72 HIS HIS B . n B 1 30 ALA 30 73 73 ALA ALA B . n B 1 31 CYS 31 74 74 CYS CYS B . n B 1 32 VAL 32 75 75 VAL VAL B . n B 1 33 PRO 33 76 76 PRO PRO B . n B 1 34 THR 34 77 77 THR THR B . n B 1 35 ASP 35 78 78 ASP ASP B . n B 1 36 PRO 36 79 79 PRO PRO B . n B 1 37 ASN 37 80 80 ASN ASN B . n B 1 38 PRO 38 81 81 PRO PRO B . n B 1 39 GLN 39 82 82 GLN GLN B . n B 1 40 GLU 40 83 83 GLU GLU B . n B 1 41 ILE 41 84 84 ILE ILE B . n B 1 42 HIS 42 85 85 HIS HIS B . n B 1 43 LEU 43 86 86 LEU LEU B . n B 1 44 GLU 44 87 87 GLU GLU B . n B 1 45 ASN 45 88 88 ASN ASN B . n B 1 46 VAL 46 89 89 VAL VAL B . n B 1 47 THR 47 90 90 THR THR B . n B 1 48 GLU 48 91 91 GLU GLU B . n B 1 49 ASN 49 92 92 ASN ASN B . n B 1 50 PHE 50 93 93 PHE PHE B . n B 1 51 ASN 51 94 94 ASN ASN B . n B 1 52 MET 52 95 95 MET MET B . n B 1 53 TRP 53 96 96 TRP TRP B . n B 1 54 LYS 54 97 97 LYS LYS B . n B 1 55 ASN 55 98 98 ASN ASN B . n B 1 56 ASN 56 99 99 ASN ASN B . n B 1 57 MET 57 100 100 MET MET B . n B 1 58 VAL 58 101 101 VAL VAL B . n B 1 59 GLU 59 102 102 GLU GLU B . n B 1 60 GLN 60 103 103 GLN GLN B . n B 1 61 MET 61 104 104 MET MET B . n B 1 62 GLN 62 105 105 GLN GLN B . n B 1 63 GLU 63 106 106 GLU GLU B . n B 1 64 ASP 64 107 107 ASP ASP B . n B 1 65 VAL 65 108 108 VAL VAL B . n B 1 66 ILE 66 109 109 ILE ILE B . n B 1 67 SER 67 110 110 SER SER B . n B 1 68 LEU 68 111 111 LEU LEU B . n B 1 69 TRP 69 112 112 TRP TRP B . n B 1 70 ASP 70 113 113 ASP ASP B . n B 1 71 GLN 71 114 114 GLN GLN B . n B 1 72 SER 72 115 115 SER SER B . n B 1 73 LEU 73 116 116 LEU LEU B . n B 1 74 GLN 74 117 117 GLN GLN B . n B 1 75 PRO 75 118 118 PRO PRO B . n B 1 76 CYS 76 119 119 CYS CYS B . n B 1 77 VAL 77 120 120 VAL VAL B . n B 1 78 LYS 78 121 121 LYS LYS B . n B 1 79 LEU 79 122 122 LEU LEU B . n B 1 80 THR 80 123 123 THR THR B . n B 1 81 GLY 81 124 124 GLY GLY B . n B 1 82 GLY 82 198 198 GLY GLY B . n B 1 83 SER 83 199 199 SER SER B . n B 1 84 VAL 84 200 200 VAL VAL B . n B 1 85 ILE 85 201 201 ILE ILE B . n B 1 86 LYS 86 202 202 LYS LYS B . n B 1 87 GLN 87 203 203 GLN GLN B . n B 1 88 ALA 88 204 204 ALA ALA B . n B 1 89 CYS 89 205 205 CYS CYS B . n B 1 90 PRO 90 206 206 PRO PRO B . n B 1 91 LYS 91 207 207 LYS LYS B . n B 1 92 ILE 92 208 208 ILE ILE B . n B 1 93 SER 93 209 209 SER SER B . n B 1 94 PHE 94 210 210 PHE PHE B . n B 1 95 ASP 95 211 211 ASP ASP B . n B 1 96 PRO 96 212 212 PRO PRO B . n B 1 97 ILE 97 213 213 ILE ILE B . n B 1 98 PRO 98 214 214 PRO PRO B . n B 1 99 ILE 99 215 215 ILE ILE B . n B 1 100 HIS 100 216 216 HIS HIS B . n B 1 101 TYR 101 217 217 TYR TYR B . n B 1 102 CYS 102 218 218 CYS CYS B . n B 1 103 THR 103 219 219 THR THR B . n B 1 104 PRO 104 220 220 PRO PRO B . n B 1 105 ALA 105 221 221 ALA ALA B . n B 1 106 GLY 106 222 222 GLY GLY B . n B 1 107 TYR 107 223 223 TYR TYR B . n B 1 108 VAL 108 224 224 VAL VAL B . n B 1 109 ILE 109 225 225 ILE ILE B . n B 1 110 LEU 110 226 226 LEU LEU B . n B 1 111 LYS 111 227 227 LYS LYS B . n B 1 112 CYS 112 228 228 CYS CYS B . n B 1 113 ASN 113 229 229 ASN ASN B . n B 1 114 ASP 114 230 230 ASP ASP B . n B 1 115 LYS 115 231 231 LYS LYS B . n B 1 116 ASN 116 232 232 ASN ASN B . n B 1 117 PHE 117 233 233 PHE PHE B . n B 1 118 ASN 118 234 234 ASN ASN B . n B 1 119 GLY 119 235 235 GLY GLY B . n B 1 120 THR 120 236 236 THR THR B . n B 1 121 GLY 121 237 237 GLY GLY B . n B 1 122 PRO 122 238 238 PRO PRO B . n B 1 123 CYS 123 239 239 CYS CYS B . n B 1 124 LYS 124 240 240 LYS LYS B . n B 1 125 ASN 125 241 241 ASN ASN B . n B 1 126 VAL 126 242 242 VAL VAL B . n B 1 127 SER 127 243 243 SER SER B . n B 1 128 SER 128 244 244 SER SER B . n B 1 129 VAL 129 245 245 VAL VAL B . n B 1 130 GLN 130 246 246 GLN GLN B . n B 1 131 CYS 131 247 247 CYS CYS B . n B 1 132 THR 132 248 248 THR THR B . n B 1 133 HIS 133 249 249 HIS HIS B . n B 1 134 GLY 134 250 250 GLY GLY B . n B 1 135 ILE 135 251 251 ILE ILE B . n B 1 136 LYS 136 252 252 LYS LYS B . n B 1 137 PRO 137 253 253 PRO PRO B . n B 1 138 VAL 138 254 254 VAL VAL B . n B 1 139 VAL 139 255 255 VAL VAL B . n B 1 140 SER 140 256 256 SER SER B . n B 1 141 THR 141 257 257 THR THR B . n B 1 142 GLN 142 258 258 GLN GLN B . n B 1 143 LEU 143 259 259 LEU LEU B . n B 1 144 LEU 144 260 260 LEU LEU B . n B 1 145 LEU 145 261 261 LEU LEU B . n B 1 146 ASN 146 262 262 ASN ASN B . n B 1 147 GLY 147 263 263 GLY GLY B . n B 1 148 SER 148 264 264 SER SER B . n B 1 149 LEU 149 265 265 LEU LEU B . n B 1 150 ALA 150 266 266 ALA ALA B . n B 1 151 GLU 151 267 267 GLU GLU B . n B 1 152 GLU 152 268 268 GLU GLU B . n B 1 153 GLU 153 269 269 GLU GLU B . n B 1 154 ILE 154 270 270 ILE ILE B . n B 1 155 ILE 155 271 271 ILE ILE B . n B 1 156 ILE 156 272 272 ILE ILE B . n B 1 157 ARG 157 273 273 ARG ARG B . n B 1 158 SER 158 274 274 SER SER B . n B 1 159 GLU 159 275 275 GLU GLU B . n B 1 160 ASN 160 276 276 ASN ASN B . n B 1 161 LEU 161 277 277 LEU LEU B . n B 1 162 THR 162 278 278 THR THR B . n B 1 163 ASN 163 279 279 ASN ASN B . n B 1 164 ASN 164 280 280 ASN ASN B . n B 1 165 ALA 165 281 281 ALA ALA B . n B 1 166 LYS 166 282 282 LYS LYS B . n B 1 167 THR 167 283 283 THR THR B . n B 1 168 ILE 168 284 284 ILE ILE B . n B 1 169 ILE 169 285 285 ILE ILE B . n B 1 170 VAL 170 286 286 VAL VAL B . n B 1 171 HIS 171 287 287 HIS HIS B . n B 1 172 LEU 172 288 288 LEU LEU B . n B 1 173 ASN 173 289 289 ASN ASN B . n B 1 174 LYS 174 290 290 LYS LYS B . n B 1 175 SER 175 291 291 SER SER B . n B 1 176 VAL 176 292 292 VAL VAL B . n B 1 177 GLU 177 293 293 GLU GLU B . n B 1 178 ILE 178 294 294 ILE ILE B . n B 1 179 ASN 179 295 295 ASN ASN B . n B 1 180 CYS 180 296 296 CYS CYS B . n B 1 181 THR 181 297 297 THR THR B . n B 1 182 ARG 182 298 298 ARG ARG B . n B 1 183 PRO 183 299 299 PRO PRO B . n B 1 184 SER 184 300 300 SER SER B . n B 1 185 ASN 185 301 301 ASN ASN B . n B 1 186 GLY 186 318 ? ? ? B . n B 1 187 GLY 187 319 ? ? ? B . n B 1 188 SER 188 320 ? ? ? B . n B 1 189 GLY 189 321 ? ? ? B . n B 1 190 SER 190 322 ? ? ? B . n B 1 191 GLY 191 323 ? ? ? B . n B 1 192 GLY 192 324 324 GLY GLY B . n B 1 193 ASP 193 325 325 ASP ASP B . n B 1 194 ILE 194 326 326 ILE ILE B . n B 1 195 ARG 195 327 327 ARG ARG B . n B 1 196 LYS 196 328 328 LYS LYS B . n B 1 197 ALA 197 329 329 ALA ALA B . n B 1 198 TYR 198 330 330 TYR TYR B . n B 1 199 CYS 199 331 331 CYS CYS B . n B 1 200 GLU 200 332 332 GLU GLU B . n B 1 201 ILE 201 333 333 ILE ILE B . n B 1 202 ASN 202 334 334 ASN ASN B . n B 1 203 GLY 203 335 335 GLY GLY B . n B 1 204 THR 204 336 336 THR THR B . n B 1 205 LYS 205 337 337 LYS LYS B . n B 1 206 TRP 206 338 338 TRP TRP B . n B 1 207 ASN 207 339 339 ASN ASN B . n B 1 208 LYS 208 340 340 LYS LYS B . n B 1 209 VAL 209 341 341 VAL VAL B . n B 1 210 LEU 210 342 342 LEU LEU B . n B 1 211 LYS 211 343 343 LYS LYS B . n B 1 212 GLN 212 344 344 GLN GLN B . n B 1 213 VAL 213 345 345 VAL VAL B . n B 1 214 THR 214 346 346 THR THR B . n B 1 215 GLU 215 347 347 GLU GLU B . n B 1 216 LYS 216 348 348 LYS LYS B . n B 1 217 LEU 217 349 349 LEU LEU B . n B 1 218 LYS 218 350 350 LYS LYS B . n B 1 219 GLU 219 351 351 GLU GLU B . n B 1 220 HIS 220 352 352 HIS HIS B . n B 1 221 PHE 221 353 353 PHE PHE B . n B 1 222 ASN 222 354 354 ASN ASN B . n B 1 223 ASN 223 355 355 ASN ASN B . n B 1 224 LYS 224 357 357 LYS LYS B . n B 1 225 THR 225 358 358 THR THR B . n B 1 226 ILE 226 359 359 ILE ILE B . n B 1 227 ILE 227 360 360 ILE ILE B . n B 1 228 PHE 228 361 361 PHE PHE B . n B 1 229 GLN 229 362 362 GLN GLN B . n B 1 230 PRO 230 363 363 PRO PRO B . n B 1 231 PRO 231 364 364 PRO PRO B . n B 1 232 SER 232 365 365 SER SER B . n B 1 233 GLY 233 366 366 GLY GLY B . n B 1 234 GLY 234 367 367 GLY GLY B . n B 1 235 ASP 235 368 368 ASP ASP B . n B 1 236 LEU 236 369 369 LEU LEU B . n B 1 237 GLU 237 370 370 GLU GLU B . n B 1 238 ILE 238 371 371 ILE ILE B . n B 1 239 THR 239 372 372 THR THR B . n B 1 240 MET 240 373 373 MET MET B . n B 1 241 HIS 241 374 374 HIS HIS B . n B 1 242 SER 242 375 375 SER SER B . n B 1 243 PHE 243 376 376 PHE PHE B . n B 1 244 ASN 244 377 377 ASN ASN B . n B 1 245 CYS 245 378 378 CYS CYS B . n B 1 246 ARG 246 379 379 ARG ARG B . n B 1 247 GLY 247 380 380 GLY GLY B . n B 1 248 GLU 248 381 381 GLU GLU B . n B 1 249 PHE 249 382 382 PHE PHE B . n B 1 250 PHE 250 383 383 PHE PHE B . n B 1 251 TYR 251 384 384 TYR TYR B . n B 1 252 CYS 252 385 385 CYS CYS B . n B 1 253 ASN 253 386 386 ASN ASN B . n B 1 254 THR 254 387 387 THR THR B . n B 1 255 THR 255 388 388 THR THR B . n B 1 256 GLN 256 389 389 GLN GLN B . n B 1 257 LEU 257 390 390 LEU LEU B . n B 1 258 PHE 258 391 391 PHE PHE B . n B 1 259 ASN 259 392 392 ASN ASN B . n B 1 260 ASN 260 393 393 ASN ASN B . n B 1 261 THR 261 394 394 THR THR B . n B 1 262 CYS 262 395 395 CYS CYS B . n B 1 263 ILE 263 396 396 ILE ILE B . n B 1 264 GLY 264 403 ? ? ? B . n B 1 265 ASN 265 404 ? ? ? B . n B 1 266 GLU 266 405 ? ? ? B . n B 1 267 THR 267 406 ? ? ? B . n B 1 268 MET 268 407 ? ? ? B . n B 1 269 LYS 269 408 ? ? ? B . n B 1 270 GLY 270 409 ? ? ? B . n B 1 271 CYS 271 410 ? ? ? B . n B 1 272 ASN 272 411 411 ASN ASN B . n B 1 273 GLY 273 412 412 GLY GLY B . n B 1 274 THR 274 413 413 THR THR B . n B 1 275 ILE 275 414 414 ILE ILE B . n B 1 276 THR 276 415 415 THR THR B . n B 1 277 LEU 277 416 416 LEU LEU B . n B 1 278 PRO 278 417 417 PRO PRO B . n B 1 279 CYS 279 418 418 CYS CYS B . n B 1 280 LYS 280 419 419 LYS LYS B . n B 1 281 ILE 281 420 420 ILE ILE B . n B 1 282 LYS 282 421 421 LYS LYS B . n B 1 283 GLN 283 422 422 GLN GLN B . n B 1 284 ILE 284 423 423 ILE ILE B . n B 1 285 ILE 285 424 424 ILE ILE B . n B 1 286 ASN 286 425 425 ASN ASN B . n B 1 287 MET 287 426 426 MET MET B . n B 1 288 TRP 288 427 427 TRP TRP B . n B 1 289 GLN 289 428 428 GLN GLN B . n B 1 290 GLY 290 429 429 GLY GLY B . n B 1 291 THR 291 430 430 THR THR B . n B 1 292 GLY 292 431 431 GLY GLY B . n B 1 293 GLN 293 432 432 GLN GLN B . n B 1 294 ALA 294 433 433 ALA ALA B . n B 1 295 MET 295 434 434 MET MET B . n B 1 296 TYR 296 435 435 TYR TYR B . n B 1 297 ALA 297 436 436 ALA ALA B . n B 1 298 PRO 298 437 437 PRO PRO B . n B 1 299 PRO 299 438 438 PRO PRO B . n B 1 300 ILE 300 439 439 ILE ILE B . n B 1 301 ASP 301 440 440 ASP ASP B . n B 1 302 GLY 302 441 441 GLY GLY B . n B 1 303 LYS 303 442 442 LYS LYS B . n B 1 304 ILE 304 443 443 ILE ILE B . n B 1 305 ASN 305 444 444 ASN ASN B . n B 1 306 CYS 306 445 445 CYS CYS B . n B 1 307 VAL 307 446 446 VAL VAL B . n B 1 308 SER 308 447 447 SER SER B . n B 1 309 ASN 309 448 448 ASN ASN B . n B 1 310 ILE 310 449 449 ILE ILE B . n B 1 311 THR 311 450 450 THR THR B . n B 1 312 GLY 312 451 451 GLY GLY B . n B 1 313 ILE 313 452 452 ILE ILE B . n B 1 314 LEU 314 453 453 LEU LEU B . n B 1 315 LEU 315 454 454 LEU LEU B . n B 1 316 THR 316 455 455 THR THR B . n B 1 317 ARG 317 456 456 ARG ARG B . n B 1 318 ASP 318 457 457 ASP ASP B . n B 1 319 GLY 319 458 458 GLY GLY B . n B 1 320 GLY 320 459 459 GLY GLY B . n B 1 321 ALA 321 460 460 ALA ALA B . n B 1 322 ASN 322 461 461 ASN ASN B . n B 1 323 ASN 323 462 462 ASN ASN B . n B 1 324 THR 324 463 463 THR THR B . n B 1 325 SER 325 464 464 SER SER B . n B 1 326 ASN 326 465 465 ASN ASN B . n B 1 327 GLU 327 466 466 GLU GLU B . n B 1 328 THR 328 467 467 THR THR B . n B 1 329 PHE 329 468 468 PHE PHE B . n B 1 330 ARG 330 469 469 ARG ARG B . n B 1 331 PRO 331 470 470 PRO PRO B . n B 1 332 GLY 332 471 471 GLY GLY B . n B 1 333 GLY 333 472 472 GLY GLY B . n B 1 334 GLY 334 473 473 GLY GLY B . n B 1 335 ASN 335 474 474 ASN ASN B . n B 1 336 ILE 336 475 475 ILE ILE B . n B 1 337 LYS 337 476 476 LYS LYS B . n B 1 338 ASP 338 477 477 ASP ASP B . n B 1 339 ASN 339 478 478 ASN ASN B . n B 1 340 TRP 340 479 479 TRP TRP B . n B 1 341 ARG 341 480 480 ARG ARG B . n B 1 342 SER 342 481 481 SER SER B . n B 1 343 GLU 343 482 482 GLU GLU B . n B 1 344 LEU 344 483 483 LEU LEU B . n B 1 345 TYR 345 484 484 TYR TYR B . n B 1 346 LYS 346 485 485 LYS LYS B . n B 1 347 TYR 347 486 486 TYR TYR B . n B 1 348 LYS 348 487 487 LYS LYS B . n B 1 349 VAL 349 488 488 VAL VAL B . n B 1 350 VAL 350 489 489 VAL VAL B . n B 1 351 GLN 351 490 490 GLN GLN B . n B 1 352 ILE 352 491 491 ILE ILE B . n B 1 353 GLU 353 492 492 GLU GLU 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 1 501 734 NAG NAG A . D 2 NAG 1 502 741 NAG NAG A . E 2 NAG 1 503 762 NAG NAG A . F 2 NAG 1 504 776 NAG NAG A . G 2 NAG 1 505 789 NAG NAG A . H 2 NAG 1 506 795 NAG NAG A . I 2 NAG 1 507 834 NAG NAG A . J 2 NAG 1 508 855 NAG NAG A . K 2 NAG 1 509 886 NAG NAG A . L 2 NAG 1 510 892 NAG NAG A . M 2 NAG 1 511 948 NAG NAG A . N 3 EPE 1 512 1 EPE EPE A . O 4 0KW 1 513 1 0KW 0KW A . P 2 NAG 1 501 734 NAG NAG B . Q 2 NAG 1 502 741 NAG NAG B . R 2 NAG 1 503 762 NAG NAG B . S 2 NAG 1 504 776 NAG NAG B . T 2 NAG 1 505 789 NAG NAG B . U 2 NAG 1 506 795 NAG NAG B . V 2 NAG 1 507 834 NAG NAG B . W 2 NAG 1 508 886 NAG NAG B . X 2 NAG 1 509 948 NAG NAG B . Y 3 EPE 1 510 1 EPE EPE B . Z 4 0KW 1 511 1 0KW 0KW B . AA 5 HOH 1 601 1 HOH HOH A . AA 5 HOH 2 602 2 HOH HOH A . AA 5 HOH 3 603 3 HOH HOH A . AA 5 HOH 4 604 4 HOH HOH A . AA 5 HOH 5 605 5 HOH HOH A . AA 5 HOH 6 606 6 HOH HOH A . AA 5 HOH 7 607 10 HOH HOH A . AA 5 HOH 8 608 12 HOH HOH A . AA 5 HOH 9 609 13 HOH HOH A . AA 5 HOH 10 610 14 HOH HOH A . AA 5 HOH 11 611 16 HOH HOH A . AA 5 HOH 12 612 19 HOH HOH A . AA 5 HOH 13 613 20 HOH HOH A . AA 5 HOH 14 614 22 HOH HOH A . AA 5 HOH 15 615 24 HOH HOH A . AA 5 HOH 16 616 26 HOH HOH A . AA 5 HOH 17 617 27 HOH HOH A . AA 5 HOH 18 618 28 HOH HOH A . AA 5 HOH 19 619 29 HOH HOH A . AA 5 HOH 20 620 30 HOH HOH A . AA 5 HOH 21 621 32 HOH HOH A . AA 5 HOH 22 622 34 HOH HOH A . AA 5 HOH 23 623 35 HOH HOH A . AA 5 HOH 24 624 36 HOH HOH A . AA 5 HOH 25 625 37 HOH HOH A . AA 5 HOH 26 626 39 HOH HOH A . AA 5 HOH 27 627 41 HOH HOH A . AA 5 HOH 28 628 42 HOH HOH A . AA 5 HOH 29 629 43 HOH HOH A . AA 5 HOH 30 630 44 HOH HOH A . AA 5 HOH 31 631 45 HOH HOH A . AA 5 HOH 32 632 46 HOH HOH A . AA 5 HOH 33 633 47 HOH HOH A . AA 5 HOH 34 634 48 HOH HOH A . AA 5 HOH 35 635 49 HOH HOH A . AA 5 HOH 36 636 52 HOH HOH A . AA 5 HOH 37 637 54 HOH HOH A . AA 5 HOH 38 638 56 HOH HOH A . AA 5 HOH 39 639 58 HOH HOH A . AA 5 HOH 40 640 60 HOH HOH A . AA 5 HOH 41 641 64 HOH HOH A . AA 5 HOH 42 642 65 HOH HOH A . AA 5 HOH 43 643 67 HOH HOH A . AA 5 HOH 44 644 68 HOH HOH A . AA 5 HOH 45 645 69 HOH HOH A . AA 5 HOH 46 646 71 HOH HOH A . AA 5 HOH 47 647 72 HOH HOH A . AA 5 HOH 48 648 73 HOH HOH A . AA 5 HOH 49 649 75 HOH HOH A . AA 5 HOH 50 650 77 HOH HOH A . AA 5 HOH 51 651 78 HOH HOH A . AA 5 HOH 52 652 80 HOH HOH A . AA 5 HOH 53 653 84 HOH HOH A . AA 5 HOH 54 654 86 HOH HOH A . AA 5 HOH 55 655 87 HOH HOH A . AA 5 HOH 56 656 88 HOH HOH A . AA 5 HOH 57 657 91 HOH HOH A . AA 5 HOH 58 658 92 HOH HOH A . AA 5 HOH 59 659 95 HOH HOH A . AA 5 HOH 60 660 97 HOH HOH A . AA 5 HOH 61 661 99 HOH HOH A . AA 5 HOH 62 662 101 HOH HOH A . AA 5 HOH 63 663 102 HOH HOH A . AA 5 HOH 64 664 104 HOH HOH A . AA 5 HOH 65 665 105 HOH HOH A . AA 5 HOH 66 666 106 HOH HOH A . AA 5 HOH 67 667 107 HOH HOH A . AA 5 HOH 68 668 108 HOH HOH A . AA 5 HOH 69 669 109 HOH HOH A . AA 5 HOH 70 670 112 HOH HOH A . AA 5 HOH 71 671 113 HOH HOH A . AA 5 HOH 72 672 114 HOH HOH A . AA 5 HOH 73 673 115 HOH HOH A . AA 5 HOH 74 674 116 HOH HOH A . AA 5 HOH 75 675 117 HOH HOH A . AA 5 HOH 76 676 118 HOH HOH A . AA 5 HOH 77 677 119 HOH HOH A . AA 5 HOH 78 678 124 HOH HOH A . AA 5 HOH 79 679 125 HOH HOH A . AA 5 HOH 80 680 126 HOH HOH A . AA 5 HOH 81 681 129 HOH HOH A . AA 5 HOH 82 682 130 HOH HOH A . AA 5 HOH 83 683 131 HOH HOH A . AA 5 HOH 84 684 132 HOH HOH A . AA 5 HOH 85 685 134 HOH HOH A . AA 5 HOH 86 686 135 HOH HOH A . AA 5 HOH 87 687 136 HOH HOH A . AA 5 HOH 88 688 139 HOH HOH A . AA 5 HOH 89 689 141 HOH HOH A . AA 5 HOH 90 690 144 HOH HOH A . AA 5 HOH 91 691 145 HOH HOH A . AA 5 HOH 92 692 146 HOH HOH A . AA 5 HOH 93 693 149 HOH HOH A . AA 5 HOH 94 694 150 HOH HOH A . AA 5 HOH 95 695 151 HOH HOH A . AA 5 HOH 96 696 153 HOH HOH A . AA 5 HOH 97 697 154 HOH HOH A . AA 5 HOH 98 698 156 HOH HOH A . AA 5 HOH 99 699 157 HOH HOH A . AA 5 HOH 100 700 158 HOH HOH A . AA 5 HOH 101 701 159 HOH HOH A . AA 5 HOH 102 702 161 HOH HOH A . AA 5 HOH 103 703 162 HOH HOH A . AA 5 HOH 104 704 165 HOH HOH A . AA 5 HOH 105 705 168 HOH HOH A . AA 5 HOH 106 706 173 HOH HOH A . AA 5 HOH 107 707 177 HOH HOH A . AA 5 HOH 108 708 179 HOH HOH A . AA 5 HOH 109 709 180 HOH HOH A . AA 5 HOH 110 710 181 HOH HOH A . AA 5 HOH 111 711 183 HOH HOH A . AA 5 HOH 112 712 186 HOH HOH A . AA 5 HOH 113 713 188 HOH HOH A . AA 5 HOH 114 714 189 HOH HOH A . AA 5 HOH 115 715 190 HOH HOH A . AA 5 HOH 116 716 193 HOH HOH A . AA 5 HOH 117 717 194 HOH HOH A . BA 5 HOH 1 601 7 HOH HOH B . BA 5 HOH 2 602 8 HOH HOH B . BA 5 HOH 3 603 9 HOH HOH B . BA 5 HOH 4 604 11 HOH HOH B . BA 5 HOH 5 605 15 HOH HOH B . BA 5 HOH 6 606 17 HOH HOH B . BA 5 HOH 7 607 18 HOH HOH B . BA 5 HOH 8 608 21 HOH HOH B . BA 5 HOH 9 609 23 HOH HOH B . BA 5 HOH 10 610 25 HOH HOH B . BA 5 HOH 11 611 31 HOH HOH B . BA 5 HOH 12 612 33 HOH HOH B . BA 5 HOH 13 613 38 HOH HOH B . BA 5 HOH 14 614 40 HOH HOH B . BA 5 HOH 15 615 50 HOH HOH B . BA 5 HOH 16 616 51 HOH HOH B . BA 5 HOH 17 617 53 HOH HOH B . BA 5 HOH 18 618 55 HOH HOH B . BA 5 HOH 19 619 57 HOH HOH B . BA 5 HOH 20 620 59 HOH HOH B . BA 5 HOH 21 621 61 HOH HOH B . BA 5 HOH 22 622 62 HOH HOH B . BA 5 HOH 23 623 63 HOH HOH B . BA 5 HOH 24 624 66 HOH HOH B . BA 5 HOH 25 625 70 HOH HOH B . BA 5 HOH 26 626 74 HOH HOH B . BA 5 HOH 27 627 76 HOH HOH B . BA 5 HOH 28 628 79 HOH HOH B . BA 5 HOH 29 629 81 HOH HOH B . BA 5 HOH 30 630 82 HOH HOH B . BA 5 HOH 31 631 83 HOH HOH B . BA 5 HOH 32 632 85 HOH HOH B . BA 5 HOH 33 633 89 HOH HOH B . BA 5 HOH 34 634 90 HOH HOH B . BA 5 HOH 35 635 93 HOH HOH B . BA 5 HOH 36 636 94 HOH HOH B . BA 5 HOH 37 637 96 HOH HOH B . BA 5 HOH 38 638 98 HOH HOH B . BA 5 HOH 39 639 100 HOH HOH B . BA 5 HOH 40 640 103 HOH HOH B . BA 5 HOH 41 641 110 HOH HOH B . BA 5 HOH 42 642 111 HOH HOH B . BA 5 HOH 43 643 120 HOH HOH B . BA 5 HOH 44 644 121 HOH HOH B . BA 5 HOH 45 645 122 HOH HOH B . BA 5 HOH 46 646 123 HOH HOH B . BA 5 HOH 47 647 127 HOH HOH B . BA 5 HOH 48 648 128 HOH HOH B . BA 5 HOH 49 649 133 HOH HOH B . BA 5 HOH 50 650 137 HOH HOH B . BA 5 HOH 51 651 138 HOH HOH B . BA 5 HOH 52 652 140 HOH HOH B . BA 5 HOH 53 653 142 HOH HOH B . BA 5 HOH 54 654 143 HOH HOH B . BA 5 HOH 55 655 147 HOH HOH B . BA 5 HOH 56 656 148 HOH HOH B . BA 5 HOH 57 657 152 HOH HOH B . BA 5 HOH 58 658 155 HOH HOH B . BA 5 HOH 59 659 160 HOH HOH B . BA 5 HOH 60 660 163 HOH HOH B . BA 5 HOH 61 661 164 HOH HOH B . BA 5 HOH 62 662 166 HOH HOH B . BA 5 HOH 63 663 167 HOH HOH B . BA 5 HOH 64 664 169 HOH HOH B . BA 5 HOH 65 665 170 HOH HOH B . BA 5 HOH 66 666 171 HOH HOH B . BA 5 HOH 67 667 172 HOH HOH B . BA 5 HOH 68 668 174 HOH HOH B . BA 5 HOH 69 669 175 HOH HOH B . BA 5 HOH 70 670 176 HOH HOH B . BA 5 HOH 71 671 178 HOH HOH B . BA 5 HOH 72 672 182 HOH HOH B . BA 5 HOH 73 673 184 HOH HOH B . BA 5 HOH 74 674 185 HOH HOH B . BA 5 HOH 75 675 187 HOH HOH B . BA 5 HOH 76 676 191 HOH HOH B . BA 5 HOH 77 677 192 HOH HOH B . BA 5 HOH 78 678 195 HOH HOH B . BA 5 HOH 79 679 196 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 A ASN 125 A ASN 241 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 309 B ASN 448 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 146 B ASN 262 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 253 B ASN 386 ? ASN 'GLYCOSYLATION SITE' 5 B ASN 118 B ASN 234 ? ASN 'GLYCOSYLATION SITE' 6 A ASN 202 A ASN 334 ? ASN 'GLYCOSYLATION SITE' 7 A ASN 253 A ASN 386 ? ASN 'GLYCOSYLATION SITE' 8 A ASN 259 A ASN 392 ? ASN 'GLYCOSYLATION SITE' 9 A ASN 173 A ASN 289 ? ASN 'GLYCOSYLATION SITE' 10 A ASN 118 A ASN 234 ? ASN 'GLYCOSYLATION SITE' 11 A ASN 146 A ASN 262 ? ASN 'GLYCOSYLATION SITE' 12 B ASN 202 B ASN 334 ? ASN 'GLYCOSYLATION SITE' 13 A ASN 309 A ASN 448 ? ASN 'GLYCOSYLATION SITE' 14 A ASN 179 A ASN 295 ? ASN 'GLYCOSYLATION SITE' 15 B ASN 179 B ASN 295 ? ASN 'GLYCOSYLATION SITE' 16 A ASN 223 A ASN 355 ? ASN 'GLYCOSYLATION SITE' 17 A ASN 160 A ASN 276 ? ASN 'GLYCOSYLATION SITE' 18 B ASN 125 B ASN 241 ? ASN 'GLYCOSYLATION SITE' 19 B ASN 173 B ASN 289 ? ASN 'GLYCOSYLATION SITE' 20 B ASN 160 B ASN 276 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,N,O,AA 2 1 B,P,Q,R,S,T,U,V,W,X,Y,Z,BA # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-03-20 2 'Structure model' 1 1 2017-08-02 # _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 2 'Structure model' 'Source and taxonomy' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' citation 2 2 'Structure model' citation_author 3 2 'Structure model' entity_src_gen # 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 2 'Structure model' '_citation.country' 2 2 'Structure model' '_citation.journal_abbrev' 3 2 'Structure model' '_citation.journal_id_ASTM' 4 2 'Structure model' '_citation.journal_id_CSD' 5 2 'Structure model' '_citation.journal_id_ISSN' 6 2 'Structure model' '_citation.journal_volume' 7 2 'Structure model' '_citation.page_first' 8 2 'Structure model' '_citation.page_last' 9 2 'Structure model' '_citation.pdbx_database_id_DOI' 10 2 'Structure model' '_citation.pdbx_database_id_PubMed' 11 2 'Structure model' '_citation.title' 12 2 'Structure model' '_citation.year' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 17.7466 2.5158 39.2129 0.1722 0.1923 0.2821 0.0048 0.0615 -0.0353 3.7591 4.0309 4.8565 -0.7291 1.9158 -1.2629 -0.0426 0.0388 0.3577 0.0287 -0.0916 -0.0800 -0.2734 -0.0441 0.1397 'X-RAY DIFFRACTION' 2 ? refined 14.6414 -19.7943 40.6439 0.2226 0.2497 0.3177 -0.0012 0.0900 -0.0252 3.1114 1.6342 5.7579 -0.3119 3.9285 -0.1494 0.0686 -0.2492 -0.1546 0.0635 -0.0476 0.0714 0.4026 -0.2454 -0.0174 'X-RAY DIFFRACTION' 3 ? refined -12.4419 -16.5151 9.1436 0.4299 0.2729 0.2404 -0.0004 -0.0681 0.0911 8.3765 4.2646 4.0324 -1.3569 -1.8499 -0.1146 0.0338 0.1845 0.2211 -0.2247 0.0985 0.3054 -0.0286 -0.6065 -0.1058 'X-RAY DIFFRACTION' 4 ? refined -11.0370 -38.8008 11.8389 0.7410 0.3824 0.4735 -0.1741 -0.1414 0.0832 7.1175 3.0455 2.5023 -0.6472 -1.0635 0.4185 -0.0061 0.2318 -0.9605 -0.3601 0.1345 0.5373 0.8990 -0.5679 -0.1079 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 'chain A and (resid 1:252 or resid 474:492)' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'chain A and resid 253:473' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 'chain B and (resid 1:252 or resid 474:492)' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 'chain B and resid 253:473' # 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 PHENIX 1.8.1_1168 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 2 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 3 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 4 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 5 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? 6 PHASES . ? ? ? ? phasing ? ? ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O B HOH 670 ? ? O B HOH 672 ? ? 1.81 2 1 O B GLY 472 ? ? O B HOH 651 ? ? 1.83 3 1 O3 A NAG 503 ? ? O A HOH 664 ? ? 1.84 4 1 OD1 A ASN 280 ? ? O A HOH 714 ? ? 1.86 5 1 N B ASN 474 ? ? O B HOH 651 ? ? 1.87 6 1 ND2 B ASN 411 ? ? O B HOH 659 ? ? 1.89 7 1 OE2 B GLU 269 ? ? O B HOH 678 ? ? 1.92 8 1 CG B ASN 411 ? ? O B HOH 659 ? ? 1.93 9 1 OE2 B GLU 293 ? ? O B HOH 663 ? ? 1.93 10 1 N B ASN 411 ? ? O B HOH 659 ? ? 1.96 11 1 O A HOH 703 ? ? O A HOH 713 ? ? 2.00 12 1 O A HOH 672 ? ? O A HOH 677 ? ? 2.01 13 1 NH2 A ARG 480 ? ? O A HOH 663 ? ? 2.04 14 1 N B ASN 411 ? ? O B HOH 664 ? ? 2.06 15 1 O B GLN 117 ? ? O B HOH 640 ? ? 2.11 16 1 O A HOH 674 ? ? O A HOH 675 ? ? 2.14 17 1 OE1 B GLN 114 ? ? O B HOH 642 ? ? 2.16 18 1 O B LYS 59 ? ? O B HOH 602 ? ? 2.17 19 1 ND2 A ASN 289 ? ? C2 A NAG 505 ? ? 2.17 20 1 CA B ASN 411 ? ? O B HOH 664 ? ? 2.18 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 PRO _pdbx_validate_rmsd_bond.auth_seq_id_1 238 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 N _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 PRO _pdbx_validate_rmsd_bond.auth_seq_id_2 238 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.560 _pdbx_validate_rmsd_bond.bond_target_value 1.474 _pdbx_validate_rmsd_bond.bond_deviation 0.086 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.014 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 80 ? ? -119.12 69.31 2 1 ASP A 211 ? ? -166.53 104.79 3 1 GLN A 258 ? ? 62.95 -63.88 4 1 GLU A 268 ? ? -97.39 -102.36 5 1 ASN A 276 ? ? -166.86 95.81 6 1 SER A 300 ? ? -73.08 -76.19 7 1 PHE A 391 ? ? -110.27 64.50 8 1 CYS A 395 ? ? -85.25 49.23 9 1 THR A 430 ? ? -71.88 -76.40 10 1 LEU B 116 ? ? -108.43 62.62 11 1 ASP B 211 ? ? -161.75 104.01 12 1 GLN B 258 ? ? 59.41 -66.32 13 1 GLU B 268 ? ? -125.09 -101.66 14 1 ASN B 276 ? ? -172.71 95.76 15 1 ASN B 355 ? ? 38.96 73.70 16 1 PHE B 391 ? ? -109.23 51.43 17 1 ASN B 393 ? ? -76.46 31.37 18 1 CYS B 395 ? ? -102.06 59.06 # 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 GLY 318 ? A GLY 186 2 1 Y 1 A GLY 319 ? A GLY 187 3 1 Y 1 A SER 320 ? A SER 188 4 1 Y 1 A GLY 321 ? A GLY 189 5 1 Y 1 A SER 322 ? A SER 190 6 1 Y 1 A GLY 323 ? A GLY 191 7 1 Y 1 A GLY 403 ? A GLY 264 8 1 Y 1 A ASN 404 ? A ASN 265 9 1 Y 1 A GLU 405 ? A GLU 266 10 1 Y 1 A THR 406 ? A THR 267 11 1 Y 1 A MET 407 ? A MET 268 12 1 Y 1 A LYS 408 ? A LYS 269 13 1 Y 1 A GLY 409 ? A GLY 270 14 1 Y 1 A CYS 410 ? A CYS 271 15 1 Y 1 B GLY 318 ? B GLY 186 16 1 Y 1 B GLY 319 ? B GLY 187 17 1 Y 1 B SER 320 ? B SER 188 18 1 Y 1 B GLY 321 ? B GLY 189 19 1 Y 1 B SER 322 ? B SER 190 20 1 Y 1 B GLY 323 ? B GLY 191 21 1 Y 1 B GLY 403 ? B GLY 264 22 1 Y 1 B ASN 404 ? B ASN 265 23 1 Y 1 B GLU 405 ? B GLU 266 24 1 Y 1 B THR 406 ? B THR 267 25 1 Y 1 B MET 407 ? B MET 268 26 1 Y 1 B LYS 408 ? B LYS 269 27 1 Y 1 B GLY 409 ? B GLY 270 28 1 Y 1 B CYS 410 ? B CYS 271 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 4 "N-(4-chlorophenyl)-N'-{(S)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide" 0KW 5 water HOH #