data_3QQE # _entry.id 3QQE # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3QQE RCSB RCSB063971 WWPDB D_1000063971 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3QQB . unspecified PDB 3QQI . unspecified PDB 3QQO . unspecified # _pdbx_database_status.entry_id 3QQE _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2011-02-15 _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.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Xu, R.' 1 'Wilson, I.A.' 2 # _citation.id primary _citation.title 'Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin.' _citation.journal_abbrev J.Virol. _citation.journal_volume 85 _citation.page_first 5172 _citation.page_last 5182 _citation.year 2011 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21367895 _citation.pdbx_database_id_DOI 10.1128/JVI.02430-10 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Xu, R.' 1 primary 'Wilson, I.A.' 2 # _cell.length_a 70.339 _cell.length_b 70.339 _cell.length_c 237.093 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 _cell.entry_id 3QQE _cell.pdbx_unique_axis ? _cell.Z_PDB 6 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 63' _symmetry.entry_id 3QQE _symmetry.Int_Tables_number 173 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Hemagglutinin 36504.227 1 ? ? 'HA1 chain' ? 2 polymer man Hemagglutinin 20120.248 1 ? R106H 'HA2 chain ectodomain' ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer syn 1,2-ETHANEDIOL 62.068 1 ? ? ? ? 5 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120 1 ? ? ? ? 6 water nat water 18.015 426 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGQGGRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRN VPQIESR ; ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGQGGRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRN VPQIESR ; A ? 2 'polypeptide(L)' no no ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENEHTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENEHTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 GLY n 1 3 ASP n 1 4 GLN n 1 5 ILE n 1 6 CYS n 1 7 ILE n 1 8 GLY n 1 9 TYR n 1 10 HIS n 1 11 ALA n 1 12 ASN n 1 13 ASN n 1 14 SER n 1 15 THR n 1 16 GLU n 1 17 LYS n 1 18 VAL n 1 19 ASP n 1 20 THR n 1 21 ILE n 1 22 LEU n 1 23 GLU n 1 24 ARG n 1 25 ASN n 1 26 VAL n 1 27 THR n 1 28 VAL n 1 29 THR n 1 30 HIS n 1 31 ALA n 1 32 LYS n 1 33 ASP n 1 34 ILE n 1 35 LEU n 1 36 GLU n 1 37 LYS n 1 38 THR n 1 39 HIS n 1 40 ASN n 1 41 GLY n 1 42 LYS n 1 43 LEU n 1 44 CYS n 1 45 LYS n 1 46 LEU n 1 47 ASN n 1 48 GLY n 1 49 ILE n 1 50 PRO n 1 51 PRO n 1 52 LEU n 1 53 GLU n 1 54 LEU n 1 55 GLY n 1 56 ASP n 1 57 CYS n 1 58 SER n 1 59 ILE n 1 60 ALA n 1 61 GLY n 1 62 TRP n 1 63 LEU n 1 64 LEU n 1 65 GLY n 1 66 ASN n 1 67 PRO n 1 68 GLU n 1 69 CYS n 1 70 ASP n 1 71 ARG n 1 72 LEU n 1 73 LEU n 1 74 SER n 1 75 VAL n 1 76 PRO n 1 77 GLU n 1 78 TRP n 1 79 SER n 1 80 TYR n 1 81 ILE n 1 82 MET n 1 83 GLU n 1 84 LYS n 1 85 GLU n 1 86 ASN n 1 87 PRO n 1 88 ARG n 1 89 ASP n 1 90 GLY n 1 91 LEU n 1 92 CYS n 1 93 TYR n 1 94 PRO n 1 95 GLY n 1 96 SER n 1 97 PHE n 1 98 ASN n 1 99 ASP n 1 100 TYR n 1 101 GLU n 1 102 GLU n 1 103 LEU n 1 104 LYS n 1 105 HIS n 1 106 LEU n 1 107 LEU n 1 108 SER n 1 109 SER n 1 110 VAL n 1 111 LYS n 1 112 HIS n 1 113 PHE n 1 114 GLU n 1 115 LYS n 1 116 VAL n 1 117 LYS n 1 118 ILE n 1 119 LEU n 1 120 PRO n 1 121 LYS n 1 122 ASP n 1 123 ARG n 1 124 TRP n 1 125 THR n 1 126 GLN n 1 127 HIS n 1 128 THR n 1 129 THR n 1 130 THR n 1 131 GLY n 1 132 GLY n 1 133 SER n 1 134 ARG n 1 135 ALA n 1 136 CYS n 1 137 ALA n 1 138 VAL n 1 139 SER n 1 140 GLY n 1 141 ASN n 1 142 PRO n 1 143 SER n 1 144 PHE n 1 145 PHE n 1 146 ARG n 1 147 ASN n 1 148 MET n 1 149 VAL n 1 150 TRP n 1 151 LEU n 1 152 THR n 1 153 GLU n 1 154 LYS n 1 155 GLY n 1 156 SER n 1 157 ASN n 1 158 TYR n 1 159 PRO n 1 160 VAL n 1 161 ALA n 1 162 LYS n 1 163 GLY n 1 164 SER n 1 165 TYR n 1 166 ASN n 1 167 ASN n 1 168 THR n 1 169 SER n 1 170 GLY n 1 171 GLU n 1 172 GLN n 1 173 MET n 1 174 LEU n 1 175 ILE n 1 176 ILE n 1 177 TRP n 1 178 GLY n 1 179 VAL n 1 180 HIS n 1 181 HIS n 1 182 PRO n 1 183 ASN n 1 184 ASP n 1 185 GLU n 1 186 THR n 1 187 GLU n 1 188 GLN n 1 189 ARG n 1 190 THR n 1 191 LEU n 1 192 TYR n 1 193 GLN n 1 194 ASN n 1 195 VAL n 1 196 GLY n 1 197 THR n 1 198 TYR n 1 199 VAL n 1 200 SER n 1 201 VAL n 1 202 GLY n 1 203 THR n 1 204 SER n 1 205 THR n 1 206 LEU n 1 207 ASN n 1 208 LYS n 1 209 ARG n 1 210 SER n 1 211 THR n 1 212 PRO n 1 213 GLU n 1 214 ILE n 1 215 ALA n 1 216 THR n 1 217 ARG n 1 218 PRO n 1 219 LYS n 1 220 VAL n 1 221 ASN n 1 222 GLY n 1 223 GLN n 1 224 GLY n 1 225 GLY n 1 226 ARG n 1 227 MET n 1 228 GLU n 1 229 PHE n 1 230 SER n 1 231 TRP n 1 232 THR n 1 233 LEU n 1 234 LEU n 1 235 ASP n 1 236 MET n 1 237 TRP n 1 238 ASP n 1 239 THR n 1 240 ILE n 1 241 ASN n 1 242 PHE n 1 243 GLU n 1 244 SER n 1 245 THR n 1 246 GLY n 1 247 ASN n 1 248 LEU n 1 249 ILE n 1 250 ALA n 1 251 PRO n 1 252 GLU n 1 253 TYR n 1 254 GLY n 1 255 PHE n 1 256 LYS n 1 257 ILE n 1 258 SER n 1 259 LYS n 1 260 ARG n 1 261 GLY n 1 262 SER n 1 263 SER n 1 264 GLY n 1 265 ILE n 1 266 MET n 1 267 LYS n 1 268 THR n 1 269 GLU n 1 270 GLY n 1 271 THR n 1 272 LEU n 1 273 GLU n 1 274 ASN n 1 275 CYS n 1 276 GLU n 1 277 THR n 1 278 LYS n 1 279 CYS n 1 280 GLN n 1 281 THR n 1 282 PRO n 1 283 LEU n 1 284 GLY n 1 285 ALA n 1 286 ILE n 1 287 ASN n 1 288 THR n 1 289 THR n 1 290 LEU n 1 291 PRO n 1 292 PHE n 1 293 HIS n 1 294 ASN n 1 295 VAL n 1 296 HIS n 1 297 PRO n 1 298 LEU n 1 299 THR n 1 300 ILE n 1 301 GLY n 1 302 GLU n 1 303 CYS n 1 304 PRO n 1 305 LYS n 1 306 TYR n 1 307 VAL n 1 308 LYS n 1 309 SER n 1 310 GLU n 1 311 LYS n 1 312 LEU n 1 313 VAL n 1 314 LEU n 1 315 ALA n 1 316 THR n 1 317 GLY n 1 318 LEU n 1 319 ARG n 1 320 ASN n 1 321 VAL n 1 322 PRO n 1 323 GLN n 1 324 ILE n 1 325 GLU n 1 326 SER n 1 327 ARG n 2 1 GLY n 2 2 LEU n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 GLY n 2 13 GLY n 2 14 TRP n 2 15 GLN n 2 16 GLY n 2 17 MET n 2 18 VAL n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 TYR n 2 25 HIS n 2 26 HIS n 2 27 SER n 2 28 ASN n 2 29 ASP n 2 30 GLN n 2 31 GLY n 2 32 SER n 2 33 GLY n 2 34 TYR n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 LYS n 2 39 GLU n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 LYS n 2 44 ALA n 2 45 PHE n 2 46 ASP n 2 47 GLY n 2 48 ILE n 2 49 THR n 2 50 ASN n 2 51 LYS n 2 52 VAL n 2 53 ASN n 2 54 SER n 2 55 VAL n 2 56 ILE n 2 57 GLU n 2 58 LYS n 2 59 MET n 2 60 ASN n 2 61 THR n 2 62 GLN n 2 63 PHE n 2 64 GLU n 2 65 ALA n 2 66 VAL n 2 67 GLY n 2 68 LYS n 2 69 GLU n 2 70 PHE n 2 71 SER n 2 72 ASN n 2 73 LEU n 2 74 GLU n 2 75 ARG n 2 76 ARG n 2 77 LEU n 2 78 GLU n 2 79 ASN n 2 80 LEU n 2 81 ASN n 2 82 LYS n 2 83 LYS n 2 84 MET n 2 85 GLU n 2 86 ASP n 2 87 GLY n 2 88 PHE n 2 89 LEU n 2 90 ASP n 2 91 VAL n 2 92 TRP n 2 93 THR n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 LEU n 2 102 MET n 2 103 GLU n 2 104 ASN n 2 105 GLU n 2 106 HIS n 2 107 THR n 2 108 LEU n 2 109 ASP n 2 110 PHE n 2 111 HIS n 2 112 ASP n 2 113 SER n 2 114 ASN n 2 115 VAL n 2 116 LYS n 2 117 ASN n 2 118 LEU n 2 119 TYR n 2 120 ASP n 2 121 LYS n 2 122 VAL n 2 123 ARG n 2 124 MET n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 ASP n 2 129 ASN n 2 130 VAL n 2 131 LYS n 2 132 GLU n 2 133 LEU n 2 134 GLY n 2 135 ASN n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 GLU n 2 140 PHE n 2 141 TYR n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASP n 2 147 GLU n 2 148 CYS n 2 149 MET n 2 150 ASN n 2 151 SER n 2 152 VAL n 2 153 LYS n 2 154 ASN n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 TYR n 2 160 PRO n 2 161 LYS n 2 162 TYR n 2 163 GLU n 2 164 GLU n 2 165 GLU n 2 166 SER n 2 167 LYS n 2 168 LEU n 2 169 ASN n 2 170 ARG n 2 171 ASN n 2 172 GLU n 2 173 ILE n 2 174 LYS 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 ? ? ? ? ? 'HA, hemagglutinin' ? 'A/Japan/305/1957 H2N2' ? ? ? ? 'Influenza A virus' 387161 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? Hi5 ? ? ? ? ? ? ? Baculovirus ? ? ? pFASTbac-HT ? ? 2 1 sample ? ? ? ? ? 'HA, hemagglutinin' ? 'A/Japan/305/1957 H2N2' ? ? ? ? 'Influenza A virus' 387161 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? Hi5 ? ? ? ? ? ? ? Baculovirus ? ? ? pFASTbac-HT ? ? # 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 C7S226_I57A0 C7S226 1 ;GDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSYI MEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPVA KGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGQGGRMEFSWTLLDMWDTIN FESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRNV PQIESR ; 15 ? 2 UNP C7S226_I57A0 C7S226 2 ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; 341 ? # 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 3QQE A 2 ? 327 ? C7S226 15 ? 340 ? 10 329 2 2 3QQE B 1 ? 174 ? C7S226 341 ? 514 ? 1 174 # 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 3QQE PRO A 1 ? UNP C7S226 ? ? 'EXPRESSION TAG' 9 1 2 3QQE HIS B 106 ? UNP C7S226 ARG 446 'ENGINEERED MUTATION' 106 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 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 PEG non-polymer . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3' 106.120 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 3QQE _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.99 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 58.86 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.pH 9.0 _exptl_crystal_grow.temp 295.5 _exptl_crystal_grow.pdbx_details '24% PEG 3000, 0.1M Tris, pH 9.0, vapor diffusion, sitting drop, temperature 295.5K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2009-03-21 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'Double crystal monochromator' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97915 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL9-2' _diffrn_source.pdbx_wavelength_list 0.97915 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL9-2 # _reflns.entry_id 3QQE _reflns.d_resolution_high 2.100 _reflns.d_resolution_low 40.000 _reflns.number_obs 37509 _reflns.pdbx_Rmerge_I_obs 0.084 _reflns.pdbx_netI_over_sigmaI 15.000 _reflns.pdbx_chi_squared 1.064 _reflns.pdbx_redundancy 7.800 _reflns.percent_possible_obs 97.600 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_ordinal 2.100 2.180 ? ? ? 0.514 ? ? 1.242 3.100 ? 3141 81.800 ? 1 2.180 2.260 ? ? ? 0.472 ? ? 1.093 4.200 ? 3674 95.000 ? 2 2.260 2.370 ? ? ? 0.411 ? ? 1.280 5.400 ? 3755 99.300 ? 3 2.370 2.490 ? ? ? 0.321 ? ? 1.083 6.600 ? 3858 100.000 ? 4 2.490 2.650 ? ? ? 0.259 ? ? 1.006 7.800 ? 3823 100.000 ? 5 2.650 2.850 ? ? ? 0.198 ? ? 1.086 8.800 ? 3815 100.000 ? 6 2.850 3.140 ? ? ? 0.136 ? ? 0.996 9.400 ? 3843 100.000 ? 7 3.140 3.590 ? ? ? 0.091 ? ? 0.988 9.800 ? 3847 100.000 ? 8 3.590 4.520 ? ? ? 0.069 ? ? 1.065 10.400 ? 3860 100.000 ? 9 4.520 40.000 ? ? ? 0.050 ? ? 1.066 11.000 ? 3893 99.700 ? 10 # _refine.entry_id 3QQE _refine.ls_d_res_high 2.1000 _refine.ls_d_res_low 33.0000 _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 97.4900 _refine.ls_number_reflns_obs 37441 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1913 _refine.ls_R_factor_R_work 0.1890 _refine.ls_wR_factor_R_work 0.1984 _refine.ls_R_factor_R_free 0.2349 _refine.ls_wR_factor_R_free 0.2434 _refine.ls_percent_reflns_R_free 5.0000 _refine.ls_number_reflns_R_free 1874 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 42.617 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] 0.7700 _refine.aniso_B[2][2] 0.7700 _refine.aniso_B[3][3] -1.1500 _refine.aniso_B[1][2] 0.3800 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9600 _refine.correlation_coeff_Fo_to_Fc_free 0.9410 _refine.overall_SU_R_Cruickshank_DPI 0.2027 _refine.overall_SU_R_free 0.1781 _refine.pdbx_overall_ESU_R_Free 0.1790 _refine.overall_SU_ML 0.1380 _refine.overall_SU_B 9.8850 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.2000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set 0.8242 _refine.B_iso_max 82.220 _refine.B_iso_min 17.510 _refine.occupancy_max 1.000 _refine.occupancy_min 0.330 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3921 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 67 _refine_hist.number_atoms_solvent 426 _refine_hist.number_atoms_total 4414 _refine_hist.d_res_high 2.1000 _refine_hist.d_res_low 33.0000 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 4084 0.011 0.021 ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 5525 1.337 1.961 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 493 6.079 5.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 197 35.596 25.178 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 697 14.500 15.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 17 14.124 15.000 ? 'X-RAY DIFFRACTION' ? r_chiral_restr 593 0.087 0.200 ? 'X-RAY DIFFRACTION' ? r_gen_planes_refined 3086 0.004 0.020 ? 'X-RAY DIFFRACTION' ? r_nbd_refined 1712 0.181 0.200 ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 2715 0.301 0.200 ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 362 0.161 0.200 ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 70 0.170 0.200 ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 23 0.234 0.200 ? 'X-RAY DIFFRACTION' ? r_mcbond_it 2532 0.773 1.500 ? 'X-RAY DIFFRACTION' ? r_mcangle_it 3945 1.301 2.000 ? 'X-RAY DIFFRACTION' ? r_scbond_it 1787 1.922 3.000 ? 'X-RAY DIFFRACTION' ? r_scangle_it 1580 3.130 4.500 ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.d_res_high 2.10 _refine_ls_shell.d_res_low 2.1580 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 79.0100 _refine_ls_shell.number_reflns_R_work 2112 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.2810 _refine_ls_shell.R_factor_R_free 0.4170 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 109 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 2221 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3QQE _struct.title 'Crystal structure of HA2 R106H mutant of H2 hemagglutinin, re-neutralized form' _struct.pdbx_descriptor Hemagglutinin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3QQE _struct_keywords.text 'viral envelope protein, hemagglutinin, viral fusion protein, viral protein' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 4 ? G N N 3 ? H N N 5 ? I N N 6 ? J N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 SER A 58 ? GLY A 65 ? SER A 65 GLY A 72 1 ? 8 HELX_P HELX_P2 2 ASN A 66 ? LEU A 73 ? ASN A 73 LEU A 80 5 ? 8 HELX_P HELX_P3 3 ASP A 99 ? SER A 108 ? ASP A 104 SER A 113 1 ? 10 HELX_P HELX_P4 4 PRO A 120 ? TRP A 124 ? PRO A 122 TRP A 127 5 ? 5 HELX_P HELX_P5 5 ASP A 184 ? GLN A 193 ? ASP A 187 GLN A 196 1 ? 10 HELX_P HELX_P6 6 ASP B 37 ? MET B 59 ? ASP B 37 MET B 59 1 ? 23 HELX_P HELX_P7 7 GLU B 74 ? ARG B 127 ? GLU B 74 ARG B 127 1 ? 54 HELX_P HELX_P8 8 ASP B 145 ? ASN B 154 ? ASP B 145 ASN B 154 1 ? 10 HELX_P HELX_P9 9 ASP B 158 ? GLU B 172 ? ASP B 158 GLU B 172 1 ? 15 # _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 6 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 14 B CYS 137 1_555 ? ? ? ? ? ? ? 2.082 ? disulf2 disulf ? ? A CYS 44 SG ? ? ? 1_555 A CYS 275 SG ? ? A CYS 52 A CYS 277 1_555 ? ? ? ? ? ? ? 2.083 ? disulf3 disulf ? ? A CYS 57 SG ? ? ? 1_555 A CYS 69 SG ? ? A CYS 64 A CYS 76 1_555 ? ? ? ? ? ? ? 2.086 ? disulf4 disulf ? ? A CYS 279 SG ? ? ? 1_555 A CYS 303 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.083 ? disulf5 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 144 B CYS 148 1_555 ? ? ? ? ? ? ? 2.085 ? covale1 covale ? ? A ASN 25 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 33 A NAG 332 1_555 ? ? ? ? ? ? ? 1.451 ? covale2 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 330 A NAG 331 1_555 ? ? ? ? ? ? ? 1.451 ? covale3 covale ? ? A ASN 166 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 169 A NAG 330 1_555 ? ? ? ? ? ? ? 1.457 ? covale4 covale ? ? B ASN 154 ND2 ? ? ? 1_555 G NAG . C1 ? ? B ASN 154 B NAG 175 1_555 ? ? ? ? ? ? ? 1.458 ? # 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 ? 2 ? C ? 2 ? D ? 3 ? E ? 2 ? F ? 3 ? G ? 5 ? H ? 5 ? I ? 2 ? J ? 4 ? K ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel E 1 2 ? parallel F 1 2 ? parallel F 2 3 ? parallel G 1 2 ? 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 H 3 4 ? anti-parallel H 4 5 ? 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 # 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 GLY B 31 ? ALA B 36 ? GLY B 31 ALA B 36 A 2 TYR B 22 ? ASN B 28 ? TYR B 22 ASN B 28 A 3 GLN A 4 ? TYR A 9 ? GLN A 12 TYR A 17 A 4 CYS B 137 ? PHE B 140 ? CYS B 137 PHE B 140 A 5 VAL B 130 ? GLU B 132 ? VAL B 130 GLU B 132 B 1 LYS A 17 ? VAL A 18 ? LYS A 25 VAL A 26 B 2 VAL A 26 ? THR A 27 ? VAL A 34 THR A 35 C 1 ALA A 31 ? ASP A 33 ? ALA A 39 ASP A 41 C 2 VAL A 313 ? ALA A 315 ? VAL A 315 ALA A 317 D 1 LEU A 35 ? GLU A 36 ? LEU A 43 GLU A 44 D 2 PHE A 292 ? HIS A 293 ? PHE A 294 HIS A 295 D 3 LYS A 305 ? TYR A 306 ? LYS A 307 TYR A 308 E 1 LEU A 43 ? LEU A 46 A LEU A 51 LEU A 53 E 2 LEU A 272 ? THR A 277 ? LEU A 274 THR A 279 F 1 LEU A 52 ? GLU A 53 ? LEU A 59 GLU A 60 F 2 ILE A 81 ? GLU A 83 ? ILE A 87 GLU A 89 F 3 ILE A 265 ? LYS A 267 ? ILE A 267 LYS A 269 G 1 GLY A 95 ? PHE A 97 ? GLY A 100 PHE A 102 G 2 ARG A 226 ? LEU A 234 ? ARG A 229 LEU A 237 G 3 MET A 173 ? HIS A 181 ? MET A 176 HIS A 184 G 4 TYR A 253 ? ARG A 260 ? TYR A 256 ARG A 263 G 5 VAL A 110 ? LYS A 117 ? VAL A 115 LYS A 119 H 1 GLY A 95 ? PHE A 97 ? GLY A 100 PHE A 102 H 2 ARG A 226 ? LEU A 234 ? ARG A 229 LEU A 237 H 3 MET A 173 ? HIS A 181 ? MET A 176 HIS A 184 H 4 LEU A 248 ? PRO A 251 ? LEU A 251 PRO A 254 H 5 MET A 148 ? TRP A 150 ? MET A 151 TRP A 153 I 1 SER A 133 ? VAL A 138 ? SER A 136 VAL A 141 I 2 ASN A 141 ? SER A 143 ? ASN A 144 SER A 146 J 1 ALA A 161 ? ASN A 166 ? ALA A 164 ASN A 169 J 2 THR A 239 ? SER A 244 ? THR A 242 SER A 247 J 3 VAL A 199 ? GLY A 202 ? VAL A 202 GLY A 205 J 4 ASN A 207 ? SER A 210 ? ASN A 210 SER A 213 K 1 GLY A 284 ? ILE A 286 ? GLY A 286 ILE A 288 K 2 CYS A 279 ? THR A 281 ? CYS A 281 THR A 283 K 3 ILE A 300 ? GLY A 301 ? ILE A 302 GLY A 303 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ALA B 35 ? O ALA B 35 N TYR B 24 ? N TYR B 24 A 2 3 O SER B 27 ? O SER B 27 N GLN A 4 ? N GLN A 12 A 3 4 N ILE A 5 ? N ILE A 13 O PHE B 138 ? O PHE B 138 A 4 5 O GLU B 139 ? O GLU B 139 N LYS B 131 ? N LYS B 131 B 1 2 N VAL A 18 ? N VAL A 26 O VAL A 26 ? O VAL A 34 C 1 2 N LYS A 32 ? N LYS A 40 O LEU A 314 ? O LEU A 316 D 1 2 N GLU A 36 ? N GLU A 44 O PHE A 292 ? O PHE A 294 D 2 3 N HIS A 293 ? N HIS A 295 O LYS A 305 ? O LYS A 307 E 1 2 N LEU A 43 ? N LEU A 51 O GLU A 273 ? O GLU A 275 F 1 2 N LEU A 52 ? N LEU A 59 O MET A 82 ? O MET A 88 F 2 3 N ILE A 81 ? N ILE A 87 O MET A 266 ? O MET A 268 G 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 G 2 3 O ARG A 226 ? O ARG A 229 N HIS A 181 ? N HIS A 184 G 3 4 N LEU A 174 ? N LEU A 177 O PHE A 255 ? O PHE A 258 G 4 5 O LYS A 259 ? O LYS A 262 N LYS A 111 ? N LYS A 116 H 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 H 2 3 O ARG A 226 ? O ARG A 229 N HIS A 181 ? N HIS A 184 H 3 4 N GLY A 178 ? N GLY A 181 O ILE A 249 ? O ILE A 252 H 4 5 O ALA A 250 ? O ALA A 253 N VAL A 149 ? N VAL A 152 I 1 2 N SER A 133 ? N SER A 136 O SER A 143 ? O SER A 146 J 1 2 N ALA A 161 ? N ALA A 164 O SER A 244 ? O SER A 247 J 2 3 O GLU A 243 ? O GLU A 246 N SER A 200 ? N SER A 203 J 3 4 N VAL A 201 ? N VAL A 204 O LYS A 208 ? O LYS A 211 K 1 2 O ILE A 286 ? O ILE A 288 N CYS A 279 ? N CYS A 281 K 2 3 N GLN A 280 ? N GLN A 282 O ILE A 300 ? O ILE A 302 # 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 330' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 331' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 175' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 332' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE EDO A 1' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE PEG B 176' # 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 166 ? ASN A 169 . ? 1_555 ? 2 AC1 3 NAG D . ? NAG A 331 . ? 1_555 ? 3 AC1 3 HOH I . ? HOH A 408 . ? 1_555 ? 4 AC2 2 NAG C . ? NAG A 330 . ? 1_555 ? 5 AC2 2 HOH I . ? HOH A 612 . ? 1_555 ? 6 AC3 4 GLU B 147 ? GLU B 147 . ? 1_555 ? 7 AC3 4 ASN B 150 ? ASN B 150 . ? 1_555 ? 8 AC3 4 ASN B 154 ? ASN B 154 . ? 1_555 ? 9 AC3 4 THR B 156 ? THR B 156 . ? 1_555 ? 10 AC4 2 LYS A 17 ? LYS A 25 . ? 1_555 ? 11 AC4 2 ASN A 25 ? ASN A 33 . ? 1_555 ? 12 AC5 7 LEU A 119 ? LEU A 121 . ? 1_555 ? 13 AC5 7 PRO A 120 ? PRO A 122 . ? 1_555 ? 14 AC5 7 ARG A 123 ? ARG A 126 . ? 1_555 ? 15 AC5 7 TRP A 124 ? TRP A 127 . ? 1_555 ? 16 AC5 7 HOH I . ? HOH A 338 . ? 1_555 ? 17 AC5 7 HOH I . ? HOH A 485 . ? 1_555 ? 18 AC5 7 HOH I . ? HOH A 486 . ? 1_555 ? 19 AC6 5 CYS A 6 ? CYS A 14 . ? 1_555 ? 20 AC6 5 TRP B 14 ? TRP B 14 . ? 1_555 ? 21 AC6 5 HIS B 25 ? HIS B 25 . ? 1_555 ? 22 AC6 5 ASN B 135 ? ASN B 135 . ? 1_555 ? 23 AC6 5 HOH J . ? HOH B 318 . ? 1_555 ? # _atom_sites.entry_id 3QQE _atom_sites.fract_transf_matrix[1][1] 0.014217 _atom_sites.fract_transf_matrix[1][2] 0.008208 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.016416 _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] 0.004218 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PRO A 1 1 ? 16.689 -22.713 48.285 1.00 51.67 ? 9 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? 16.583 -22.263 46.888 1.00 51.00 ? 9 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? 16.290 -20.757 46.788 1.00 49.74 ? 9 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? 15.320 -20.272 47.388 1.00 50.53 ? 9 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? 15.413 -23.092 46.332 1.00 51.44 ? 9 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? 14.637 -23.524 47.557 1.00 51.89 ? 9 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? 15.689 -23.742 48.613 1.00 51.99 ? 9 PRO A CD 1 ATOM 8 N N . GLY A 1 2 ? 17.138 -20.028 46.055 1.00 47.44 ? 10 GLY A N 1 ATOM 9 C CA . GLY A 1 2 ? 17.001 -18.574 45.903 1.00 44.07 ? 10 GLY A CA 1 ATOM 10 C C . GLY A 1 2 ? 16.467 -18.099 44.553 1.00 41.51 ? 10 GLY A C 1 ATOM 11 O O . GLY A 1 2 ? 15.992 -18.894 43.729 1.00 41.13 ? 10 GLY A O 1 ATOM 12 N N . ASP A 1 3 ? 16.544 -16.787 44.343 1.00 38.96 ? 11 ASP A N 1 ATOM 13 C CA . ASP A 1 3 ? 16.100 -16.163 43.109 1.00 36.78 ? 11 ASP A CA 1 ATOM 14 C C . ASP A 1 3 ? 17.049 -16.560 41.973 1.00 35.62 ? 11 ASP A C 1 ATOM 15 O O . ASP A 1 3 ? 18.226 -16.851 42.215 1.00 34.92 ? 11 ASP A O 1 ATOM 16 C CB . ASP A 1 3 ? 16.043 -14.638 43.258 1.00 36.61 ? 11 ASP A CB 1 ATOM 17 C CG . ASP A 1 3 ? 15.079 -14.172 44.367 1.00 36.57 ? 11 ASP A CG 1 ATOM 18 O OD1 . ASP A 1 3 ? 14.050 -14.837 44.635 1.00 35.08 ? 11 ASP A OD1 1 ATOM 19 O OD2 . ASP A 1 3 ? 15.356 -13.111 44.969 1.00 37.24 ? 11 ASP A OD2 1 ATOM 20 N N . GLN A 1 4 ? 16.527 -16.579 40.749 1.00 34.01 ? 12 GLN A N 1 ATOM 21 C CA . GLN A 1 4 ? 17.283 -17.049 39.596 1.00 33.16 ? 12 GLN A CA 1 ATOM 22 C C . GLN A 1 4 ? 17.192 -16.124 38.384 1.00 32.34 ? 12 GLN A C 1 ATOM 23 O O . GLN A 1 4 ? 16.151 -15.530 38.114 1.00 32.15 ? 12 GLN A O 1 ATOM 24 C CB . GLN A 1 4 ? 16.817 -18.455 39.190 1.00 33.09 ? 12 GLN A CB 1 ATOM 25 C CG . GLN A 1 4 ? 17.346 -19.607 40.060 1.00 33.58 ? 12 GLN A CG 1 ATOM 26 C CD . GLN A 1 4 ? 17.092 -20.982 39.433 1.00 33.50 ? 12 GLN A CD 1 ATOM 27 O OE1 . GLN A 1 4 ? 16.889 -21.098 38.222 1.00 31.50 ? 12 GLN A OE1 1 ATOM 28 N NE2 . GLN A 1 4 ? 17.114 -22.028 40.260 1.00 32.79 ? 12 GLN A NE2 1 ATOM 29 N N . ILE A 1 5 ? 18.293 -16.017 37.651 1.00 31.39 ? 13 ILE A N 1 ATOM 30 C CA . ILE A 1 5 ? 18.235 -15.523 36.283 1.00 30.48 ? 13 ILE A CA 1 ATOM 31 C C . ILE A 1 5 ? 18.842 -16.576 35.346 1.00 30.09 ? 13 ILE A C 1 ATOM 32 O O . ILE A 1 5 ? 19.841 -17.218 35.684 1.00 29.40 ? 13 ILE A O 1 ATOM 33 C CB . ILE A 1 5 ? 18.835 -14.087 36.128 1.00 30.41 ? 13 ILE A CB 1 ATOM 34 C CG1 . ILE A 1 5 ? 18.328 -13.440 34.827 1.00 30.11 ? 13 ILE A CG1 1 ATOM 35 C CG2 . ILE A 1 5 ? 20.373 -14.084 36.275 1.00 29.84 ? 13 ILE A CG2 1 ATOM 36 C CD1 . ILE A 1 5 ? 18.446 -11.920 34.760 1.00 30.30 ? 13 ILE A CD1 1 ATOM 37 N N . CYS A 1 6 ? 18.194 -16.778 34.198 1.00 29.99 ? 14 CYS A N 1 ATOM 38 C CA . CYS A 1 6 ? 18.621 -17.771 33.209 1.00 29.97 ? 14 CYS A CA 1 ATOM 39 C C . CYS A 1 6 ? 18.858 -17.111 31.872 1.00 28.73 ? 14 CYS A C 1 ATOM 40 O O . CYS A 1 6 ? 18.124 -16.206 31.496 1.00 28.34 ? 14 CYS A O 1 ATOM 41 C CB . CYS A 1 6 ? 17.576 -18.883 33.051 1.00 30.77 ? 14 CYS A CB 1 ATOM 42 S SG . CYS A 1 6 ? 17.159 -19.779 34.614 1.00 36.80 ? 14 CYS A SG 1 ATOM 43 N N . ILE A 1 7 ? 19.894 -17.564 31.166 1.00 27.59 ? 15 ILE A N 1 ATOM 44 C CA . ILE A 1 7 ? 20.177 -17.125 29.802 1.00 26.87 ? 15 ILE A CA 1 ATOM 45 C C . ILE A 1 7 ? 19.638 -18.198 28.870 1.00 26.36 ? 15 ILE A C 1 ATOM 46 O O . ILE A 1 7 ? 19.812 -19.383 29.127 1.00 26.03 ? 15 ILE A O 1 ATOM 47 C CB . ILE A 1 7 ? 21.710 -16.937 29.539 1.00 26.39 ? 15 ILE A CB 1 ATOM 48 C CG1 . ILE A 1 7 ? 22.401 -16.074 30.610 1.00 28.22 ? 15 ILE A CG1 1 ATOM 49 C CG2 . ILE A 1 7 ? 21.985 -16.435 28.130 1.00 26.98 ? 15 ILE A CG2 1 ATOM 50 C CD1 . ILE A 1 7 ? 21.636 -14.881 31.149 1.00 29.47 ? 15 ILE A CD1 1 ATOM 51 N N . GLY A 1 8 ? 18.974 -17.778 27.800 1.00 25.96 ? 16 GLY A N 1 ATOM 52 C CA . GLY A 1 8 ? 18.436 -18.707 26.831 1.00 26.32 ? 16 GLY A CA 1 ATOM 53 C C . GLY A 1 8 ? 18.234 -18.091 25.459 1.00 26.50 ? 16 GLY A C 1 ATOM 54 O O . GLY A 1 8 ? 18.635 -16.955 25.205 1.00 26.74 ? 16 GLY A O 1 ATOM 55 N N . TYR A 1 9 ? 17.583 -18.853 24.589 1.00 26.49 ? 17 TYR A N 1 ATOM 56 C CA . TYR A 1 9 ? 17.417 -18.495 23.194 1.00 26.44 ? 17 TYR A CA 1 ATOM 57 C C . TYR A 1 9 ? 16.046 -18.913 22.675 1.00 27.09 ? 17 TYR A C 1 ATOM 58 O O . TYR A 1 9 ? 15.429 -19.829 23.214 1.00 27.56 ? 17 TYR A O 1 ATOM 59 C CB . TYR A 1 9 ? 18.563 -19.086 22.343 1.00 25.54 ? 17 TYR A CB 1 ATOM 60 C CG . TYR A 1 9 ? 18.819 -20.556 22.586 1.00 24.49 ? 17 TYR A CG 1 ATOM 61 C CD1 . TYR A 1 9 ? 18.137 -21.531 21.866 1.00 23.47 ? 17 TYR A CD1 1 ATOM 62 C CD2 . TYR A 1 9 ? 19.740 -20.974 23.532 1.00 23.43 ? 17 TYR A CD2 1 ATOM 63 C CE1 . TYR A 1 9 ? 18.369 -22.875 22.095 1.00 22.56 ? 17 TYR A CE1 1 ATOM 64 C CE2 . TYR A 1 9 ? 19.970 -22.316 23.769 1.00 22.87 ? 17 TYR A CE2 1 ATOM 65 C CZ . TYR A 1 9 ? 19.267 -23.257 23.048 1.00 22.79 ? 17 TYR A CZ 1 ATOM 66 O OH . TYR A 1 9 ? 19.496 -24.591 23.277 1.00 24.90 ? 17 TYR A OH 1 ATOM 67 N N . HIS A 1 10 ? 15.597 -18.202 21.641 1.00 27.80 ? 18 HIS A N 1 ATOM 68 C CA . HIS A 1 10 ? 14.350 -18.403 20.881 1.00 28.71 ? 18 HIS A CA 1 ATOM 69 C C . HIS A 1 10 ? 14.126 -19.808 20.316 1.00 29.53 ? 18 HIS A C 1 ATOM 70 O O . HIS A 1 10 ? 15.033 -20.427 19.748 1.00 29.66 ? 18 HIS A O 1 ATOM 71 C CB . HIS A 1 10 ? 14.370 -17.422 19.694 1.00 28.64 ? 18 HIS A CB 1 ATOM 72 C CG . HIS A 1 10 ? 13.079 -17.312 18.947 1.00 29.38 ? 18 HIS A CG 1 ATOM 73 N ND1 . HIS A 1 10 ? 11.945 -16.750 19.497 1.00 29.82 ? 18 HIS A ND1 1 ATOM 74 C CD2 . HIS A 1 10 ? 12.753 -17.644 17.674 1.00 29.75 ? 18 HIS A CD2 1 ATOM 75 C CE1 . HIS A 1 10 ? 10.971 -16.761 18.602 1.00 29.93 ? 18 HIS A CE1 1 ATOM 76 N NE2 . HIS A 1 10 ? 11.434 -17.298 17.488 1.00 29.82 ? 18 HIS A NE2 1 ATOM 77 N N . ALA A 1 11 ? 12.899 -20.294 20.460 1.00 30.29 ? 19 ALA A N 1 ATOM 78 C CA . ALA A 1 11 ? 12.438 -21.464 19.716 1.00 31.38 ? 19 ALA A CA 1 ATOM 79 C C . ALA A 1 11 ? 11.026 -21.177 19.237 1.00 31.99 ? 19 ALA A C 1 ATOM 80 O O . ALA A 1 11 ? 10.288 -20.440 19.884 1.00 32.14 ? 19 ALA A O 1 ATOM 81 C CB . ALA A 1 11 ? 12.486 -22.723 20.572 1.00 31.24 ? 19 ALA A CB 1 ATOM 82 N N . ASN A 1 12 ? 10.668 -21.716 18.080 1.00 33.16 ? 20 ASN A N 1 ATOM 83 C CA . ASN A 1 12 ? 9.324 -21.540 17.543 1.00 34.42 ? 20 ASN A CA 1 ATOM 84 C C . ASN A 1 12 ? 8.823 -22.839 16.920 1.00 35.69 ? 20 ASN A C 1 ATOM 85 O O . ASN A 1 12 ? 9.385 -23.906 17.182 1.00 36.11 ? 20 ASN A O 1 ATOM 86 C CB . ASN A 1 12 ? 9.262 -20.353 16.561 1.00 34.18 ? 20 ASN A CB 1 ATOM 87 C CG . ASN A 1 12 ? 10.259 -20.482 15.416 1.00 33.59 ? 20 ASN A CG 1 ATOM 88 O OD1 . ASN A 1 12 ? 10.820 -21.545 15.188 1.00 31.97 ? 20 ASN A OD1 1 ATOM 89 N ND2 . ASN A 1 12 ? 10.470 -19.393 14.686 1.00 34.23 ? 20 ASN A ND2 1 ATOM 90 N N . ASN A 1 13 ? 7.767 -22.756 16.117 1.00 37.02 ? 21 ASN A N 1 ATOM 91 C CA . ASN A 1 13 ? 7.188 -23.938 15.489 1.00 38.82 ? 21 ASN A CA 1 ATOM 92 C C . ASN A 1 13 ? 7.701 -24.153 14.054 1.00 39.33 ? 21 ASN A C 1 ATOM 93 O O . ASN A 1 13 ? 7.086 -24.880 13.265 1.00 39.35 ? 21 ASN A O 1 ATOM 94 C CB . ASN A 1 13 ? 5.653 -23.838 15.512 1.00 39.83 ? 21 ASN A CB 1 ATOM 95 C CG . ASN A 1 13 ? 5.127 -22.640 14.711 1.00 42.20 ? 21 ASN A CG 1 ATOM 96 O OD1 . ASN A 1 13 ? 5.911 -21.871 14.133 1.00 44.55 ? 21 ASN A OD1 1 ATOM 97 N ND2 . ASN A 1 13 ? 3.794 -22.489 14.659 1.00 43.25 ? 21 ASN A ND2 1 ATOM 98 N N . SER A 1 14 ? 8.827 -23.516 13.729 1.00 39.35 ? 22 SER A N 1 ATOM 99 C CA . SER A 1 14 ? 9.393 -23.567 12.391 1.00 39.62 ? 22 SER A CA 1 ATOM 100 C C . SER A 1 14 ? 9.906 -24.951 12.046 1.00 39.91 ? 22 SER A C 1 ATOM 101 O O . SER A 1 14 ? 10.444 -25.665 12.893 1.00 39.81 ? 22 SER A O 1 ATOM 102 C CB . SER A 1 14 ? 10.507 -22.538 12.215 1.00 39.52 ? 22 SER A CB 1 ATOM 103 O OG . SER A 1 14 ? 11.243 -22.795 11.034 1.00 40.06 ? 22 SER A OG 1 ATOM 104 N N . THR A 1 15 ? 9.715 -25.305 10.779 1.00 40.46 ? 23 THR A N 1 ATOM 105 C CA . THR A 1 15 ? 10.109 -26.592 10.221 1.00 40.75 ? 23 THR A CA 1 ATOM 106 C C . THR A 1 15 ? 11.068 -26.381 9.063 1.00 40.08 ? 23 THR A C 1 ATOM 107 O O . THR A 1 15 ? 11.403 -27.330 8.368 1.00 40.08 ? 23 THR A O 1 ATOM 108 C CB . THR A 1 15 ? 8.879 -27.377 9.701 1.00 40.92 ? 23 THR A CB 1 ATOM 109 O OG1 . THR A 1 15 ? 8.036 -26.494 8.944 1.00 41.96 ? 23 THR A OG1 1 ATOM 110 C CG2 . THR A 1 15 ? 8.088 -27.977 10.867 1.00 41.84 ? 23 THR A CG2 1 ATOM 111 N N . GLU A 1 16 ? 11.483 -25.129 8.865 1.00 39.86 ? 24 GLU A N 1 ATOM 112 C CA . GLU A 1 16 ? 12.484 -24.739 7.860 1.00 39.77 ? 24 GLU A CA 1 ATOM 113 C C . GLU A 1 16 ? 13.787 -25.526 8.000 1.00 38.90 ? 24 GLU A C 1 ATOM 114 O O . GLU A 1 16 ? 14.347 -25.621 9.094 1.00 38.32 ? 24 GLU A O 1 ATOM 115 C CB . GLU A 1 16 ? 12.794 -23.233 7.954 1.00 40.15 ? 24 GLU A CB 1 ATOM 116 C CG . GLU A 1 16 ? 11.616 -22.305 7.665 1.00 42.62 ? 24 GLU A CG 1 ATOM 117 C CD . GLU A 1 16 ? 11.077 -22.475 6.246 1.00 46.65 ? 24 GLU A CD 1 ATOM 118 O OE1 . GLU A 1 16 ? 11.831 -22.172 5.282 1.00 47.95 ? 24 GLU A OE1 1 ATOM 119 O OE2 . GLU A 1 16 ? 9.909 -22.921 6.101 1.00 47.29 ? 24 GLU A OE2 1 ATOM 120 N N . LYS A 1 17 ? 14.266 -26.072 6.882 1.00 38.20 ? 25 LYS A N 1 ATOM 121 C CA . LYS A 1 17 ? 15.499 -26.867 6.864 1.00 37.48 ? 25 LYS A CA 1 ATOM 122 C C . LYS A 1 17 ? 16.601 -26.139 6.132 1.00 36.67 ? 25 LYS A C 1 ATOM 123 O O . LYS A 1 17 ? 16.344 -25.448 5.149 1.00 36.60 ? 25 LYS A O 1 ATOM 124 C CB . LYS A 1 17 ? 15.275 -28.226 6.187 1.00 37.79 ? 25 LYS A CB 1 ATOM 125 C CG . LYS A 1 17 ? 14.285 -29.136 6.896 1.00 38.15 ? 25 LYS A CG 1 ATOM 126 C CD . LYS A 1 17 ? 14.891 -29.724 8.145 1.00 40.29 ? 25 LYS A CD 1 ATOM 127 C CE . LYS A 1 17 ? 14.002 -30.773 8.756 1.00 40.22 ? 25 LYS A CE 1 ATOM 128 N NZ . LYS A 1 17 ? 14.776 -31.412 9.856 1.00 44.00 ? 25 LYS A NZ 1 ATOM 129 N N . VAL A 1 18 ? 17.827 -26.292 6.623 1.00 35.38 ? 26 VAL A N 1 ATOM 130 C CA . VAL A 1 18 ? 19.015 -25.838 5.906 1.00 34.28 ? 26 VAL A CA 1 ATOM 131 C C . VAL A 1 18 ? 20.076 -26.922 5.962 1.00 33.68 ? 26 VAL A C 1 ATOM 132 O O . VAL A 1 18 ? 20.048 -27.775 6.834 1.00 33.52 ? 26 VAL A O 1 ATOM 133 C CB . VAL A 1 18 ? 19.610 -24.502 6.465 1.00 34.48 ? 26 VAL A CB 1 ATOM 134 C CG1 . VAL A 1 18 ? 18.597 -23.370 6.384 1.00 35.07 ? 26 VAL A CG1 1 ATOM 135 C CG2 . VAL A 1 18 ? 20.138 -24.668 7.894 1.00 32.52 ? 26 VAL A CG2 1 ATOM 136 N N . ASP A 1 19 ? 21.021 -26.868 5.030 1.00 33.43 ? 27 ASP A N 1 ATOM 137 C CA . ASP A 1 19 ? 22.199 -27.718 5.067 1.00 32.85 ? 27 ASP A CA 1 ATOM 138 C C . ASP A 1 19 ? 23.410 -26.890 5.490 1.00 32.20 ? 27 ASP A C 1 ATOM 139 O O . ASP A 1 19 ? 23.471 -25.679 5.249 1.00 31.91 ? 27 ASP A O 1 ATOM 140 C CB . ASP A 1 19 ? 22.464 -28.341 3.690 1.00 33.51 ? 27 ASP A CB 1 ATOM 141 C CG . ASP A 1 19 ? 21.400 -29.345 3.267 1.00 35.20 ? 27 ASP A CG 1 ATOM 142 O OD1 . ASP A 1 19 ? 20.743 -29.957 4.137 1.00 36.65 ? 27 ASP A OD1 1 ATOM 143 O OD2 . ASP A 1 19 ? 21.223 -29.526 2.034 1.00 39.42 ? 27 ASP A OD2 1 ATOM 144 N N . THR A 1 20 ? 24.370 -27.555 6.119 1.00 31.30 ? 28 THR A N 1 ATOM 145 C CA . THR A 1 20 ? 25.621 -26.932 6.510 1.00 31.07 ? 28 THR A CA 1 ATOM 146 C C . THR A 1 20 ? 26.712 -27.882 6.044 1.00 31.45 ? 28 THR A C 1 ATOM 147 O O . THR A 1 20 ? 26.418 -28.858 5.341 1.00 31.92 ? 28 THR A O 1 ATOM 148 C CB . THR A 1 20 ? 25.728 -26.703 8.058 1.00 30.55 ? 28 THR A CB 1 ATOM 149 O OG1 . THR A 1 20 ? 25.774 -27.968 8.735 1.00 29.32 ? 28 THR A OG1 1 ATOM 150 C CG2 . THR A 1 20 ? 24.554 -25.864 8.598 1.00 29.70 ? 28 THR A CG2 1 ATOM 151 N N . ILE A 1 21 ? 27.955 -27.610 6.431 1.00 31.28 ? 29 ILE A N 1 ATOM 152 C CA . ILE A 1 21 ? 29.085 -28.477 6.089 1.00 31.65 ? 29 ILE A CA 1 ATOM 153 C C . ILE A 1 21 ? 29.082 -29.779 6.907 1.00 32.29 ? 29 ILE A C 1 ATOM 154 O O . ILE A 1 21 ? 29.205 -30.871 6.351 1.00 32.97 ? 29 ILE A O 1 ATOM 155 C CB . ILE A 1 21 ? 30.442 -27.716 6.240 1.00 31.64 ? 29 ILE A CB 1 ATOM 156 C CG1 . ILE A 1 21 ? 30.557 -26.575 5.210 1.00 31.18 ? 29 ILE A CG1 1 ATOM 157 C CG2 . ILE A 1 21 ? 31.635 -28.666 6.164 1.00 31.47 ? 29 ILE A CG2 1 ATOM 158 C CD1 . ILE A 1 21 ? 30.891 -27.007 3.750 1.00 30.86 ? 29 ILE A CD1 1 ATOM 159 N N . LEU A 1 22 ? 28.937 -29.656 8.222 1.00 32.42 ? 30 LEU A N 1 ATOM 160 C CA . LEU A 1 22 ? 28.988 -30.789 9.138 1.00 33.03 ? 30 LEU A CA 1 ATOM 161 C C . LEU A 1 22 ? 27.691 -31.604 9.226 1.00 33.06 ? 30 LEU A C 1 ATOM 162 O O . LEU A 1 22 ? 27.695 -32.718 9.746 1.00 32.89 ? 30 LEU A O 1 ATOM 163 C CB . LEU A 1 22 ? 29.336 -30.282 10.539 1.00 32.95 ? 30 LEU A CB 1 ATOM 164 C CG . LEU A 1 22 ? 30.759 -30.167 11.079 1.00 33.71 ? 30 LEU A CG 1 ATOM 165 C CD1 . LEU A 1 22 ? 31.855 -30.225 10.050 1.00 34.97 ? 30 LEU A CD1 1 ATOM 166 C CD2 . LEU A 1 22 ? 30.845 -28.906 11.912 1.00 35.60 ? 30 LEU A CD2 1 ATOM 167 N N . GLU A 1 23 ? 26.589 -31.047 8.743 1.00 33.31 ? 31 GLU A N 1 ATOM 168 C CA . GLU A 1 23 ? 25.279 -31.618 9.012 1.00 34.42 ? 31 GLU A CA 1 ATOM 169 C C . GLU A 1 23 ? 24.231 -31.146 8.011 1.00 34.59 ? 31 GLU A C 1 ATOM 170 O O . GLU A 1 23 ? 24.119 -29.955 7.725 1.00 35.08 ? 31 GLU A O 1 ATOM 171 C CB . GLU A 1 23 ? 24.862 -31.274 10.451 1.00 34.30 ? 31 GLU A CB 1 ATOM 172 C CG . GLU A 1 23 ? 23.503 -31.803 10.897 1.00 35.11 ? 31 GLU A CG 1 ATOM 173 C CD . GLU A 1 23 ? 23.183 -31.455 12.357 1.00 35.81 ? 31 GLU A CD 1 ATOM 174 O OE1 . GLU A 1 23 ? 23.984 -30.740 13.021 1.00 37.14 ? 31 GLU A OE1 1 ATOM 175 O OE2 . GLU A 1 23 ? 22.128 -31.909 12.844 1.00 36.62 ? 31 GLU A OE2 1 ATOM 176 N N . ARG A 1 24 ? 23.470 -32.091 7.472 1.00 35.48 ? 32 ARG A N 1 ATOM 177 C CA . ARG A 1 24 ? 22.387 -31.772 6.534 1.00 36.30 ? 32 ARG A CA 1 ATOM 178 C C . ARG A 1 24 ? 21.038 -31.849 7.238 1.00 36.27 ? 32 ARG A C 1 ATOM 179 O O . ARG A 1 24 ? 20.918 -32.543 8.244 1.00 36.25 ? 32 ARG A O 1 ATOM 180 C CB . ARG A 1 24 ? 22.412 -32.744 5.357 1.00 36.62 ? 32 ARG A CB 1 ATOM 181 C CG . ARG A 1 24 ? 23.737 -32.795 4.636 1.00 38.69 ? 32 ARG A CG 1 ATOM 182 C CD . ARG A 1 24 ? 23.648 -33.604 3.376 1.00 43.72 ? 32 ARG A CD 1 ATOM 183 N NE . ARG A 1 24 ? 24.977 -33.967 2.884 1.00 47.91 ? 32 ARG A NE 1 ATOM 184 C CZ . ARG A 1 24 ? 25.213 -34.551 1.708 1.00 50.84 ? 32 ARG A CZ 1 ATOM 185 N NH1 . ARG A 1 24 ? 24.200 -34.830 0.888 1.00 50.85 ? 32 ARG A NH1 1 ATOM 186 N NH2 . ARG A 1 24 ? 26.464 -34.852 1.346 1.00 51.28 ? 32 ARG A NH2 1 ATOM 187 N N . ASN A 1 25 ? 20.034 -31.132 6.719 1.00 36.77 ? 33 ASN A N 1 ATOM 188 C CA . ASN A 1 25 ? 18.656 -31.262 7.203 1.00 37.39 ? 33 ASN A CA 1 ATOM 189 C C . ASN A 1 25 ? 18.478 -30.650 8.614 1.00 36.05 ? 33 ASN A C 1 ATOM 190 O O . ASN A 1 25 ? 17.899 -31.266 9.520 1.00 35.62 ? 33 ASN A O 1 ATOM 191 C CB . ASN A 1 25 ? 18.251 -32.754 7.167 1.00 38.96 ? 33 ASN A CB 1 ATOM 192 C CG . ASN A 1 25 ? 16.749 -32.979 7.079 1.00 44.25 ? 33 ASN A CG 1 ATOM 193 O OD1 . ASN A 1 25 ? 16.000 -32.131 6.582 1.00 46.87 ? 33 ASN A OD1 1 ATOM 194 N ND2 . ASN A 1 25 ? 16.316 -34.168 7.526 1.00 53.39 ? 33 ASN A ND2 1 ATOM 195 N N . VAL A 1 26 ? 18.983 -29.429 8.784 1.00 34.42 ? 34 VAL A N 1 ATOM 196 C CA . VAL A 1 26 ? 18.963 -28.752 10.074 1.00 32.70 ? 34 VAL A CA 1 ATOM 197 C C . VAL A 1 26 ? 17.762 -27.821 10.160 1.00 31.75 ? 34 VAL A C 1 ATOM 198 O O . VAL A 1 26 ? 17.581 -26.956 9.301 1.00 31.22 ? 34 VAL A O 1 ATOM 199 C CB . VAL A 1 26 ? 20.288 -27.965 10.337 1.00 32.65 ? 34 VAL A CB 1 ATOM 200 C CG1 . VAL A 1 26 ? 20.266 -27.251 11.700 1.00 32.31 ? 34 VAL A CG1 1 ATOM 201 C CG2 . VAL A 1 26 ? 21.493 -28.890 10.245 1.00 32.12 ? 34 VAL A CG2 1 ATOM 202 N N . THR A 1 27 ? 16.958 -28.001 11.209 1.00 30.67 ? 35 THR A N 1 ATOM 203 C CA . THR A 1 27 ? 15.818 -27.117 11.501 1.00 29.81 ? 35 THR A CA 1 ATOM 204 C C . THR A 1 27 ? 16.279 -25.830 12.177 1.00 29.01 ? 35 THR A C 1 ATOM 205 O O . THR A 1 27 ? 17.024 -25.862 13.147 1.00 28.50 ? 35 THR A O 1 ATOM 206 C CB . THR A 1 27 ? 14.758 -27.814 12.391 1.00 29.91 ? 35 THR A CB 1 ATOM 207 O OG1 . THR A 1 27 ? 14.471 -29.107 11.856 1.00 31.28 ? 35 THR A OG1 1 ATOM 208 C CG2 . THR A 1 27 ? 13.449 -27.003 12.456 1.00 29.39 ? 35 THR A CG2 1 ATOM 209 N N . VAL A 1 28 ? 15.809 -24.704 11.652 1.00 28.64 ? 36 VAL A N 1 ATOM 210 C CA . VAL A 1 28 ? 16.215 -23.387 12.113 1.00 28.73 ? 36 VAL A CA 1 ATOM 211 C C . VAL A 1 28 ? 14.982 -22.531 12.349 1.00 28.75 ? 36 VAL A C 1 ATOM 212 O O . VAL A 1 28 ? 13.937 -22.756 11.744 1.00 29.23 ? 36 VAL A O 1 ATOM 213 C CB . VAL A 1 28 ? 17.172 -22.685 11.088 1.00 28.72 ? 36 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 28 ? 18.497 -23.411 11.018 1.00 27.74 ? 36 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 28 ? 16.504 -22.559 9.668 1.00 28.79 ? 36 VAL A CG2 1 ATOM 216 N N . THR A 1 29 ? 15.106 -21.553 13.229 1.00 29.40 ? 37 THR A N 1 ATOM 217 C CA . THR A 1 29 ? 13.965 -20.724 13.627 1.00 29.80 ? 37 THR A CA 1 ATOM 218 C C . THR A 1 29 ? 13.472 -19.844 12.481 1.00 30.79 ? 37 THR A C 1 ATOM 219 O O . THR A 1 29 ? 12.264 -19.603 12.350 1.00 30.56 ? 37 THR A O 1 ATOM 220 C CB . THR A 1 29 ? 14.274 -19.866 14.869 1.00 29.34 ? 37 THR A CB 1 ATOM 221 O OG1 . THR A 1 29 ? 15.410 -19.037 14.610 1.00 29.30 ? 37 THR A OG1 1 ATOM 222 C CG2 . THR A 1 29 ? 14.543 -20.750 16.086 1.00 27.97 ? 37 THR A CG2 1 ATOM 223 N N . HIS A 1 30 ? 14.421 -19.374 11.666 1.00 31.91 ? 38 HIS A N 1 ATOM 224 C CA . HIS A 1 30 ? 14.161 -18.501 10.514 1.00 32.75 ? 38 HIS A CA 1 ATOM 225 C C . HIS A 1 30 ? 15.154 -18.840 9.395 1.00 32.71 ? 38 HIS A C 1 ATOM 226 O O . HIS A 1 30 ? 16.299 -19.234 9.652 1.00 31.93 ? 38 HIS A O 1 ATOM 227 C CB . HIS A 1 30 ? 14.318 -17.014 10.881 1.00 33.40 ? 38 HIS A CB 1 ATOM 228 C CG . HIS A 1 30 ? 13.554 -16.588 12.100 1.00 35.18 ? 38 HIS A CG 1 ATOM 229 N ND1 . HIS A 1 30 ? 14.064 -16.704 13.377 1.00 37.76 ? 38 HIS A ND1 1 ATOM 230 C CD2 . HIS A 1 30 ? 12.330 -16.024 12.233 1.00 36.34 ? 38 HIS A CD2 1 ATOM 231 C CE1 . HIS A 1 30 ? 13.182 -16.235 14.244 1.00 37.63 ? 38 HIS A CE1 1 ATOM 232 N NE2 . HIS A 1 30 ? 12.120 -15.821 13.574 1.00 37.26 ? 38 HIS A NE2 1 ATOM 233 N N . ALA A 1 31 ? 14.701 -18.694 8.156 1.00 33.72 ? 39 ALA A N 1 ATOM 234 C CA . ALA A 1 31 ? 15.476 -19.057 6.969 1.00 34.51 ? 39 ALA A CA 1 ATOM 235 C C . ALA A 1 31 ? 15.033 -18.205 5.780 1.00 35.50 ? 39 ALA A C 1 ATOM 236 O O . ALA A 1 31 ? 13.886 -17.752 5.722 1.00 35.65 ? 39 ALA A O 1 ATOM 237 C CB . ALA A 1 31 ? 15.300 -20.536 6.656 1.00 34.01 ? 39 ALA A CB 1 ATOM 238 N N . LYS A 1 32 ? 15.950 -17.993 4.838 1.00 36.44 ? 40 LYS A N 1 ATOM 239 C CA . LYS A 1 32 ? 15.675 -17.210 3.635 1.00 37.25 ? 40 LYS A CA 1 ATOM 240 C C . LYS A 1 32 ? 16.031 -18.018 2.396 1.00 37.49 ? 40 LYS A C 1 ATOM 241 O O . LYS A 1 32 ? 17.206 -18.199 2.075 1.00 37.95 ? 40 LYS A O 1 ATOM 242 C CB . LYS A 1 32 ? 16.446 -15.875 3.665 1.00 37.60 ? 40 LYS A CB 1 ATOM 243 C CG . LYS A 1 32 ? 16.316 -15.011 2.409 1.00 39.21 ? 40 LYS A CG 1 ATOM 244 C CD . LYS A 1 32 ? 14.952 -14.359 2.304 1.00 42.97 ? 40 LYS A CD 1 ATOM 245 C CE . LYS A 1 32 ? 14.800 -13.580 1.000 1.00 45.68 ? 40 LYS A CE 1 ATOM 246 N NZ . LYS A 1 32 ? 13.401 -13.045 0.864 1.00 49.03 ? 40 LYS A NZ 1 ATOM 247 N N . ASP A 1 33 ? 14.998 -18.516 1.728 1.00 37.91 ? 41 ASP A N 1 ATOM 248 C CA . ASP A 1 33 ? 15.086 -19.114 0.400 1.00 38.19 ? 41 ASP A CA 1 ATOM 249 C C . ASP A 1 33 ? 15.493 -18.041 -0.600 1.00 38.27 ? 41 ASP A C 1 ATOM 250 O O . ASP A 1 33 ? 14.787 -17.028 -0.750 1.00 38.22 ? 41 ASP A O 1 ATOM 251 C CB . ASP A 1 33 ? 13.712 -19.661 0.026 1.00 38.46 ? 41 ASP A CB 1 ATOM 252 C CG . ASP A 1 33 ? 13.726 -20.524 -1.227 1.00 40.17 ? 41 ASP A CG 1 ATOM 253 O OD1 . ASP A 1 33 ? 14.800 -20.749 -1.840 1.00 41.82 ? 41 ASP A OD1 1 ATOM 254 O OD2 . ASP A 1 33 ? 12.632 -20.995 -1.595 1.00 40.68 ? 41 ASP A OD2 1 ATOM 255 N N . ILE A 1 34 ? 16.631 -18.260 -1.267 1.00 38.05 ? 42 ILE A N 1 ATOM 256 C CA . ILE A 1 34 ? 17.154 -17.304 -2.252 1.00 37.90 ? 42 ILE A CA 1 ATOM 257 C C . ILE A 1 34 ? 17.044 -17.778 -3.720 1.00 37.60 ? 42 ILE A C 1 ATOM 258 O O . ILE A 1 34 ? 17.548 -17.119 -4.619 1.00 37.46 ? 42 ILE A O 1 ATOM 259 C CB . ILE A 1 34 ? 18.612 -16.831 -1.921 1.00 37.81 ? 42 ILE A CB 1 ATOM 260 C CG1 . ILE A 1 34 ? 19.595 -18.010 -1.885 1.00 37.91 ? 42 ILE A CG1 1 ATOM 261 C CG2 . ILE A 1 34 ? 18.636 -16.007 -0.621 1.00 38.09 ? 42 ILE A CG2 1 ATOM 262 C CD1 . ILE A 1 34 ? 21.058 -17.611 -1.774 1.00 37.39 ? 42 ILE A CD1 1 ATOM 263 N N . LEU A 1 35 ? 16.366 -18.906 -3.938 1.00 37.85 ? 43 LEU A N 1 ATOM 264 C CA . LEU A 1 35 ? 16.167 -19.483 -5.271 1.00 37.85 ? 43 LEU A CA 1 ATOM 265 C C . LEU A 1 35 ? 14.709 -19.383 -5.793 1.00 38.36 ? 43 LEU A C 1 ATOM 266 O O . LEU A 1 35 ? 13.800 -19.994 -5.229 1.00 38.91 ? 43 LEU A O 1 ATOM 267 C CB . LEU A 1 35 ? 16.645 -20.946 -5.278 1.00 37.84 ? 43 LEU A CB 1 ATOM 268 C CG . LEU A 1 35 ? 16.605 -21.756 -6.586 1.00 37.18 ? 43 LEU A CG 1 ATOM 269 C CD1 . LEU A 1 35 ? 17.580 -21.192 -7.588 1.00 37.77 ? 43 LEU A CD1 1 ATOM 270 C CD2 . LEU A 1 35 ? 16.951 -23.191 -6.313 1.00 36.86 ? 43 LEU A CD2 1 ATOM 271 N N . GLU A 1 36 ? 14.498 -18.626 -6.873 1.00 38.32 ? 44 GLU A N 1 ATOM 272 C CA . GLU A 1 36 ? 13.190 -18.574 -7.531 1.00 38.12 ? 44 GLU A CA 1 ATOM 273 C C . GLU A 1 36 ? 12.985 -19.819 -8.394 1.00 37.90 ? 44 GLU A C 1 ATOM 274 O O . GLU A 1 36 ? 13.824 -20.160 -9.205 1.00 37.35 ? 44 GLU A O 1 ATOM 275 C CB . GLU A 1 36 ? 13.037 -17.306 -8.370 1.00 38.24 ? 44 GLU A CB 1 ATOM 276 C CG . GLU A 1 36 ? 11.636 -17.118 -8.984 1.00 39.53 ? 44 GLU A CG 1 ATOM 277 C CD . GLU A 1 36 ? 10.524 -17.245 -7.930 1.00 40.91 ? 44 GLU A CD 1 ATOM 278 O OE1 . GLU A 1 36 ? 10.359 -16.330 -7.095 1.00 40.83 ? 44 GLU A OE1 1 ATOM 279 O OE2 . GLU A 1 36 ? 9.821 -18.276 -7.938 1.00 41.87 ? 44 GLU A OE2 1 ATOM 280 N N . LYS A 1 37 ? 11.871 -20.509 -8.210 1.00 37.89 ? 45 LYS A N 1 ATOM 281 C CA . LYS A 1 37 ? 11.680 -21.776 -8.904 1.00 38.51 ? 45 LYS A CA 1 ATOM 282 C C . LYS A 1 37 ? 10.416 -21.771 -9.774 1.00 38.77 ? 45 LYS A C 1 ATOM 283 O O . LYS A 1 37 ? 10.113 -22.753 -10.445 1.00 39.15 ? 45 LYS A O 1 ATOM 284 C CB . LYS A 1 37 ? 11.681 -22.951 -7.905 1.00 38.19 ? 45 LYS A CB 1 ATOM 285 C CG . LYS A 1 37 ? 12.923 -22.996 -7.005 1.00 37.37 ? 45 LYS A CG 1 ATOM 286 C CD . LYS A 1 37 ? 12.803 -24.033 -5.879 1.00 38.83 ? 45 LYS A CD 1 ATOM 287 C CE . LYS A 1 37 ? 12.206 -23.461 -4.593 1.00 39.45 ? 45 LYS A CE 1 ATOM 288 N NZ . LYS A 1 37 ? 13.040 -22.386 -3.947 1.00 39.75 ? 45 LYS A NZ 1 ATOM 289 N N . THR A 1 38 ? 9.693 -20.660 -9.770 1.00 39.17 ? 46 THR A N 1 ATOM 290 C CA . THR A 1 38 ? 8.399 -20.606 -10.455 1.00 39.71 ? 46 THR A CA 1 ATOM 291 C C . THR A 1 38 ? 8.325 -19.536 -11.549 1.00 39.30 ? 46 THR A C 1 ATOM 292 O O . THR A 1 38 ? 8.990 -18.495 -11.483 1.00 38.98 ? 46 THR A O 1 ATOM 293 C CB . THR A 1 38 ? 7.231 -20.380 -9.467 1.00 39.70 ? 46 THR A CB 1 ATOM 294 O OG1 . THR A 1 38 ? 7.410 -19.129 -8.796 1.00 41.09 ? 46 THR A OG1 1 ATOM 295 C CG2 . THR A 1 38 ? 7.161 -21.502 -8.430 1.00 40.96 ? 46 THR A CG2 1 ATOM 296 N N . HIS A 1 39 ? 7.485 -19.804 -12.545 1.00 38.94 ? 47 HIS A N 1 ATOM 297 C CA . HIS A 1 39 ? 7.269 -18.888 -13.647 1.00 38.77 ? 47 HIS A CA 1 ATOM 298 C C . HIS A 1 39 ? 5.766 -18.952 -13.976 1.00 38.81 ? 47 HIS A C 1 ATOM 299 O O . HIS A 1 39 ? 5.065 -19.838 -13.460 1.00 39.16 ? 47 HIS A O 1 ATOM 300 C CB . HIS A 1 39 ? 8.140 -19.306 -14.829 1.00 38.53 ? 47 HIS A CB 1 ATOM 301 C CG . HIS A 1 39 ? 7.909 -20.718 -15.268 1.00 38.96 ? 47 HIS A CG 1 ATOM 302 N ND1 . HIS A 1 39 ? 6.804 -21.096 -16.000 1.00 38.75 ? 47 HIS A ND1 1 ATOM 303 C CD2 . HIS A 1 39 ? 8.611 -21.851 -15.036 1.00 38.79 ? 47 HIS A CD2 1 ATOM 304 C CE1 . HIS A 1 39 ? 6.851 -22.398 -16.219 1.00 39.48 ? 47 HIS A CE1 1 ATOM 305 N NE2 . HIS A 1 39 ? 7.936 -22.880 -15.640 1.00 37.89 ? 47 HIS A NE2 1 ATOM 306 N N . ASN A 1 40 ? 5.264 -18.021 -14.798 1.00 38.07 ? 48 ASN A N 1 ATOM 307 C CA . ASN A 1 40 ? 3.810 -17.957 -15.108 1.00 37.28 ? 48 ASN A CA 1 ATOM 308 C C . ASN A 1 40 ? 3.349 -18.832 -16.277 1.00 36.46 ? 48 ASN A C 1 ATOM 309 O O . ASN A 1 40 ? 2.175 -18.862 -16.600 1.00 37.10 ? 48 ASN A O 1 ATOM 310 C CB . ASN A 1 40 ? 3.328 -16.503 -15.293 1.00 37.26 ? 48 ASN A CB 1 ATOM 311 C CG . ASN A 1 40 ? 3.861 -15.858 -16.564 1.00 36.73 ? 48 ASN A CG 1 ATOM 312 O OD1 . ASN A 1 40 ? 4.548 -16.493 -17.354 1.00 36.35 ? 48 ASN A OD1 1 ATOM 313 N ND2 . ASN A 1 40 ? 3.549 -14.585 -16.757 1.00 36.88 ? 48 ASN A ND2 1 ATOM 314 N N . GLY A 1 41 ? 4.284 -19.532 -16.907 1.00 35.93 ? 49 GLY A N 1 ATOM 315 C CA . GLY A 1 41 ? 4.003 -20.387 -18.061 1.00 35.18 ? 49 GLY A CA 1 ATOM 316 C C . GLY A 1 41 ? 3.629 -19.651 -19.344 1.00 34.68 ? 49 GLY A C 1 ATOM 317 O O . GLY A 1 41 ? 3.223 -20.281 -20.306 1.00 34.02 ? 49 GLY A O 1 ATOM 318 N N . LYS A 1 42 ? 3.777 -18.323 -19.361 1.00 34.07 ? 50 LYS A N 1 ATOM 319 C CA . LYS A 1 42 ? 3.336 -17.510 -20.495 1.00 33.66 ? 50 LYS A CA 1 ATOM 320 C C . LYS A 1 42 ? 4.471 -16.765 -21.171 1.00 33.17 ? 50 LYS A C 1 ATOM 321 O O . LYS A 1 42 ? 5.436 -16.347 -20.516 1.00 32.40 ? 50 LYS A O 1 ATOM 322 C CB . LYS A 1 42 ? 2.292 -16.486 -20.055 1.00 33.25 ? 50 LYS A CB 1 ATOM 323 C CG . LYS A 1 42 ? 1.032 -17.074 -19.481 1.00 34.41 ? 50 LYS A CG 1 ATOM 324 C CD . LYS A 1 42 ? 0.186 -15.969 -18.855 1.00 35.72 ? 50 LYS A CD 1 ATOM 325 C CE . LYS A 1 42 ? -1.158 -16.475 -18.439 1.00 37.55 ? 50 LYS A CE 1 ATOM 326 N NZ . LYS A 1 42 ? -2.059 -15.305 -18.263 1.00 42.40 ? 50 LYS A NZ 1 ATOM 327 N N . LEU A 1 43 ? 4.327 -16.575 -22.479 1.00 32.57 ? 51 LEU A N 1 ATOM 328 C CA . LEU A 1 43 ? 5.153 -15.623 -23.199 1.00 33.16 ? 51 LEU A CA 1 ATOM 329 C C . LEU A 1 43 ? 4.500 -14.237 -23.097 1.00 33.03 ? 51 LEU A C 1 ATOM 330 O O . LEU A 1 43 ? 3.309 -14.083 -23.316 1.00 32.30 ? 51 LEU A O 1 ATOM 331 C CB . LEU A 1 43 ? 5.372 -16.073 -24.643 1.00 32.94 ? 51 LEU A CB 1 ATOM 332 C CG . LEU A 1 43 ? 5.894 -17.511 -24.758 1.00 35.03 ? 51 LEU A CG 1 ATOM 333 C CD1 . LEU A 1 43 ? 5.796 -18.004 -26.164 1.00 34.65 ? 51 LEU A CD1 1 ATOM 334 C CD2 . LEU A 1 43 ? 7.334 -17.691 -24.222 1.00 36.10 ? 51 LEU A CD2 1 ATOM 335 N N . CYS A 1 44 ? 5.291 -13.239 -22.727 1.00 33.89 ? 52 CYS A N 1 ATOM 336 C CA . CYS A 1 44 ? 4.750 -11.929 -22.362 1.00 35.09 ? 52 CYS A CA 1 ATOM 337 C C . CYS A 1 44 ? 5.459 -10.778 -23.077 1.00 35.68 ? 52 CYS A C 1 ATOM 338 O O . CYS A 1 44 ? 6.572 -10.933 -23.603 1.00 34.90 ? 52 CYS A O 1 ATOM 339 C CB . CYS A 1 44 ? 4.920 -11.722 -20.847 1.00 35.76 ? 52 CYS A CB 1 ATOM 340 S SG . CYS A 1 44 ? 3.995 -12.891 -19.825 1.00 37.55 ? 52 CYS A SG 1 ATOM 341 N N . LYS A 1 45 ? 4.822 -9.616 -23.049 1.00 35.80 ? 53 LYS A N 1 ATOM 342 C CA . LYS A 1 45 ? 5.498 -8.370 -23.347 1.00 37.41 ? 53 LYS A CA 1 ATOM 343 C C . LYS A 1 45 ? 6.637 -8.187 -22.346 1.00 38.28 ? 53 LYS A C 1 ATOM 344 O O . LYS A 1 45 ? 6.535 -8.625 -21.192 1.00 38.08 ? 53 LYS A O 1 ATOM 345 C CB . LYS A 1 45 ? 4.520 -7.192 -23.257 1.00 36.87 ? 53 LYS A CB 1 ATOM 346 C CG . LYS A 1 45 ? 3.378 -7.257 -24.261 1.00 38.15 ? 53 LYS A CG 1 ATOM 347 C CD . LYS A 1 45 ? 2.514 -5.980 -24.224 1.00 38.92 ? 53 LYS A CD 1 ATOM 348 C CE . LYS A 1 45 ? 1.605 -5.947 -23.017 1.00 43.09 ? 53 LYS A CE 1 ATOM 349 N NZ . LYS A 1 45 ? 0.485 -6.929 -23.197 1.00 45.09 ? 53 LYS A NZ 1 ATOM 350 N N . LEU A 1 46 A 7.734 -7.590 -22.813 1.00 38.87 ? 53 LEU A N 1 ATOM 351 C CA . LEU A 1 46 A 8.873 -7.269 -21.975 1.00 40.21 ? 53 LEU A CA 1 ATOM 352 C C . LEU A 1 46 A 8.914 -5.753 -21.853 1.00 41.01 ? 53 LEU A C 1 ATOM 353 O O . LEU A 1 46 A 9.183 -5.060 -22.844 1.00 41.18 ? 53 LEU A O 1 ATOM 354 C CB . LEU A 1 46 A 10.178 -7.819 -22.585 1.00 39.86 ? 53 LEU A CB 1 ATOM 355 C CG . LEU A 1 46 A 11.424 -7.885 -21.684 1.00 40.39 ? 53 LEU A CG 1 ATOM 356 C CD1 . LEU A 1 46 A 11.293 -8.925 -20.584 1.00 40.55 ? 53 LEU A CD1 1 ATOM 357 C CD2 . LEU A 1 46 A 12.664 -8.171 -22.510 1.00 40.38 ? 53 LEU A CD2 1 ATOM 358 N N . ASN A 1 47 ? 8.598 -5.259 -20.649 1.00 41.88 ? 54 ASN A N 1 ATOM 359 C CA . ASN A 1 47 ? 8.439 -3.817 -20.340 1.00 42.47 ? 54 ASN A CA 1 ATOM 360 C C . ASN A 1 47 ? 7.440 -3.088 -21.205 1.00 41.70 ? 54 ASN A C 1 ATOM 361 O O . ASN A 1 47 ? 7.671 -1.941 -21.600 1.00 42.35 ? 54 ASN A O 1 ATOM 362 C CB . ASN A 1 47 ? 9.772 -3.080 -20.414 1.00 43.44 ? 54 ASN A CB 1 ATOM 363 C CG . ASN A 1 47 ? 10.790 -3.653 -19.484 1.00 46.13 ? 54 ASN A CG 1 ATOM 364 O OD1 . ASN A 1 47 ? 11.869 -4.079 -19.912 1.00 49.43 ? 54 ASN A OD1 1 ATOM 365 N ND2 . ASN A 1 47 ? 10.453 -3.691 -18.189 1.00 49.23 ? 54 ASN A ND2 1 ATOM 366 N N . GLY A 1 48 ? 6.332 -3.750 -21.503 1.00 40.23 ? 55 GLY A N 1 ATOM 367 C CA . GLY A 1 48 ? 5.311 -3.158 -22.337 1.00 38.63 ? 55 GLY A CA 1 ATOM 368 C C . GLY A 1 48 ? 5.553 -3.255 -23.835 1.00 37.15 ? 55 GLY A C 1 ATOM 369 O O . GLY A 1 48 ? 4.682 -2.846 -24.612 1.00 37.08 ? 55 GLY A O 1 ATOM 370 N N . ILE A 1 49 ? 6.707 -3.802 -24.240 1.00 35.30 ? 56 ILE A N 1 ATOM 371 C CA . ILE A 1 49 ? 7.040 -3.961 -25.663 1.00 33.48 ? 56 ILE A CA 1 ATOM 372 C C . ILE A 1 49 ? 6.839 -5.421 -26.076 1.00 32.91 ? 56 ILE A C 1 ATOM 373 O O . ILE A 1 49 ? 7.498 -6.303 -25.525 1.00 33.24 ? 56 ILE A O 1 ATOM 374 C CB . ILE A 1 49 ? 8.489 -3.463 -25.968 1.00 33.27 ? 56 ILE A CB 1 ATOM 375 C CG1 . ILE A 1 49 ? 8.634 -1.979 -25.594 1.00 33.60 ? 56 ILE A CG1 1 ATOM 376 C CG2 . ILE A 1 49 ? 8.853 -3.659 -27.449 1.00 31.51 ? 56 ILE A CG2 1 ATOM 377 C CD1 . ILE A 1 49 ? 10.083 -1.519 -25.507 1.00 33.82 ? 56 ILE A CD1 1 ATOM 378 N N . PRO A 1 50 ? 5.905 -5.690 -27.021 1.00 32.02 ? 57 PRO A N 1 ATOM 379 C CA . PRO A 1 50 ? 5.664 -7.079 -27.415 1.00 31.06 ? 57 PRO A CA 1 ATOM 380 C C . PRO A 1 50 ? 6.813 -7.682 -28.200 1.00 30.41 ? 57 PRO A C 1 ATOM 381 O O . PRO A 1 50 ? 7.506 -6.969 -28.914 1.00 30.22 ? 57 PRO A O 1 ATOM 382 C CB . PRO A 1 50 ? 4.425 -6.993 -28.326 1.00 30.58 ? 57 PRO A CB 1 ATOM 383 C CG . PRO A 1 50 ? 3.875 -5.588 -28.112 1.00 31.52 ? 57 PRO A CG 1 ATOM 384 C CD . PRO A 1 50 ? 5.015 -4.749 -27.740 1.00 31.27 ? 57 PRO A CD 1 ATOM 385 N N . PRO A 1 51 ? 6.972 -9.005 -28.111 1.00 30.04 ? 58 PRO A N 1 ATOM 386 C CA . PRO A 1 51 ? 7.952 -9.651 -28.983 1.00 30.30 ? 58 PRO A CA 1 ATOM 387 C C . PRO A 1 51 ? 7.444 -9.658 -30.433 1.00 30.34 ? 58 PRO A C 1 ATOM 388 O O . PRO A 1 51 ? 6.276 -9.360 -30.684 1.00 30.33 ? 58 PRO A O 1 ATOM 389 C CB . PRO A 1 51 ? 8.015 -11.084 -28.446 1.00 29.87 ? 58 PRO A CB 1 ATOM 390 C CG . PRO A 1 51 ? 6.675 -11.312 -27.773 1.00 29.17 ? 58 PRO A CG 1 ATOM 391 C CD . PRO A 1 51 ? 6.234 -9.964 -27.259 1.00 29.41 ? 58 PRO A CD 1 ATOM 392 N N . LEU A 1 52 ? 8.345 -9.931 -31.363 1.00 30.84 ? 59 LEU A N 1 ATOM 393 C CA . LEU A 1 52 ? 7.973 -10.247 -32.722 1.00 31.16 ? 59 LEU A CA 1 ATOM 394 C C . LEU A 1 52 ? 7.689 -11.756 -32.801 1.00 31.78 ? 59 LEU A C 1 ATOM 395 O O . LEU A 1 52 ? 8.570 -12.582 -32.608 1.00 30.70 ? 59 LEU A O 1 ATOM 396 C CB . LEU A 1 52 ? 9.097 -9.841 -33.677 1.00 31.00 ? 59 LEU A CB 1 ATOM 397 C CG . LEU A 1 52 ? 9.029 -10.360 -35.123 1.00 30.21 ? 59 LEU A CG 1 ATOM 398 C CD1 . LEU A 1 52 ? 7.769 -9.881 -35.860 1.00 28.55 ? 59 LEU A CD1 1 ATOM 399 C CD2 . LEU A 1 52 ? 10.280 -9.906 -35.812 1.00 28.96 ? 59 LEU A CD2 1 ATOM 400 N N . GLU A 1 53 ? 6.434 -12.099 -33.049 1.00 32.63 ? 60 GLU A N 1 ATOM 401 C CA . GLU A 1 53 ? 6.036 -13.487 -33.155 1.00 33.48 ? 60 GLU A CA 1 ATOM 402 C C . GLU A 1 53 ? 6.099 -13.936 -34.621 1.00 32.56 ? 60 GLU A C 1 ATOM 403 O O . GLU A 1 53 ? 5.238 -13.584 -35.435 1.00 32.29 ? 60 GLU A O 1 ATOM 404 C CB . GLU A 1 53 ? 4.631 -13.678 -32.540 1.00 33.76 ? 60 GLU A CB 1 ATOM 405 C CG . GLU A 1 53 ? 4.159 -15.134 -32.555 1.00 36.75 ? 60 GLU A CG 1 ATOM 406 C CD . GLU A 1 53 ? 2.993 -15.429 -31.606 1.00 36.71 ? 60 GLU A CD 1 ATOM 407 O OE1 . GLU A 1 53 ? 2.677 -14.587 -30.729 1.00 35.52 ? 60 GLU A OE1 1 ATOM 408 O OE2 . GLU A 1 53 ? 2.410 -16.540 -31.755 1.00 40.81 ? 60 GLU A OE2 1 ATOM 409 N N . LEU A 1 54 ? 7.131 -14.710 -34.966 1.00 31.50 ? 61 LEU A N 1 ATOM 410 C CA . LEU A 1 54 ? 7.270 -15.200 -36.353 1.00 30.49 ? 61 LEU A CA 1 ATOM 411 C C . LEU A 1 54 ? 6.212 -16.202 -36.816 1.00 30.38 ? 61 LEU A C 1 ATOM 412 O O . LEU A 1 54 ? 6.036 -16.419 -38.023 1.00 30.23 ? 61 LEU A O 1 ATOM 413 C CB . LEU A 1 54 ? 8.678 -15.749 -36.605 1.00 29.40 ? 61 LEU A CB 1 ATOM 414 C CG . LEU A 1 54 ? 9.819 -14.753 -36.479 1.00 28.09 ? 61 LEU A CG 1 ATOM 415 C CD1 . LEU A 1 54 ? 11.142 -15.478 -36.708 1.00 25.44 ? 61 LEU A CD1 1 ATOM 416 C CD2 . LEU A 1 54 ? 9.614 -13.558 -37.466 1.00 24.39 ? 61 LEU A CD2 1 ATOM 417 N N . GLY A 1 55 ? 5.501 -16.819 -35.881 1.00 31.10 ? 62 GLY A N 1 ATOM 418 C CA . GLY A 1 55 ? 4.477 -17.808 -36.254 1.00 31.49 ? 62 GLY A CA 1 ATOM 419 C C . GLY A 1 55 ? 5.158 -19.027 -36.865 1.00 32.15 ? 62 GLY A C 1 ATOM 420 O O . GLY A 1 55 ? 6.103 -19.569 -36.284 1.00 32.28 ? 62 GLY A O 1 ATOM 421 N N . ASP A 1 56 ? 4.720 -19.424 -38.056 1.00 32.66 ? 63 ASP A N 1 ATOM 422 C CA . ASP A 1 56 ? 5.369 -20.514 -38.804 1.00 33.96 ? 63 ASP A CA 1 ATOM 423 C C . ASP A 1 56 ? 6.553 -20.079 -39.680 1.00 33.77 ? 63 ASP A C 1 ATOM 424 O O . ASP A 1 56 ? 7.122 -20.905 -40.390 1.00 33.72 ? 63 ASP A O 1 ATOM 425 C CB . ASP A 1 56 ? 4.352 -21.264 -39.677 1.00 34.06 ? 63 ASP A CB 1 ATOM 426 C CG . ASP A 1 56 ? 3.367 -22.076 -38.861 1.00 37.29 ? 63 ASP A CG 1 ATOM 427 O OD1 . ASP A 1 56 ? 3.784 -22.783 -37.914 1.00 38.63 ? 63 ASP A OD1 1 ATOM 428 O OD2 . ASP A 1 56 ? 2.161 -22.006 -39.185 1.00 40.70 ? 63 ASP A OD2 1 ATOM 429 N N . CYS A 1 57 ? 6.923 -18.801 -39.624 1.00 34.06 ? 64 CYS A N 1 ATOM 430 C CA . CYS A 1 57 ? 8.007 -18.261 -40.455 1.00 34.53 ? 64 CYS A CA 1 ATOM 431 C C . CYS A 1 57 ? 9.382 -18.367 -39.812 1.00 33.62 ? 64 CYS A C 1 ATOM 432 O O . CYS A 1 57 ? 9.518 -18.367 -38.583 1.00 33.86 ? 64 CYS A O 1 ATOM 433 C CB . CYS A 1 57 ? 7.698 -16.804 -40.871 1.00 35.55 ? 64 CYS A CB 1 ATOM 434 S SG . CYS A 1 57 ? 6.164 -16.743 -41.893 1.00 42.13 ? 64 CYS A SG 1 ATOM 435 N N . SER A 1 58 ? 10.403 -18.486 -40.651 1.00 31.89 ? 65 SER A N 1 ATOM 436 C CA . SER A 1 58 ? 11.769 -18.384 -40.196 1.00 31.51 ? 65 SER A CA 1 ATOM 437 C C . SER A 1 58 ? 12.219 -16.932 -40.383 1.00 30.76 ? 65 SER A C 1 ATOM 438 O O . SER A 1 58 ? 11.512 -16.137 -41.008 1.00 30.41 ? 65 SER A O 1 ATOM 439 C CB . SER A 1 58 ? 12.668 -19.358 -40.966 1.00 30.91 ? 65 SER A CB 1 ATOM 440 O OG . SER A 1 58 ? 12.768 -18.982 -42.320 1.00 31.83 ? 65 SER A OG 1 ATOM 441 N N . ILE A 1 59 ? 13.367 -16.594 -39.805 1.00 30.43 ? 66 ILE A N 1 ATOM 442 C CA . ILE A 1 59 ? 14.013 -15.301 -39.996 1.00 29.57 ? 66 ILE A CA 1 ATOM 443 C C . ILE A 1 59 ? 14.194 -15.042 -41.495 1.00 29.33 ? 66 ILE A C 1 ATOM 444 O O . ILE A 1 59 ? 13.853 -13.958 -41.996 1.00 28.88 ? 66 ILE A O 1 ATOM 445 C CB . ILE A 1 59 ? 15.376 -15.220 -39.219 1.00 29.89 ? 66 ILE A CB 1 ATOM 446 C CG1 . ILE A 1 59 ? 15.170 -15.211 -37.687 1.00 29.75 ? 66 ILE A CG1 1 ATOM 447 C CG2 . ILE A 1 59 ? 16.242 -14.027 -39.680 1.00 29.64 ? 66 ILE A CG2 1 ATOM 448 C CD1 . ILE A 1 59 ? 14.488 -13.951 -37.136 1.00 32.64 ? 66 ILE A CD1 1 ATOM 449 N N . ALA A 1 60 ? 14.708 -16.037 -42.212 1.00 28.65 ? 67 ALA A N 1 ATOM 450 C CA . ALA A 1 60 ? 14.868 -15.951 -43.676 1.00 28.33 ? 67 ALA A CA 1 ATOM 451 C C . ALA A 1 60 ? 13.531 -15.715 -44.422 1.00 28.02 ? 67 ALA A C 1 ATOM 452 O O . ALA A 1 60 ? 13.468 -14.888 -45.326 1.00 29.10 ? 67 ALA A O 1 ATOM 453 C CB . ALA A 1 60 ? 15.605 -17.219 -44.235 1.00 28.50 ? 67 ALA A CB 1 ATOM 454 N N . GLY A 1 61 ? 12.486 -16.438 -44.050 1.00 27.67 ? 68 GLY A N 1 ATOM 455 C CA . GLY A 1 61 ? 11.151 -16.272 -44.629 1.00 27.61 ? 68 GLY A CA 1 ATOM 456 C C . GLY A 1 61 ? 10.604 -14.873 -44.464 1.00 27.06 ? 68 GLY A C 1 ATOM 457 O O . GLY A 1 61 ? 10.047 -14.300 -45.397 1.00 27.57 ? 68 GLY A O 1 ATOM 458 N N . TRP A 1 62 ? 10.768 -14.328 -43.265 1.00 27.46 ? 69 TRP A N 1 ATOM 459 C CA . TRP A 1 62 ? 10.477 -12.938 -42.956 1.00 27.10 ? 69 TRP A CA 1 ATOM 460 C C . TRP A 1 62 ? 11.255 -11.930 -43.840 1.00 27.44 ? 69 TRP A C 1 ATOM 461 O O . TRP A 1 62 ? 10.650 -11.063 -44.485 1.00 26.65 ? 69 TRP A O 1 ATOM 462 C CB . TRP A 1 62 ? 10.750 -12.697 -41.464 1.00 27.56 ? 69 TRP A CB 1 ATOM 463 C CG . TRP A 1 62 ? 10.765 -11.262 -40.984 1.00 29.42 ? 69 TRP A CG 1 ATOM 464 C CD1 . TRP A 1 62 ? 9.951 -10.221 -41.412 1.00 30.66 ? 69 TRP A CD1 1 ATOM 465 C CD2 . TRP A 1 62 ? 11.601 -10.704 -39.933 1.00 30.02 ? 69 TRP A CD2 1 ATOM 466 N NE1 . TRP A 1 62 ? 10.265 -9.061 -40.712 1.00 29.72 ? 69 TRP A NE1 1 ATOM 467 C CE2 . TRP A 1 62 ? 11.264 -9.330 -39.807 1.00 29.26 ? 69 TRP A CE2 1 ATOM 468 C CE3 . TRP A 1 62 ? 12.609 -11.234 -39.101 1.00 30.66 ? 69 TRP A CE3 1 ATOM 469 C CZ2 . TRP A 1 62 ? 11.904 -8.474 -38.884 1.00 29.98 ? 69 TRP A CZ2 1 ATOM 470 C CZ3 . TRP A 1 62 ? 13.252 -10.385 -38.187 1.00 28.44 ? 69 TRP A CZ3 1 ATOM 471 C CH2 . TRP A 1 62 ? 12.892 -9.019 -38.089 1.00 30.62 ? 69 TRP A CH2 1 ATOM 472 N N . LEU A 1 63 ? 12.584 -12.026 -43.853 1.00 26.19 ? 70 LEU A N 1 ATOM 473 C CA . LEU A 1 63 ? 13.387 -10.981 -44.488 1.00 26.49 ? 70 LEU A CA 1 ATOM 474 C C . LEU A 1 63 ? 13.315 -11.042 -46.023 1.00 26.32 ? 70 LEU A C 1 ATOM 475 O O . LEU A 1 63 ? 13.254 -10.004 -46.683 1.00 25.51 ? 70 LEU A O 1 ATOM 476 C CB . LEU A 1 63 ? 14.826 -10.958 -43.944 1.00 26.20 ? 70 LEU A CB 1 ATOM 477 C CG . LEU A 1 63 ? 14.893 -10.744 -42.420 1.00 27.16 ? 70 LEU A CG 1 ATOM 478 C CD1 . LEU A 1 63 ? 16.320 -10.940 -41.878 1.00 25.80 ? 70 LEU A CD1 1 ATOM 479 C CD2 . LEU A 1 63 ? 14.314 -9.371 -41.998 1.00 27.61 ? 70 LEU A CD2 1 ATOM 480 N N . LEU A 1 64 ? 13.209 -12.254 -46.563 1.00 25.89 ? 71 LEU A N 1 ATOM 481 C CA . LEU A 1 64 ? 13.008 -12.427 -48.000 1.00 26.60 ? 71 LEU A CA 1 ATOM 482 C C . LEU A 1 64 ? 11.598 -12.047 -48.442 1.00 26.61 ? 71 LEU A C 1 ATOM 483 O O . LEU A 1 64 ? 11.397 -11.659 -49.590 1.00 26.49 ? 71 LEU A O 1 ATOM 484 C CB . LEU A 1 64 ? 13.342 -13.854 -48.437 1.00 26.48 ? 71 LEU A CB 1 ATOM 485 C CG . LEU A 1 64 ? 14.806 -14.319 -48.299 1.00 27.88 ? 71 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 64 ? 14.853 -15.832 -48.533 1.00 25.50 ? 71 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 64 ? 15.704 -13.591 -49.297 1.00 26.70 ? 71 LEU A CD2 1 ATOM 488 N N . GLY A 1 65 ? 10.628 -12.184 -47.542 1.00 26.94 ? 72 GLY A N 1 ATOM 489 C CA . GLY A 1 65 ? 9.224 -11.938 -47.884 1.00 28.04 ? 72 GLY A CA 1 ATOM 490 C C . GLY A 1 65 ? 8.543 -13.142 -48.513 1.00 28.53 ? 72 GLY A C 1 ATOM 491 O O . GLY A 1 65 ? 7.899 -13.021 -49.563 1.00 27.93 ? 72 GLY A O 1 ATOM 492 N N . ASN A 1 66 ? 8.717 -14.309 -47.882 1.00 28.96 ? 73 ASN A N 1 ATOM 493 C CA . ASN A 1 66 ? 8.007 -15.524 -48.260 1.00 29.03 ? 73 ASN A CA 1 ATOM 494 C C . ASN A 1 66 ? 6.535 -15.140 -48.206 1.00 29.43 ? 73 ASN A C 1 ATOM 495 O O . ASN A 1 66 ? 6.115 -14.574 -47.203 1.00 29.31 ? 73 ASN A O 1 ATOM 496 C CB . ASN A 1 66 ? 8.344 -16.653 -47.257 1.00 29.09 ? 73 ASN A CB 1 ATOM 497 C CG . ASN A 1 66 ? 7.614 -17.979 -47.555 1.00 29.72 ? 73 ASN A CG 1 ATOM 498 O OD1 . ASN A 1 66 ? 6.465 -17.991 -47.981 1.00 32.29 ? 73 ASN A OD1 1 ATOM 499 N ND2 . ASN A 1 66 ? 8.278 -19.094 -47.285 1.00 28.20 ? 73 ASN A ND2 1 ATOM 500 N N . PRO A 1 67 ? 5.766 -15.376 -49.293 1.00 29.98 ? 74 PRO A N 1 ATOM 501 C CA . PRO A 1 67 ? 4.364 -14.932 -49.326 1.00 30.89 ? 74 PRO A CA 1 ATOM 502 C C . PRO A 1 67 ? 3.473 -15.490 -48.214 1.00 32.20 ? 74 PRO A C 1 ATOM 503 O O . PRO A 1 67 ? 2.407 -14.933 -47.960 1.00 31.91 ? 74 PRO A O 1 ATOM 504 C CB . PRO A 1 67 ? 3.860 -15.398 -50.702 1.00 30.13 ? 74 PRO A CB 1 ATOM 505 C CG . PRO A 1 67 ? 5.056 -15.534 -51.529 1.00 30.04 ? 74 PRO A CG 1 ATOM 506 C CD . PRO A 1 67 ? 6.150 -16.013 -50.569 1.00 30.05 ? 74 PRO A CD 1 ATOM 507 N N . GLU A 1 68 ? 3.899 -16.579 -47.570 1.00 33.50 ? 75 GLU A N 1 ATOM 508 C CA . GLU A 1 68 ? 3.163 -17.152 -46.429 1.00 34.53 ? 75 GLU A CA 1 ATOM 509 C C . GLU A 1 68 ? 3.372 -16.314 -45.171 1.00 35.29 ? 75 GLU A C 1 ATOM 510 O O . GLU A 1 68 ? 2.709 -16.543 -44.166 1.00 35.23 ? 75 GLU A O 1 ATOM 511 C CB . GLU A 1 68 ? 3.631 -18.587 -46.141 1.00 34.76 ? 75 GLU A CB 1 ATOM 512 C CG . GLU A 1 68 ? 3.325 -19.600 -47.232 1.00 36.63 ? 75 GLU A CG 1 ATOM 513 C CD . GLU A 1 68 ? 1.847 -19.648 -47.621 1.00 41.68 ? 75 GLU A CD 1 ATOM 514 O OE1 . GLU A 1 68 ? 0.963 -19.633 -46.722 1.00 40.47 ? 75 GLU A OE1 1 ATOM 515 O OE2 . GLU A 1 68 ? 1.575 -19.710 -48.848 1.00 44.78 ? 75 GLU A OE2 1 ATOM 516 N N . CYS A 1 69 ? 4.308 -15.360 -45.249 1.00 35.46 ? 76 CYS A N 1 ATOM 517 C CA . CYS A 1 69 ? 4.738 -14.527 -44.133 1.00 36.08 ? 76 CYS A CA 1 ATOM 518 C C . CYS A 1 69 ? 4.292 -13.053 -44.263 1.00 35.39 ? 76 CYS A C 1 ATOM 519 O O . CYS A 1 69 ? 4.858 -12.172 -43.586 1.00 35.14 ? 76 CYS A O 1 ATOM 520 C CB . CYS A 1 69 ? 6.279 -14.607 -44.016 1.00 35.99 ? 76 CYS A CB 1 ATOM 521 S SG . CYS A 1 69 ? 6.883 -16.332 -43.808 1.00 41.79 ? 76 CYS A SG 1 ATOM 522 N N . ASP A 1 70 ? 3.300 -12.791 -45.122 1.00 34.56 ? 77 ASP A N 1 ATOM 523 C CA . ASP A 1 70 ? 2.834 -11.412 -45.417 1.00 34.98 ? 77 ASP A CA 1 ATOM 524 C C . ASP A 1 70 ? 2.414 -10.509 -44.237 1.00 34.71 ? 77 ASP A C 1 ATOM 525 O O . ASP A 1 70 ? 2.569 -9.292 -44.315 1.00 34.37 ? 77 ASP A O 1 ATOM 526 C CB . ASP A 1 70 ? 1.744 -11.413 -46.491 1.00 35.49 ? 77 ASP A CB 1 ATOM 527 C CG . ASP A 1 70 ? 2.320 -11.566 -47.889 1.00 36.69 ? 77 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 70 ? 3.555 -11.537 -48.041 1.00 38.89 ? 77 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 70 ? 1.540 -11.712 -48.841 1.00 41.69 ? 77 ASP A OD2 1 ATOM 530 N N . ARG A 1 71 ? 1.889 -11.096 -43.163 1.00 34.34 ? 78 ARG A N 1 ATOM 531 C CA . ARG A 1 71 ? 1.638 -10.356 -41.936 1.00 34.83 ? 78 ARG A CA 1 ATOM 532 C C . ARG A 1 71 ? 2.910 -9.653 -41.414 1.00 33.74 ? 78 ARG A C 1 ATOM 533 O O . ARG A 1 71 ? 2.821 -8.739 -40.598 1.00 33.95 ? 78 ARG A O 1 ATOM 534 C CB . ARG A 1 71 ? 1.064 -11.281 -40.851 1.00 34.90 ? 78 ARG A CB 1 ATOM 535 C CG . ARG A 1 71 ? 2.085 -12.203 -40.218 1.00 37.34 ? 78 ARG A CG 1 ATOM 536 C CD . ARG A 1 71 ? 1.507 -13.125 -39.127 1.00 38.43 ? 78 ARG A CD 1 ATOM 537 N NE . ARG A 1 71 ? 2.388 -14.282 -38.928 1.00 47.27 ? 78 ARG A NE 1 ATOM 538 C CZ . ARG A 1 71 ? 2.655 -15.201 -39.868 1.00 49.14 ? 78 ARG A CZ 1 ATOM 539 N NH1 . ARG A 1 71 ? 2.116 -15.108 -41.087 1.00 51.17 ? 78 ARG A NH1 1 ATOM 540 N NH2 . ARG A 1 71 ? 3.458 -16.225 -39.603 1.00 49.36 ? 78 ARG A NH2 1 ATOM 541 N N . LEU A 1 72 ? 4.084 -10.085 -41.872 1.00 31.87 ? 79 LEU A N 1 ATOM 542 C CA . LEU A 1 72 ? 5.348 -9.543 -41.365 1.00 30.84 ? 79 LEU A CA 1 ATOM 543 C C . LEU A 1 72 ? 5.983 -8.518 -42.318 1.00 30.15 ? 79 LEU A C 1 ATOM 544 O O . LEU A 1 72 ? 7.147 -8.127 -42.138 1.00 30.12 ? 79 LEU A O 1 ATOM 545 C CB . LEU A 1 72 ? 6.348 -10.688 -41.052 1.00 30.52 ? 79 LEU A CB 1 ATOM 546 C CG . LEU A 1 72 ? 5.926 -11.874 -40.157 1.00 31.26 ? 79 LEU A CG 1 ATOM 547 C CD1 . LEU A 1 72 ? 7.001 -13.007 -40.152 1.00 29.52 ? 79 LEU A CD1 1 ATOM 548 C CD2 . LEU A 1 72 ? 5.601 -11.444 -38.712 1.00 31.70 ? 79 LEU A CD2 1 ATOM 549 N N . LEU A 1 73 ? 5.229 -8.089 -43.329 1.00 29.29 ? 80 LEU A N 1 ATOM 550 C CA . LEU A 1 73 ? 5.753 -7.149 -44.318 1.00 29.29 ? 80 LEU A CA 1 ATOM 551 C C . LEU A 1 73 ? 6.126 -5.789 -43.713 1.00 29.39 ? 80 LEU A C 1 ATOM 552 O O . LEU A 1 73 ? 7.075 -5.158 -44.163 1.00 28.50 ? 80 LEU A O 1 ATOM 553 C CB . LEU A 1 73 ? 4.817 -6.992 -45.527 1.00 28.87 ? 80 LEU A CB 1 ATOM 554 C CG . LEU A 1 73 ? 4.870 -8.160 -46.518 1.00 27.13 ? 80 LEU A CG 1 ATOM 555 C CD1 . LEU A 1 73 ? 3.653 -8.114 -47.444 1.00 25.17 ? 80 LEU A CD1 1 ATOM 556 C CD2 . LEU A 1 73 ? 6.178 -8.141 -47.331 1.00 27.82 ? 80 LEU A CD2 1 ATOM 557 N N . SER A 1 74 ? 5.367 -5.349 -42.717 1.00 29.68 ? 81 SER A N 1 ATOM 558 C CA . SER A 1 74 ? 5.728 -4.175 -41.950 1.00 30.61 ? 81 SER A CA 1 ATOM 559 C C . SER A 1 74 ? 5.543 -4.501 -40.467 1.00 30.17 ? 81 SER A C 1 ATOM 560 O O . SER A 1 74 ? 4.424 -4.776 -40.042 1.00 30.58 ? 81 SER A O 1 ATOM 561 C CB . SER A 1 74 ? 4.836 -2.990 -42.332 1.00 31.43 ? 81 SER A CB 1 ATOM 562 O OG . SER A 1 74 ? 5.284 -1.844 -41.630 1.00 33.13 ? 81 SER A OG 1 ATOM 563 N N . VAL A 1 75 A 6.617 -4.505 -39.685 1.00 29.38 ? 81 VAL A N 1 ATOM 564 C CA . VAL A 1 75 A 6.474 -4.843 -38.249 1.00 29.79 ? 81 VAL A CA 1 ATOM 565 C C . VAL A 1 75 A 6.951 -3.723 -37.315 1.00 29.34 ? 81 VAL A C 1 ATOM 566 O O . VAL A 1 75 A 7.907 -3.032 -37.632 1.00 29.40 ? 81 VAL A O 1 ATOM 567 C CB . VAL A 1 75 A 7.159 -6.203 -37.865 1.00 30.04 ? 81 VAL A CB 1 ATOM 568 C CG1 . VAL A 1 75 A 6.497 -7.377 -38.597 1.00 31.00 ? 81 VAL A CG1 1 ATOM 569 C CG2 . VAL A 1 75 A 8.663 -6.176 -38.136 1.00 28.45 ? 81 VAL A CG2 1 ATOM 570 N N . PRO A 1 76 ? 6.255 -3.518 -36.182 1.00 29.52 ? 82 PRO A N 1 ATOM 571 C CA . PRO A 1 76 ? 6.718 -2.507 -35.219 1.00 29.38 ? 82 PRO A CA 1 ATOM 572 C C . PRO A 1 76 ? 7.922 -2.983 -34.387 1.00 30.01 ? 82 PRO A C 1 ATOM 573 O O . PRO A 1 76 ? 8.339 -4.142 -34.479 1.00 29.83 ? 82 PRO A O 1 ATOM 574 C CB . PRO A 1 76 ? 5.485 -2.287 -34.331 1.00 30.14 ? 82 PRO A CB 1 ATOM 575 C CG . PRO A 1 76 ? 4.743 -3.630 -34.386 1.00 29.26 ? 82 PRO A CG 1 ATOM 576 C CD . PRO A 1 76 ? 4.983 -4.158 -35.771 1.00 29.09 ? 82 PRO A CD 1 ATOM 577 N N . GLU A 1 77 ? 8.468 -2.085 -33.584 1.00 29.15 ? 83 GLU A N 1 ATOM 578 C CA . GLU A 1 77 ? 9.568 -2.382 -32.692 1.00 29.82 ? 83 GLU A CA 1 ATOM 579 C C . GLU A 1 77 ? 9.231 -3.585 -31.784 1.00 28.69 ? 83 GLU A C 1 ATOM 580 O O . GLU A 1 77 ? 8.099 -3.745 -31.335 1.00 28.88 ? 83 GLU A O 1 ATOM 581 C CB . GLU A 1 77 ? 9.869 -1.116 -31.883 1.00 29.90 ? 83 GLU A CB 1 ATOM 582 C CG . GLU A 1 77 ? 10.942 -1.240 -30.855 1.00 35.80 ? 83 GLU A CG 1 ATOM 583 C CD . GLU A 1 77 ? 10.933 -0.066 -29.868 1.00 40.40 ? 83 GLU A CD 1 ATOM 584 O OE1 . GLU A 1 77 ? 10.400 1.013 -30.194 1.00 43.91 ? 83 GLU A OE1 1 ATOM 585 O OE2 . GLU A 1 77 ? 11.482 -0.228 -28.766 1.00 43.10 ? 83 GLU A OE2 1 ATOM 586 N N . TRP A 1 78 ? 10.211 -4.431 -31.541 1.00 27.97 ? 84 TRP A N 1 ATOM 587 C CA . TRP A 1 78 ? 10.023 -5.619 -30.696 1.00 28.27 ? 84 TRP A CA 1 ATOM 588 C C . TRP A 1 78 ? 11.009 -5.633 -29.511 1.00 28.67 ? 84 TRP A C 1 ATOM 589 O O . TRP A 1 78 ? 12.052 -4.946 -29.536 1.00 28.10 ? 84 TRP A O 1 ATOM 590 C CB . TRP A 1 78 ? 10.168 -6.913 -31.551 1.00 27.52 ? 84 TRP A CB 1 ATOM 591 C CG . TRP A 1 78 ? 11.518 -7.054 -32.239 1.00 26.97 ? 84 TRP A CG 1 ATOM 592 C CD1 . TRP A 1 78 ? 12.646 -7.593 -31.696 1.00 27.48 ? 84 TRP A CD1 1 ATOM 593 C CD2 . TRP A 1 78 ? 11.877 -6.673 -33.583 1.00 25.46 ? 84 TRP A CD2 1 ATOM 594 N NE1 . TRP A 1 78 ? 13.676 -7.537 -32.576 1.00 27.00 ? 84 TRP A NE1 1 ATOM 595 C CE2 . TRP A 1 78 ? 13.239 -6.989 -33.749 1.00 26.13 ? 84 TRP A CE2 1 ATOM 596 C CE3 . TRP A 1 78 ? 11.186 -6.082 -34.651 1.00 24.93 ? 84 TRP A CE3 1 ATOM 597 C CZ2 . TRP A 1 78 ? 13.932 -6.732 -34.936 1.00 27.23 ? 84 TRP A CZ2 1 ATOM 598 C CZ3 . TRP A 1 78 ? 11.867 -5.834 -35.832 1.00 25.32 ? 84 TRP A CZ3 1 ATOM 599 C CH2 . TRP A 1 78 ? 13.229 -6.139 -35.963 1.00 26.43 ? 84 TRP A CH2 1 ATOM 600 N N . SER A 1 79 ? 10.694 -6.450 -28.504 1.00 29.61 ? 85 SER A N 1 ATOM 601 C CA . SER A 1 79 ? 11.570 -6.696 -27.361 1.00 30.16 ? 85 SER A CA 1 ATOM 602 C C . SER A 1 79 ? 12.390 -7.992 -27.487 1.00 31.18 ? 85 SER A C 1 ATOM 603 O O . SER A 1 79 ? 13.496 -8.100 -26.941 1.00 31.28 ? 85 SER A O 1 ATOM 604 C CB . SER A 1 79 ? 10.743 -6.736 -26.090 1.00 31.20 ? 85 SER A CB 1 ATOM 605 O OG . SER A 1 79 ? 9.660 -7.647 -26.210 1.00 32.39 ? 85 SER A OG 1 ATOM 606 N N . TYR A 1 80 ? 11.832 -8.974 -28.191 1.00 30.87 ? 86 TYR A N 1 ATOM 607 C CA . TYR A 1 80 ? 12.534 -10.193 -28.538 1.00 30.54 ? 86 TYR A CA 1 ATOM 608 C C . TYR A 1 80 ? 11.810 -10.850 -29.717 1.00 30.62 ? 86 TYR A C 1 ATOM 609 O O . TYR A 1 80 ? 10.714 -10.428 -30.097 1.00 31.26 ? 86 TYR A O 1 ATOM 610 C CB . TYR A 1 80 ? 12.692 -11.132 -27.317 1.00 30.83 ? 86 TYR A CB 1 ATOM 611 C CG . TYR A 1 80 ? 11.422 -11.619 -26.665 1.00 28.81 ? 86 TYR A CG 1 ATOM 612 C CD1 . TYR A 1 80 ? 10.957 -12.908 -26.896 1.00 29.49 ? 86 TYR A CD1 1 ATOM 613 C CD2 . TYR A 1 80 ? 10.679 -10.788 -25.813 1.00 29.65 ? 86 TYR A CD2 1 ATOM 614 C CE1 . TYR A 1 80 ? 9.760 -13.359 -26.302 1.00 30.03 ? 86 TYR A CE1 1 ATOM 615 C CE2 . TYR A 1 80 ? 9.488 -11.230 -25.200 1.00 28.53 ? 86 TYR A CE2 1 ATOM 616 C CZ . TYR A 1 80 ? 9.039 -12.508 -25.456 1.00 29.18 ? 86 TYR A CZ 1 ATOM 617 O OH . TYR A 1 80 ? 7.884 -12.950 -24.859 1.00 30.65 ? 86 TYR A OH 1 ATOM 618 N N . ILE A 1 81 ? 12.430 -11.848 -30.321 1.00 30.54 ? 87 ILE A N 1 ATOM 619 C CA . ILE A 1 81 ? 11.838 -12.524 -31.471 1.00 30.65 ? 87 ILE A CA 1 ATOM 620 C C . ILE A 1 81 ? 11.511 -13.964 -31.071 1.00 31.31 ? 87 ILE A C 1 ATOM 621 O O . ILE A 1 81 ? 12.344 -14.654 -30.494 1.00 31.73 ? 87 ILE A O 1 ATOM 622 C CB . ILE A 1 81 ? 12.782 -12.482 -32.689 1.00 30.68 ? 87 ILE A CB 1 ATOM 623 C CG1 . ILE A 1 81 ? 13.064 -11.026 -33.095 1.00 30.17 ? 87 ILE A CG1 1 ATOM 624 C CG2 . ILE A 1 81 ? 12.191 -13.248 -33.879 1.00 29.37 ? 87 ILE A CG2 1 ATOM 625 C CD1 . ILE A 1 81 ? 14.223 -10.847 -34.098 1.00 30.62 ? 87 ILE A CD1 1 ATOM 626 N N . MET A 1 82 ? 10.282 -14.397 -31.313 1.00 31.28 ? 88 MET A N 1 ATOM 627 C CA . MET A 1 82 ? 9.915 -15.799 -31.083 1.00 31.67 ? 88 MET A CA 1 ATOM 628 C C . MET A 1 82 ? 9.981 -16.563 -32.389 1.00 31.41 ? 88 MET A C 1 ATOM 629 O O . MET A 1 82 ? 9.338 -16.192 -33.367 1.00 30.87 ? 88 MET A O 1 ATOM 630 C CB . MET A 1 82 ? 8.515 -15.912 -30.487 1.00 31.43 ? 88 MET A CB 1 ATOM 631 C CG . MET A 1 82 ? 8.349 -15.234 -29.125 1.00 31.67 ? 88 MET A CG 1 ATOM 632 S SD . MET A 1 82 ? 6.643 -14.740 -28.844 1.00 33.93 ? 88 MET A SD 1 ATOM 633 C CE . MET A 1 82 ? 5.731 -16.239 -29.239 1.00 33.99 ? 88 MET A CE 1 ATOM 634 N N . GLU A 1 83 ? 10.765 -17.627 -32.405 1.00 31.55 ? 89 GLU A N 1 ATOM 635 C CA . GLU A 1 83 ? 10.842 -18.474 -33.581 1.00 32.20 ? 89 GLU A CA 1 ATOM 636 C C . GLU A 1 83 ? 10.641 -19.929 -33.180 1.00 31.50 ? 89 GLU A C 1 ATOM 637 O O . GLU A 1 83 ? 11.112 -20.350 -32.130 1.00 32.44 ? 89 GLU A O 1 ATOM 638 C CB . GLU A 1 83 ? 12.187 -18.302 -34.300 1.00 31.78 ? 89 GLU A CB 1 ATOM 639 C CG . GLU A 1 83 ? 12.312 -19.051 -35.678 1.00 32.72 ? 89 GLU A CG 1 ATOM 640 C CD . GLU A 1 83 ? 13.735 -18.966 -36.279 1.00 33.85 ? 89 GLU A CD 1 ATOM 641 O OE1 . GLU A 1 83 ? 14.735 -19.134 -35.532 1.00 38.14 ? 89 GLU A OE1 1 ATOM 642 O OE2 . GLU A 1 83 ? 13.856 -18.743 -37.499 1.00 32.67 ? 89 GLU A OE2 1 ATOM 643 N N . LYS A 1 84 ? 9.965 -20.688 -34.028 1.00 31.70 ? 90 LYS A N 1 ATOM 644 C CA . LYS A 1 84 ? 9.805 -22.121 -33.803 1.00 33.02 ? 90 LYS A CA 1 ATOM 645 C C . LYS A 1 84 ? 11.070 -22.897 -34.137 1.00 34.40 ? 90 LYS A C 1 ATOM 646 O O . LYS A 1 84 ? 11.902 -22.443 -34.936 1.00 33.81 ? 90 LYS A O 1 ATOM 647 C CB . LYS A 1 84 ? 8.614 -22.659 -34.571 1.00 32.45 ? 90 LYS A CB 1 ATOM 648 C CG . LYS A 1 84 ? 7.330 -22.069 -34.060 1.00 30.98 ? 90 LYS A CG 1 ATOM 649 C CD . LYS A 1 84 ? 6.151 -22.650 -34.747 1.00 34.52 ? 90 LYS A CD 1 ATOM 650 C CE . LYS A 1 84 ? 4.862 -22.180 -34.069 1.00 34.48 ? 90 LYS A CE 1 ATOM 651 N NZ . LYS A 1 84 ? 3.786 -22.313 -35.077 1.00 37.19 ? 90 LYS A NZ 1 ATOM 652 N N . GLU A 1 85 ? 11.209 -24.057 -33.501 1.00 36.04 ? 91 GLU A N 1 ATOM 653 C CA . GLU A 1 85 ? 12.371 -24.923 -33.688 1.00 38.67 ? 91 GLU A CA 1 ATOM 654 C C . GLU A 1 85 ? 12.587 -25.240 -35.164 1.00 38.71 ? 91 GLU A C 1 ATOM 655 O O . GLU A 1 85 ? 13.702 -25.089 -35.663 1.00 38.92 ? 91 GLU A O 1 ATOM 656 C CB . GLU A 1 85 ? 12.244 -26.210 -32.851 1.00 39.36 ? 91 GLU A CB 1 ATOM 657 C CG . GLU A 1 85 ? 13.495 -27.117 -32.882 1.00 45.03 ? 91 GLU A CG 1 ATOM 658 C CD . GLU A 1 85 ? 14.792 -26.444 -32.357 1.00 52.69 ? 91 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 85 ? 14.735 -25.630 -31.396 1.00 55.10 ? 91 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 85 ? 15.881 -26.749 -32.907 1.00 55.16 ? 91 GLU A OE2 1 ATOM 661 N N . ASN A 1 86 ? 11.510 -25.639 -35.844 1.00 38.99 ? 92 ASN A N 1 ATOM 662 C CA . ASN A 1 86 ? 11.520 -25.970 -37.267 1.00 39.80 ? 92 ASN A CA 1 ATOM 663 C C . ASN A 1 86 ? 10.411 -25.249 -38.056 1.00 38.88 ? 92 ASN A C 1 ATOM 664 O O . ASN A 1 86 ? 9.439 -25.884 -38.464 1.00 39.07 ? 92 ASN A O 1 ATOM 665 C CB . ASN A 1 86 ? 11.378 -27.496 -37.457 1.00 40.66 ? 92 ASN A CB 1 ATOM 666 C CG . ASN A 1 86 ? 12.563 -28.276 -36.886 1.00 44.26 ? 92 ASN A CG 1 ATOM 667 O OD1 . ASN A 1 86 ? 12.422 -29.013 -35.898 1.00 48.06 ? 92 ASN A OD1 1 ATOM 668 N ND2 . ASN A 1 86 ? 13.742 -28.099 -37.491 1.00 46.36 ? 92 ASN A ND2 1 ATOM 669 N N . PRO A 1 87 ? 10.565 -23.929 -38.308 1.00 38.41 ? 93 PRO A N 1 ATOM 670 C CA . PRO A 1 87 ? 9.496 -23.217 -39.001 1.00 37.88 ? 93 PRO A CA 1 ATOM 671 C C . PRO A 1 87 ? 9.275 -23.763 -40.416 1.00 38.13 ? 93 PRO A C 1 ATOM 672 O O . PRO A 1 87 ? 10.236 -24.069 -41.121 1.00 37.94 ? 93 PRO A O 1 ATOM 673 C CB . PRO A 1 87 ? 10.011 -21.773 -39.077 1.00 37.68 ? 93 PRO A CB 1 ATOM 674 C CG . PRO A 1 87 ? 11.092 -21.683 -38.102 1.00 38.04 ? 93 PRO A CG 1 ATOM 675 C CD . PRO A 1 87 ? 11.710 -23.044 -38.027 1.00 38.10 ? 93 PRO A CD 1 ATOM 676 N N . ARG A 1 88 ? 8.013 -23.869 -40.806 1.00 37.84 ? 94 ARG A N 1 ATOM 677 C CA . ARG A 1 88 ? 7.603 -24.380 -42.113 1.00 39.33 ? 94 ARG A CA 1 ATOM 678 C C . ARG A 1 88 ? 7.955 -23.417 -43.261 1.00 38.14 ? 94 ARG A C 1 ATOM 679 O O . ARG A 1 88 ? 8.353 -23.840 -44.350 1.00 38.57 ? 94 ARG A O 1 ATOM 680 C CB . ARG A 1 88 ? 6.086 -24.585 -42.068 1.00 38.65 ? 94 ARG A CB 1 ATOM 681 C CG . ARG A 1 88 ? 5.483 -25.380 -43.185 1.00 41.73 ? 94 ARG A CG 1 ATOM 682 C CD . ARG A 1 88 ? 3.971 -25.551 -42.949 1.00 43.02 ? 94 ARG A CD 1 ATOM 683 N NE . ARG A 1 88 ? 3.685 -26.505 -41.866 1.00 49.65 ? 94 ARG A NE 1 ATOM 684 C CZ . ARG A 1 88 ? 3.503 -26.188 -40.581 1.00 51.77 ? 94 ARG A CZ 1 ATOM 685 N NH1 . ARG A 1 88 ? 3.567 -24.927 -40.177 1.00 53.12 ? 94 ARG A NH1 1 ATOM 686 N NH2 . ARG A 1 88 ? 3.249 -27.145 -39.691 1.00 52.61 ? 94 ARG A NH2 1 ATOM 687 N N . ASP A 1 89 ? 7.806 -22.122 -43.007 1.00 37.32 ? 95 ASP A N 1 ATOM 688 C CA . ASP A 1 89 ? 7.894 -21.108 -44.054 1.00 36.31 ? 95 ASP A CA 1 ATOM 689 C C . ASP A 1 89 ? 9.219 -20.342 -44.033 1.00 35.45 ? 95 ASP A C 1 ATOM 690 O O . ASP A 1 89 ? 9.356 -19.323 -43.369 1.00 35.06 ? 95 ASP A O 1 ATOM 691 C CB . ASP A 1 89 ? 6.672 -20.185 -43.983 1.00 36.35 ? 95 ASP A CB 1 ATOM 692 C CG . ASP A 1 89 ? 5.364 -20.966 -44.050 1.00 36.69 ? 95 ASP A CG 1 ATOM 693 O OD1 . ASP A 1 89 ? 5.232 -21.763 -44.993 1.00 38.70 ? 95 ASP A OD1 1 ATOM 694 O OD2 . ASP A 1 89 ? 4.482 -20.818 -43.170 1.00 35.99 ? 95 ASP A OD2 1 ATOM 695 N N . GLY A 1 90 A 10.188 -20.860 -44.776 1.00 34.47 ? 95 GLY A N 1 ATOM 696 C CA . GLY A 1 90 A 11.490 -20.231 -44.934 1.00 34.22 ? 95 GLY A CA 1 ATOM 697 C C . GLY A 1 90 A 11.740 -19.986 -46.408 1.00 34.30 ? 95 GLY A C 1 ATOM 698 O O . GLY A 1 90 A 11.064 -19.160 -47.035 1.00 33.16 ? 95 GLY A O 1 ATOM 699 N N . LEU A 1 91 ? 12.687 -20.735 -46.966 1.00 34.18 ? 96 LEU A N 1 ATOM 700 C CA . LEU A 1 91 ? 12.997 -20.667 -48.393 1.00 35.03 ? 96 LEU A CA 1 ATOM 701 C C . LEU A 1 91 ? 11.977 -21.518 -49.164 1.00 35.42 ? 96 LEU A C 1 ATOM 702 O O . LEU A 1 91 ? 12.151 -22.739 -49.293 1.00 35.58 ? 96 LEU A O 1 ATOM 703 C CB . LEU A 1 91 ? 14.421 -21.191 -48.646 1.00 34.68 ? 96 LEU A CB 1 ATOM 704 C CG . LEU A 1 91 ? 15.638 -20.252 -48.649 1.00 36.86 ? 96 LEU A CG 1 ATOM 705 C CD1 . LEU A 1 91 ? 15.622 -19.233 -47.546 1.00 36.49 ? 96 LEU A CD1 1 ATOM 706 C CD2 . LEU A 1 91 ? 16.906 -21.075 -48.545 1.00 36.04 ? 96 LEU A CD2 1 ATOM 707 N N . CYS A 1 92 ? 10.901 -20.886 -49.644 1.00 34.69 ? 97 CYS A N 1 ATOM 708 C CA . CYS A 1 92 ? 9.890 -21.593 -50.426 1.00 34.30 ? 97 CYS A CA 1 ATOM 709 C C . CYS A 1 92 ? 10.446 -22.036 -51.795 1.00 33.20 ? 97 CYS A C 1 ATOM 710 O O . CYS A 1 92 ? 10.235 -23.177 -52.184 1.00 33.32 ? 97 CYS A O 1 ATOM 711 C CB . CYS A 1 92 ? 8.605 -20.765 -50.571 1.00 34.18 ? 97 CYS A CB 1 ATOM 712 S SG . CYS A 1 92 ? 8.903 -19.002 -50.907 1.00 39.18 ? 97 CYS A SG 1 ATOM 713 N N . TYR A 1 93 ? 11.131 -21.145 -52.518 1.00 31.99 ? 98 TYR A N 1 ATOM 714 C CA . TYR A 1 93 ? 12.052 -21.592 -53.541 1.00 31.81 ? 98 TYR A CA 1 ATOM 715 C C . TYR A 1 93 ? 13.302 -22.098 -52.801 1.00 31.68 ? 98 TYR A C 1 ATOM 716 O O . TYR A 1 93 ? 13.927 -21.337 -52.040 1.00 33.19 ? 98 TYR A O 1 ATOM 717 C CB . TYR A 1 93 ? 12.421 -20.497 -54.555 1.00 31.75 ? 98 TYR A CB 1 ATOM 718 C CG . TYR A 1 93 ? 12.994 -21.113 -55.830 1.00 31.20 ? 98 TYR A CG 1 ATOM 719 C CD1 . TYR A 1 93 ? 12.192 -21.286 -56.969 1.00 31.04 ? 98 TYR A CD1 1 ATOM 720 C CD2 . TYR A 1 93 ? 14.317 -21.567 -55.878 1.00 29.38 ? 98 TYR A CD2 1 ATOM 721 C CE1 . TYR A 1 93 ? 12.703 -21.863 -58.120 1.00 29.95 ? 98 TYR A CE1 1 ATOM 722 C CE2 . TYR A 1 93 ? 14.830 -22.149 -57.009 1.00 30.26 ? 98 TYR A CE2 1 ATOM 723 C CZ . TYR A 1 93 ? 14.019 -22.295 -58.126 1.00 31.37 ? 98 TYR A CZ 1 ATOM 724 O OH . TYR A 1 93 ? 14.538 -22.875 -59.249 1.00 31.72 ? 98 TYR A OH 1 ATOM 725 N N . PRO A 1 94 ? 13.658 -23.376 -53.003 1.00 31.07 ? 99 PRO A N 1 ATOM 726 C CA . PRO A 1 94 ? 14.700 -23.993 -52.170 1.00 30.71 ? 99 PRO A CA 1 ATOM 727 C C . PRO A 1 94 ? 16.091 -23.406 -52.407 1.00 30.17 ? 99 PRO A C 1 ATOM 728 O O . PRO A 1 94 ? 16.373 -22.886 -53.489 1.00 29.40 ? 99 PRO A O 1 ATOM 729 C CB . PRO A 1 94 ? 14.671 -25.463 -52.610 1.00 30.19 ? 99 PRO A CB 1 ATOM 730 C CG . PRO A 1 94 ? 14.103 -25.441 -54.023 1.00 30.26 ? 99 PRO A CG 1 ATOM 731 C CD . PRO A 1 94 ? 13.121 -24.309 -54.022 1.00 30.75 ? 99 PRO A CD 1 ATOM 732 N N . GLY A 1 95 ? 16.956 -23.501 -51.404 1.00 30.49 ? 100 GLY A N 1 ATOM 733 C CA . GLY A 1 95 ? 18.352 -23.092 -51.569 1.00 30.31 ? 100 GLY A CA 1 ATOM 734 C C . GLY A 1 95 ? 19.046 -22.948 -50.240 1.00 31.33 ? 100 GLY A C 1 ATOM 735 O O . GLY A 1 95 ? 18.870 -23.770 -49.341 1.00 33.18 ? 100 GLY A O 1 ATOM 736 N N . SER A 1 96 ? 19.863 -21.918 -50.113 1.00 30.89 ? 101 SER A N 1 ATOM 737 C CA . SER A 1 96 ? 20.625 -21.716 -48.903 1.00 31.59 ? 101 SER A CA 1 ATOM 738 C C . SER A 1 96 ? 20.775 -20.219 -48.600 1.00 31.26 ? 101 SER A C 1 ATOM 739 O O . SER A 1 96 ? 20.481 -19.368 -49.428 1.00 30.81 ? 101 SER A O 1 ATOM 740 C CB . SER A 1 96 ? 21.997 -22.383 -49.025 1.00 30.78 ? 101 SER A CB 1 ATOM 741 O OG . SER A 1 96 ? 22.684 -21.864 -50.146 1.00 33.34 ? 101 SER A OG 1 ATOM 742 N N . PHE A 1 97 ? 21.260 -19.932 -47.403 1.00 31.12 ? 102 PHE A N 1 ATOM 743 C CA . PHE A 1 97 ? 21.411 -18.578 -46.937 1.00 30.84 ? 102 PHE A CA 1 ATOM 744 C C . PHE A 1 97 ? 22.781 -18.531 -46.296 1.00 30.67 ? 102 PHE A C 1 ATOM 745 O O . PHE A 1 97 ? 22.972 -19.031 -45.183 1.00 29.98 ? 102 PHE A O 1 ATOM 746 C CB . PHE A 1 97 ? 20.309 -18.267 -45.920 1.00 31.27 ? 102 PHE A CB 1 ATOM 747 C CG . PHE A 1 97 ? 19.977 -16.813 -45.827 1.00 31.72 ? 102 PHE A CG 1 ATOM 748 C CD1 . PHE A 1 97 ? 18.737 -16.349 -46.263 1.00 29.86 ? 102 PHE A CD1 1 ATOM 749 C CD2 . PHE A 1 97 ? 20.916 -15.899 -45.331 1.00 32.81 ? 102 PHE A CD2 1 ATOM 750 C CE1 . PHE A 1 97 ? 18.408 -14.993 -46.198 1.00 30.88 ? 102 PHE A CE1 1 ATOM 751 C CE2 . PHE A 1 97 ? 20.602 -14.521 -45.271 1.00 35.65 ? 102 PHE A CE2 1 ATOM 752 C CZ . PHE A 1 97 ? 19.326 -14.078 -45.712 1.00 33.46 ? 102 PHE A CZ 1 ATOM 753 N N . ASN A 1 98 ? 23.730 -17.946 -47.022 1.00 29.79 ? 103 ASN A N 1 ATOM 754 C CA . ASN A 1 98 ? 25.079 -17.808 -46.551 1.00 29.74 ? 103 ASN A CA 1 ATOM 755 C C . ASN A 1 98 ? 25.137 -16.989 -45.265 1.00 30.00 ? 103 ASN A C 1 ATOM 756 O O . ASN A 1 98 ? 24.457 -15.965 -45.139 1.00 30.42 ? 103 ASN A O 1 ATOM 757 C CB . ASN A 1 98 ? 25.948 -17.197 -47.642 1.00 29.58 ? 103 ASN A CB 1 ATOM 758 C CG . ASN A 1 98 ? 26.169 -18.141 -48.798 1.00 29.19 ? 103 ASN A CG 1 ATOM 759 O OD1 . ASN A 1 98 ? 26.309 -19.343 -48.595 1.00 29.64 ? 103 ASN A OD1 1 ATOM 760 N ND2 . ASN A 1 98 ? 26.248 -17.603 -50.012 1.00 27.39 ? 103 ASN A ND2 1 ATOM 761 N N . ASP A 1 99 ? 25.925 -17.470 -44.308 1.00 29.51 ? 104 ASP A N 1 ATOM 762 C CA . ASP A 1 99 ? 26.141 -16.785 -43.032 1.00 29.71 ? 104 ASP A CA 1 ATOM 763 C C . ASP A 1 99 ? 24.849 -16.492 -42.325 1.00 28.54 ? 104 ASP A C 1 ATOM 764 O O . ASP A 1 99 ? 24.677 -15.414 -41.754 1.00 28.24 ? 104 ASP A O 1 ATOM 765 C CB . ASP A 1 99 ? 26.914 -15.480 -43.232 1.00 30.42 ? 104 ASP A CB 1 ATOM 766 C CG . ASP A 1 99 ? 28.163 -15.667 -44.021 1.00 34.01 ? 104 ASP A CG 1 ATOM 767 O OD1 . ASP A 1 99 ? 29.069 -16.375 -43.535 1.00 35.61 ? 104 ASP A OD1 1 ATOM 768 O OD2 . ASP A 1 99 ? 28.246 -15.082 -45.125 1.00 39.21 ? 104 ASP A OD2 1 ATOM 769 N N . TYR A 1 100 ? 23.937 -17.457 -42.374 1.00 28.55 ? 105 TYR A N 1 ATOM 770 C CA . TYR A 1 100 ? 22.607 -17.321 -41.779 1.00 28.53 ? 105 TYR A CA 1 ATOM 771 C C . TYR A 1 100 ? 22.679 -17.148 -40.267 1.00 28.32 ? 105 TYR A C 1 ATOM 772 O O . TYR A 1 100 ? 22.050 -16.266 -39.714 1.00 28.41 ? 105 TYR A O 1 ATOM 773 C CB . TYR A 1 100 ? 21.763 -18.540 -42.121 1.00 28.11 ? 105 TYR A CB 1 ATOM 774 C CG . TYR A 1 100 ? 20.311 -18.402 -41.786 1.00 30.24 ? 105 TYR A CG 1 ATOM 775 C CD1 . TYR A 1 100 ? 19.626 -17.201 -42.011 1.00 28.27 ? 105 TYR A CD1 1 ATOM 776 C CD2 . TYR A 1 100 ? 19.609 -19.477 -41.251 1.00 30.38 ? 105 TYR A CD2 1 ATOM 777 C CE1 . TYR A 1 100 ? 18.289 -17.090 -41.707 1.00 30.34 ? 105 TYR A CE1 1 ATOM 778 C CE2 . TYR A 1 100 ? 18.275 -19.374 -40.951 1.00 31.68 ? 105 TYR A CE2 1 ATOM 779 C CZ . TYR A 1 100 ? 17.620 -18.184 -41.172 1.00 30.43 ? 105 TYR A CZ 1 ATOM 780 O OH . TYR A 1 100 ? 16.276 -18.123 -40.871 1.00 31.05 ? 105 TYR A OH 1 ATOM 781 N N . GLU A 1 101 ? 23.486 -17.966 -39.597 1.00 29.38 ? 106 GLU A N 1 ATOM 782 C CA . GLU A 1 101 ? 23.639 -17.824 -38.135 1.00 29.04 ? 106 GLU A CA 1 ATOM 783 C C . GLU A 1 101 ? 24.199 -16.478 -37.728 1.00 28.43 ? 106 GLU A C 1 ATOM 784 O O . GLU A 1 101 ? 23.778 -15.936 -36.705 1.00 28.44 ? 106 GLU A O 1 ATOM 785 C CB . GLU A 1 101 ? 24.490 -18.954 -37.578 1.00 29.39 ? 106 GLU A CB 1 ATOM 786 C CG . GLU A 1 101 ? 23.823 -20.323 -37.708 1.00 32.66 ? 106 GLU A CG 1 ATOM 787 C CD . GLU A 1 101 ? 23.915 -20.875 -39.119 1.00 36.80 ? 106 GLU A CD 1 ATOM 788 O OE1 . GLU A 1 101 ? 24.823 -20.494 -39.884 1.00 39.68 ? 106 GLU A OE1 1 ATOM 789 O OE2 . GLU A 1 101 ? 23.067 -21.697 -39.473 1.00 42.68 ? 106 GLU A OE2 1 ATOM 790 N N . GLU A 1 102 ? 25.144 -15.944 -38.516 1.00 28.04 ? 107 GLU A N 1 ATOM 791 C CA . GLU A 1 102 ? 25.715 -14.626 -38.257 1.00 28.39 ? 107 GLU A CA 1 ATOM 792 C C . GLU A 1 102 ? 24.637 -13.548 -38.375 1.00 28.53 ? 107 GLU A C 1 ATOM 793 O O . GLU A 1 102 ? 24.636 -12.575 -37.609 1.00 28.12 ? 107 GLU A O 1 ATOM 794 C CB . GLU A 1 102 ? 26.863 -14.300 -39.229 1.00 27.43 ? 107 GLU A CB 1 ATOM 795 C CG . GLU A 1 102 ? 28.212 -14.914 -38.888 1.00 30.26 ? 107 GLU A CG 1 ATOM 796 C CD . GLU A 1 102 ? 28.883 -14.279 -37.671 1.00 30.09 ? 107 GLU A CD 1 ATOM 797 O OE1 . GLU A 1 102 ? 29.024 -13.039 -37.649 1.00 30.72 ? 107 GLU A OE1 1 ATOM 798 O OE2 . GLU A 1 102 ? 29.309 -15.023 -36.755 1.00 27.08 ? 107 GLU A OE2 1 ATOM 799 N N . LEU A 1 103 ? 23.720 -13.725 -39.338 1.00 29.05 ? 108 LEU A N 1 ATOM 800 C CA . LEU A 1 103 ? 22.569 -12.823 -39.487 1.00 29.29 ? 108 LEU A CA 1 ATOM 801 C C . LEU A 1 103 ? 21.660 -12.870 -38.260 1.00 29.95 ? 108 LEU A C 1 ATOM 802 O O . LEU A 1 103 ? 21.291 -11.827 -37.728 1.00 29.70 ? 108 LEU A O 1 ATOM 803 C CB . LEU A 1 103 ? 21.765 -13.129 -40.767 1.00 29.61 ? 108 LEU A CB 1 ATOM 804 C CG . LEU A 1 103 ? 20.565 -12.207 -40.995 1.00 30.80 ? 108 LEU A CG 1 ATOM 805 C CD1 . LEU A 1 103 ? 21.001 -10.733 -40.930 1.00 31.04 ? 108 LEU A CD1 1 ATOM 806 C CD2 . LEU A 1 103 ? 19.918 -12.512 -42.312 1.00 32.74 ? 108 LEU A CD2 1 ATOM 807 N N . LYS A 1 104 ? 21.284 -14.078 -37.836 1.00 30.48 ? 109 LYS A N 1 ATOM 808 C CA . LYS A 1 104 ? 20.519 -14.261 -36.598 1.00 31.61 ? 109 LYS A CA 1 ATOM 809 C C . LYS A 1 104 ? 21.202 -13.621 -35.377 1.00 30.86 ? 109 LYS A C 1 ATOM 810 O O . LYS A 1 104 ? 20.531 -13.028 -34.535 1.00 31.01 ? 109 LYS A O 1 ATOM 811 C CB . LYS A 1 104 ? 20.218 -15.756 -36.348 1.00 31.36 ? 109 LYS A CB 1 ATOM 812 C CG . LYS A 1 104 ? 19.452 -16.424 -37.532 1.00 33.93 ? 109 LYS A CG 1 ATOM 813 C CD . LYS A 1 104 ? 19.145 -17.896 -37.308 1.00 33.93 ? 109 LYS A CD 1 ATOM 814 C CE . LYS A 1 104 ? 17.864 -18.053 -36.505 1.00 39.24 ? 109 LYS A CE 1 ATOM 815 N NZ . LYS A 1 104 ? 17.265 -19.420 -36.614 1.00 39.00 ? 109 LYS A NZ 1 ATOM 816 N N . HIS A 1 105 ? 22.524 -13.726 -35.287 1.00 30.53 ? 110 HIS A N 1 ATOM 817 C CA . HIS A 1 105 ? 23.256 -13.095 -34.190 1.00 31.26 ? 110 HIS A CA 1 ATOM 818 C C . HIS A 1 105 ? 23.132 -11.562 -34.201 1.00 32.38 ? 110 HIS A C 1 ATOM 819 O O . HIS A 1 105 ? 22.996 -10.924 -33.141 1.00 31.60 ? 110 HIS A O 1 ATOM 820 C CB . HIS A 1 105 ? 24.738 -13.500 -34.187 1.00 31.02 ? 110 HIS A CB 1 ATOM 821 C CG . HIS A 1 105 ? 25.505 -12.901 -33.054 1.00 29.81 ? 110 HIS A CG 1 ATOM 822 N ND1 . HIS A 1 105 ? 25.328 -13.303 -31.748 1.00 28.52 ? 110 HIS A ND1 1 ATOM 823 C CD2 . HIS A 1 105 ? 26.415 -11.897 -33.019 1.00 31.29 ? 110 HIS A CD2 1 ATOM 824 C CE1 . HIS A 1 105 ? 26.105 -12.585 -30.957 1.00 29.63 ? 110 HIS A CE1 1 ATOM 825 N NE2 . HIS A 1 105 ? 26.780 -11.723 -31.701 1.00 30.13 ? 110 HIS A NE2 1 ATOM 826 N N . LEU A 1 106 ? 23.216 -10.985 -35.396 1.00 33.09 ? 111 LEU A N 1 ATOM 827 C CA . LEU A 1 106 ? 23.023 -9.546 -35.586 1.00 35.54 ? 111 LEU A CA 1 ATOM 828 C C . LEU A 1 106 ? 21.674 -9.085 -35.012 1.00 35.95 ? 111 LEU A C 1 ATOM 829 O O . LEU A 1 106 ? 21.592 -8.066 -34.354 1.00 36.65 ? 111 LEU A O 1 ATOM 830 C CB . LEU A 1 106 ? 23.144 -9.162 -37.077 1.00 34.97 ? 111 LEU A CB 1 ATOM 831 C CG . LEU A 1 106 ? 22.694 -7.733 -37.455 1.00 37.78 ? 111 LEU A CG 1 ATOM 832 C CD1 . LEU A 1 106 ? 23.691 -6.712 -36.918 1.00 38.62 ? 111 LEU A CD1 1 ATOM 833 C CD2 . LEU A 1 106 ? 22.502 -7.552 -38.976 1.00 36.22 ? 111 LEU A CD2 1 ATOM 834 N N . LEU A 1 107 ? 20.635 -9.861 -35.268 1.00 37.19 ? 112 LEU A N 1 ATOM 835 C CA . LEU A 1 107 ? 19.295 -9.588 -34.775 1.00 38.59 ? 112 LEU A CA 1 ATOM 836 C C . LEU A 1 107 ? 19.156 -9.439 -33.253 1.00 39.50 ? 112 LEU A C 1 ATOM 837 O O . LEU A 1 107 ? 18.286 -8.687 -32.798 1.00 39.72 ? 112 LEU A O 1 ATOM 838 C CB . LEU A 1 107 ? 18.301 -10.622 -35.326 1.00 37.75 ? 112 LEU A CB 1 ATOM 839 C CG . LEU A 1 107 ? 17.969 -10.318 -36.795 1.00 38.95 ? 112 LEU A CG 1 ATOM 840 C CD1 . LEU A 1 107 ? 17.194 -11.443 -37.431 1.00 39.97 ? 112 LEU A CD1 1 ATOM 841 C CD2 . LEU A 1 107 ? 17.174 -9.015 -36.917 1.00 38.34 ? 112 LEU A CD2 1 ATOM 842 N N . SER A 1 108 ? 20.023 -10.094 -32.480 1.00 39.71 ? 113 SER A N 1 ATOM 843 C CA . SER A 1 108 ? 19.984 -9.997 -31.006 1.00 40.69 ? 113 SER A CA 1 ATOM 844 C C . SER A 1 108 ? 20.407 -8.634 -30.462 1.00 40.57 ? 113 SER A C 1 ATOM 845 O O . SER A 1 108 ? 20.303 -8.361 -29.249 1.00 40.83 ? 113 SER A O 1 ATOM 846 C CB . SER A 1 108 ? 20.857 -11.083 -30.373 1.00 40.77 ? 113 SER A CB 1 ATOM 847 O OG . SER A 1 108 ? 22.224 -10.753 -30.539 1.00 44.40 ? 113 SER A OG 1 ATOM 848 N N . SER A 1 109 ? 20.910 -7.777 -31.341 1.00 39.86 ? 114 SER A N 1 ATOM 849 C CA . SER A 1 109 ? 21.190 -6.403 -30.940 1.00 39.78 ? 114 SER A CA 1 ATOM 850 C C . SER A 1 109 ? 20.303 -5.390 -31.683 1.00 38.59 ? 114 SER A C 1 ATOM 851 O O . SER A 1 109 ? 20.536 -4.185 -31.592 1.00 39.69 ? 114 SER A O 1 ATOM 852 C CB . SER A 1 109 ? 22.684 -6.075 -31.090 1.00 39.95 ? 114 SER A CB 1 ATOM 853 O OG . SER A 1 109 ? 23.155 -6.399 -32.389 1.00 42.07 ? 114 SER A OG 1 ATOM 854 N N . VAL A 1 110 ? 19.300 -5.882 -32.411 1.00 37.12 ? 115 VAL A N 1 ATOM 855 C CA . VAL A 1 110 ? 18.415 -5.037 -33.238 1.00 35.40 ? 115 VAL A CA 1 ATOM 856 C C . VAL A 1 110 ? 16.992 -5.175 -32.712 1.00 34.20 ? 115 VAL A C 1 ATOM 857 O O . VAL A 1 110 ? 16.547 -6.275 -32.446 1.00 33.96 ? 115 VAL A O 1 ATOM 858 C CB . VAL A 1 110 ? 18.489 -5.420 -34.755 1.00 35.27 ? 115 VAL A CB 1 ATOM 859 C CG1 . VAL A 1 110 ? 17.528 -4.612 -35.605 1.00 35.10 ? 115 VAL A CG1 1 ATOM 860 C CG2 . VAL A 1 110 ? 19.903 -5.244 -35.286 1.00 34.94 ? 115 VAL A CG2 1 ATOM 861 N N . LYS A 1 111 ? 16.292 -4.052 -32.563 1.00 32.90 ? 116 LYS A N 1 ATOM 862 C CA . LYS A 1 111 ? 14.944 -4.015 -31.985 1.00 32.03 ? 116 LYS A CA 1 ATOM 863 C C . LYS A 1 111 ? 13.920 -3.472 -32.972 1.00 30.69 ? 116 LYS A C 1 ATOM 864 O O . LYS A 1 111 ? 12.728 -3.542 -32.730 1.00 29.82 ? 116 LYS A O 1 ATOM 865 C CB . LYS A 1 111 ? 14.921 -3.140 -30.717 1.00 32.37 ? 116 LYS A CB 1 ATOM 866 C CG . LYS A 1 111 ? 15.607 -3.761 -29.501 1.00 35.43 ? 116 LYS A CG 1 ATOM 867 C CD . LYS A 1 111 ? 15.760 -2.676 -28.427 1.00 39.83 ? 116 LYS A CD 1 ATOM 868 C CE . LYS A 1 111 ? 15.873 -3.263 -27.046 1.00 43.50 ? 116 LYS A CE 1 ATOM 869 N NZ . LYS A 1 111 ? 16.092 -2.179 -26.042 1.00 46.91 ? 116 LYS A NZ 1 ATOM 870 N N . HIS A 1 112 A 14.388 -2.902 -34.078 1.00 30.24 ? 116 HIS A N 1 ATOM 871 C CA . HIS A 1 112 A 13.481 -2.449 -35.107 1.00 30.23 ? 116 HIS A CA 1 ATOM 872 C C . HIS A 1 112 A 14.209 -2.216 -36.423 1.00 30.09 ? 116 HIS A C 1 ATOM 873 O O . HIS A 1 112 A 15.368 -1.803 -36.424 1.00 29.46 ? 116 HIS A O 1 ATOM 874 C CB . HIS A 1 112 A 12.732 -1.170 -34.642 1.00 30.14 ? 116 HIS A CB 1 ATOM 875 C CG . HIS A 1 112 A 11.570 -0.799 -35.514 1.00 30.97 ? 116 HIS A CG 1 ATOM 876 N ND1 . HIS A 1 112 A 11.368 0.484 -35.978 1.00 30.74 ? 116 HIS A ND1 1 ATOM 877 C CD2 . HIS A 1 112 A 10.559 -1.548 -36.023 1.00 29.86 ? 116 HIS A CD2 1 ATOM 878 C CE1 . HIS A 1 112 A 10.273 0.513 -36.716 1.00 31.09 ? 116 HIS A CE1 1 ATOM 879 N NE2 . HIS A 1 112 A 9.767 -0.706 -36.764 1.00 31.39 ? 116 HIS A NE2 1 ATOM 880 N N . PHE A 1 113 B 13.526 -2.513 -37.534 1.00 30.57 ? 116 PHE A N 1 ATOM 881 C CA . PHE A 1 113 B 13.958 -2.101 -38.885 1.00 31.07 ? 116 PHE A CA 1 ATOM 882 C C . PHE A 1 113 B 12.987 -1.107 -39.514 1.00 31.59 ? 116 PHE A C 1 ATOM 883 O O . PHE A 1 113 B 11.795 -1.087 -39.190 1.00 31.29 ? 116 PHE A O 1 ATOM 884 C CB . PHE A 1 113 B 13.975 -3.290 -39.852 1.00 30.94 ? 116 PHE A CB 1 ATOM 885 C CG . PHE A 1 113 B 15.069 -4.299 -39.612 1.00 30.00 ? 116 PHE A CG 1 ATOM 886 C CD1 . PHE A 1 113 B 16.413 -3.925 -39.637 1.00 30.20 ? 116 PHE A CD1 1 ATOM 887 C CD2 . PHE A 1 113 B 14.748 -5.643 -39.466 1.00 28.76 ? 116 PHE A CD2 1 ATOM 888 C CE1 . PHE A 1 113 B 17.426 -4.862 -39.461 1.00 28.19 ? 116 PHE A CE1 1 ATOM 889 C CE2 . PHE A 1 113 B 15.744 -6.600 -39.287 1.00 29.13 ? 116 PHE A CE2 1 ATOM 890 C CZ . PHE A 1 113 B 17.098 -6.199 -39.280 1.00 30.14 ? 116 PHE A CZ 1 ATOM 891 N N . GLU A 1 114 C 13.494 -0.304 -40.443 1.00 32.23 ? 116 GLU A N 1 ATOM 892 C CA . GLU A 1 114 C 12.643 0.405 -41.390 1.00 33.03 ? 116 GLU A CA 1 ATOM 893 C C . GLU A 1 114 C 12.976 -0.184 -42.740 1.00 32.43 ? 116 GLU A C 1 ATOM 894 O O . GLU A 1 114 C 14.146 -0.185 -43.155 1.00 31.93 ? 116 GLU A O 1 ATOM 895 C CB . GLU A 1 114 C 12.915 1.914 -41.407 1.00 32.75 ? 116 GLU A CB 1 ATOM 896 C CG . GLU A 1 114 C 12.333 2.678 -40.237 1.00 35.91 ? 116 GLU A CG 1 ATOM 897 C CD . GLU A 1 114 C 12.765 4.163 -40.212 1.00 35.74 ? 116 GLU A CD 1 ATOM 898 O OE1 . GLU A 1 114 C 12.754 4.832 -41.279 1.00 39.26 ? 116 GLU A OE1 1 ATOM 899 O OE2 . GLU A 1 114 C 13.124 4.657 -39.118 1.00 40.38 ? 116 GLU A OE2 1 ATOM 900 N N . LYS A 1 115 ? 11.965 -0.726 -43.412 1.00 32.24 ? 117 LYS A N 1 ATOM 901 C CA . LYS A 1 115 ? 12.199 -1.344 -44.699 1.00 32.10 ? 117 LYS A CA 1 ATOM 902 C C . LYS A 1 115 ? 12.166 -0.210 -45.700 1.00 31.96 ? 117 LYS A C 1 ATOM 903 O O . LYS A 1 115 ? 11.233 0.581 -45.697 1.00 33.07 ? 117 LYS A O 1 ATOM 904 C CB . LYS A 1 115 ? 11.131 -2.397 -44.994 1.00 32.23 ? 117 LYS A CB 1 ATOM 905 C CG . LYS A 1 115 ? 11.508 -3.347 -46.124 1.00 32.94 ? 117 LYS A CG 1 ATOM 906 C CD . LYS A 1 115 ? 10.613 -4.589 -46.151 1.00 33.20 ? 117 LYS A CD 1 ATOM 907 C CE . LYS A 1 115 ? 9.241 -4.304 -46.717 1.00 30.66 ? 117 LYS A CE 1 ATOM 908 N NZ . LYS A 1 115 ? 8.605 -5.615 -47.057 1.00 27.79 ? 117 LYS A NZ 1 ATOM 909 N N . VAL A 1 116 ? 13.201 -0.111 -46.523 1.00 30.74 ? 118 VAL A N 1 ATOM 910 C CA . VAL A 1 116 ? 13.380 1.009 -47.436 1.00 30.21 ? 118 VAL A CA 1 ATOM 911 C C . VAL A 1 116 ? 13.423 0.426 -48.847 1.00 30.58 ? 118 VAL A C 1 ATOM 912 O O . VAL A 1 116 ? 14.122 -0.555 -49.078 1.00 29.26 ? 118 VAL A O 1 ATOM 913 C CB . VAL A 1 116 ? 14.695 1.812 -47.098 1.00 29.85 ? 118 VAL A CB 1 ATOM 914 C CG1 . VAL A 1 116 ? 14.958 2.907 -48.111 1.00 31.03 ? 118 VAL A CG1 1 ATOM 915 C CG2 . VAL A 1 116 ? 14.589 2.458 -45.724 1.00 29.27 ? 118 VAL A CG2 1 ATOM 916 N N . LYS A 1 117 ? 12.644 0.994 -49.767 1.00 30.97 ? 119 LYS A N 1 ATOM 917 C CA . LYS A 1 117 ? 12.676 0.584 -51.185 1.00 32.69 ? 119 LYS A CA 1 ATOM 918 C C . LYS A 1 117 ? 13.926 1.141 -51.867 1.00 33.06 ? 119 LYS A C 1 ATOM 919 O O . LYS A 1 117 ? 13.933 2.255 -52.379 1.00 34.54 ? 119 LYS A O 1 ATOM 920 C CB . LYS A 1 117 ? 11.404 1.025 -51.929 1.00 32.15 ? 119 LYS A CB 1 ATOM 921 C CG . LYS A 1 117 ? 11.174 0.291 -53.261 1.00 32.77 ? 119 LYS A CG 1 ATOM 922 C CD . LYS A 1 117 ? 9.876 0.719 -53.960 1.00 33.86 ? 119 LYS A CD 1 ATOM 923 C CE . LYS A 1 117 ? 8.669 -0.018 -53.408 1.00 34.48 ? 119 LYS A CE 1 ATOM 924 N NZ . LYS A 1 117 ? 7.448 0.344 -54.190 1.00 36.86 ? 119 LYS A NZ 1 ATOM 925 N N . ILE A 1 118 ? 14.996 0.365 -51.866 1.00 33.39 ? 120 ILE A N 1 ATOM 926 C CA . ILE A 1 118 ? 16.276 0.867 -52.352 1.00 33.35 ? 120 ILE A CA 1 ATOM 927 C C . ILE A 1 118 ? 16.430 0.700 -53.867 1.00 33.20 ? 120 ILE A C 1 ATOM 928 O O . ILE A 1 118 ? 17.116 1.484 -54.492 1.00 33.09 ? 120 ILE A O 1 ATOM 929 C CB . ILE A 1 118 ? 17.493 0.231 -51.566 1.00 33.06 ? 120 ILE A CB 1 ATOM 930 C CG1 . ILE A 1 118 ? 17.535 -1.281 -51.787 1.00 33.82 ? 120 ILE A CG1 1 ATOM 931 C CG2 . ILE A 1 118 ? 17.394 0.577 -50.097 1.00 31.36 ? 120 ILE A CG2 1 ATOM 932 C CD1 . ILE A 1 118 ? 18.751 -2.002 -51.230 1.00 34.05 ? 120 ILE A CD1 1 ATOM 933 N N . LEU A 1 119 ? 15.815 -0.326 -54.451 1.00 33.14 ? 121 LEU A N 1 ATOM 934 C CA . LEU A 1 119 ? 15.975 -0.572 -55.885 1.00 33.76 ? 121 LEU A CA 1 ATOM 935 C C . LEU A 1 119 ? 14.628 -0.835 -56.561 1.00 34.01 ? 121 LEU A C 1 ATOM 936 O O . LEU A 1 119 ? 14.346 -1.974 -56.945 1.00 32.76 ? 121 LEU A O 1 ATOM 937 C CB . LEU A 1 119 ? 16.958 -1.725 -56.150 1.00 33.97 ? 121 LEU A CB 1 ATOM 938 C CG . LEU A 1 119 ? 18.439 -1.484 -55.809 1.00 35.65 ? 121 LEU A CG 1 ATOM 939 C CD1 . LEU A 1 119 ? 19.159 -2.784 -55.460 1.00 38.14 ? 121 LEU A CD1 1 ATOM 940 C CD2 . LEU A 1 119 ? 19.159 -0.753 -56.944 1.00 37.15 ? 121 LEU A CD2 1 ATOM 941 N N . PRO A 1 120 ? 13.791 0.224 -56.715 1.00 34.80 ? 122 PRO A N 1 ATOM 942 C CA . PRO A 1 120 ? 12.410 0.021 -57.221 1.00 35.01 ? 122 PRO A CA 1 ATOM 943 C C . PRO A 1 120 ? 12.414 -0.863 -58.455 1.00 35.74 ? 122 PRO A C 1 ATOM 944 O O . PRO A 1 120 ? 13.233 -0.658 -59.358 1.00 35.29 ? 122 PRO A O 1 ATOM 945 C CB . PRO A 1 120 ? 11.946 1.430 -57.566 1.00 35.18 ? 122 PRO A CB 1 ATOM 946 C CG . PRO A 1 120 ? 12.739 2.319 -56.673 1.00 35.85 ? 122 PRO A CG 1 ATOM 947 C CD . PRO A 1 120 ? 14.076 1.645 -56.445 1.00 34.62 ? 122 PRO A CD 1 ATOM 948 N N . LYS A 1 121 ? 11.533 -1.861 -58.443 1.00 36.77 ? 123 LYS A N 1 ATOM 949 C CA . LYS A 1 121 ? 11.358 -2.841 -59.513 1.00 38.64 ? 123 LYS A CA 1 ATOM 950 C C . LYS A 1 121 ? 11.118 -2.214 -60.892 1.00 38.99 ? 123 LYS A C 1 ATOM 951 O O . LYS A 1 121 ? 11.685 -2.670 -61.888 1.00 38.15 ? 123 LYS A O 1 ATOM 952 C CB . LYS A 1 121 ? 10.151 -3.724 -59.176 1.00 39.00 ? 123 LYS A CB 1 ATOM 953 C CG . LYS A 1 121 ? 10.282 -5.151 -59.602 1.00 40.68 ? 123 LYS A CG 1 ATOM 954 C CD . LYS A 1 121 ? 8.999 -5.936 -59.334 1.00 43.23 ? 123 LYS A CD 1 ATOM 955 C CE . LYS A 1 121 ? 8.526 -5.818 -57.895 1.00 43.95 ? 123 LYS A CE 1 ATOM 956 N NZ . LYS A 1 121 ? 7.569 -6.885 -57.508 1.00 43.57 ? 123 LYS A NZ 1 ATOM 957 N N . ASP A 1 122 ? 10.280 -1.172 -60.925 1.00 39.92 ? 125 ASP A N 1 ATOM 958 C CA . ASP A 1 122 ? 9.929 -0.457 -62.159 1.00 41.41 ? 125 ASP A CA 1 ATOM 959 C C . ASP A 1 122 ? 11.147 0.059 -62.928 1.00 41.80 ? 125 ASP A C 1 ATOM 960 O O . ASP A 1 122 ? 11.047 0.311 -64.127 1.00 41.93 ? 125 ASP A O 1 ATOM 961 C CB . ASP A 1 122 ? 8.901 0.674 -61.896 1.00 41.60 ? 125 ASP A CB 1 ATOM 962 C CG . ASP A 1 122 ? 9.521 1.923 -61.251 1.00 44.31 ? 125 ASP A CG 1 ATOM 963 O OD1 . ASP A 1 122 ? 10.378 1.790 -60.351 1.00 47.61 ? 125 ASP A OD1 1 ATOM 964 O OD2 . ASP A 1 122 ? 9.132 3.062 -61.630 1.00 48.41 ? 125 ASP A OD2 1 ATOM 965 N N . ARG A 1 123 ? 12.292 0.190 -62.244 1.00 42.00 ? 126 ARG A N 1 ATOM 966 C CA . ARG A 1 123 ? 13.501 0.734 -62.861 1.00 42.32 ? 126 ARG A CA 1 ATOM 967 C C . ARG A 1 123 ? 14.287 -0.287 -63.698 1.00 42.22 ? 126 ARG A C 1 ATOM 968 O O . ARG A 1 123 ? 15.206 0.093 -64.426 1.00 42.10 ? 126 ARG A O 1 ATOM 969 C CB . ARG A 1 123 ? 14.404 1.411 -61.816 1.00 42.70 ? 126 ARG A CB 1 ATOM 970 C CG . ARG A 1 123 ? 13.872 2.761 -61.269 1.00 44.48 ? 126 ARG A CG 1 ATOM 971 C CD . ARG A 1 123 ? 13.881 3.872 -62.335 1.00 48.01 ? 126 ARG A CD 1 ATOM 972 N NE . ARG A 1 123 ? 13.363 5.136 -61.794 1.00 52.76 ? 126 ARG A NE 1 ATOM 973 C CZ . ARG A 1 123 ? 13.341 6.306 -62.437 1.00 52.58 ? 126 ARG A CZ 1 ATOM 974 N NH1 . ARG A 1 123 ? 13.814 6.418 -63.679 1.00 54.01 ? 126 ARG A NH1 1 ATOM 975 N NH2 . ARG A 1 123 ? 12.839 7.373 -61.832 1.00 52.60 ? 126 ARG A NH2 1 ATOM 976 N N . TRP A 1 124 ? 13.930 -1.568 -63.601 1.00 41.73 ? 127 TRP A N 1 ATOM 977 C CA . TRP A 1 124 ? 14.545 -2.603 -64.447 1.00 41.84 ? 127 TRP A CA 1 ATOM 978 C C . TRP A 1 124 ? 13.821 -2.632 -65.802 1.00 42.90 ? 127 TRP A C 1 ATOM 979 O O . TRP A 1 124 ? 13.029 -3.550 -66.089 1.00 43.13 ? 127 TRP A O 1 ATOM 980 C CB . TRP A 1 124 ? 14.477 -3.996 -63.797 1.00 40.16 ? 127 TRP A CB 1 ATOM 981 C CG . TRP A 1 124 ? 15.246 -4.175 -62.507 1.00 38.51 ? 127 TRP A CG 1 ATOM 982 C CD1 . TRP A 1 124 ? 14.711 -4.388 -61.267 1.00 36.56 ? 127 TRP A CD1 1 ATOM 983 C CD2 . TRP A 1 124 ? 16.673 -4.183 -62.333 1.00 36.39 ? 127 TRP A CD2 1 ATOM 984 N NE1 . TRP A 1 124 ? 15.707 -4.523 -60.336 1.00 36.10 ? 127 TRP A NE1 1 ATOM 985 C CE2 . TRP A 1 124 ? 16.922 -4.396 -60.957 1.00 35.60 ? 127 TRP A CE2 1 ATOM 986 C CE3 . TRP A 1 124 ? 17.764 -4.015 -63.202 1.00 36.36 ? 127 TRP A CE3 1 ATOM 987 C CZ2 . TRP A 1 124 ? 18.218 -4.470 -60.426 1.00 36.35 ? 127 TRP A CZ2 1 ATOM 988 C CZ3 . TRP A 1 124 ? 19.058 -4.073 -62.677 1.00 36.61 ? 127 TRP A CZ3 1 ATOM 989 C CH2 . TRP A 1 124 ? 19.274 -4.304 -61.301 1.00 37.37 ? 127 TRP A CH2 1 ATOM 990 N N . THR A 1 125 ? 14.078 -1.615 -66.624 1.00 43.73 ? 128 THR A N 1 ATOM 991 C CA . THR A 1 125 ? 13.334 -1.428 -67.879 1.00 44.43 ? 128 THR A CA 1 ATOM 992 C C . THR A 1 125 ? 13.746 -2.384 -69.010 1.00 44.85 ? 128 THR A C 1 ATOM 993 O O . THR A 1 125 ? 12.984 -2.571 -69.965 1.00 45.31 ? 128 THR A O 1 ATOM 994 C CB . THR A 1 125 ? 13.403 0.036 -68.376 1.00 44.35 ? 128 THR A CB 1 ATOM 995 O OG1 . THR A 1 125 ? 14.752 0.528 -68.263 1.00 44.71 ? 128 THR A OG1 1 ATOM 996 C CG2 . THR A 1 125 ? 12.470 0.920 -67.541 1.00 45.15 ? 128 THR A CG2 1 ATOM 997 N N . GLN A 1 126 ? 14.930 -2.989 -68.884 1.00 44.98 ? 129 GLN A N 1 ATOM 998 C CA . GLN A 1 126 ? 15.500 -3.881 -69.910 1.00 45.48 ? 129 GLN A CA 1 ATOM 999 C C . GLN A 1 126 ? 15.313 -5.385 -69.615 1.00 44.66 ? 129 GLN A C 1 ATOM 1000 O O . GLN A 1 126 ? 15.680 -6.246 -70.433 1.00 45.10 ? 129 GLN A O 1 ATOM 1001 C CB . GLN A 1 126 ? 16.991 -3.563 -70.118 1.00 45.28 ? 129 GLN A CB 1 ATOM 1002 C CG . GLN A 1 126 ? 17.286 -2.194 -70.734 1.00 46.34 ? 129 GLN A CG 1 ATOM 1003 C CD . GLN A 1 126 ? 18.691 -2.118 -71.355 1.00 47.64 ? 129 GLN A CD 1 ATOM 1004 O OE1 . GLN A 1 126 ? 19.625 -1.551 -70.765 1.00 49.72 ? 129 GLN A OE1 1 ATOM 1005 N NE2 . GLN A 1 126 ? 18.845 -2.700 -72.552 1.00 50.30 ? 129 GLN A NE2 1 ATOM 1006 N N . HIS A 1 127 ? 14.734 -5.695 -68.457 1.00 43.86 ? 130 HIS A N 1 ATOM 1007 C CA . HIS A 1 127 ? 14.547 -7.080 -68.006 1.00 42.77 ? 130 HIS A CA 1 ATOM 1008 C C . HIS A 1 127 ? 13.117 -7.287 -67.543 1.00 42.66 ? 130 HIS A C 1 ATOM 1009 O O . HIS A 1 127 ? 12.442 -6.334 -67.164 1.00 42.94 ? 130 HIS A O 1 ATOM 1010 C CB . HIS A 1 127 ? 15.510 -7.432 -66.859 1.00 41.83 ? 130 HIS A CB 1 ATOM 1011 C CG . HIS A 1 127 ? 16.954 -7.255 -67.206 1.00 40.72 ? 130 HIS A CG 1 ATOM 1012 N ND1 . HIS A 1 127 ? 17.602 -6.041 -67.092 1.00 39.23 ? 130 HIS A ND1 1 ATOM 1013 C CD2 . HIS A 1 127 ? 17.875 -8.129 -67.677 1.00 38.12 ? 130 HIS A CD2 1 ATOM 1014 C CE1 . HIS A 1 127 ? 18.856 -6.174 -67.480 1.00 37.69 ? 130 HIS A CE1 1 ATOM 1015 N NE2 . HIS A 1 127 ? 19.050 -7.431 -67.836 1.00 38.11 ? 130 HIS A NE2 1 ATOM 1016 N N . THR A 1 128 ? 12.665 -8.539 -67.578 1.00 42.52 ? 131 THR A N 1 ATOM 1017 C CA . THR A 1 128 ? 11.384 -8.928 -66.995 1.00 42.46 ? 131 THR A CA 1 ATOM 1018 C C . THR A 1 128 ? 11.572 -9.105 -65.483 1.00 42.20 ? 131 THR A C 1 ATOM 1019 O O . THR A 1 128 ? 12.615 -9.591 -65.026 1.00 42.26 ? 131 THR A O 1 ATOM 1020 C CB . THR A 1 128 ? 10.863 -10.228 -67.631 1.00 42.40 ? 131 THR A CB 1 ATOM 1021 O OG1 . THR A 1 128 ? 10.933 -10.119 -69.059 1.00 43.11 ? 131 THR A OG1 1 ATOM 1022 C CG2 . THR A 1 128 ? 9.426 -10.491 -67.239 1.00 42.78 ? 131 THR A CG2 1 ATOM 1023 N N . THR A 1 129 ? 10.569 -8.695 -64.719 1.00 42.28 ? 132 THR A N 1 ATOM 1024 C CA . THR A 1 129 ? 10.645 -8.674 -63.259 1.00 42.29 ? 132 THR A CA 1 ATOM 1025 C C . THR A 1 129 ? 9.440 -9.357 -62.618 1.00 42.68 ? 132 THR A C 1 ATOM 1026 O O . THR A 1 129 ? 9.317 -9.393 -61.392 1.00 42.72 ? 132 THR A O 1 ATOM 1027 C CB . THR A 1 129 ? 10.765 -7.234 -62.715 1.00 42.40 ? 132 THR A CB 1 ATOM 1028 O OG1 . THR A 1 129 ? 9.660 -6.456 -63.171 1.00 42.63 ? 132 THR A OG1 1 ATOM 1029 C CG2 . THR A 1 129 ? 12.059 -6.579 -63.177 1.00 41.24 ? 132 THR A CG2 1 ATOM 1030 N N . THR A 1 130 ? 8.573 -9.921 -63.454 1.00 42.73 ? 133 THR A N 1 ATOM 1031 C CA . THR A 1 130 ? 7.306 -10.503 -63.009 1.00 43.15 ? 133 THR A CA 1 ATOM 1032 C C . THR A 1 130 ? 7.415 -11.987 -62.664 1.00 42.99 ? 133 THR A C 1 ATOM 1033 O O . THR A 1 130 ? 6.487 -12.561 -62.068 1.00 43.23 ? 133 THR A O 1 ATOM 1034 C CB . THR A 1 130 ? 6.199 -10.324 -64.069 1.00 43.45 ? 133 THR A CB 1 ATOM 1035 O OG1 . THR A 1 130 ? 6.617 -10.916 -65.308 1.00 44.51 ? 133 THR A OG1 1 ATOM 1036 C CG2 . THR A 1 130 ? 5.890 -8.833 -64.295 1.00 44.05 ? 133 THR A CG2 1 ATOM 1037 N N . GLY A 1 131 ? 8.551 -12.591 -63.019 1.00 42.24 ? 134 GLY A N 1 ATOM 1038 C CA . GLY A 1 131 ? 8.803 -14.021 -62.808 1.00 40.88 ? 134 GLY A CA 1 ATOM 1039 C C . GLY A 1 131 ? 8.669 -14.523 -61.377 1.00 40.06 ? 134 GLY A C 1 ATOM 1040 O O . GLY A 1 131 ? 9.157 -13.887 -60.403 1.00 38.99 ? 134 GLY A O 1 ATOM 1041 N N . GLY A 1 132 ? 7.972 -15.657 -61.266 1.00 38.92 ? 135 GLY A N 1 ATOM 1042 C CA . GLY A 1 132 ? 7.849 -16.393 -60.027 1.00 37.64 ? 135 GLY A CA 1 ATOM 1043 C C . GLY A 1 132 ? 7.918 -17.899 -60.202 1.00 37.34 ? 135 GLY A C 1 ATOM 1044 O O . GLY A 1 132 ? 8.361 -18.406 -61.231 1.00 37.50 ? 135 GLY A O 1 ATOM 1045 N N . SER A 1 133 ? 7.473 -18.620 -59.181 1.00 35.95 ? 136 SER A N 1 ATOM 1046 C CA . SER A 1 133 ? 7.591 -20.050 -59.156 1.00 34.54 ? 136 SER A CA 1 ATOM 1047 C C . SER A 1 133 ? 6.385 -20.618 -58.449 1.00 34.98 ? 136 SER A C 1 ATOM 1048 O O . SER A 1 133 ? 5.828 -19.995 -57.530 1.00 33.86 ? 136 SER A O 1 ATOM 1049 C CB . SER A 1 133 ? 8.855 -20.473 -58.405 1.00 34.38 ? 136 SER A CB 1 ATOM 1050 O OG . SER A 1 133 ? 8.932 -21.881 -58.291 1.00 32.18 ? 136 SER A OG 1 ATOM 1051 N N . ARG A 1 134 ? 6.002 -21.809 -58.877 1.00 34.75 ? 137 ARG A N 1 ATOM 1052 C CA . ARG A 1 134 ? 4.988 -22.581 -58.192 1.00 35.64 ? 137 ARG A CA 1 ATOM 1053 C C . ARG A 1 134 ? 5.453 -23.012 -56.811 1.00 34.88 ? 137 ARG A C 1 ATOM 1054 O O . ARG A 1 134 ? 4.641 -23.334 -55.956 1.00 34.07 ? 137 ARG A O 1 ATOM 1055 C CB . ARG A 1 134 ? 4.544 -23.764 -59.055 1.00 36.21 ? 137 ARG A CB 1 ATOM 1056 C CG . ARG A 1 134 ? 3.178 -23.497 -59.695 1.00 41.05 ? 137 ARG A CG 1 ATOM 1057 C CD . ARG A 1 134 ? 2.940 -24.222 -60.999 1.00 47.59 ? 137 ARG A CD 1 ATOM 1058 N NE . ARG A 1 134 ? 3.432 -23.423 -62.119 1.00 53.41 ? 137 ARG A NE 1 ATOM 1059 C CZ . ARG A 1 134 ? 3.219 -23.689 -63.405 1.00 53.59 ? 137 ARG A CZ 1 ATOM 1060 N NH1 . ARG A 1 134 ? 2.496 -24.744 -63.765 1.00 55.82 ? 137 ARG A NH1 1 ATOM 1061 N NH2 . ARG A 1 134 ? 3.732 -22.885 -64.329 1.00 54.59 ? 137 ARG A NH2 1 ATOM 1062 N N . ALA A 1 135 ? 6.765 -22.978 -56.586 1.00 34.23 ? 138 ALA A N 1 ATOM 1063 C CA . ALA A 1 135 ? 7.303 -23.232 -55.256 1.00 34.62 ? 138 ALA A CA 1 ATOM 1064 C C . ALA A 1 135 ? 6.858 -22.138 -54.269 1.00 34.65 ? 138 ALA A C 1 ATOM 1065 O O . ALA A 1 135 ? 6.736 -22.399 -53.082 1.00 34.74 ? 138 ALA A O 1 ATOM 1066 C CB . ALA A 1 135 ? 8.862 -23.368 -55.301 1.00 33.79 ? 138 ALA A CB 1 ATOM 1067 N N . CYS A 1 136 ? 6.630 -20.922 -54.772 1.00 35.40 ? 139 CYS A N 1 ATOM 1068 C CA . CYS A 1 136 ? 6.140 -19.792 -53.962 1.00 36.64 ? 139 CYS A CA 1 ATOM 1069 C C . CYS A 1 136 ? 4.740 -19.377 -54.410 1.00 36.68 ? 139 CYS A C 1 ATOM 1070 O O . CYS A 1 136 ? 4.420 -18.190 -54.402 1.00 36.66 ? 139 CYS A O 1 ATOM 1071 C CB . CYS A 1 136 ? 7.044 -18.560 -54.108 1.00 36.12 ? 139 CYS A CB 1 ATOM 1072 S SG . CYS A 1 136 ? 8.751 -18.881 -54.443 1.00 40.19 ? 139 CYS A SG 1 ATOM 1073 N N . ALA A 1 137 ? 3.920 -20.351 -54.794 1.00 36.72 ? 140 ALA A N 1 ATOM 1074 C CA . ALA A 1 137 ? 2.580 -20.101 -55.334 1.00 37.20 ? 140 ALA A CA 1 ATOM 1075 C C . ALA A 1 137 ? 1.671 -19.372 -54.360 1.00 37.42 ? 140 ALA A C 1 ATOM 1076 O O . ALA A 1 137 ? 1.714 -19.625 -53.163 1.00 38.17 ? 140 ALA A O 1 ATOM 1077 C CB . ALA A 1 137 ? 1.923 -21.408 -55.784 1.00 36.33 ? 140 ALA A CB 1 ATOM 1078 N N . VAL A 1 138 ? 0.858 -18.459 -54.888 1.00 37.70 ? 141 VAL A N 1 ATOM 1079 C CA . VAL A 1 138 ? -0.151 -17.732 -54.103 1.00 37.67 ? 141 VAL A CA 1 ATOM 1080 C C . VAL A 1 138 ? -1.465 -17.834 -54.855 1.00 37.33 ? 141 VAL A C 1 ATOM 1081 O O . VAL A 1 138 ? -1.540 -17.460 -56.023 1.00 37.91 ? 141 VAL A O 1 ATOM 1082 C CB . VAL A 1 138 ? 0.234 -16.233 -53.905 1.00 38.22 ? 141 VAL A CB 1 ATOM 1083 C CG1 . VAL A 1 138 ? -0.843 -15.474 -53.113 1.00 38.49 ? 141 VAL A CG1 1 ATOM 1084 C CG2 . VAL A 1 138 ? 1.580 -16.126 -53.202 1.00 37.62 ? 141 VAL A CG2 1 ATOM 1085 N N . SER A 1 139 ? -2.490 -18.364 -54.196 1.00 36.96 ? 142 SER A N 1 ATOM 1086 C CA . SER A 1 139 ? -3.790 -18.575 -54.830 1.00 36.63 ? 142 SER A CA 1 ATOM 1087 C C . SER A 1 139 ? -3.668 -19.375 -56.140 1.00 36.90 ? 142 SER A C 1 ATOM 1088 O O . SER A 1 139 ? -4.211 -18.983 -57.188 1.00 36.07 ? 142 SER A O 1 ATOM 1089 C CB . SER A 1 139 ? -4.499 -17.238 -55.035 1.00 36.42 ? 142 SER A CB 1 ATOM 1090 O OG . SER A 1 139 ? -4.545 -16.526 -53.807 1.00 35.04 ? 142 SER A OG 1 ATOM 1091 N N . GLY A 1 140 ? -2.920 -20.484 -56.057 1.00 36.85 ? 143 GLY A N 1 ATOM 1092 C CA . GLY A 1 140 ? -2.701 -21.391 -57.186 1.00 37.38 ? 143 GLY A CA 1 ATOM 1093 C C . GLY A 1 140 ? -1.895 -20.849 -58.352 1.00 37.44 ? 143 GLY A C 1 ATOM 1094 O O . GLY A 1 140 ? -1.853 -21.469 -59.418 1.00 38.39 ? 143 GLY A O 1 ATOM 1095 N N . ASN A 1 141 ? -1.264 -19.693 -58.173 1.00 36.99 ? 144 ASN A N 1 ATOM 1096 C CA . ASN A 1 141 ? -0.452 -19.096 -59.232 1.00 36.67 ? 144 ASN A CA 1 ATOM 1097 C C . ASN A 1 141 ? 0.996 -18.872 -58.818 1.00 36.02 ? 144 ASN A C 1 ATOM 1098 O O . ASN A 1 141 ? 1.255 -18.568 -57.649 1.00 36.08 ? 144 ASN A O 1 ATOM 1099 C CB . ASN A 1 141 ? -1.071 -17.776 -59.701 1.00 37.63 ? 144 ASN A CB 1 ATOM 1100 C CG . ASN A 1 141 ? -2.352 -17.996 -60.511 1.00 39.11 ? 144 ASN A CG 1 ATOM 1101 O OD1 . ASN A 1 141 ? -2.325 -18.579 -61.603 1.00 42.20 ? 144 ASN A OD1 1 ATOM 1102 N ND2 . ASN A 1 141 ? -3.472 -17.543 -59.975 1.00 39.83 ? 144 ASN A ND2 1 ATOM 1103 N N . PRO A 1 142 ? 1.939 -19.042 -59.767 1.00 35.08 ? 145 PRO A N 1 ATOM 1104 C CA . PRO A 1 142 ? 3.341 -18.695 -59.556 1.00 34.08 ? 145 PRO A CA 1 ATOM 1105 C C . PRO A 1 142 ? 3.512 -17.324 -58.905 1.00 33.46 ? 145 PRO A C 1 ATOM 1106 O O . PRO A 1 142 ? 2.963 -16.318 -59.370 1.00 33.45 ? 145 PRO A O 1 ATOM 1107 C CB . PRO A 1 142 ? 3.915 -18.676 -60.970 1.00 34.34 ? 145 PRO A CB 1 ATOM 1108 C CG . PRO A 1 142 ? 3.051 -19.619 -61.748 1.00 35.16 ? 145 PRO A CG 1 ATOM 1109 C CD . PRO A 1 142 ? 1.707 -19.638 -61.100 1.00 34.92 ? 145 PRO A CD 1 ATOM 1110 N N . SER A 1 143 ? 4.257 -17.288 -57.814 1.00 32.04 ? 146 SER A N 1 ATOM 1111 C CA . SER A 1 143 ? 4.597 -16.011 -57.203 1.00 31.59 ? 146 SER A CA 1 ATOM 1112 C C . SER A 1 143 ? 6.077 -16.031 -56.783 1.00 30.29 ? 146 SER A C 1 ATOM 1113 O O . SER A 1 143 ? 6.838 -16.862 -57.277 1.00 29.20 ? 146 SER A O 1 ATOM 1114 C CB . SER A 1 143 ? 3.656 -15.738 -56.029 1.00 31.34 ? 146 SER A CB 1 ATOM 1115 O OG . SER A 1 143 ? 3.751 -14.403 -55.610 1.00 34.44 ? 146 SER A OG 1 ATOM 1116 N N . PHE A 1 144 ? 6.468 -15.140 -55.866 1.00 29.14 ? 147 PHE A N 1 ATOM 1117 C CA . PHE A 1 144 ? 7.856 -15.010 -55.466 1.00 29.19 ? 147 PHE A CA 1 ATOM 1118 C C . PHE A 1 144 ? 7.989 -14.245 -54.146 1.00 29.11 ? 147 PHE A C 1 ATOM 1119 O O . PHE A 1 144 ? 7.073 -13.535 -53.731 1.00 28.34 ? 147 PHE A O 1 ATOM 1120 C CB . PHE A 1 144 ? 8.689 -14.313 -56.574 1.00 28.62 ? 147 PHE A CB 1 ATOM 1121 C CG . PHE A 1 144 ? 10.192 -14.601 -56.491 1.00 29.20 ? 147 PHE A CG 1 ATOM 1122 C CD1 . PHE A 1 144 ? 10.664 -15.921 -56.437 1.00 25.41 ? 147 PHE A CD1 1 ATOM 1123 C CD2 . PHE A 1 144 ? 11.114 -13.553 -56.483 1.00 25.64 ? 147 PHE A CD2 1 ATOM 1124 C CE1 . PHE A 1 144 ? 12.028 -16.190 -56.355 1.00 28.14 ? 147 PHE A CE1 1 ATOM 1125 C CE2 . PHE A 1 144 ? 12.494 -13.805 -56.417 1.00 27.76 ? 147 PHE A CE2 1 ATOM 1126 C CZ . PHE A 1 144 ? 12.956 -15.133 -56.344 1.00 28.74 ? 147 PHE A CZ 1 ATOM 1127 N N . PHE A 1 145 ? 9.127 -14.439 -53.480 1.00 29.04 ? 148 PHE A N 1 ATOM 1128 C CA . PHE A 1 145 ? 9.551 -13.605 -52.346 1.00 28.96 ? 148 PHE A CA 1 ATOM 1129 C C . PHE A 1 145 ? 9.176 -12.114 -52.574 1.00 28.82 ? 148 PHE A C 1 ATOM 1130 O O . PHE A 1 145 ? 9.513 -11.526 -53.605 1.00 28.63 ? 148 PHE A O 1 ATOM 1131 C CB . PHE A 1 145 ? 11.064 -13.738 -52.175 1.00 29.10 ? 148 PHE A CB 1 ATOM 1132 C CG . PHE A 1 145 ? 11.526 -15.130 -51.820 1.00 28.66 ? 148 PHE A CG 1 ATOM 1133 C CD1 . PHE A 1 145 ? 11.224 -15.688 -50.565 1.00 26.94 ? 148 PHE A CD1 1 ATOM 1134 C CD2 . PHE A 1 145 ? 12.299 -15.867 -52.719 1.00 29.00 ? 148 PHE A CD2 1 ATOM 1135 C CE1 . PHE A 1 145 ? 11.697 -16.965 -50.199 1.00 28.34 ? 148 PHE A CE1 1 ATOM 1136 C CE2 . PHE A 1 145 ? 12.763 -17.147 -52.391 1.00 28.52 ? 148 PHE A CE2 1 ATOM 1137 C CZ . PHE A 1 145 ? 12.457 -17.704 -51.117 1.00 28.92 ? 148 PHE A CZ 1 ATOM 1138 N N . ARG A 1 146 ? 8.469 -11.510 -51.629 1.00 28.92 ? 149 ARG A N 1 ATOM 1139 C CA . ARG A 1 146 ? 8.002 -10.101 -51.794 1.00 29.56 ? 149 ARG A CA 1 ATOM 1140 C C . ARG A 1 146 ? 9.109 -9.047 -51.843 1.00 28.89 ? 149 ARG A C 1 ATOM 1141 O O . ARG A 1 146 ? 8.932 -7.986 -52.454 1.00 28.67 ? 149 ARG A O 1 ATOM 1142 C CB . ARG A 1 146 ? 7.011 -9.719 -50.683 1.00 29.61 ? 149 ARG A CB 1 ATOM 1143 C CG . ARG A 1 146 ? 5.519 -9.965 -51.010 1.00 32.39 ? 149 ARG A CG 1 ATOM 1144 C CD . ARG A 1 146 ? 5.171 -11.400 -51.265 1.00 34.65 ? 149 ARG A CD 1 ATOM 1145 N NE . ARG A 1 146 ? 3.740 -11.636 -51.065 1.00 36.97 ? 149 ARG A NE 1 ATOM 1146 C CZ . ARG A 1 146 ? 2.847 -11.806 -52.045 1.00 39.87 ? 149 ARG A CZ 1 ATOM 1147 N NH1 . ARG A 1 146 ? 3.214 -11.777 -53.317 1.00 39.37 ? 149 ARG A NH1 1 ATOM 1148 N NH2 . ARG A 1 146 ? 1.573 -12.018 -51.747 1.00 40.10 ? 149 ARG A NH2 1 ATOM 1149 N N . ASN A 1 147 ? 10.234 -9.331 -51.190 1.00 28.17 ? 150 ASN A N 1 ATOM 1150 C CA . ASN A 1 147 ? 11.302 -8.338 -51.058 1.00 28.20 ? 150 ASN A CA 1 ATOM 1151 C C . ASN A 1 147 ? 12.319 -8.483 -52.157 1.00 27.93 ? 150 ASN A C 1 ATOM 1152 O O . ASN A 1 147 ? 13.244 -7.683 -52.261 1.00 28.80 ? 150 ASN A O 1 ATOM 1153 C CB . ASN A 1 147 ? 11.930 -8.389 -49.642 1.00 27.12 ? 150 ASN A CB 1 ATOM 1154 C CG . ASN A 1 147 ? 10.891 -8.139 -48.556 1.00 27.22 ? 150 ASN A CG 1 ATOM 1155 O OD1 . ASN A 1 147 ? 9.894 -7.462 -48.812 1.00 29.22 ? 150 ASN A OD1 1 ATOM 1156 N ND2 . ASN A 1 147 ? 11.090 -8.700 -47.362 1.00 23.88 ? 150 ASN A ND2 1 ATOM 1157 N N . MET A 1 148 ? 12.130 -9.497 -52.996 1.00 28.33 ? 151 MET A N 1 ATOM 1158 C CA . MET A 1 148 ? 13.110 -9.820 -54.022 1.00 28.73 ? 151 MET A CA 1 ATOM 1159 C C . MET A 1 148 ? 12.562 -9.689 -55.428 1.00 29.24 ? 151 MET A C 1 ATOM 1160 O O . MET A 1 148 ? 11.346 -9.747 -55.651 1.00 29.04 ? 151 MET A O 1 ATOM 1161 C CB . MET A 1 148 ? 13.704 -11.222 -53.804 1.00 28.25 ? 151 MET A CB 1 ATOM 1162 C CG . MET A 1 148 ? 14.045 -11.518 -52.323 1.00 29.25 ? 151 MET A CG 1 ATOM 1163 S SD . MET A 1 148 ? 15.355 -10.427 -51.688 1.00 31.67 ? 151 MET A SD 1 ATOM 1164 C CE . MET A 1 148 ? 16.733 -10.987 -52.677 1.00 22.21 ? 151 MET A CE 1 ATOM 1165 N N . VAL A 1 149 ? 13.486 -9.520 -56.375 1.00 29.47 ? 152 VAL A N 1 ATOM 1166 C CA . VAL A 1 149 ? 13.143 -9.398 -57.768 1.00 29.94 ? 152 VAL A CA 1 ATOM 1167 C C . VAL A 1 149 ? 13.873 -10.474 -58.569 1.00 30.25 ? 152 VAL A C 1 ATOM 1168 O O . VAL A 1 149 ? 15.099 -10.578 -58.521 1.00 29.71 ? 152 VAL A O 1 ATOM 1169 C CB . VAL A 1 149 ? 13.462 -7.979 -58.318 1.00 30.25 ? 152 VAL A CB 1 ATOM 1170 C CG1 . VAL A 1 149 ? 12.935 -7.842 -59.739 1.00 31.04 ? 152 VAL A CG1 1 ATOM 1171 C CG2 . VAL A 1 149 ? 12.822 -6.891 -57.442 1.00 30.28 ? 152 VAL A CG2 1 ATOM 1172 N N . TRP A 1 150 ? 13.105 -11.258 -59.315 1.00 30.68 ? 153 TRP A N 1 ATOM 1173 C CA . TRP A 1 150 ? 13.652 -12.289 -60.187 1.00 32.13 ? 153 TRP A CA 1 ATOM 1174 C C . TRP A 1 150 ? 13.821 -11.674 -61.584 1.00 32.85 ? 153 TRP A C 1 ATOM 1175 O O . TRP A 1 150 ? 12.832 -11.489 -62.304 1.00 32.92 ? 153 TRP A O 1 ATOM 1176 C CB . TRP A 1 150 ? 12.698 -13.500 -60.242 1.00 31.41 ? 153 TRP A CB 1 ATOM 1177 C CG . TRP A 1 150 ? 13.341 -14.778 -60.737 1.00 32.49 ? 153 TRP A CG 1 ATOM 1178 C CD1 . TRP A 1 150 ? 14.480 -14.899 -61.507 1.00 31.89 ? 153 TRP A CD1 1 ATOM 1179 C CD2 . TRP A 1 150 ? 12.857 -16.119 -60.523 1.00 30.68 ? 153 TRP A CD2 1 ATOM 1180 N NE1 . TRP A 1 150 ? 14.736 -16.236 -61.758 1.00 32.38 ? 153 TRP A NE1 1 ATOM 1181 C CE2 . TRP A 1 150 ? 13.761 -17.001 -61.165 1.00 31.27 ? 153 TRP A CE2 1 ATOM 1182 C CE3 . TRP A 1 150 ? 11.746 -16.657 -59.840 1.00 32.75 ? 153 TRP A CE3 1 ATOM 1183 C CZ2 . TRP A 1 150 ? 13.596 -18.392 -61.149 1.00 29.95 ? 153 TRP A CZ2 1 ATOM 1184 C CZ3 . TRP A 1 150 ? 11.577 -18.053 -59.811 1.00 31.89 ? 153 TRP A CZ3 1 ATOM 1185 C CH2 . TRP A 1 150 ? 12.507 -18.904 -60.465 1.00 31.99 ? 153 TRP A CH2 1 ATOM 1186 N N . LEU A 1 151 ? 15.058 -11.338 -61.958 1.00 33.24 ? 154 LEU A N 1 ATOM 1187 C CA . LEU A 1 151 ? 15.307 -10.736 -63.265 1.00 34.68 ? 154 LEU A CA 1 ATOM 1188 C C . LEU A 1 151 ? 15.377 -11.848 -64.298 1.00 35.39 ? 154 LEU A C 1 ATOM 1189 O O . LEU A 1 151 ? 16.122 -12.825 -64.132 1.00 35.35 ? 154 LEU A O 1 ATOM 1190 C CB . LEU A 1 151 ? 16.604 -9.908 -63.280 1.00 34.50 ? 154 LEU A CB 1 ATOM 1191 C CG . LEU A 1 151 ? 16.588 -8.457 -62.799 1.00 36.31 ? 154 LEU A CG 1 ATOM 1192 C CD1 . LEU A 1 151 ? 16.094 -8.345 -61.388 1.00 38.61 ? 154 LEU A CD1 1 ATOM 1193 C CD2 . LEU A 1 151 ? 17.991 -7.874 -62.867 1.00 35.38 ? 154 LEU A CD2 1 ATOM 1194 N N . THR A 1 152 ? 14.592 -11.716 -65.358 1.00 36.62 ? 155 THR A N 1 ATOM 1195 C CA . THR A 1 152 ? 14.661 -12.691 -66.441 1.00 38.42 ? 155 THR A CA 1 ATOM 1196 C C . THR A 1 152 ? 14.745 -11.966 -67.791 1.00 40.23 ? 155 THR A C 1 ATOM 1197 O O . THR A 1 152 ? 14.611 -10.746 -67.861 1.00 40.48 ? 155 THR A O 1 ATOM 1198 C CB . THR A 1 152 ? 13.474 -13.715 -66.396 1.00 38.08 ? 155 THR A CB 1 ATOM 1199 O OG1 . THR A 1 152 ? 12.225 -13.029 -66.507 1.00 38.07 ? 155 THR A OG1 1 ATOM 1200 C CG2 . THR A 1 152 ? 13.482 -14.537 -65.105 1.00 36.97 ? 155 THR A CG2 1 ATOM 1201 N N . GLU A 1 153 ? 15.016 -12.743 -68.838 1.00 42.70 ? 156 GLU A N 1 ATOM 1202 C CA . GLU A 1 153 ? 15.042 -12.320 -70.234 1.00 44.73 ? 156 GLU A CA 1 ATOM 1203 C C . GLU A 1 153 ? 13.836 -11.461 -70.630 1.00 45.61 ? 156 GLU A C 1 ATOM 1204 O O . GLU A 1 153 ? 12.711 -11.733 -70.207 1.00 45.69 ? 156 GLU A O 1 ATOM 1205 C CB . GLU A 1 153 ? 15.103 -13.600 -71.091 1.00 45.63 ? 156 GLU A CB 1 ATOM 1206 C CG . GLU A 1 153 ? 14.577 -13.501 -72.525 1.00 48.33 ? 156 GLU A CG 1 ATOM 1207 C CD . GLU A 1 153 ? 13.080 -13.710 -72.655 1.00 51.42 ? 156 GLU A CD 1 ATOM 1208 O OE1 . GLU A 1 153 ? 12.567 -14.762 -72.209 1.00 53.11 ? 156 GLU A OE1 1 ATOM 1209 O OE2 . GLU A 1 153 ? 12.415 -12.822 -73.236 1.00 53.82 ? 156 GLU A OE2 1 ATOM 1210 N N . LYS A 1 154 ? 14.073 -10.434 -71.447 1.00 46.84 ? 157 LYS A N 1 ATOM 1211 C CA . LYS A 1 154 ? 12.988 -9.660 -72.068 1.00 48.06 ? 157 LYS A CA 1 ATOM 1212 C C . LYS A 1 154 ? 13.242 -9.471 -73.575 1.00 48.80 ? 157 LYS A C 1 ATOM 1213 O O . LYS A 1 154 ? 14.299 -8.969 -73.976 1.00 48.72 ? 157 LYS A O 1 ATOM 1214 C CB . LYS A 1 154 ? 12.824 -8.309 -71.380 1.00 48.06 ? 157 LYS A CB 1 ATOM 1215 C CG . LYS A 1 154 ? 11.571 -7.549 -71.790 1.00 49.65 ? 157 LYS A CG 1 ATOM 1216 C CD . LYS A 1 154 ? 11.603 -6.149 -71.214 1.00 51.95 ? 157 LYS A CD 1 ATOM 1217 C CE . LYS A 1 154 ? 10.300 -5.411 -71.442 1.00 53.56 ? 157 LYS A CE 1 ATOM 1218 N NZ . LYS A 1 154 ? 10.514 -3.951 -71.248 1.00 54.35 ? 157 LYS A NZ 1 ATOM 1219 N N . GLY A 1 155 ? 12.272 -9.883 -74.396 1.00 49.49 ? 158 GLY A N 1 ATOM 1220 C CA . GLY A 1 155 ? 12.413 -9.866 -75.863 1.00 50.05 ? 158 GLY A CA 1 ATOM 1221 C C . GLY A 1 155 ? 13.535 -10.776 -76.340 1.00 50.34 ? 158 GLY A C 1 ATOM 1222 O O . GLY A 1 155 ? 14.262 -10.441 -77.285 1.00 50.59 ? 158 GLY A O 1 ATOM 1223 N N . SER A 1 156 ? 13.673 -11.923 -75.666 1.00 50.41 ? 159 SER A N 1 ATOM 1224 C CA . SER A 1 156 ? 14.766 -12.893 -75.876 1.00 50.09 ? 159 SER A CA 1 ATOM 1225 C C . SER A 1 156 ? 16.139 -12.266 -75.654 1.00 49.99 ? 159 SER A C 1 ATOM 1226 O O . SER A 1 156 ? 17.160 -12.726 -76.185 1.00 50.49 ? 159 SER A O 1 ATOM 1227 C CB . SER A 1 156 ? 14.648 -13.589 -77.234 1.00 50.62 ? 159 SER A CB 1 ATOM 1228 O OG . SER A 1 156 ? 13.415 -14.290 -77.321 1.00 50.78 ? 159 SER A OG 1 ATOM 1229 N N . ASN A 1 157 ? 16.151 -11.220 -74.831 1.00 49.21 ? 160 ASN A N 1 ATOM 1230 C CA . ASN A 1 157 ? 17.382 -10.571 -74.419 1.00 48.38 ? 160 ASN A CA 1 ATOM 1231 C C . ASN A 1 157 ? 17.558 -10.411 -72.910 1.00 46.84 ? 160 ASN A C 1 ATOM 1232 O O . ASN A 1 157 ? 16.610 -10.098 -72.187 1.00 47.07 ? 160 ASN A O 1 ATOM 1233 C CB . ASN A 1 157 ? 17.528 -9.211 -75.098 1.00 48.94 ? 160 ASN A CB 1 ATOM 1234 C CG . ASN A 1 157 ? 18.732 -9.158 -75.993 1.00 51.34 ? 160 ASN A CG 1 ATOM 1235 O OD1 . ASN A 1 157 ? 18.710 -9.670 -77.118 1.00 53.30 ? 160 ASN A OD1 1 ATOM 1236 N ND2 . ASN A 1 157 ? 19.812 -8.550 -75.494 1.00 54.27 ? 160 ASN A ND2 1 ATOM 1237 N N . TYR A 1 158 ? 18.786 -10.636 -72.453 1.00 44.68 ? 161 TYR A N 1 ATOM 1238 C CA . TYR A 1 158 ? 19.178 -10.264 -71.104 1.00 43.23 ? 161 TYR A CA 1 ATOM 1239 C C . TYR A 1 158 ? 20.473 -9.466 -71.220 1.00 42.97 ? 161 TYR A C 1 ATOM 1240 O O . TYR A 1 158 ? 21.558 -10.039 -71.195 1.00 43.17 ? 161 TYR A O 1 ATOM 1241 C CB . TYR A 1 158 ? 19.337 -11.509 -70.219 1.00 41.82 ? 161 TYR A CB 1 ATOM 1242 C CG . TYR A 1 158 ? 19.465 -11.281 -68.716 1.00 39.61 ? 161 TYR A CG 1 ATOM 1243 C CD1 . TYR A 1 158 ? 18.565 -11.871 -67.830 1.00 37.46 ? 161 TYR A CD1 1 ATOM 1244 C CD2 . TYR A 1 158 ? 20.502 -10.516 -68.179 1.00 38.73 ? 161 TYR A CD2 1 ATOM 1245 C CE1 . TYR A 1 158 ? 18.684 -11.698 -66.461 1.00 37.21 ? 161 TYR A CE1 1 ATOM 1246 C CE2 . TYR A 1 158 ? 20.624 -10.325 -66.802 1.00 37.37 ? 161 TYR A CE2 1 ATOM 1247 C CZ . TYR A 1 158 ? 19.714 -10.930 -65.950 1.00 37.93 ? 161 TYR A CZ 1 ATOM 1248 O OH . TYR A 1 158 ? 19.831 -10.770 -64.587 1.00 38.13 ? 161 TYR A OH 1 ATOM 1249 N N . PRO A 1 159 ? 20.356 -8.132 -71.379 1.00 42.96 ? 162 PRO A N 1 ATOM 1250 C CA . PRO A 1 159 ? 21.535 -7.265 -71.321 1.00 43.32 ? 162 PRO A CA 1 ATOM 1251 C C . PRO A 1 159 ? 22.115 -7.204 -69.913 1.00 43.66 ? 162 PRO A C 1 ATOM 1252 O O . PRO A 1 159 ? 21.454 -7.607 -68.930 1.00 44.03 ? 162 PRO A O 1 ATOM 1253 C CB . PRO A 1 159 ? 21.007 -5.892 -71.754 1.00 43.63 ? 162 PRO A CB 1 ATOM 1254 C CG . PRO A 1 159 ? 19.534 -5.960 -71.592 1.00 43.28 ? 162 PRO A CG 1 ATOM 1255 C CD . PRO A 1 159 ? 19.112 -7.388 -71.633 1.00 42.63 ? 162 PRO A CD 1 ATOM 1256 N N . VAL A 1 160 ? 23.355 -6.742 -69.819 1.00 43.05 ? 163 VAL A N 1 ATOM 1257 C CA . VAL A 1 160 ? 24.012 -6.596 -68.529 1.00 43.38 ? 163 VAL A CA 1 ATOM 1258 C C . VAL A 1 160 ? 23.068 -5.843 -67.574 1.00 42.52 ? 163 VAL A C 1 ATOM 1259 O O . VAL A 1 160 ? 22.502 -4.808 -67.931 1.00 42.58 ? 163 VAL A O 1 ATOM 1260 C CB . VAL A 1 160 ? 25.409 -5.928 -68.660 1.00 43.11 ? 163 VAL A CB 1 ATOM 1261 C CG1 . VAL A 1 160 ? 26.150 -5.967 -67.339 1.00 43.85 ? 163 VAL A CG1 1 ATOM 1262 C CG2 . VAL A 1 160 ? 26.238 -6.642 -69.747 1.00 44.45 ? 163 VAL A CG2 1 ATOM 1263 N N . ALA A 1 161 ? 22.857 -6.424 -66.396 1.00 41.77 ? 164 ALA A N 1 ATOM 1264 C CA . ALA A 1 161 ? 21.942 -5.875 -65.399 1.00 40.74 ? 164 ALA A CA 1 ATOM 1265 C C . ALA A 1 161 ? 22.782 -5.184 -64.344 1.00 40.35 ? 164 ALA A C 1 ATOM 1266 O O . ALA A 1 161 ? 23.619 -5.819 -63.691 1.00 39.65 ? 164 ALA A O 1 ATOM 1267 C CB . ALA A 1 161 ? 21.095 -6.991 -64.784 1.00 40.37 ? 164 ALA A CB 1 ATOM 1268 N N . LYS A 1 162 ? 22.569 -3.877 -64.208 1.00 40.07 ? 165 LYS A N 1 ATOM 1269 C CA . LYS A 1 162 ? 23.327 -3.043 -63.279 1.00 40.08 ? 165 LYS A CA 1 ATOM 1270 C C . LYS A 1 162 ? 22.388 -2.207 -62.412 1.00 39.01 ? 165 LYS A C 1 ATOM 1271 O O . LYS A 1 162 ? 21.494 -1.552 -62.932 1.00 38.50 ? 165 LYS A O 1 ATOM 1272 C CB . LYS A 1 162 ? 24.294 -2.128 -64.050 1.00 40.82 ? 165 LYS A CB 1 ATOM 1273 C CG . LYS A 1 162 ? 25.515 -2.854 -64.613 1.00 43.01 ? 165 LYS A CG 1 ATOM 1274 C CD . LYS A 1 162 ? 26.524 -1.857 -65.157 1.00 48.42 ? 165 LYS A CD 1 ATOM 1275 C CE . LYS A 1 162 ? 27.951 -2.137 -64.638 1.00 48.86 ? 165 LYS A CE 1 ATOM 1276 N NZ . LYS A 1 162 ? 28.955 -1.279 -65.375 1.00 50.83 ? 165 LYS A NZ 1 ATOM 1277 N N . GLY A 1 163 ? 22.589 -2.269 -61.096 1.00 38.10 ? 166 GLY A N 1 ATOM 1278 C CA . GLY A 1 163 ? 21.841 -1.465 -60.127 1.00 37.28 ? 166 GLY A CA 1 ATOM 1279 C C . GLY A 1 163 ? 22.789 -0.997 -59.039 1.00 37.05 ? 166 GLY A C 1 ATOM 1280 O O . GLY A 1 163 ? 23.753 -1.682 -58.713 1.00 37.00 ? 166 GLY A O 1 ATOM 1281 N N . SER A 1 164 ? 22.515 0.176 -58.485 1.00 36.08 ? 167 SER A N 1 ATOM 1282 C CA . SER A 1 164 ? 23.396 0.785 -57.520 1.00 36.36 ? 167 SER A CA 1 ATOM 1283 C C . SER A 1 164 ? 22.585 1.523 -56.450 1.00 35.12 ? 167 SER A C 1 ATOM 1284 O O . SER A 1 164 ? 21.584 2.146 -56.770 1.00 35.01 ? 167 SER A O 1 ATOM 1285 C CB . SER A 1 164 ? 24.346 1.752 -58.244 1.00 36.33 ? 167 SER A CB 1 ATOM 1286 O OG . SER A 1 164 ? 25.347 2.206 -57.367 1.00 39.29 ? 167 SER A OG 1 ATOM 1287 N N . TYR A 1 165 ? 23.001 1.418 -55.189 1.00 33.60 ? 168 TYR A N 1 ATOM 1288 C CA . TYR A 1 165 ? 22.361 2.163 -54.099 1.00 32.22 ? 168 TYR A CA 1 ATOM 1289 C C . TYR A 1 165 ? 23.381 2.730 -53.118 1.00 32.19 ? 168 TYR A C 1 ATOM 1290 O O . TYR A 1 165 ? 24.226 2.009 -52.565 1.00 31.76 ? 168 TYR A O 1 ATOM 1291 C CB . TYR A 1 165 ? 21.280 1.323 -53.361 1.00 31.64 ? 168 TYR A CB 1 ATOM 1292 C CG . TYR A 1 165 ? 20.724 2.022 -52.130 1.00 30.23 ? 168 TYR A CG 1 ATOM 1293 C CD1 . TYR A 1 165 ? 19.846 3.115 -52.247 1.00 29.11 ? 168 TYR A CD1 1 ATOM 1294 C CD2 . TYR A 1 165 ? 21.090 1.608 -50.845 1.00 29.17 ? 168 TYR A CD2 1 ATOM 1295 C CE1 . TYR A 1 165 ? 19.354 3.772 -51.096 1.00 28.62 ? 168 TYR A CE1 1 ATOM 1296 C CE2 . TYR A 1 165 ? 20.625 2.260 -49.703 1.00 26.77 ? 168 TYR A CE2 1 ATOM 1297 C CZ . TYR A 1 165 ? 19.761 3.328 -49.828 1.00 29.98 ? 168 TYR A CZ 1 ATOM 1298 O OH . TYR A 1 165 ? 19.310 3.960 -48.686 1.00 30.33 ? 168 TYR A OH 1 ATOM 1299 N N . ASN A 1 166 ? 23.272 4.040 -52.902 1.00 32.25 ? 169 ASN A N 1 ATOM 1300 C CA . ASN A 1 166 ? 24.053 4.753 -51.916 1.00 32.34 ? 169 ASN A CA 1 ATOM 1301 C C . ASN A 1 166 ? 23.292 4.825 -50.582 1.00 31.74 ? 169 ASN A C 1 ATOM 1302 O O . ASN A 1 166 ? 22.235 5.441 -50.511 1.00 31.92 ? 169 ASN A O 1 ATOM 1303 C CB . ASN A 1 166 ? 24.348 6.167 -52.455 1.00 32.56 ? 169 ASN A CB 1 ATOM 1304 C CG . ASN A 1 166 ? 25.375 6.912 -51.641 1.00 34.22 ? 169 ASN A CG 1 ATOM 1305 O OD1 . ASN A 1 166 ? 25.562 6.644 -50.450 1.00 33.73 ? 169 ASN A OD1 1 ATOM 1306 N ND2 . ASN A 1 166 ? 26.046 7.883 -52.285 1.00 39.98 ? 169 ASN A ND2 1 ATOM 1307 N N . ASN A 1 167 ? 23.830 4.220 -49.527 1.00 31.39 ? 170 ASN A N 1 ATOM 1308 C CA . ASN A 1 167 ? 23.175 4.283 -48.227 1.00 31.34 ? 170 ASN A CA 1 ATOM 1309 C C . ASN A 1 167 ? 23.165 5.671 -47.590 1.00 31.93 ? 170 ASN A C 1 ATOM 1310 O O . ASN A 1 167 ? 24.051 6.047 -46.808 1.00 31.61 ? 170 ASN A O 1 ATOM 1311 C CB . ASN A 1 167 ? 23.716 3.232 -47.256 1.00 31.08 ? 170 ASN A CB 1 ATOM 1312 C CG . ASN A 1 167 ? 22.928 3.184 -45.965 1.00 30.74 ? 170 ASN A CG 1 ATOM 1313 O OD1 . ASN A 1 167 ? 21.864 3.813 -45.844 1.00 29.41 ? 170 ASN A OD1 1 ATOM 1314 N ND2 . ASN A 1 167 ? 23.430 2.440 -44.997 1.00 25.49 ? 170 ASN A ND2 1 ATOM 1315 N N . THR A 1 168 ? 22.126 6.425 -47.919 1.00 32.16 ? 171 THR A N 1 ATOM 1316 C CA . THR A 1 168 ? 21.966 7.768 -47.385 1.00 32.84 ? 171 THR A CA 1 ATOM 1317 C C . THR A 1 168 ? 20.902 7.763 -46.279 1.00 32.97 ? 171 THR A C 1 ATOM 1318 O O . THR A 1 168 ? 20.468 8.816 -45.837 1.00 31.64 ? 171 THR A O 1 ATOM 1319 C CB . THR A 1 168 ? 21.593 8.766 -48.509 1.00 32.50 ? 171 THR A CB 1 ATOM 1320 O OG1 . THR A 1 168 ? 20.403 8.308 -49.148 1.00 33.08 ? 171 THR A OG1 1 ATOM 1321 C CG2 . THR A 1 168 ? 22.711 8.859 -49.570 1.00 32.64 ? 171 THR A CG2 1 ATOM 1322 N N . SER A 1 169 ? 20.514 6.567 -45.827 1.00 33.19 ? 172 SER A N 1 ATOM 1323 C CA . SER A 1 169 ? 19.402 6.403 -44.873 1.00 33.92 ? 172 SER A CA 1 ATOM 1324 C C . SER A 1 169 ? 19.686 6.926 -43.456 1.00 34.32 ? 172 SER A C 1 ATOM 1325 O O . SER A 1 169 ? 18.758 7.179 -42.684 1.00 35.20 ? 172 SER A O 1 ATOM 1326 C CB . SER A 1 169 ? 18.957 4.921 -44.807 1.00 33.61 ? 172 SER A CB 1 ATOM 1327 O OG . SER A 1 169 ? 19.821 4.183 -43.966 1.00 33.53 ? 172 SER A OG 1 ATOM 1328 N N . GLY A 1 170 ? 20.958 7.085 -43.108 1.00 34.35 ? 173 GLY A N 1 ATOM 1329 C CA . GLY A 1 170 ? 21.321 7.514 -41.766 1.00 33.77 ? 173 GLY A CA 1 ATOM 1330 C C . GLY A 1 170 ? 21.725 6.383 -40.825 1.00 33.54 ? 173 GLY A C 1 ATOM 1331 O O . GLY A 1 170 ? 22.178 6.644 -39.723 1.00 32.60 ? 173 GLY A O 1 ATOM 1332 N N . GLU A 1 171 ? 21.559 5.132 -41.249 1.00 33.17 ? 174 GLU A N 1 ATOM 1333 C CA . GLU A 1 171 ? 22.001 3.994 -40.441 1.00 33.88 ? 174 GLU A CA 1 ATOM 1334 C C . GLU A 1 171 ? 22.542 2.852 -41.282 1.00 33.08 ? 174 GLU A C 1 ATOM 1335 O O . GLU A 1 171 ? 22.427 2.854 -42.503 1.00 33.61 ? 174 GLU A O 1 ATOM 1336 C CB . GLU A 1 171 ? 20.890 3.496 -39.501 1.00 34.35 ? 174 GLU A CB 1 ATOM 1337 C CG . GLU A 1 171 ? 21.051 3.918 -38.026 1.00 39.79 ? 174 GLU A CG 1 ATOM 1338 C CD . GLU A 1 171 ? 22.066 3.049 -37.233 1.00 46.92 ? 174 GLU A CD 1 ATOM 1339 O OE1 . GLU A 1 171 ? 22.848 2.279 -37.856 1.00 48.75 ? 174 GLU A OE1 1 ATOM 1340 O OE2 . GLU A 1 171 ? 22.085 3.140 -35.975 1.00 49.33 ? 174 GLU A OE2 1 ATOM 1341 N N . GLN A 1 172 ? 23.167 1.885 -40.631 1.00 32.49 ? 175 GLN A N 1 ATOM 1342 C CA . GLN A 1 172 ? 23.578 0.681 -41.334 1.00 32.35 ? 175 GLN A CA 1 ATOM 1343 C C . GLN A 1 172 ? 22.357 -0.012 -41.884 1.00 31.43 ? 175 GLN A C 1 ATOM 1344 O O . GLN A 1 172 ? 21.294 -0.029 -41.249 1.00 29.49 ? 175 GLN A O 1 ATOM 1345 C CB . GLN A 1 172 ? 24.301 -0.276 -40.413 1.00 32.43 ? 175 GLN A CB 1 ATOM 1346 C CG . GLN A 1 172 ? 25.619 0.275 -39.961 1.00 35.80 ? 175 GLN A CG 1 ATOM 1347 C CD . GLN A 1 172 ? 26.389 -0.732 -39.165 1.00 39.12 ? 175 GLN A CD 1 ATOM 1348 O OE1 . GLN A 1 172 ? 25.881 -1.296 -38.189 1.00 39.80 ? 175 GLN A OE1 1 ATOM 1349 N NE2 . GLN A 1 172 ? 27.633 -0.967 -39.571 1.00 40.82 ? 175 GLN A NE2 1 ATOM 1350 N N . MET A 1 173 ? 22.535 -0.611 -43.057 1.00 30.95 ? 176 MET A N 1 ATOM 1351 C CA . MET A 1 173 ? 21.428 -1.219 -43.746 1.00 31.45 ? 176 MET A CA 1 ATOM 1352 C C . MET A 1 173 ? 21.704 -2.651 -44.206 1.00 30.65 ? 176 MET A C 1 ATOM 1353 O O . MET A 1 173 ? 22.612 -2.904 -44.997 1.00 29.98 ? 176 MET A O 1 ATOM 1354 C CB . MET A 1 173 ? 21.024 -0.347 -44.927 1.00 30.10 ? 176 MET A CB 1 ATOM 1355 C CG . MET A 1 173 ? 19.737 -0.813 -45.567 1.00 31.45 ? 176 MET A CG 1 ATOM 1356 S SD . MET A 1 173 ? 19.496 0.018 -47.126 1.00 34.68 ? 176 MET A SD 1 ATOM 1357 C CE . MET A 1 173 ? 18.576 1.433 -46.497 1.00 32.18 ? 176 MET A CE 1 ATOM 1358 N N . LEU A 1 174 ? 20.876 -3.567 -43.707 1.00 30.72 ? 177 LEU A N 1 ATOM 1359 C CA . LEU A 1 174 ? 20.874 -4.950 -44.124 1.00 30.61 ? 177 LEU A CA 1 ATOM 1360 C C . LEU A 1 174 ? 20.318 -5.071 -45.552 1.00 30.28 ? 177 LEU A C 1 ATOM 1361 O O . LEU A 1 174 ? 19.208 -4.618 -45.838 1.00 31.40 ? 177 LEU A O 1 ATOM 1362 C CB . LEU A 1 174 ? 20.049 -5.788 -43.135 1.00 30.25 ? 177 LEU A CB 1 ATOM 1363 C CG . LEU A 1 174 ? 19.844 -7.254 -43.557 1.00 32.50 ? 177 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 174 ? 21.166 -7.996 -43.563 1.00 31.25 ? 177 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 174 ? 18.842 -7.958 -42.677 1.00 31.94 ? 177 LEU A CD2 1 ATOM 1366 N N . ILE A 1 175 ? 21.100 -5.669 -46.443 1.00 29.22 ? 178 ILE A N 1 ATOM 1367 C CA . ILE A 1 175 ? 20.672 -5.949 -47.812 1.00 28.23 ? 178 ILE A CA 1 ATOM 1368 C C . ILE A 1 175 ? 20.955 -7.420 -48.166 1.00 28.22 ? 178 ILE A C 1 ATOM 1369 O O . ILE A 1 175 ? 22.039 -7.965 -47.856 1.00 29.01 ? 178 ILE A O 1 ATOM 1370 C CB . ILE A 1 175 ? 21.368 -5.020 -48.840 1.00 27.43 ? 178 ILE A CB 1 ATOM 1371 C CG1 . ILE A 1 175 ? 21.171 -3.542 -48.457 1.00 28.58 ? 178 ILE A CG1 1 ATOM 1372 C CG2 . ILE A 1 175 ? 20.811 -5.279 -50.239 1.00 27.97 ? 178 ILE A CG2 1 ATOM 1373 C CD1 . ILE A 1 175 ? 21.844 -2.545 -49.345 1.00 27.22 ? 178 ILE A CD1 1 ATOM 1374 N N . ILE A 1 176 ? 20.006 -8.043 -48.838 1.00 27.08 ? 179 ILE A N 1 ATOM 1375 C CA . ILE A 1 176 ? 20.082 -9.444 -49.207 1.00 27.55 ? 179 ILE A CA 1 ATOM 1376 C C . ILE A 1 176 ? 19.973 -9.552 -50.729 1.00 27.59 ? 179 ILE A C 1 ATOM 1377 O O . ILE A 1 176 ? 19.243 -8.789 -51.351 1.00 27.42 ? 179 ILE A O 1 ATOM 1378 C CB . ILE A 1 176 ? 18.955 -10.269 -48.528 1.00 27.77 ? 179 ILE A CB 1 ATOM 1379 C CG1 . ILE A 1 176 ? 19.105 -10.275 -46.996 1.00 26.87 ? 179 ILE A CG1 1 ATOM 1380 C CG2 . ILE A 1 176 ? 18.891 -11.720 -49.105 1.00 28.11 ? 179 ILE A CG2 1 ATOM 1381 C CD1 . ILE A 1 176 ? 17.806 -10.613 -46.243 1.00 28.62 ? 179 ILE A CD1 1 ATOM 1382 N N . TRP A 1 177 ? 20.706 -10.493 -51.324 1.00 27.42 ? 180 TRP A N 1 ATOM 1383 C CA . TRP A 1 177 ? 20.599 -10.780 -52.763 1.00 28.14 ? 180 TRP A CA 1 ATOM 1384 C C . TRP A 1 177 ? 20.795 -12.278 -52.962 1.00 28.06 ? 180 TRP A C 1 ATOM 1385 O O . TRP A 1 177 ? 21.183 -12.970 -52.036 1.00 27.63 ? 180 TRP A O 1 ATOM 1386 C CB . TRP A 1 177 ? 21.635 -10.011 -53.589 1.00 28.30 ? 180 TRP A CB 1 ATOM 1387 C CG . TRP A 1 177 ? 23.043 -10.420 -53.285 1.00 29.12 ? 180 TRP A CG 1 ATOM 1388 C CD1 . TRP A 1 177 ? 23.811 -11.333 -53.967 1.00 30.88 ? 180 TRP A CD1 1 ATOM 1389 C CD2 . TRP A 1 177 ? 23.853 -9.927 -52.222 1.00 29.80 ? 180 TRP A CD2 1 ATOM 1390 N NE1 . TRP A 1 177 ? 25.040 -11.454 -53.367 1.00 31.44 ? 180 TRP A NE1 1 ATOM 1391 C CE2 . TRP A 1 177 ? 25.096 -10.592 -52.299 1.00 31.09 ? 180 TRP A CE2 1 ATOM 1392 C CE3 . TRP A 1 177 ? 23.647 -8.984 -51.201 1.00 31.45 ? 180 TRP A CE3 1 ATOM 1393 C CZ2 . TRP A 1 177 ? 26.128 -10.349 -51.393 1.00 29.93 ? 180 TRP A CZ2 1 ATOM 1394 C CZ3 . TRP A 1 177 ? 24.677 -8.748 -50.294 1.00 30.98 ? 180 TRP A CZ3 1 ATOM 1395 C CH2 . TRP A 1 177 ? 25.898 -9.431 -50.401 1.00 30.73 ? 180 TRP A CH2 1 ATOM 1396 N N . GLY A 1 178 ? 20.521 -12.768 -54.161 1.00 27.96 ? 181 GLY A N 1 ATOM 1397 C CA . GLY A 1 178 ? 20.628 -14.190 -54.400 1.00 28.11 ? 181 GLY A CA 1 ATOM 1398 C C . GLY A 1 178 ? 21.140 -14.509 -55.773 1.00 28.11 ? 181 GLY A C 1 ATOM 1399 O O . GLY A 1 178 ? 21.180 -13.650 -56.652 1.00 27.62 ? 181 GLY A O 1 ATOM 1400 N N . VAL A 1 179 ? 21.570 -15.753 -55.944 1.00 28.68 ? 182 VAL A N 1 ATOM 1401 C CA . VAL A 1 179 ? 21.958 -16.261 -57.253 1.00 29.01 ? 182 VAL A CA 1 ATOM 1402 C C . VAL A 1 179 ? 21.141 -17.502 -57.524 1.00 29.01 ? 182 VAL A C 1 ATOM 1403 O O . VAL A 1 179 ? 21.035 -18.368 -56.660 1.00 29.21 ? 182 VAL A O 1 ATOM 1404 C CB . VAL A 1 179 ? 23.468 -16.632 -57.343 1.00 29.72 ? 182 VAL A CB 1 ATOM 1405 C CG1 . VAL A 1 179 ? 23.795 -17.201 -58.747 1.00 27.34 ? 182 VAL A CG1 1 ATOM 1406 C CG2 . VAL A 1 179 ? 24.316 -15.406 -57.079 1.00 29.72 ? 182 VAL A CG2 1 ATOM 1407 N N . HIS A 1 180 ? 20.540 -17.568 -58.707 1.00 29.37 ? 183 HIS A N 1 ATOM 1408 C CA . HIS A 1 180 ? 19.834 -18.760 -59.126 1.00 29.47 ? 183 HIS A CA 1 ATOM 1409 C C . HIS A 1 180 ? 20.770 -19.790 -59.799 1.00 30.07 ? 183 HIS A C 1 ATOM 1410 O O . HIS A 1 180 ? 21.427 -19.495 -60.807 1.00 29.91 ? 183 HIS A O 1 ATOM 1411 C CB . HIS A 1 180 ? 18.685 -18.386 -60.061 1.00 29.87 ? 183 HIS A CB 1 ATOM 1412 C CG . HIS A 1 180 ? 17.779 -19.533 -60.379 1.00 28.72 ? 183 HIS A CG 1 ATOM 1413 N ND1 . HIS A 1 180 ? 17.331 -19.796 -61.654 1.00 28.65 ? 183 HIS A ND1 1 ATOM 1414 C CD2 . HIS A 1 180 ? 17.246 -20.490 -59.587 1.00 28.35 ? 183 HIS A CD2 1 ATOM 1415 C CE1 . HIS A 1 180 ? 16.560 -20.868 -61.635 1.00 27.95 ? 183 HIS A CE1 1 ATOM 1416 N NE2 . HIS A 1 180 ? 16.496 -21.309 -60.392 1.00 28.51 ? 183 HIS A NE2 1 ATOM 1417 N N . HIS A 1 181 ? 20.814 -20.977 -59.200 1.00 30.00 ? 184 HIS A N 1 ATOM 1418 C CA . HIS A 1 181 ? 21.467 -22.162 -59.733 1.00 30.88 ? 184 HIS A CA 1 ATOM 1419 C C . HIS A 1 181 ? 20.396 -23.088 -60.328 1.00 30.89 ? 184 HIS A C 1 ATOM 1420 O O . HIS A 1 181 ? 19.703 -23.776 -59.586 1.00 30.02 ? 184 HIS A O 1 ATOM 1421 C CB . HIS A 1 181 ? 22.203 -22.906 -58.612 1.00 30.62 ? 184 HIS A CB 1 ATOM 1422 C CG . HIS A 1 181 ? 23.221 -22.075 -57.892 1.00 32.71 ? 184 HIS A CG 1 ATOM 1423 N ND1 . HIS A 1 181 ? 24.367 -21.607 -58.499 1.00 33.17 ? 184 HIS A ND1 1 ATOM 1424 C CD2 . HIS A 1 181 ? 23.265 -21.633 -56.614 1.00 32.43 ? 184 HIS A CD2 1 ATOM 1425 C CE1 . HIS A 1 181 ? 25.072 -20.908 -57.630 1.00 34.17 ? 184 HIS A CE1 1 ATOM 1426 N NE2 . HIS A 1 181 ? 24.434 -20.921 -56.474 1.00 34.29 ? 184 HIS A NE2 1 ATOM 1427 N N . PRO A 1 182 ? 20.236 -23.078 -61.665 1.00 31.88 ? 185 PRO A N 1 ATOM 1428 C CA . PRO A 1 182 ? 19.213 -23.891 -62.333 1.00 33.18 ? 185 PRO A CA 1 ATOM 1429 C C . PRO A 1 182 ? 19.478 -25.397 -62.334 1.00 34.77 ? 185 PRO A C 1 ATOM 1430 O O . PRO A 1 182 ? 20.601 -25.858 -62.064 1.00 34.71 ? 185 PRO A O 1 ATOM 1431 C CB . PRO A 1 182 ? 19.227 -23.357 -63.769 1.00 33.25 ? 185 PRO A CB 1 ATOM 1432 C CG . PRO A 1 182 ? 19.975 -22.034 -63.669 1.00 31.76 ? 185 PRO A CG 1 ATOM 1433 C CD . PRO A 1 182 ? 20.993 -22.284 -62.640 1.00 31.28 ? 185 PRO A CD 1 ATOM 1434 N N . ASN A 1 183 ? 18.425 -26.147 -62.632 1.00 36.43 ? 186 ASN A N 1 ATOM 1435 C CA . ASN A 1 183 ? 18.465 -27.602 -62.695 1.00 38.90 ? 186 ASN A CA 1 ATOM 1436 C C . ASN A 1 183 ? 19.103 -28.063 -64.017 1.00 40.27 ? 186 ASN A C 1 ATOM 1437 O O . ASN A 1 183 ? 19.835 -29.049 -64.043 1.00 39.98 ? 186 ASN A O 1 ATOM 1438 C CB . ASN A 1 183 ? 17.038 -28.155 -62.502 1.00 38.63 ? 186 ASN A CB 1 ATOM 1439 C CG . ASN A 1 183 ? 16.983 -29.679 -62.431 1.00 40.82 ? 186 ASN A CG 1 ATOM 1440 O OD1 . ASN A 1 183 ? 17.390 -30.301 -61.439 1.00 41.97 ? 186 ASN A OD1 1 ATOM 1441 N ND2 . ASN A 1 183 ? 16.441 -30.286 -63.477 1.00 42.74 ? 186 ASN A ND2 1 ATOM 1442 N N . ASP A 1 184 ? 18.859 -27.317 -65.097 1.00 42.09 ? 187 ASP A N 1 ATOM 1443 C CA . ASP A 1 184 ? 19.257 -27.728 -66.451 1.00 44.45 ? 187 ASP A CA 1 ATOM 1444 C C . ASP A 1 184 ? 19.450 -26.530 -67.391 1.00 45.48 ? 187 ASP A C 1 ATOM 1445 O O . ASP A 1 184 ? 19.108 -25.398 -67.043 1.00 45.50 ? 187 ASP A O 1 ATOM 1446 C CB . ASP A 1 184 ? 18.233 -28.720 -67.043 1.00 44.38 ? 187 ASP A CB 1 ATOM 1447 C CG . ASP A 1 184 ? 16.785 -28.224 -66.915 1.00 46.12 ? 187 ASP A CG 1 ATOM 1448 O OD1 . ASP A 1 184 ? 16.454 -27.164 -67.490 1.00 46.76 ? 187 ASP A OD1 1 ATOM 1449 O OD2 . ASP A 1 184 ? 15.970 -28.893 -66.230 1.00 49.20 ? 187 ASP A OD2 1 ATOM 1450 N N . GLU A 1 185 ? 19.990 -26.796 -68.581 1.00 47.06 ? 188 GLU A N 1 ATOM 1451 C CA . GLU A 1 185 ? 20.267 -25.757 -69.581 1.00 48.70 ? 188 GLU A CA 1 ATOM 1452 C C . GLU A 1 185 ? 19.012 -25.151 -70.193 1.00 48.84 ? 188 GLU A C 1 ATOM 1453 O O . GLU A 1 185 ? 19.005 -23.974 -70.550 1.00 48.63 ? 188 GLU A O 1 ATOM 1454 C CB . GLU A 1 185 ? 21.183 -26.273 -70.685 1.00 49.35 ? 188 GLU A CB 1 ATOM 1455 C CG . GLU A 1 185 ? 22.677 -26.044 -70.430 1.00 53.05 ? 188 GLU A CG 1 ATOM 1456 C CD . GLU A 1 185 ? 23.484 -25.992 -71.732 1.00 58.41 ? 188 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 185 ? 23.268 -25.043 -72.530 1.00 59.29 ? 188 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 185 ? 24.332 -26.901 -71.958 1.00 60.03 ? 188 GLU A OE2 1 ATOM 1459 N N . THR A 1 186 ? 17.950 -25.948 -70.304 1.00 49.51 ? 189 THR A N 1 ATOM 1460 C CA . THR A 1 186 ? 16.672 -25.432 -70.813 1.00 49.94 ? 189 THR A CA 1 ATOM 1461 C C . THR A 1 186 ? 16.154 -24.336 -69.873 1.00 49.54 ? 189 THR A C 1 ATOM 1462 O O . THR A 1 186 ? 15.686 -23.283 -70.333 1.00 49.88 ? 189 THR A O 1 ATOM 1463 C CB . THR A 1 186 ? 15.600 -26.550 -71.050 1.00 50.18 ? 189 THR A CB 1 ATOM 1464 O OG1 . THR A 1 186 ? 14.907 -26.838 -69.826 1.00 51.64 ? 189 THR A OG1 1 ATOM 1465 C CG2 . THR A 1 186 ? 16.241 -27.828 -71.597 1.00 49.75 ? 189 THR A CG2 1 ATOM 1466 N N . GLU A 1 187 ? 16.285 -24.571 -68.565 1.00 48.81 ? 190 GLU A N 1 ATOM 1467 C CA . GLU A 1 187 ? 15.966 -23.556 -67.551 1.00 48.61 ? 190 GLU A CA 1 ATOM 1468 C C . GLU A 1 187 ? 16.869 -22.311 -67.663 1.00 47.49 ? 190 GLU A C 1 ATOM 1469 O O . GLU A 1 187 ? 16.390 -21.183 -67.560 1.00 47.19 ? 190 GLU A O 1 ATOM 1470 C CB . GLU A 1 187 ? 16.044 -24.150 -66.142 1.00 48.24 ? 190 GLU A CB 1 ATOM 1471 C CG . GLU A 1 187 ? 15.325 -23.329 -65.063 1.00 49.53 ? 190 GLU A CG 1 ATOM 1472 C CD . GLU A 1 187 ? 15.372 -23.989 -63.681 1.00 50.15 ? 190 GLU A CD 1 ATOM 1473 O OE1 . GLU A 1 187 ? 16.241 -24.859 -63.444 1.00 51.22 ? 190 GLU A OE1 1 ATOM 1474 O OE2 . GLU A 1 187 ? 14.540 -23.634 -62.819 1.00 53.29 ? 190 GLU A OE2 1 ATOM 1475 N N . GLN A 1 188 ? 18.163 -22.524 -67.877 1.00 46.46 ? 191 GLN A N 1 ATOM 1476 C CA . GLN A 1 188 ? 19.092 -21.421 -68.060 1.00 46.19 ? 191 GLN A CA 1 ATOM 1477 C C . GLN A 1 188 ? 18.752 -20.525 -69.266 1.00 46.79 ? 191 GLN A C 1 ATOM 1478 O O . GLN A 1 188 ? 18.728 -19.281 -69.155 1.00 46.34 ? 191 GLN A O 1 ATOM 1479 C CB . GLN A 1 188 ? 20.525 -21.945 -68.170 1.00 45.57 ? 191 GLN A CB 1 ATOM 1480 C CG . GLN A 1 188 ? 21.586 -20.848 -68.278 1.00 43.14 ? 191 GLN A CG 1 ATOM 1481 C CD . GLN A 1 188 ? 21.720 -19.999 -67.018 1.00 38.80 ? 191 GLN A CD 1 ATOM 1482 O OE1 . GLN A 1 188 ? 21.389 -20.434 -65.910 1.00 38.54 ? 191 GLN A OE1 1 ATOM 1483 N NE2 . GLN A 1 188 ? 22.221 -18.791 -67.182 1.00 35.09 ? 191 GLN A NE2 1 ATOM 1484 N N . ARG A 1 189 ? 18.474 -21.159 -70.407 1.00 46.94 ? 192 ARG A N 1 ATOM 1485 C CA . ARG A 1 189 ? 18.222 -20.427 -71.640 1.00 47.45 ? 192 ARG A CA 1 ATOM 1486 C C . ARG A 1 189 ? 16.874 -19.719 -71.622 1.00 47.03 ? 192 ARG A C 1 ATOM 1487 O O . ARG A 1 189 ? 16.770 -18.562 -72.042 1.00 47.42 ? 192 ARG A O 1 ATOM 1488 C CB . ARG A 1 189 ? 18.345 -21.350 -72.859 1.00 47.46 ? 192 ARG A CB 1 ATOM 1489 C CG . ARG A 1 189 ? 19.765 -21.835 -73.102 1.00 48.66 ? 192 ARG A CG 1 ATOM 1490 C CD . ARG A 1 189 ? 19.889 -22.618 -74.409 1.00 50.00 ? 192 ARG A CD 1 ATOM 1491 N NE . ARG A 1 189 ? 21.291 -22.912 -74.725 1.00 54.39 ? 192 ARG A NE 1 ATOM 1492 C CZ . ARG A 1 189 ? 22.117 -22.075 -75.347 1.00 56.69 ? 192 ARG A CZ 1 ATOM 1493 N NH1 . ARG A 1 189 ? 21.698 -20.869 -75.736 1.00 57.99 ? 192 ARG A NH1 1 ATOM 1494 N NH2 . ARG A 1 189 ? 23.369 -22.446 -75.586 1.00 58.01 ? 192 ARG A NH2 1 ATOM 1495 N N . THR A 1 190 ? 15.845 -20.393 -71.116 1.00 46.43 ? 193 THR A N 1 ATOM 1496 C CA . THR A 1 190 ? 14.499 -19.829 -71.189 1.00 46.13 ? 193 THR A CA 1 ATOM 1497 C C . THR A 1 190 ? 14.318 -18.669 -70.207 1.00 45.27 ? 193 THR A C 1 ATOM 1498 O O . THR A 1 190 ? 13.606 -17.702 -70.496 1.00 45.35 ? 193 THR A O 1 ATOM 1499 C CB . THR A 1 190 ? 13.390 -20.903 -71.067 1.00 46.21 ? 193 THR A CB 1 ATOM 1500 O OG1 . THR A 1 190 ? 13.462 -21.539 -69.794 1.00 48.20 ? 193 THR A OG1 1 ATOM 1501 C CG2 . THR A 1 190 ? 13.550 -21.964 -72.141 1.00 46.86 ? 193 THR A CG2 1 ATOM 1502 N N . LEU A 1 191 ? 14.999 -18.741 -69.067 1.00 44.45 ? 194 LEU A N 1 ATOM 1503 C CA . LEU A 1 191 ? 14.972 -17.641 -68.109 1.00 43.33 ? 194 LEU A CA 1 ATOM 1504 C C . LEU A 1 191 ? 15.911 -16.480 -68.472 1.00 42.84 ? 194 LEU A C 1 ATOM 1505 O O . LEU A 1 191 ? 15.501 -15.326 -68.407 1.00 42.39 ? 194 LEU A O 1 ATOM 1506 C CB . LEU A 1 191 ? 15.267 -18.143 -66.690 1.00 43.27 ? 194 LEU A CB 1 ATOM 1507 C CG . LEU A 1 191 ? 14.323 -19.150 -66.024 1.00 43.20 ? 194 LEU A CG 1 ATOM 1508 C CD1 . LEU A 1 191 ? 14.863 -19.561 -64.641 1.00 42.45 ? 194 LEU A CD1 1 ATOM 1509 C CD2 . LEU A 1 191 ? 12.907 -18.613 -65.910 1.00 43.93 ? 194 LEU A CD2 1 ATOM 1510 N N . TYR A 1 192 ? 17.156 -16.787 -68.845 1.00 42.58 ? 195 TYR A N 1 ATOM 1511 C CA . TYR A 1 192 ? 18.227 -15.771 -68.942 1.00 42.67 ? 195 TYR A CA 1 ATOM 1512 C C . TYR A 1 192 ? 18.851 -15.564 -70.326 1.00 44.12 ? 195 TYR A C 1 ATOM 1513 O O . TYR A 1 192 ? 19.638 -14.631 -70.501 1.00 43.98 ? 195 TYR A O 1 ATOM 1514 C CB . TYR A 1 192 ? 19.348 -16.066 -67.922 1.00 41.13 ? 195 TYR A CB 1 ATOM 1515 C CG . TYR A 1 192 ? 18.808 -16.386 -66.550 1.00 39.57 ? 195 TYR A CG 1 ATOM 1516 C CD1 . TYR A 1 192 ? 18.178 -15.403 -65.779 1.00 36.80 ? 195 TYR A CD1 1 ATOM 1517 C CD2 . TYR A 1 192 ? 18.884 -17.683 -66.046 1.00 37.47 ? 195 TYR A CD2 1 ATOM 1518 C CE1 . TYR A 1 192 ? 17.657 -15.713 -64.521 1.00 37.58 ? 195 TYR A CE1 1 ATOM 1519 C CE2 . TYR A 1 192 ? 18.376 -18.004 -64.794 1.00 37.33 ? 195 TYR A CE2 1 ATOM 1520 C CZ . TYR A 1 192 ? 17.762 -17.021 -64.042 1.00 37.18 ? 195 TYR A CZ 1 ATOM 1521 O OH . TYR A 1 192 ? 17.255 -17.354 -62.816 1.00 37.52 ? 195 TYR A OH 1 ATOM 1522 N N . GLN A 1 193 ? 18.502 -16.428 -71.288 1.00 45.90 ? 196 GLN A N 1 ATOM 1523 C CA . GLN A 1 193 ? 19.086 -16.451 -72.656 1.00 47.60 ? 196 GLN A CA 1 ATOM 1524 C C . GLN A 1 193 ? 20.596 -16.713 -72.729 1.00 47.95 ? 196 GLN A C 1 ATOM 1525 O O . GLN A 1 193 ? 21.044 -17.538 -73.531 1.00 48.88 ? 196 GLN A O 1 ATOM 1526 C CB . GLN A 1 193 ? 18.699 -15.204 -73.476 1.00 48.07 ? 196 GLN A CB 1 ATOM 1527 C CG . GLN A 1 193 ? 17.208 -15.124 -73.791 1.00 50.50 ? 196 GLN A CG 1 ATOM 1528 C CD . GLN A 1 193 ? 16.728 -16.200 -74.760 1.00 54.49 ? 196 GLN A CD 1 ATOM 1529 O OE1 . GLN A 1 193 ? 17.419 -16.517 -75.735 1.00 55.53 ? 196 GLN A OE1 1 ATOM 1530 N NE2 . GLN A 1 193 ? 15.529 -16.757 -74.503 1.00 55.45 ? 196 GLN A NE2 1 ATOM 1531 N N . ASN A 1 194 ? 21.367 -15.996 -71.913 1.00 48.09 ? 197 ASN A N 1 ATOM 1532 C CA . ASN A 1 194 ? 22.815 -16.135 -71.857 1.00 48.14 ? 197 ASN A CA 1 ATOM 1533 C C . ASN A 1 194 ? 23.266 -17.414 -71.155 1.00 48.36 ? 197 ASN A C 1 ATOM 1534 O O . ASN A 1 194 ? 22.598 -17.925 -70.237 1.00 48.10 ? 197 ASN A O 1 ATOM 1535 C CB . ASN A 1 194 ? 23.450 -14.932 -71.141 1.00 48.15 ? 197 ASN A CB 1 ATOM 1536 C CG . ASN A 1 194 ? 23.016 -13.582 -71.713 1.00 49.08 ? 197 ASN A CG 1 ATOM 1537 O OD1 . ASN A 1 194 ? 22.707 -13.455 -72.904 1.00 50.08 ? 197 ASN A OD1 1 ATOM 1538 N ND2 . ASN A 1 194 ? 23.012 -12.554 -70.855 1.00 48.36 ? 197 ASN A ND2 1 ATOM 1539 N N . VAL A 1 195 ? 24.424 -17.911 -71.576 1.00 48.38 ? 198 VAL A N 1 ATOM 1540 C CA . VAL A 1 195 ? 25.066 -19.040 -70.914 1.00 48.51 ? 198 VAL A CA 1 ATOM 1541 C C . VAL A 1 195 ? 26.460 -18.605 -70.464 1.00 48.52 ? 198 VAL A C 1 ATOM 1542 O O . VAL A 1 195 ? 27.060 -17.732 -71.081 1.00 49.29 ? 198 VAL A O 1 ATOM 1543 C CB . VAL A 1 195 ? 25.090 -20.314 -71.814 1.00 48.76 ? 198 VAL A CB 1 ATOM 1544 C CG1 . VAL A 1 195 ? 23.702 -20.951 -71.870 1.00 48.53 ? 198 VAL A CG1 1 ATOM 1545 C CG2 . VAL A 1 195 ? 25.582 -19.994 -73.237 1.00 48.72 ? 198 VAL A CG2 1 ATOM 1546 N N . GLY A 1 196 ? 26.961 -19.181 -69.376 1.00 47.98 ? 199 GLY A N 1 ATOM 1547 C CA . GLY A 1 196 ? 28.221 -18.723 -68.797 1.00 47.17 ? 199 GLY A CA 1 ATOM 1548 C C . GLY A 1 196 ? 28.054 -17.312 -68.249 1.00 46.48 ? 199 GLY A C 1 ATOM 1549 O O . GLY A 1 196 ? 28.753 -16.384 -68.669 1.00 46.66 ? 199 GLY A O 1 ATOM 1550 N N . THR A 1 197 ? 27.115 -17.164 -67.318 1.00 44.90 ? 200 THR A N 1 ATOM 1551 C CA . THR A 1 197 ? 26.784 -15.879 -66.704 1.00 43.50 ? 200 THR A CA 1 ATOM 1552 C C . THR A 1 197 ? 27.477 -15.709 -65.349 1.00 42.78 ? 200 THR A C 1 ATOM 1553 O O . THR A 1 197 ? 28.195 -16.597 -64.902 1.00 42.45 ? 200 THR A O 1 ATOM 1554 C CB . THR A 1 197 ? 25.248 -15.720 -66.544 1.00 43.04 ? 200 THR A CB 1 ATOM 1555 O OG1 . THR A 1 197 ? 24.750 -16.722 -65.655 1.00 42.13 ? 200 THR A OG1 1 ATOM 1556 C CG2 . THR A 1 197 ? 24.566 -15.891 -67.869 1.00 42.55 ? 200 THR A CG2 1 ATOM 1557 N N . TYR A 1 198 ? 27.273 -14.555 -64.709 1.00 42.44 ? 201 TYR A N 1 ATOM 1558 C CA . TYR A 1 198 ? 27.784 -14.291 -63.350 1.00 41.84 ? 201 TYR A CA 1 ATOM 1559 C C . TYR A 1 198 ? 26.912 -13.264 -62.601 1.00 40.72 ? 201 TYR A C 1 ATOM 1560 O O . TYR A 1 198 ? 26.174 -12.490 -63.194 1.00 39.20 ? 201 TYR A O 1 ATOM 1561 C CB . TYR A 1 198 ? 29.218 -13.753 -63.403 1.00 42.92 ? 201 TYR A CB 1 ATOM 1562 C CG . TYR A 1 198 ? 29.248 -12.394 -64.050 1.00 44.61 ? 201 TYR A CG 1 ATOM 1563 C CD1 . TYR A 1 198 ? 29.156 -11.223 -63.283 1.00 43.69 ? 201 TYR A CD1 1 ATOM 1564 C CD2 . TYR A 1 198 ? 29.286 -12.281 -65.444 1.00 45.64 ? 201 TYR A CD2 1 ATOM 1565 C CE1 . TYR A 1 198 ? 29.131 -9.985 -63.893 1.00 44.31 ? 201 TYR A CE1 1 ATOM 1566 C CE2 . TYR A 1 198 ? 29.265 -11.063 -66.052 1.00 46.94 ? 201 TYR A CE2 1 ATOM 1567 C CZ . TYR A 1 198 ? 29.198 -9.915 -65.280 1.00 45.92 ? 201 TYR A CZ 1 ATOM 1568 O OH . TYR A 1 198 ? 29.180 -8.714 -65.937 1.00 46.79 ? 201 TYR A OH 1 ATOM 1569 N N . VAL A 1 199 ? 27.029 -13.276 -61.282 1.00 40.23 ? 202 VAL A N 1 ATOM 1570 C CA . VAL A 1 199 ? 26.451 -12.250 -60.443 1.00 40.06 ? 202 VAL A CA 1 ATOM 1571 C C . VAL A 1 199 ? 27.601 -11.624 -59.662 1.00 39.94 ? 202 VAL A C 1 ATOM 1572 O O . VAL A 1 199 ? 28.411 -12.332 -59.074 1.00 39.97 ? 202 VAL A O 1 ATOM 1573 C CB . VAL A 1 199 ? 25.339 -12.830 -59.518 1.00 40.01 ? 202 VAL A CB 1 ATOM 1574 C CG1 . VAL A 1 199 ? 24.865 -11.805 -58.494 1.00 39.59 ? 202 VAL A CG1 1 ATOM 1575 C CG2 . VAL A 1 199 ? 24.172 -13.348 -60.363 1.00 38.97 ? 202 VAL A CG2 1 ATOM 1576 N N . SER A 1 200 ? 27.661 -10.292 -59.675 1.00 39.91 ? 203 SER A N 1 ATOM 1577 C CA . SER A 1 200 ? 28.724 -9.549 -59.015 1.00 39.82 ? 203 SER A CA 1 ATOM 1578 C C . SER A 1 200 ? 28.180 -8.499 -58.036 1.00 39.15 ? 203 SER A C 1 ATOM 1579 O O . SER A 1 200 ? 27.352 -7.674 -58.408 1.00 38.24 ? 203 SER A O 1 ATOM 1580 C CB . SER A 1 200 ? 29.600 -8.876 -60.070 1.00 39.83 ? 203 SER A CB 1 ATOM 1581 O OG . SER A 1 200 ? 30.932 -8.798 -59.608 1.00 44.05 ? 203 SER A OG 1 ATOM 1582 N N . VAL A 1 201 ? 28.646 -8.552 -56.784 1.00 38.96 ? 204 VAL A N 1 ATOM 1583 C CA . VAL A 1 201 ? 28.280 -7.568 -55.771 1.00 38.50 ? 204 VAL A CA 1 ATOM 1584 C C . VAL A 1 201 ? 29.537 -6.914 -55.195 1.00 39.49 ? 204 VAL A C 1 ATOM 1585 O O . VAL A 1 201 ? 30.509 -7.588 -54.844 1.00 39.66 ? 204 VAL A O 1 ATOM 1586 C CB . VAL A 1 201 ? 27.440 -8.167 -54.615 1.00 38.45 ? 204 VAL A CB 1 ATOM 1587 C CG1 . VAL A 1 201 ? 26.898 -7.046 -53.707 1.00 36.93 ? 204 VAL A CG1 1 ATOM 1588 C CG2 . VAL A 1 201 ? 26.285 -9.014 -55.166 1.00 37.39 ? 204 VAL A CG2 1 ATOM 1589 N N . GLY A 1 202 ? 29.495 -5.589 -55.104 1.00 39.43 ? 205 GLY A N 1 ATOM 1590 C CA . GLY A 1 202 ? 30.625 -4.803 -54.660 1.00 39.45 ? 205 GLY A CA 1 ATOM 1591 C C . GLY A 1 202 ? 30.175 -3.613 -53.848 1.00 38.89 ? 205 GLY A C 1 ATOM 1592 O O . GLY A 1 202 ? 29.261 -2.876 -54.224 1.00 38.90 ? 205 GLY A O 1 ATOM 1593 N N . THR A 1 203 ? 30.786 -3.475 -52.692 1.00 38.55 ? 206 THR A N 1 ATOM 1594 C CA . THR A 1 203 ? 30.761 -2.236 -51.954 1.00 38.21 ? 206 THR A CA 1 ATOM 1595 C C . THR A 1 203 ? 32.245 -1.788 -51.823 1.00 39.16 ? 206 THR A C 1 ATOM 1596 O O . THR A 1 203 ? 33.137 -2.331 -52.518 1.00 37.84 ? 206 THR A O 1 ATOM 1597 C CB . THR A 1 203 ? 30.087 -2.437 -50.591 1.00 37.68 ? 206 THR A CB 1 ATOM 1598 O OG1 . THR A 1 203 ? 30.948 -3.194 -49.750 1.00 35.78 ? 206 THR A OG1 1 ATOM 1599 C CG2 . THR A 1 203 ? 28.754 -3.206 -50.729 1.00 38.49 ? 206 THR A CG2 1 ATOM 1600 N N . SER A 1 204 ? 32.499 -0.818 -50.943 1.00 39.53 ? 207 SER A N 1 ATOM 1601 C CA . SER A 1 204 ? 33.857 -0.370 -50.641 1.00 41.22 ? 207 SER A CA 1 ATOM 1602 C C . SER A 1 204 ? 34.698 -1.495 -49.997 1.00 42.13 ? 207 SER A C 1 ATOM 1603 O O . SER A 1 204 ? 35.927 -1.503 -50.164 1.00 41.80 ? 207 SER A O 1 ATOM 1604 C CB . SER A 1 204 ? 33.830 0.857 -49.715 1.00 40.52 ? 207 SER A CB 1 ATOM 1605 O OG . SER A 1 204 ? 33.435 0.462 -48.403 1.00 41.98 ? 207 SER A OG 1 ATOM 1606 N N . THR A 1 205 ? 34.026 -2.420 -49.286 1.00 42.91 ? 208 THR A N 1 ATOM 1607 C CA . THR A 1 205 ? 34.680 -3.526 -48.561 1.00 44.12 ? 208 THR A CA 1 ATOM 1608 C C . THR A 1 205 ? 34.315 -4.941 -49.040 1.00 44.45 ? 208 THR A C 1 ATOM 1609 O O . THR A 1 205 ? 35.058 -5.899 -48.799 1.00 45.23 ? 208 THR A O 1 ATOM 1610 C CB . THR A 1 205 ? 34.372 -3.521 -47.056 1.00 44.00 ? 208 THR A CB 1 ATOM 1611 O OG1 . THR A 1 205 ? 33.093 -4.131 -46.832 1.00 46.19 ? 208 THR A OG1 1 ATOM 1612 C CG2 . THR A 1 205 ? 34.397 -2.141 -46.488 1.00 44.91 ? 208 THR A CG2 1 ATOM 1613 N N . LEU A 1 206 ? 33.170 -5.097 -49.683 1.00 44.72 ? 209 LEU A N 1 ATOM 1614 C CA . LEU A 1 206 ? 32.770 -6.417 -50.141 1.00 44.83 ? 209 LEU A CA 1 ATOM 1615 C C . LEU A 1 206 ? 32.991 -6.493 -51.638 1.00 44.81 ? 209 LEU A C 1 ATOM 1616 O O . LEU A 1 206 ? 32.743 -5.533 -52.361 1.00 44.18 ? 209 LEU A O 1 ATOM 1617 C CB . LEU A 1 206 ? 31.315 -6.712 -49.768 1.00 45.25 ? 209 LEU A CB 1 ATOM 1618 C CG . LEU A 1 206 ? 30.710 -8.096 -50.044 1.00 45.68 ? 209 LEU A CG 1 ATOM 1619 C CD1 . LEU A 1 206 ? 31.219 -9.121 -49.043 1.00 47.96 ? 209 LEU A CD1 1 ATOM 1620 C CD2 . LEU A 1 206 ? 29.208 -8.018 -49.976 1.00 45.04 ? 209 LEU A CD2 1 ATOM 1621 N N . ASN A 1 207 ? 33.520 -7.626 -52.080 1.00 45.34 ? 210 ASN A N 1 ATOM 1622 C CA . ASN A 1 207 ? 33.701 -7.923 -53.484 1.00 46.31 ? 210 ASN A CA 1 ATOM 1623 C C . ASN A 1 207 ? 33.334 -9.386 -53.588 1.00 46.91 ? 210 ASN A C 1 ATOM 1624 O O . ASN A 1 207 ? 34.106 -10.264 -53.198 1.00 47.27 ? 210 ASN A O 1 ATOM 1625 C CB . ASN A 1 207 ? 35.152 -7.665 -53.916 1.00 46.18 ? 210 ASN A CB 1 ATOM 1626 C CG . ASN A 1 207 ? 35.393 -7.919 -55.413 1.00 47.91 ? 210 ASN A CG 1 ATOM 1627 O OD1 . ASN A 1 207 ? 34.581 -7.538 -56.264 1.00 50.54 ? 210 ASN A OD1 1 ATOM 1628 N ND2 . ASN A 1 207 ? 36.528 -8.547 -55.736 1.00 47.33 ? 210 ASN A ND2 1 ATOM 1629 N N . LYS A 1 208 ? 32.131 -9.653 -54.070 1.00 47.85 ? 211 LYS A N 1 ATOM 1630 C CA . LYS A 1 208 ? 31.634 -11.020 -54.084 1.00 48.46 ? 211 LYS A CA 1 ATOM 1631 C C . LYS A 1 208 ? 31.074 -11.389 -55.433 1.00 48.43 ? 211 LYS A C 1 ATOM 1632 O O . LYS A 1 208 ? 30.228 -10.694 -55.974 1.00 48.69 ? 211 LYS A O 1 ATOM 1633 C CB . LYS A 1 208 ? 30.605 -11.253 -52.971 1.00 48.52 ? 211 LYS A CB 1 ATOM 1634 C CG . LYS A 1 208 ? 30.382 -12.738 -52.659 1.00 49.37 ? 211 LYS A CG 1 ATOM 1635 C CD . LYS A 1 208 ? 29.497 -12.980 -51.442 1.00 48.76 ? 211 LYS A CD 1 ATOM 1636 C CE . LYS A 1 208 ? 29.030 -14.439 -51.447 1.00 51.06 ? 211 LYS A CE 1 ATOM 1637 N NZ . LYS A 1 208 ? 28.304 -14.866 -50.206 1.00 51.64 ? 211 LYS A NZ 1 ATOM 1638 N N . ARG A 1 209 ? 31.577 -12.479 -55.987 1.00 48.97 ? 212 ARG A N 1 ATOM 1639 C CA . ARG A 1 209 ? 31.063 -12.972 -57.253 1.00 49.41 ? 212 ARG A CA 1 ATOM 1640 C C . ARG A 1 209 ? 30.632 -14.443 -57.221 1.00 49.94 ? 212 ARG A C 1 ATOM 1641 O O . ARG A 1 209 ? 31.273 -15.292 -56.558 1.00 50.15 ? 212 ARG A O 1 ATOM 1642 C CB . ARG A 1 209 ? 32.039 -12.736 -58.396 1.00 48.78 ? 212 ARG A CB 1 ATOM 1643 C CG . ARG A 1 209 ? 31.674 -13.578 -59.578 1.00 48.81 ? 212 ARG A CG 1 ATOM 1644 C CD . ARG A 1 209 ? 32.460 -13.249 -60.787 1.00 47.69 ? 212 ARG A CD 1 ATOM 1645 N NE . ARG A 1 209 ? 32.512 -11.822 -61.016 1.00 48.84 ? 212 ARG A NE 1 ATOM 1646 C CZ . ARG A 1 209 ? 32.792 -11.274 -62.193 1.00 48.72 ? 212 ARG A CZ 1 ATOM 1647 N NH1 . ARG A 1 209 ? 33.022 -12.055 -63.234 1.00 48.49 ? 212 ARG A NH1 1 ATOM 1648 N NH2 . ARG A 1 209 ? 32.826 -9.950 -62.324 1.00 48.86 ? 212 ARG A NH2 1 ATOM 1649 N N . SER A 1 210 ? 29.541 -14.722 -57.947 1.00 49.54 ? 213 SER A N 1 ATOM 1650 C CA . SER A 1 210 ? 29.068 -16.074 -58.174 1.00 48.93 ? 213 SER A CA 1 ATOM 1651 C C . SER A 1 210 ? 28.860 -16.341 -59.664 1.00 48.47 ? 213 SER A C 1 ATOM 1652 O O . SER A 1 210 ? 28.325 -15.504 -60.392 1.00 48.30 ? 213 SER A O 1 ATOM 1653 C CB . SER A 1 210 ? 27.763 -16.314 -57.421 1.00 49.35 ? 213 SER A CB 1 ATOM 1654 O OG . SER A 1 210 ? 27.882 -15.947 -56.051 1.00 50.41 ? 213 SER A OG 1 ATOM 1655 N N . THR A 1 211 ? 29.318 -17.505 -60.110 1.00 47.63 ? 214 THR A N 1 ATOM 1656 C CA . THR A 1 211 ? 28.888 -18.078 -61.381 1.00 47.24 ? 214 THR A CA 1 ATOM 1657 C C . THR A 1 211 ? 27.844 -19.167 -61.051 1.00 46.32 ? 214 THR A C 1 ATOM 1658 O O . THR A 1 211 ? 28.093 -20.027 -60.196 1.00 46.47 ? 214 THR A O 1 ATOM 1659 C CB . THR A 1 211 ? 30.056 -18.724 -62.165 1.00 47.07 ? 214 THR A CB 1 ATOM 1660 O OG1 . THR A 1 211 ? 30.633 -19.762 -61.366 1.00 48.79 ? 214 THR A OG1 1 ATOM 1661 C CG2 . THR A 1 211 ? 31.138 -17.690 -62.518 1.00 47.92 ? 214 THR A CG2 1 ATOM 1662 N N . PRO A 1 212 ? 26.666 -19.113 -61.698 1.00 45.07 ? 215 PRO A N 1 ATOM 1663 C CA . PRO A 1 212 ? 25.589 -20.065 -61.426 1.00 44.55 ? 215 PRO A CA 1 ATOM 1664 C C . PRO A 1 212 ? 25.952 -21.508 -61.769 1.00 44.17 ? 215 PRO A C 1 ATOM 1665 O O . PRO A 1 212 ? 26.789 -21.757 -62.634 1.00 44.65 ? 215 PRO A O 1 ATOM 1666 C CB . PRO A 1 212 ? 24.462 -19.571 -62.322 1.00 43.97 ? 215 PRO A CB 1 ATOM 1667 C CG . PRO A 1 212 ? 24.783 -18.132 -62.559 1.00 44.47 ? 215 PRO A CG 1 ATOM 1668 C CD . PRO A 1 212 ? 26.256 -18.113 -62.694 1.00 45.08 ? 215 PRO A CD 1 ATOM 1669 N N . GLU A 1 213 ? 25.311 -22.448 -61.095 1.00 43.75 ? 216 GLU A N 1 ATOM 1670 C CA . GLU A 1 213 ? 25.644 -23.863 -61.231 1.00 43.21 ? 216 GLU A CA 1 ATOM 1671 C C . GLU A 1 213 ? 24.445 -24.673 -61.701 1.00 42.84 ? 216 GLU A C 1 ATOM 1672 O O . GLU A 1 213 ? 23.439 -24.789 -61.002 1.00 42.72 ? 216 GLU A O 1 ATOM 1673 C CB . GLU A 1 213 ? 26.197 -24.399 -59.914 1.00 43.02 ? 216 GLU A CB 1 ATOM 1674 C CG . GLU A 1 213 ? 27.496 -23.693 -59.526 1.00 43.30 ? 216 GLU A CG 1 ATOM 1675 C CD . GLU A 1 213 ? 27.918 -23.942 -58.103 1.00 44.69 ? 216 GLU A CD 1 ATOM 1676 O OE1 . GLU A 1 213 ? 27.173 -24.635 -57.357 1.00 45.26 ? 216 GLU A OE1 1 ATOM 1677 O OE2 . GLU A 1 213 ? 29.009 -23.443 -57.733 1.00 44.42 ? 216 GLU A OE2 1 ATOM 1678 N N . ILE A 1 214 ? 24.555 -25.198 -62.913 1.00 42.11 ? 217 ILE A N 1 ATOM 1679 C CA . ILE A 1 214 ? 23.516 -26.018 -63.481 1.00 41.60 ? 217 ILE A CA 1 ATOM 1680 C C . ILE A 1 214 ? 23.810 -27.469 -63.158 1.00 41.36 ? 217 ILE A C 1 ATOM 1681 O O . ILE A 1 214 ? 24.812 -28.027 -63.610 1.00 41.74 ? 217 ILE A O 1 ATOM 1682 C CB . ILE A 1 214 ? 23.401 -25.803 -64.991 1.00 41.91 ? 217 ILE A CB 1 ATOM 1683 C CG1 . ILE A 1 214 ? 23.068 -24.339 -65.275 1.00 40.68 ? 217 ILE A CG1 1 ATOM 1684 C CG2 . ILE A 1 214 ? 22.367 -26.770 -65.584 1.00 41.56 ? 217 ILE A CG2 1 ATOM 1685 C CD1 . ILE A 1 214 ? 23.478 -23.875 -66.650 1.00 44.41 ? 217 ILE A CD1 1 ATOM 1686 N N . ALA A 1 215 ? 22.935 -28.062 -62.354 1.00 40.99 ? 218 ALA A N 1 ATOM 1687 C CA . ALA A 1 215 ? 23.084 -29.436 -61.895 1.00 41.37 ? 218 ALA A CA 1 ATOM 1688 C C . ALA A 1 215 ? 21.737 -30.019 -61.516 1.00 41.55 ? 218 ALA A C 1 ATOM 1689 O O . ALA A 1 215 ? 20.891 -29.323 -60.955 1.00 41.00 ? 218 ALA A O 1 ATOM 1690 C CB . ALA A 1 215 ? 24.065 -29.530 -60.703 1.00 40.56 ? 218 ALA A CB 1 ATOM 1691 N N . THR A 1 216 ? 21.562 -31.300 -61.851 1.00 41.88 ? 219 THR A N 1 ATOM 1692 C CA . THR A 1 216 ? 20.447 -32.131 -61.387 1.00 41.77 ? 219 THR A CA 1 ATOM 1693 C C . THR A 1 216 ? 20.524 -32.395 -59.873 1.00 41.24 ? 219 THR A C 1 ATOM 1694 O O . THR A 1 216 ? 21.499 -32.952 -59.364 1.00 41.28 ? 219 THR A O 1 ATOM 1695 C CB . THR A 1 216 ? 20.389 -33.468 -62.206 1.00 42.06 ? 219 THR A CB 1 ATOM 1696 O OG1 . THR A 1 216 ? 19.772 -33.214 -63.479 1.00 42.95 ? 219 THR A OG1 1 ATOM 1697 C CG2 . THR A 1 216 ? 19.631 -34.593 -61.455 1.00 42.47 ? 219 THR A CG2 1 ATOM 1698 N N . ARG A 1 217 ? 19.476 -31.977 -59.165 1.00 40.50 ? 220 ARG A N 1 ATOM 1699 C CA . ARG A 1 217 ? 19.396 -32.105 -57.711 1.00 39.38 ? 220 ARG A CA 1 ATOM 1700 C C . ARG A 1 217 ? 18.050 -32.714 -57.325 1.00 38.68 ? 220 ARG A C 1 ATOM 1701 O O . ARG A 1 217 ? 17.109 -32.624 -58.103 1.00 37.83 ? 220 ARG A O 1 ATOM 1702 C CB . ARG A 1 217 ? 19.547 -30.724 -57.064 1.00 38.99 ? 220 ARG A CB 1 ATOM 1703 C CG . ARG A 1 217 ? 20.799 -29.986 -57.473 1.00 37.32 ? 220 ARG A CG 1 ATOM 1704 C CD . ARG A 1 217 ? 20.861 -28.605 -56.852 1.00 35.65 ? 220 ARG A CD 1 ATOM 1705 N NE . ARG A 1 217 ? 21.854 -27.760 -57.525 1.00 34.30 ? 220 ARG A NE 1 ATOM 1706 C CZ . ARG A 1 217 ? 21.609 -27.005 -58.587 1.00 33.13 ? 220 ARG A CZ 1 ATOM 1707 N NH1 . ARG A 1 217 ? 20.392 -26.955 -59.116 1.00 33.82 ? 220 ARG A NH1 1 ATOM 1708 N NH2 . ARG A 1 217 ? 22.589 -26.294 -59.118 1.00 32.89 ? 220 ARG A NH2 1 ATOM 1709 N N . PRO A 1 218 ? 17.955 -33.342 -56.133 1.00 38.67 ? 221 PRO A N 1 ATOM 1710 C CA . PRO A 1 218 ? 16.631 -33.797 -55.691 1.00 38.66 ? 221 PRO A CA 1 ATOM 1711 C C . PRO A 1 218 ? 15.620 -32.642 -55.593 1.00 39.18 ? 221 PRO A C 1 ATOM 1712 O O . PRO A 1 218 ? 15.961 -31.550 -55.116 1.00 38.50 ? 221 PRO A O 1 ATOM 1713 C CB . PRO A 1 218 ? 16.905 -34.402 -54.305 1.00 38.83 ? 221 PRO A CB 1 ATOM 1714 C CG . PRO A 1 218 ? 18.254 -33.919 -53.905 1.00 38.16 ? 221 PRO A CG 1 ATOM 1715 C CD . PRO A 1 218 ? 19.011 -33.688 -55.155 1.00 38.44 ? 221 PRO A CD 1 ATOM 1716 N N . LYS A 1 219 ? 14.395 -32.865 -56.066 1.00 39.29 ? 222 LYS A N 1 ATOM 1717 C CA . LYS A 1 219 ? 13.360 -31.832 -55.946 1.00 39.68 ? 222 LYS A CA 1 ATOM 1718 C C . LYS A 1 219 ? 13.032 -31.496 -54.477 1.00 39.76 ? 222 LYS A C 1 ATOM 1719 O O . LYS A 1 219 ? 12.733 -32.396 -53.666 1.00 40.42 ? 222 LYS A O 1 ATOM 1720 C CB . LYS A 1 219 ? 12.105 -32.218 -56.718 1.00 39.30 ? 222 LYS A CB 1 ATOM 1721 C CG . LYS A 1 219 ? 12.293 -32.135 -58.223 1.00 40.80 ? 222 LYS A CG 1 ATOM 1722 C CD . LYS A 1 219 ? 11.023 -32.538 -58.948 1.00 42.28 ? 222 LYS A CD 1 ATOM 1723 C CE . LYS A 1 219 ? 11.271 -32.759 -60.426 1.00 44.71 ? 222 LYS A CE 1 ATOM 1724 N NZ . LYS A 1 219 ? 11.618 -31.490 -61.141 1.00 48.71 ? 222 LYS A NZ 1 ATOM 1725 N N . VAL A 1 220 ? 13.137 -30.208 -54.141 1.00 38.71 ? 223 VAL A N 1 ATOM 1726 C CA . VAL A 1 220 ? 12.659 -29.670 -52.864 1.00 38.05 ? 223 VAL A CA 1 ATOM 1727 C C . VAL A 1 220 ? 11.565 -28.665 -53.233 1.00 38.04 ? 223 VAL A C 1 ATOM 1728 O O . VAL A 1 220 ? 11.778 -27.779 -54.080 1.00 37.60 ? 223 VAL A O 1 ATOM 1729 C CB . VAL A 1 220 ? 13.802 -28.996 -52.053 1.00 38.17 ? 223 VAL A CB 1 ATOM 1730 C CG1 . VAL A 1 220 ? 13.272 -28.299 -50.796 1.00 38.32 ? 223 VAL A CG1 1 ATOM 1731 C CG2 . VAL A 1 220 ? 14.889 -30.023 -51.678 1.00 37.79 ? 223 VAL A CG2 1 ATOM 1732 N N . ASN A 1 221 ? 10.385 -28.824 -52.626 1.00 37.99 ? 224 ASN A N 1 ATOM 1733 C CA . ASN A 1 221 ? 9.170 -28.078 -53.016 1.00 37.67 ? 224 ASN A CA 1 ATOM 1734 C C . ASN A 1 221 ? 8.893 -28.094 -54.500 1.00 37.14 ? 224 ASN A C 1 ATOM 1735 O O . ASN A 1 221 ? 8.410 -27.100 -55.031 1.00 38.30 ? 224 ASN A O 1 ATOM 1736 C CB . ASN A 1 221 ? 9.235 -26.614 -52.574 1.00 38.06 ? 224 ASN A CB 1 ATOM 1737 C CG . ASN A 1 221 ? 9.371 -26.453 -51.084 1.00 39.35 ? 224 ASN A CG 1 ATOM 1738 O OD1 . ASN A 1 221 ? 8.950 -27.314 -50.302 1.00 41.94 ? 224 ASN A OD1 1 ATOM 1739 N ND2 . ASN A 1 221 ? 9.964 -25.336 -50.674 1.00 38.71 ? 224 ASN A ND2 1 ATOM 1740 N N . GLY A 1 222 ? 9.211 -29.194 -55.179 1.00 36.67 ? 225 GLY A N 1 ATOM 1741 C CA . GLY A 1 222 ? 8.973 -29.317 -56.617 1.00 35.10 ? 225 GLY A CA 1 ATOM 1742 C C . GLY A 1 222 ? 10.087 -28.801 -57.517 1.00 35.12 ? 225 GLY A C 1 ATOM 1743 O O . GLY A 1 222 ? 9.959 -28.870 -58.743 1.00 35.28 ? 225 GLY A O 1 ATOM 1744 N N . GLN A 1 223 ? 11.177 -28.291 -56.930 1.00 34.51 ? 226 GLN A N 1 ATOM 1745 C CA . GLN A 1 223 ? 12.247 -27.644 -57.705 1.00 34.06 ? 226 GLN A CA 1 ATOM 1746 C C . GLN A 1 223 ? 13.612 -28.311 -57.592 1.00 33.66 ? 226 GLN A C 1 ATOM 1747 O O . GLN A 1 223 ? 14.123 -28.528 -56.488 1.00 33.22 ? 226 GLN A O 1 ATOM 1748 C CB . GLN A 1 223 ? 12.392 -26.164 -57.312 1.00 34.30 ? 226 GLN A CB 1 ATOM 1749 C CG . GLN A 1 223 ? 11.138 -25.313 -57.528 1.00 34.94 ? 226 GLN A CG 1 ATOM 1750 C CD . GLN A 1 223 ? 10.588 -25.419 -58.941 1.00 38.00 ? 226 GLN A CD 1 ATOM 1751 O OE1 . GLN A 1 223 ? 11.333 -25.340 -59.912 1.00 38.79 ? 226 GLN A OE1 1 ATOM 1752 N NE2 . GLN A 1 223 ? 9.271 -25.613 -59.059 1.00 40.47 ? 226 GLN A NE2 1 ATOM 1753 N N . GLY A 1 224 ? 14.205 -28.608 -58.741 1.00 33.47 ? 227 GLY A N 1 ATOM 1754 C CA . GLY A 1 224 ? 15.595 -29.073 -58.790 1.00 34.00 ? 227 GLY A CA 1 ATOM 1755 C C . GLY A 1 224 ? 16.615 -27.943 -58.672 1.00 33.70 ? 227 GLY A C 1 ATOM 1756 O O . GLY A 1 224 ? 17.749 -28.168 -58.236 1.00 34.38 ? 227 GLY A O 1 ATOM 1757 N N . GLY A 1 225 ? 16.209 -26.733 -59.063 1.00 33.34 ? 228 GLY A N 1 ATOM 1758 C CA . GLY A 1 225 ? 17.046 -25.542 -58.972 1.00 32.37 ? 228 GLY A CA 1 ATOM 1759 C C . GLY A 1 225 ? 17.180 -25.048 -57.543 1.00 32.59 ? 228 GLY A C 1 ATOM 1760 O O . GLY A 1 225 ? 16.468 -25.516 -56.641 1.00 32.73 ? 228 GLY A O 1 ATOM 1761 N N . ARG A 1 226 ? 18.104 -24.118 -57.323 1.00 31.40 ? 229 ARG A N 1 ATOM 1762 C CA . ARG A 1 226 ? 18.345 -23.587 -55.981 1.00 31.37 ? 229 ARG A CA 1 ATOM 1763 C C . ARG A 1 226 ? 18.644 -22.099 -56.060 1.00 30.54 ? 229 ARG A C 1 ATOM 1764 O O . ARG A 1 226 ? 19.213 -21.619 -57.034 1.00 29.88 ? 229 ARG A O 1 ATOM 1765 C CB . ARG A 1 226 ? 19.518 -24.296 -55.256 1.00 30.88 ? 229 ARG A CB 1 ATOM 1766 C CG . ARG A 1 226 ? 19.362 -25.821 -55.061 1.00 32.00 ? 229 ARG A CG 1 ATOM 1767 C CD . ARG A 1 226 ? 18.442 -26.206 -53.898 1.00 32.15 ? 229 ARG A CD 1 ATOM 1768 N NE . ARG A 1 226 ? 18.431 -27.658 -53.715 1.00 32.57 ? 229 ARG A NE 1 ATOM 1769 C CZ . ARG A 1 226 ? 17.601 -28.511 -54.318 1.00 32.64 ? 229 ARG A CZ 1 ATOM 1770 N NH1 . ARG A 1 226 ? 16.675 -28.097 -55.188 1.00 30.41 ? 229 ARG A NH1 1 ATOM 1771 N NH2 . ARG A 1 226 ? 17.735 -29.805 -54.069 1.00 33.18 ? 229 ARG A NH2 1 ATOM 1772 N N . MET A 1 227 ? 18.248 -21.387 -55.016 1.00 30.51 ? 230 MET A N 1 ATOM 1773 C CA . MET A 1 227 ? 18.642 -20.000 -54.857 1.00 30.80 ? 230 MET A CA 1 ATOM 1774 C C . MET A 1 227 ? 19.500 -19.837 -53.615 1.00 30.14 ? 230 MET A C 1 ATOM 1775 O O . MET A 1 227 ? 19.095 -20.161 -52.507 1.00 29.53 ? 230 MET A O 1 ATOM 1776 C CB . MET A 1 227 ? 17.422 -19.071 -54.836 1.00 30.64 ? 230 MET A CB 1 ATOM 1777 C CG . MET A 1 227 ? 16.813 -18.871 -56.198 1.00 30.13 ? 230 MET A CG 1 ATOM 1778 S SD . MET A 1 227 ? 15.293 -17.942 -56.119 1.00 31.51 ? 230 MET A SD 1 ATOM 1779 C CE . MET A 1 227 ? 14.734 -18.166 -57.806 1.00 28.99 ? 230 MET A CE 1 ATOM 1780 N N . GLU A 1 228 ? 20.706 -19.346 -53.852 1.00 30.68 ? 231 GLU A N 1 ATOM 1781 C CA . GLU A 1 228 ? 21.701 -19.108 -52.832 1.00 31.26 ? 231 GLU A CA 1 ATOM 1782 C C . GLU A 1 228 ? 21.686 -17.626 -52.501 1.00 30.18 ? 231 GLU A C 1 ATOM 1783 O O . GLU A 1 228 ? 22.012 -16.789 -53.343 1.00 29.12 ? 231 GLU A O 1 ATOM 1784 C CB . GLU A 1 228 ? 23.094 -19.502 -53.364 1.00 30.48 ? 231 GLU A CB 1 ATOM 1785 C CG . GLU A 1 228 ? 24.199 -19.300 -52.362 1.00 33.14 ? 231 GLU A CG 1 ATOM 1786 C CD . GLU A 1 228 ? 25.586 -19.497 -52.971 1.00 34.67 ? 231 GLU A CD 1 ATOM 1787 O OE1 . GLU A 1 228 ? 25.678 -20.174 -54.028 1.00 39.80 ? 231 GLU A OE1 1 ATOM 1788 O OE2 . GLU A 1 228 ? 26.578 -18.976 -52.393 1.00 37.37 ? 231 GLU A OE2 1 ATOM 1789 N N . PHE A 1 229 ? 21.320 -17.319 -51.266 1.00 29.84 ? 232 PHE A N 1 ATOM 1790 C CA . PHE A 1 229 ? 21.216 -15.950 -50.819 1.00 29.18 ? 232 PHE A CA 1 ATOM 1791 C C . PHE A 1 229 ? 22.419 -15.572 -49.969 1.00 29.75 ? 232 PHE A C 1 ATOM 1792 O O . PHE A 1 229 ? 22.948 -16.395 -49.212 1.00 28.85 ? 232 PHE A O 1 ATOM 1793 C CB . PHE A 1 229 ? 19.930 -15.737 -50.018 1.00 29.34 ? 232 PHE A CB 1 ATOM 1794 C CG . PHE A 1 229 ? 18.695 -15.848 -50.840 1.00 28.92 ? 232 PHE A CG 1 ATOM 1795 C CD1 . PHE A 1 229 ? 18.271 -14.779 -51.617 1.00 30.25 ? 232 PHE A CD1 1 ATOM 1796 C CD2 . PHE A 1 229 ? 17.958 -17.032 -50.857 1.00 29.14 ? 232 PHE A CD2 1 ATOM 1797 C CE1 . PHE A 1 229 ? 17.117 -14.886 -52.433 1.00 28.28 ? 232 PHE A CE1 1 ATOM 1798 C CE2 . PHE A 1 229 ? 16.790 -17.150 -51.660 1.00 30.23 ? 232 PHE A CE2 1 ATOM 1799 C CZ . PHE A 1 229 ? 16.378 -16.070 -52.442 1.00 28.59 ? 232 PHE A CZ 1 ATOM 1800 N N . SER A 1 230 ? 22.841 -14.323 -50.114 1.00 29.41 ? 233 SER A N 1 ATOM 1801 C CA . SER A 1 230 ? 23.873 -13.734 -49.269 1.00 29.95 ? 233 SER A CA 1 ATOM 1802 C C . SER A 1 230 ? 23.351 -12.419 -48.729 1.00 30.31 ? 233 SER A C 1 ATOM 1803 O O . SER A 1 230 ? 22.334 -11.941 -49.172 1.00 30.14 ? 233 SER A O 1 ATOM 1804 C CB . SER A 1 230 ? 25.146 -13.488 -50.079 1.00 28.86 ? 233 SER A CB 1 ATOM 1805 O OG . SER A 1 230 ? 25.553 -14.683 -50.715 1.00 30.94 ? 233 SER A OG 1 ATOM 1806 N N . TRP A 1 231 ? 24.061 -11.845 -47.761 1.00 32.02 ? 234 TRP A N 1 ATOM 1807 C CA . TRP A 1 231 ? 23.702 -10.573 -47.190 1.00 32.44 ? 234 TRP A CA 1 ATOM 1808 C C . TRP A 1 231 ? 24.949 -9.763 -46.812 1.00 33.47 ? 234 TRP A C 1 ATOM 1809 O O . TRP A 1 231 ? 26.081 -10.296 -46.722 1.00 33.27 ? 234 TRP A O 1 ATOM 1810 C CB . TRP A 1 231 ? 22.771 -10.781 -45.986 1.00 32.86 ? 234 TRP A CB 1 ATOM 1811 C CG . TRP A 1 231 ? 23.441 -11.462 -44.835 1.00 33.10 ? 234 TRP A CG 1 ATOM 1812 C CD1 . TRP A 1 231 ? 23.628 -12.812 -44.673 1.00 32.80 ? 234 TRP A CD1 1 ATOM 1813 C CD2 . TRP A 1 231 ? 24.054 -10.830 -43.694 1.00 34.74 ? 234 TRP A CD2 1 ATOM 1814 N NE1 . TRP A 1 231 ? 24.312 -13.049 -43.503 1.00 33.47 ? 234 TRP A NE1 1 ATOM 1815 C CE2 . TRP A 1 231 ? 24.576 -11.855 -42.880 1.00 33.97 ? 234 TRP A CE2 1 ATOM 1816 C CE3 . TRP A 1 231 ? 24.187 -9.496 -43.270 1.00 34.99 ? 234 TRP A CE3 1 ATOM 1817 C CZ2 . TRP A 1 231 ? 25.233 -11.588 -41.659 1.00 34.72 ? 234 TRP A CZ2 1 ATOM 1818 C CZ3 . TRP A 1 231 ? 24.853 -9.236 -42.071 1.00 35.01 ? 234 TRP A CZ3 1 ATOM 1819 C CH2 . TRP A 1 231 ? 25.357 -10.280 -41.274 1.00 32.89 ? 234 TRP A CH2 1 ATOM 1820 N N . THR A 1 232 ? 24.733 -8.465 -46.628 1.00 33.81 ? 235 THR A N 1 ATOM 1821 C CA . THR A 1 232 ? 25.731 -7.557 -46.089 1.00 34.52 ? 235 THR A CA 1 ATOM 1822 C C . THR A 1 232 ? 25.040 -6.470 -45.268 1.00 34.83 ? 235 THR A C 1 ATOM 1823 O O . THR A 1 232 ? 23.833 -6.217 -45.419 1.00 34.32 ? 235 THR A O 1 ATOM 1824 C CB . THR A 1 232 ? 26.639 -6.944 -47.184 1.00 34.89 ? 235 THR A CB 1 ATOM 1825 O OG1 . THR A 1 232 ? 27.791 -6.333 -46.569 1.00 37.74 ? 235 THR A OG1 1 ATOM 1826 C CG2 . THR A 1 232 ? 25.892 -5.908 -48.057 1.00 35.51 ? 235 THR A CG2 1 ATOM 1827 N N . LEU A 1 233 ? 25.807 -5.860 -44.373 1.00 34.81 ? 236 LEU A N 1 ATOM 1828 C CA . LEU A 1 233 ? 25.376 -4.674 -43.680 1.00 35.21 ? 236 LEU A CA 1 ATOM 1829 C C . LEU A 1 233 ? 26.114 -3.498 -44.334 1.00 35.12 ? 236 LEU A C 1 ATOM 1830 O O . LEU A 1 233 ? 27.317 -3.308 -44.137 1.00 35.42 ? 236 LEU A O 1 ATOM 1831 C CB . LEU A 1 233 ? 25.643 -4.815 -42.170 1.00 35.64 ? 236 LEU A CB 1 ATOM 1832 C CG . LEU A 1 233 ? 24.925 -3.917 -41.154 1.00 36.76 ? 236 LEU A CG 1 ATOM 1833 C CD1 . LEU A 1 233 ? 23.381 -3.984 -41.277 1.00 38.45 ? 236 LEU A CD1 1 ATOM 1834 C CD2 . LEU A 1 233 ? 25.358 -4.272 -39.742 1.00 36.14 ? 236 LEU A CD2 1 ATOM 1835 N N . LEU A 1 234 ? 25.396 -2.749 -45.170 1.00 34.43 ? 237 LEU A N 1 ATOM 1836 C CA . LEU A 1 234 ? 25.962 -1.633 -45.910 1.00 33.96 ? 237 LEU A CA 1 ATOM 1837 C C . LEU A 1 234 ? 26.115 -0.440 -44.974 1.00 34.86 ? 237 LEU A C 1 ATOM 1838 O O . LEU A 1 234 ? 25.142 -0.006 -44.332 1.00 33.89 ? 237 LEU A O 1 ATOM 1839 C CB . LEU A 1 234 ? 25.081 -1.271 -47.108 1.00 33.22 ? 237 LEU A CB 1 ATOM 1840 C CG . LEU A 1 234 ? 25.575 -0.258 -48.146 1.00 34.43 ? 237 LEU A CG 1 ATOM 1841 C CD1 . LEU A 1 234 ? 26.765 -0.824 -48.943 1.00 34.45 ? 237 LEU A CD1 1 ATOM 1842 C CD2 . LEU A 1 234 ? 24.463 0.109 -49.084 1.00 32.87 ? 237 LEU A CD2 1 ATOM 1843 N N . ASP A 1 235 ? 27.337 0.088 -44.893 1.00 35.20 ? 238 ASP A N 1 ATOM 1844 C CA . ASP A 1 235 ? 27.596 1.234 -44.027 1.00 36.84 ? 238 ASP A CA 1 ATOM 1845 C C . ASP A 1 235 ? 26.933 2.496 -44.570 1.00 36.50 ? 238 ASP A C 1 ATOM 1846 O O . ASP A 1 235 ? 26.723 2.632 -45.775 1.00 35.73 ? 238 ASP A O 1 ATOM 1847 C CB . ASP A 1 235 ? 29.102 1.483 -43.873 1.00 37.35 ? 238 ASP A CB 1 ATOM 1848 C CG . ASP A 1 235 ? 29.795 0.417 -43.055 1.00 40.43 ? 238 ASP A CG 1 ATOM 1849 O OD1 . ASP A 1 235 ? 29.143 -0.262 -42.220 1.00 42.52 ? 238 ASP A OD1 1 ATOM 1850 O OD2 . ASP A 1 235 ? 31.020 0.266 -43.261 1.00 44.69 ? 238 ASP A OD2 1 ATOM 1851 N N . MET A 1 236 ? 26.616 3.418 -43.665 1.00 37.15 ? 239 MET A N 1 ATOM 1852 C CA . MET A 1 236 ? 26.201 4.769 -44.045 1.00 37.96 ? 239 MET A CA 1 ATOM 1853 C C . MET A 1 236 ? 27.171 5.378 -45.052 1.00 37.27 ? 239 MET A C 1 ATOM 1854 O O . MET A 1 236 ? 28.392 5.340 -44.857 1.00 37.48 ? 239 MET A O 1 ATOM 1855 C CB . MET A 1 236 ? 26.113 5.669 -42.815 1.00 37.01 ? 239 MET A CB 1 ATOM 1856 C CG . MET A 1 236 ? 25.403 5.026 -41.643 1.00 39.01 ? 239 MET A CG 1 ATOM 1857 S SD . MET A 1 236 ? 25.338 6.049 -40.163 1.00 42.36 ? 239 MET A SD 1 ATOM 1858 C CE . MET A 1 236 ? 27.079 6.172 -39.703 1.00 44.41 ? 239 MET A CE 1 ATOM 1859 N N . TRP A 1 237 ? 26.605 5.951 -46.113 1.00 36.88 ? 240 TRP A N 1 ATOM 1860 C CA . TRP A 1 237 ? 27.325 6.646 -47.180 1.00 36.57 ? 240 TRP A CA 1 ATOM 1861 C C . TRP A 1 237 ? 28.133 5.728 -48.104 1.00 36.21 ? 240 TRP A C 1 ATOM 1862 O O . TRP A 1 237 ? 28.735 6.202 -49.072 1.00 36.05 ? 240 TRP A O 1 ATOM 1863 C CB . TRP A 1 237 ? 28.169 7.803 -46.625 1.00 37.37 ? 240 TRP A CB 1 ATOM 1864 C CG . TRP A 1 237 ? 27.541 8.467 -45.408 1.00 37.78 ? 240 TRP A CG 1 ATOM 1865 C CD1 . TRP A 1 237 ? 28.011 8.442 -44.114 1.00 37.25 ? 240 TRP A CD1 1 ATOM 1866 C CD2 . TRP A 1 237 ? 26.318 9.212 -45.377 1.00 37.11 ? 240 TRP A CD2 1 ATOM 1867 N NE1 . TRP A 1 237 ? 27.160 9.141 -43.290 1.00 38.52 ? 240 TRP A NE1 1 ATOM 1868 C CE2 . TRP A 1 237 ? 26.117 9.630 -44.039 1.00 38.55 ? 240 TRP A CE2 1 ATOM 1869 C CE3 . TRP A 1 237 ? 25.374 9.572 -46.352 1.00 37.90 ? 240 TRP A CE3 1 ATOM 1870 C CZ2 . TRP A 1 237 ? 25.005 10.387 -43.647 1.00 37.98 ? 240 TRP A CZ2 1 ATOM 1871 C CZ3 . TRP A 1 237 ? 24.266 10.329 -45.965 1.00 38.10 ? 240 TRP A CZ3 1 ATOM 1872 C CH2 . TRP A 1 237 ? 24.091 10.721 -44.620 1.00 38.23 ? 240 TRP A CH2 1 ATOM 1873 N N . ASP A 1 238 ? 28.124 4.422 -47.824 1.00 35.59 ? 241 ASP A N 1 ATOM 1874 C CA . ASP A 1 238 ? 28.682 3.438 -48.747 1.00 34.89 ? 241 ASP A CA 1 ATOM 1875 C C . ASP A 1 238 ? 27.637 3.076 -49.807 1.00 34.89 ? 241 ASP A C 1 ATOM 1876 O O . ASP A 1 238 ? 26.427 3.150 -49.560 1.00 34.54 ? 241 ASP A O 1 ATOM 1877 C CB . ASP A 1 238 ? 29.223 2.192 -48.007 1.00 34.42 ? 241 ASP A CB 1 ATOM 1878 C CG . ASP A 1 238 ? 30.212 1.346 -48.865 1.00 34.84 ? 241 ASP A CG 1 ATOM 1879 O OD1 . ASP A 1 238 ? 30.652 1.785 -49.945 1.00 34.08 ? 241 ASP A OD1 1 ATOM 1880 O OD2 . ASP A 1 238 ? 30.564 0.217 -48.453 1.00 36.46 ? 241 ASP A OD2 1 ATOM 1881 N N . THR A 1 239 ? 28.134 2.729 -50.996 1.00 34.68 ? 242 THR A N 1 ATOM 1882 C CA . THR A 1 239 ? 27.346 2.315 -52.144 1.00 34.53 ? 242 THR A CA 1 ATOM 1883 C C . THR A 1 239 ? 27.471 0.807 -52.387 1.00 34.29 ? 242 THR A C 1 ATOM 1884 O O . THR A 1 239 ? 28.568 0.240 -52.299 1.00 33.35 ? 242 THR A O 1 ATOM 1885 C CB . THR A 1 239 ? 27.799 3.093 -53.394 1.00 34.76 ? 242 THR A CB 1 ATOM 1886 O OG1 . THR A 1 239 ? 27.530 4.487 -53.197 1.00 36.28 ? 242 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 239 ? 27.072 2.636 -54.648 1.00 35.54 ? 242 THR A CG2 1 ATOM 1888 N N . ILE A 1 240 ? 26.336 0.155 -52.657 1.00 34.04 ? 243 ILE A N 1 ATOM 1889 C CA . ILE A 1 240 ? 26.354 -1.233 -53.135 1.00 33.37 ? 243 ILE A CA 1 ATOM 1890 C C . ILE A 1 240 ? 26.097 -1.233 -54.643 1.00 33.52 ? 243 ILE A C 1 ATOM 1891 O O . ILE A 1 240 ? 25.255 -0.485 -55.124 1.00 34.28 ? 243 ILE A O 1 ATOM 1892 C CB . ILE A 1 240 ? 25.364 -2.160 -52.345 1.00 33.34 ? 243 ILE A CB 1 ATOM 1893 C CG1 . ILE A 1 240 ? 25.553 -3.634 -52.745 1.00 30.93 ? 243 ILE A CG1 1 ATOM 1894 C CG2 . ILE A 1 240 ? 23.900 -1.704 -52.524 1.00 32.57 ? 243 ILE A CG2 1 ATOM 1895 C CD1 . ILE A 1 240 ? 24.972 -4.640 -51.734 1.00 33.19 ? 243 ILE A CD1 1 ATOM 1896 N N . ASN A 1 241 ? 26.859 -2.032 -55.388 1.00 34.09 ? 244 ASN A N 1 ATOM 1897 C CA . ASN A 1 241 ? 26.710 -2.153 -56.844 1.00 34.10 ? 244 ASN A CA 1 ATOM 1898 C C . ASN A 1 241 ? 26.412 -3.602 -57.241 1.00 34.08 ? 244 ASN A C 1 ATOM 1899 O O . ASN A 1 241 ? 27.140 -4.502 -56.839 1.00 34.30 ? 244 ASN A O 1 ATOM 1900 C CB . ASN A 1 241 ? 28.000 -1.720 -57.564 1.00 34.59 ? 244 ASN A CB 1 ATOM 1901 C CG . ASN A 1 241 ? 28.246 -0.215 -57.506 1.00 35.67 ? 244 ASN A CG 1 ATOM 1902 O OD1 . ASN A 1 241 ? 27.516 0.574 -58.090 1.00 40.49 ? 244 ASN A OD1 1 ATOM 1903 N ND2 . ASN A 1 241 ? 29.286 0.175 -56.823 1.00 36.39 ? 244 ASN A ND2 1 ATOM 1904 N N . PHE A 1 242 ? 25.372 -3.818 -58.044 1.00 33.46 ? 245 PHE A N 1 ATOM 1905 C CA . PHE A 1 242 ? 25.037 -5.159 -58.525 1.00 33.97 ? 245 PHE A CA 1 ATOM 1906 C C . PHE A 1 242 ? 25.352 -5.202 -60.008 1.00 34.48 ? 245 PHE A C 1 ATOM 1907 O O . PHE A 1 242 ? 25.184 -4.206 -60.705 1.00 33.62 ? 245 PHE A O 1 ATOM 1908 C CB . PHE A 1 242 ? 23.542 -5.510 -58.291 1.00 32.92 ? 245 PHE A CB 1 ATOM 1909 C CG . PHE A 1 242 ? 23.173 -5.648 -56.837 1.00 33.59 ? 245 PHE A CG 1 ATOM 1910 C CD1 . PHE A 1 242 ? 23.348 -6.867 -56.167 1.00 33.81 ? 245 PHE A CD1 1 ATOM 1911 C CD2 . PHE A 1 242 ? 22.678 -4.553 -56.118 1.00 32.37 ? 245 PHE A CD2 1 ATOM 1912 C CE1 . PHE A 1 242 ? 23.029 -7.002 -54.809 1.00 31.16 ? 245 PHE A CE1 1 ATOM 1913 C CE2 . PHE A 1 242 ? 22.353 -4.679 -54.762 1.00 32.30 ? 245 PHE A CE2 1 ATOM 1914 C CZ . PHE A 1 242 ? 22.533 -5.909 -54.107 1.00 31.38 ? 245 PHE A CZ 1 ATOM 1915 N N . GLU A 1 243 ? 25.796 -6.359 -60.489 1.00 35.11 ? 246 GLU A N 1 ATOM 1916 C CA . GLU A 1 243 ? 26.104 -6.494 -61.899 1.00 37.34 ? 246 GLU A CA 1 ATOM 1917 C C . GLU A 1 243 ? 25.916 -7.951 -62.335 1.00 36.72 ? 246 GLU A C 1 ATOM 1918 O O . GLU A 1 243 ? 26.465 -8.860 -61.718 1.00 37.20 ? 246 GLU A O 1 ATOM 1919 C CB . GLU A 1 243 ? 27.540 -6.003 -62.139 1.00 36.94 ? 246 GLU A CB 1 ATOM 1920 C CG . GLU A 1 243 ? 27.942 -5.793 -63.578 1.00 39.63 ? 246 GLU A CG 1 ATOM 1921 C CD . GLU A 1 243 ? 29.459 -5.590 -63.696 1.00 40.45 ? 246 GLU A CD 1 ATOM 1922 O OE1 . GLU A 1 243 ? 29.973 -4.559 -63.183 1.00 43.71 ? 246 GLU A OE1 1 ATOM 1923 O OE2 . GLU A 1 243 ? 30.137 -6.476 -64.285 1.00 45.74 ? 246 GLU A OE2 1 ATOM 1924 N N . SER A 1 244 ? 25.147 -8.170 -63.399 1.00 37.02 ? 247 SER A N 1 ATOM 1925 C CA . SER A 1 244 ? 24.843 -9.533 -63.804 1.00 37.11 ? 247 SER A CA 1 ATOM 1926 C C . SER A 1 244 ? 24.501 -9.684 -65.264 1.00 36.36 ? 247 SER A C 1 ATOM 1927 O O . SER A 1 244 ? 23.784 -8.874 -65.824 1.00 36.22 ? 247 SER A O 1 ATOM 1928 C CB . SER A 1 244 ? 23.704 -10.107 -62.934 1.00 37.49 ? 247 SER A CB 1 ATOM 1929 O OG . SER A 1 244 ? 23.252 -11.381 -63.399 1.00 38.84 ? 247 SER A OG 1 ATOM 1930 N N . THR A 1 245 ? 25.015 -10.761 -65.861 1.00 36.63 ? 248 THR A N 1 ATOM 1931 C CA . THR A 1 245 ? 24.578 -11.222 -67.191 1.00 36.61 ? 248 THR A CA 1 ATOM 1932 C C . THR A 1 245 ? 23.513 -12.325 -67.097 1.00 35.99 ? 248 THR A C 1 ATOM 1933 O O . THR A 1 245 ? 23.113 -12.929 -68.101 1.00 36.75 ? 248 THR A O 1 ATOM 1934 C CB . THR A 1 245 ? 25.763 -11.729 -68.018 1.00 36.81 ? 248 THR A CB 1 ATOM 1935 O OG1 . THR A 1 245 ? 26.577 -12.575 -67.211 1.00 36.78 ? 248 THR A OG1 1 ATOM 1936 C CG2 . THR A 1 245 ? 26.599 -10.556 -68.516 1.00 37.96 ? 248 THR A CG2 1 ATOM 1937 N N . GLY A 1 246 ? 23.069 -12.588 -65.878 1.00 35.33 ? 249 GLY A N 1 ATOM 1938 C CA . GLY A 1 246 ? 22.012 -13.553 -65.625 1.00 33.91 ? 249 GLY A CA 1 ATOM 1939 C C . GLY A 1 246 ? 22.104 -14.196 -64.269 1.00 33.09 ? 249 GLY A C 1 ATOM 1940 O O . GLY A 1 246 ? 23.181 -14.276 -63.660 1.00 33.06 ? 249 GLY A O 1 ATOM 1941 N N . ASN A 1 247 ? 20.949 -14.670 -63.804 1.00 33.05 ? 250 ASN A N 1 ATOM 1942 C CA . ASN A 1 247 ? 20.836 -15.468 -62.583 1.00 31.59 ? 250 ASN A CA 1 ATOM 1943 C C . ASN A 1 247 ? 20.739 -14.683 -61.281 1.00 31.48 ? 250 ASN A C 1 ATOM 1944 O O . ASN A 1 247 ? 20.639 -15.263 -60.191 1.00 31.49 ? 250 ASN A O 1 ATOM 1945 C CB . ASN A 1 247 ? 21.922 -16.551 -62.539 1.00 31.10 ? 250 ASN A CB 1 ATOM 1946 C CG . ASN A 1 247 ? 21.849 -17.500 -63.746 1.00 31.09 ? 250 ASN A CG 1 ATOM 1947 O OD1 . ASN A 1 247 ? 22.128 -17.110 -64.903 1.00 28.77 ? 250 ASN A OD1 1 ATOM 1948 N ND2 . ASN A 1 247 ? 21.445 -18.741 -63.486 1.00 29.22 ? 250 ASN A ND2 1 ATOM 1949 N N . LEU A 1 248 ? 20.715 -13.357 -61.402 1.00 31.38 ? 251 LEU A N 1 ATOM 1950 C CA . LEU A 1 248 ? 20.606 -12.475 -60.244 1.00 30.01 ? 251 LEU A CA 1 ATOM 1951 C C . LEU A 1 248 ? 19.200 -12.401 -59.657 1.00 30.40 ? 251 LEU A C 1 ATOM 1952 O O . LEU A 1 248 ? 18.214 -12.138 -60.370 1.00 29.63 ? 251 LEU A O 1 ATOM 1953 C CB . LEU A 1 248 ? 21.104 -11.056 -60.599 1.00 30.50 ? 251 LEU A CB 1 ATOM 1954 C CG . LEU A 1 248 ? 20.822 -9.899 -59.620 1.00 27.89 ? 251 LEU A CG 1 ATOM 1955 C CD1 . LEU A 1 248 ? 21.558 -10.056 -58.284 1.00 26.87 ? 251 LEU A CD1 1 ATOM 1956 C CD2 . LEU A 1 248 ? 21.189 -8.570 -60.259 1.00 29.31 ? 251 LEU A CD2 1 ATOM 1957 N N . ILE A 1 249 ? 19.120 -12.610 -58.340 1.00 30.12 ? 252 ILE A N 1 ATOM 1958 C CA . ILE A 1 249 ? 17.910 -12.333 -57.579 1.00 29.77 ? 252 ILE A CA 1 ATOM 1959 C C . ILE A 1 249 ? 18.207 -11.042 -56.821 1.00 29.59 ? 252 ILE A C 1 ATOM 1960 O O . ILE A 1 249 ? 18.954 -11.044 -55.837 1.00 29.97 ? 252 ILE A O 1 ATOM 1961 C CB . ILE A 1 249 ? 17.520 -13.529 -56.621 1.00 29.90 ? 252 ILE A CB 1 ATOM 1962 C CG1 . ILE A 1 249 ? 17.527 -14.882 -57.367 1.00 30.10 ? 252 ILE A CG1 1 ATOM 1963 C CG2 . ILE A 1 249 ? 16.178 -13.289 -55.944 1.00 29.13 ? 252 ILE A CG2 1 ATOM 1964 C CD1 . ILE A 1 249 ? 16.515 -15.009 -58.565 1.00 27.35 ? 252 ILE A CD1 1 ATOM 1965 N N . ALA A 1 250 ? 17.667 -9.929 -57.316 1.00 29.00 ? 253 ALA A N 1 ATOM 1966 C CA . ALA A 1 250 ? 17.968 -8.604 -56.741 1.00 27.95 ? 253 ALA A CA 1 ATOM 1967 C C . ALA A 1 250 ? 17.065 -8.287 -55.566 1.00 27.70 ? 253 ALA A C 1 ATOM 1968 O O . ALA A 1 250 ? 15.911 -8.732 -55.533 1.00 26.68 ? 253 ALA A O 1 ATOM 1969 C CB . ALA A 1 250 ? 17.863 -7.518 -57.791 1.00 27.75 ? 253 ALA A CB 1 ATOM 1970 N N . PRO A 1 251 ? 17.595 -7.557 -54.561 1.00 27.40 ? 254 PRO A N 1 ATOM 1971 C CA . PRO A 1 251 ? 16.676 -6.996 -53.558 1.00 27.44 ? 254 PRO A CA 1 ATOM 1972 C C . PRO A 1 251 ? 15.906 -5.826 -54.183 1.00 27.92 ? 254 PRO A C 1 ATOM 1973 O O . PRO A 1 251 ? 16.443 -5.141 -55.068 1.00 27.37 ? 254 PRO A O 1 ATOM 1974 C CB . PRO A 1 251 ? 17.616 -6.452 -52.479 1.00 27.61 ? 254 PRO A CB 1 ATOM 1975 C CG . PRO A 1 251 ? 18.924 -6.106 -53.279 1.00 27.31 ? 254 PRO A CG 1 ATOM 1976 C CD . PRO A 1 251 ? 19.014 -7.222 -54.294 1.00 27.79 ? 254 PRO A CD 1 ATOM 1977 N N . GLU A 1 252 ? 14.667 -5.622 -53.749 1.00 27.91 ? 255 GLU A N 1 ATOM 1978 C CA . GLU A 1 252 ? 13.982 -4.368 -54.004 1.00 29.18 ? 255 GLU A CA 1 ATOM 1979 C C . GLU A 1 252 ? 14.146 -3.454 -52.791 1.00 28.46 ? 255 GLU A C 1 ATOM 1980 O O . GLU A 1 252 ? 14.086 -2.225 -52.922 1.00 28.42 ? 255 GLU A O 1 ATOM 1981 C CB . GLU A 1 252 ? 12.483 -4.563 -54.361 1.00 29.10 ? 255 GLU A CB 1 ATOM 1982 C CG . GLU A 1 252 ? 11.882 -3.233 -54.867 1.00 30.68 ? 255 GLU A CG 1 ATOM 1983 C CD . GLU A 1 252 ? 10.487 -3.319 -55.473 1.00 32.08 ? 255 GLU A CD 1 ATOM 1984 O OE1 . GLU A 1 252 ? 9.753 -4.297 -55.161 1.00 33.99 ? 255 GLU A OE1 1 ATOM 1985 O OE2 . GLU A 1 252 ? 10.136 -2.366 -56.248 1.00 32.20 ? 255 GLU A OE2 1 ATOM 1986 N N . TYR A 1 253 ? 14.358 -4.062 -51.619 1.00 27.81 ? 256 TYR A N 1 ATOM 1987 C CA . TYR A 1 253 ? 14.406 -3.352 -50.344 1.00 27.88 ? 256 TYR A CA 1 ATOM 1988 C C . TYR A 1 253 ? 15.741 -3.490 -49.605 1.00 28.09 ? 256 TYR A C 1 ATOM 1989 O O . TYR A 1 253 ? 16.583 -4.296 -49.979 1.00 28.27 ? 256 TYR A O 1 ATOM 1990 C CB . TYR A 1 253 ? 13.274 -3.827 -49.420 1.00 28.48 ? 256 TYR A CB 1 ATOM 1991 C CG . TYR A 1 253 ? 11.910 -3.592 -50.003 1.00 29.13 ? 256 TYR A CG 1 ATOM 1992 C CD1 . TYR A 1 253 ? 11.224 -2.391 -49.777 1.00 29.10 ? 256 TYR A CD1 1 ATOM 1993 C CD2 . TYR A 1 253 ? 11.307 -4.566 -50.792 1.00 29.91 ? 256 TYR A CD2 1 ATOM 1994 C CE1 . TYR A 1 253 ? 9.937 -2.163 -50.328 1.00 30.16 ? 256 TYR A CE1 1 ATOM 1995 C CE2 . TYR A 1 253 ? 10.032 -4.365 -51.350 1.00 29.46 ? 256 TYR A CE2 1 ATOM 1996 C CZ . TYR A 1 253 ? 9.363 -3.169 -51.118 1.00 31.46 ? 256 TYR A CZ 1 ATOM 1997 O OH . TYR A 1 253 ? 8.118 -3.009 -51.671 1.00 33.84 ? 256 TYR A OH 1 ATOM 1998 N N . GLY A 1 254 ? 15.908 -2.674 -48.569 1.00 27.77 ? 257 GLY A N 1 ATOM 1999 C CA . GLY A 1 254 ? 16.987 -2.791 -47.600 1.00 27.77 ? 257 GLY A CA 1 ATOM 2000 C C . GLY A 1 254 ? 16.327 -2.593 -46.262 1.00 27.69 ? 257 GLY A C 1 ATOM 2001 O O . GLY A 1 254 ? 15.301 -1.927 -46.174 1.00 27.92 ? 257 GLY A O 1 ATOM 2002 N N . PHE A 1 255 ? 16.901 -3.176 -45.224 1.00 27.96 ? 258 PHE A N 1 ATOM 2003 C CA . PHE A 1 255 ? 16.395 -3.027 -43.858 1.00 28.42 ? 258 PHE A CA 1 ATOM 2004 C C . PHE A 1 255 ? 17.346 -2.143 -43.048 1.00 29.09 ? 258 PHE A C 1 ATOM 2005 O O . PHE A 1 255 ? 18.373 -2.622 -42.532 1.00 28.64 ? 258 PHE A O 1 ATOM 2006 C CB . PHE A 1 255 ? 16.238 -4.390 -43.171 1.00 27.86 ? 258 PHE A CB 1 ATOM 2007 C CG . PHE A 1 255 ? 15.142 -5.245 -43.738 1.00 28.93 ? 258 PHE A CG 1 ATOM 2008 C CD1 . PHE A 1 255 ? 13.826 -5.129 -43.248 1.00 30.30 ? 258 PHE A CD1 1 ATOM 2009 C CD2 . PHE A 1 255 ? 15.408 -6.179 -44.746 1.00 26.94 ? 258 PHE A CD2 1 ATOM 2010 C CE1 . PHE A 1 255 ? 12.798 -5.935 -43.748 1.00 31.64 ? 258 PHE A CE1 1 ATOM 2011 C CE2 . PHE A 1 255 ? 14.371 -6.980 -45.275 1.00 29.69 ? 258 PHE A CE2 1 ATOM 2012 C CZ . PHE A 1 255 ? 13.065 -6.861 -44.784 1.00 28.06 ? 258 PHE A CZ 1 ATOM 2013 N N . LYS A 1 256 ? 17.005 -0.851 -42.968 1.00 29.80 ? 259 LYS A N 1 ATOM 2014 C CA . LYS A 1 256 ? 17.719 0.115 -42.157 1.00 30.90 ? 259 LYS A CA 1 ATOM 2015 C C . LYS A 1 256 ? 17.481 -0.258 -40.697 1.00 31.74 ? 259 LYS A C 1 ATOM 2016 O O . LYS A 1 256 ? 16.345 -0.417 -40.265 1.00 31.68 ? 259 LYS A O 1 ATOM 2017 C CB . LYS A 1 256 ? 17.180 1.521 -42.439 1.00 31.06 ? 259 LYS A CB 1 ATOM 2018 C CG . LYS A 1 256 ? 17.778 2.630 -41.590 1.00 31.99 ? 259 LYS A CG 1 ATOM 2019 C CD . LYS A 1 256 ? 16.864 3.861 -41.597 1.00 34.51 ? 259 LYS A CD 1 ATOM 2020 C CE . LYS A 1 256 ? 17.227 4.833 -40.474 1.00 35.08 ? 259 LYS A CE 1 ATOM 2021 N NZ . LYS A 1 256 ? 16.794 6.211 -40.850 1.00 36.38 ? 259 LYS A NZ 1 ATOM 2022 N N . ILE A 1 257 ? 18.562 -0.432 -39.952 1.00 32.68 ? 260 ILE A N 1 ATOM 2023 C CA . ILE A 1 257 ? 18.480 -0.668 -38.519 1.00 33.96 ? 260 ILE A CA 1 ATOM 2024 C C . ILE A 1 257 ? 18.009 0.624 -37.859 1.00 34.98 ? 260 ILE A C 1 ATOM 2025 O O . ILE A 1 257 ? 18.759 1.595 -37.782 1.00 34.68 ? 260 ILE A O 1 ATOM 2026 C CB . ILE A 1 257 ? 19.855 -1.089 -37.969 1.00 34.25 ? 260 ILE A CB 1 ATOM 2027 C CG1 . ILE A 1 257 ? 20.352 -2.348 -38.696 1.00 33.71 ? 260 ILE A CG1 1 ATOM 2028 C CG2 . ILE A 1 257 ? 19.815 -1.242 -36.430 1.00 35.72 ? 260 ILE A CG2 1 ATOM 2029 C CD1 . ILE A 1 257 ? 21.694 -2.813 -38.232 1.00 36.14 ? 260 ILE A CD1 1 ATOM 2030 N N . SER A 1 258 ? 16.756 0.641 -37.412 1.00 35.92 ? 261 SER A N 1 ATOM 2031 C CA . SER A 1 258 ? 16.173 1.863 -36.872 1.00 36.81 ? 261 SER A CA 1 ATOM 2032 C C . SER A 1 258 ? 16.230 1.877 -35.350 1.00 37.61 ? 261 SER A C 1 ATOM 2033 O O . SER A 1 258 ? 16.054 2.930 -34.734 1.00 37.65 ? 261 SER A O 1 ATOM 2034 C CB . SER A 1 258 ? 14.743 2.092 -37.380 1.00 36.27 ? 261 SER A CB 1 ATOM 2035 O OG . SER A 1 258 ? 13.958 0.917 -37.280 1.00 36.66 ? 261 SER A OG 1 ATOM 2036 N N . LYS A 1 259 ? 16.477 0.715 -34.741 1.00 38.09 ? 262 LYS A N 1 ATOM 2037 C CA . LYS A 1 259 ? 16.613 0.661 -33.289 1.00 38.35 ? 262 LYS A CA 1 ATOM 2038 C C . LYS A 1 259 ? 17.523 -0.461 -32.815 1.00 38.78 ? 262 LYS A C 1 ATOM 2039 O O . LYS A 1 259 ? 17.388 -1.605 -33.249 1.00 37.69 ? 262 LYS A O 1 ATOM 2040 C CB . LYS A 1 259 ? 15.255 0.559 -32.614 1.00 38.67 ? 262 LYS A CB 1 ATOM 2041 C CG . LYS A 1 259 ? 15.222 1.250 -31.280 1.00 41.45 ? 262 LYS A CG 1 ATOM 2042 C CD . LYS A 1 259 ? 14.069 0.777 -30.432 1.00 44.42 ? 262 LYS A CD 1 ATOM 2043 C CE . LYS A 1 259 ? 14.502 0.621 -28.964 1.00 47.22 ? 262 LYS A CE 1 ATOM 2044 N NZ . LYS A 1 259 ? 14.814 1.918 -28.258 1.00 47.84 ? 262 LYS A NZ 1 ATOM 2045 N N . ARG A 1 260 ? 18.434 -0.112 -31.902 1.00 38.96 ? 263 ARG A N 1 ATOM 2046 C CA . ARG A 1 260 ? 19.463 -1.023 -31.416 1.00 40.51 ? 263 ARG A CA 1 ATOM 2047 C C . ARG A 1 260 ? 19.226 -1.323 -29.944 1.00 40.61 ? 263 ARG A C 1 ATOM 2048 O O . ARG A 1 260 ? 18.625 -0.532 -29.230 1.00 40.56 ? 263 ARG A O 1 ATOM 2049 C CB . ARG A 1 260 ? 20.866 -0.411 -31.612 1.00 40.37 ? 263 ARG A CB 1 ATOM 2050 C CG . ARG A 1 260 ? 21.259 -0.253 -33.072 1.00 41.80 ? 263 ARG A CG 1 ATOM 2051 C CD . ARG A 1 260 ? 22.561 0.499 -33.260 1.00 41.88 ? 263 ARG A CD 1 ATOM 2052 N NE . ARG A 1 260 ? 22.937 0.561 -34.675 1.00 44.21 ? 263 ARG A NE 1 ATOM 2053 C CZ . ARG A 1 260 ? 23.581 -0.399 -35.338 1.00 42.72 ? 263 ARG A CZ 1 ATOM 2054 N NH1 . ARG A 1 260 ? 23.942 -1.520 -34.719 1.00 44.68 ? 263 ARG A NH1 1 ATOM 2055 N NH2 . ARG A 1 260 ? 23.878 -0.233 -36.624 1.00 40.61 ? 263 ARG A NH2 1 ATOM 2056 N N . GLY A 1 261 A 19.683 -2.478 -29.492 1.00 41.01 ? 263 GLY A N 1 ATOM 2057 C CA . GLY A 1 261 A 19.604 -2.770 -28.084 1.00 41.78 ? 263 GLY A CA 1 ATOM 2058 C C . GLY A 1 261 A 19.624 -4.240 -27.781 1.00 42.58 ? 263 GLY A C 1 ATOM 2059 O O . GLY A 1 261 A 19.533 -5.064 -28.683 1.00 42.51 ? 263 GLY A O 1 ATOM 2060 N N . SER A 1 262 ? 19.717 -4.549 -26.490 1.00 43.62 ? 264 SER A N 1 ATOM 2061 C CA . SER A 1 262 ? 19.758 -5.918 -25.993 1.00 44.90 ? 264 SER A CA 1 ATOM 2062 C C . SER A 1 262 ? 18.439 -6.587 -26.305 1.00 44.76 ? 264 SER A C 1 ATOM 2063 O O . SER A 1 262 ? 17.377 -6.100 -25.918 1.00 45.72 ? 264 SER A O 1 ATOM 2064 C CB . SER A 1 262 ? 20.013 -5.928 -24.483 1.00 45.25 ? 264 SER A CB 1 ATOM 2065 O OG . SER A 1 262 ? 20.415 -7.223 -24.062 1.00 49.50 ? 264 SER A OG 1 ATOM 2066 N N . SER A 1 263 ? 18.507 -7.692 -27.036 1.00 44.15 ? 265 SER A N 1 ATOM 2067 C CA . SER A 1 263 ? 17.317 -8.365 -27.516 1.00 43.94 ? 265 SER A CA 1 ATOM 2068 C C . SER A 1 263 ? 17.599 -9.873 -27.554 1.00 43.23 ? 265 SER A C 1 ATOM 2069 O O . SER A 1 263 ? 18.382 -10.367 -26.740 1.00 43.59 ? 265 SER A O 1 ATOM 2070 C CB . SER A 1 263 ? 16.938 -7.804 -28.888 1.00 43.51 ? 265 SER A CB 1 ATOM 2071 O OG . SER A 1 263 ? 15.599 -8.124 -29.199 1.00 45.58 ? 265 SER A OG 1 ATOM 2072 N N . GLY A 1 264 ? 16.963 -10.600 -28.466 1.00 42.30 ? 266 GLY A N 1 ATOM 2073 C CA . GLY A 1 264 ? 17.352 -11.993 -28.738 1.00 41.32 ? 266 GLY A CA 1 ATOM 2074 C C . GLY A 1 264 ? 16.267 -12.782 -29.443 1.00 40.15 ? 266 GLY A C 1 ATOM 2075 O O . GLY A 1 264 ? 15.161 -12.301 -29.570 1.00 39.74 ? 266 GLY A O 1 ATOM 2076 N N . ILE A 1 265 ? 16.605 -13.983 -29.922 1.00 39.57 ? 267 ILE A N 1 ATOM 2077 C CA . ILE A 1 265 ? 15.641 -14.893 -30.524 1.00 38.77 ? 267 ILE A CA 1 ATOM 2078 C C . ILE A 1 265 ? 15.396 -15.981 -29.508 1.00 39.20 ? 267 ILE A C 1 ATOM 2079 O O . ILE A 1 265 ? 16.325 -16.602 -29.008 1.00 39.53 ? 267 ILE A O 1 ATOM 2080 C CB . ILE A 1 265 ? 16.142 -15.550 -31.835 1.00 39.10 ? 267 ILE A CB 1 ATOM 2081 C CG1 . ILE A 1 265 ? 16.311 -14.511 -32.947 1.00 38.92 ? 267 ILE A CG1 1 ATOM 2082 C CG2 . ILE A 1 265 ? 15.179 -16.656 -32.289 1.00 37.37 ? 267 ILE A CG2 1 ATOM 2083 C CD1 . ILE A 1 265 ? 16.976 -15.055 -34.215 1.00 38.32 ? 267 ILE A CD1 1 ATOM 2084 N N . MET A 1 266 ? 14.141 -16.189 -29.192 1.00 38.62 ? 268 MET A N 1 ATOM 2085 C CA . MET A 1 266 ? 13.752 -17.242 -28.302 1.00 39.76 ? 268 MET A CA 1 ATOM 2086 C C . MET A 1 266 ? 13.095 -18.355 -29.121 1.00 38.42 ? 268 MET A C 1 ATOM 2087 O O . MET A 1 266 ? 12.124 -18.094 -29.872 1.00 37.18 ? 268 MET A O 1 ATOM 2088 C CB . MET A 1 266 ? 12.754 -16.680 -27.309 1.00 39.10 ? 268 MET A CB 1 ATOM 2089 C CG . MET A 1 266 ? 12.072 -17.722 -26.483 1.00 41.04 ? 268 MET A CG 1 ATOM 2090 S SD . MET A 1 266 ? 11.314 -16.928 -25.071 1.00 44.36 ? 268 MET A SD 1 ATOM 2091 C CE . MET A 1 266 ? 12.745 -16.214 -24.251 1.00 38.32 ? 268 MET A CE 1 ATOM 2092 N N . LYS A 1 267 ? 13.635 -19.568 -28.974 1.00 37.18 ? 269 LYS A N 1 ATOM 2093 C CA . LYS A 1 267 ? 13.068 -20.778 -29.569 1.00 37.49 ? 269 LYS A CA 1 ATOM 2094 C C . LYS A 1 267 ? 11.880 -21.295 -28.760 1.00 36.90 ? 269 LYS A C 1 ATOM 2095 O O . LYS A 1 267 ? 12.035 -21.687 -27.610 1.00 37.30 ? 269 LYS A O 1 ATOM 2096 C CB . LYS A 1 267 ? 14.147 -21.866 -29.723 1.00 38.14 ? 269 LYS A CB 1 ATOM 2097 C CG . LYS A 1 267 ? 15.178 -21.560 -30.823 1.00 39.92 ? 269 LYS A CG 1 ATOM 2098 C CD . LYS A 1 267 ? 14.497 -21.613 -32.197 1.00 41.99 ? 269 LYS A CD 1 ATOM 2099 C CE . LYS A 1 267 ? 15.473 -21.575 -33.360 1.00 41.62 ? 269 LYS A CE 1 ATOM 2100 N NZ . LYS A 1 267 ? 14.751 -21.881 -34.656 1.00 40.51 ? 269 LYS A NZ 1 ATOM 2101 N N . THR A 1 268 ? 10.689 -21.249 -29.359 1.00 36.39 ? 270 THR A N 1 ATOM 2102 C CA . THR A 1 268 ? 9.431 -21.603 -28.684 1.00 35.70 ? 270 THR A CA 1 ATOM 2103 C C . THR A 1 268 ? 8.341 -21.937 -29.710 1.00 35.87 ? 270 THR A C 1 ATOM 2104 O O . THR A 1 268 ? 8.317 -21.380 -30.818 1.00 36.14 ? 270 THR A O 1 ATOM 2105 C CB . THR A 1 268 ? 8.938 -20.466 -27.721 1.00 36.26 ? 270 THR A CB 1 ATOM 2106 O OG1 . THR A 1 268 ? 7.634 -20.778 -27.222 1.00 35.29 ? 270 THR A OG1 1 ATOM 2107 C CG2 . THR A 1 268 ? 8.885 -19.091 -28.435 1.00 35.89 ? 270 THR A CG2 1 ATOM 2108 N N . GLU A 1 269 ? 7.452 -22.856 -29.339 1.00 35.39 ? 271 GLU A N 1 ATOM 2109 C CA . GLU A 1 269 ? 6.305 -23.231 -30.150 1.00 35.25 ? 271 GLU A CA 1 ATOM 2110 C C . GLU A 1 269 ? 5.072 -22.482 -29.671 1.00 34.82 ? 271 GLU A C 1 ATOM 2111 O O . GLU A 1 269 ? 4.020 -22.610 -30.256 1.00 35.08 ? 271 GLU A O 1 ATOM 2112 C CB . GLU A 1 269 ? 6.026 -24.744 -30.051 1.00 35.07 ? 271 GLU A CB 1 ATOM 2113 C CG . GLU A 1 269 ? 7.223 -25.656 -30.354 1.00 36.94 ? 271 GLU A CG 1 ATOM 2114 C CD . GLU A 1 269 ? 7.969 -25.297 -31.651 1.00 38.20 ? 271 GLU A CD 1 ATOM 2115 O OE1 . GLU A 1 269 ? 7.392 -25.446 -32.743 1.00 38.56 ? 271 GLU A OE1 1 ATOM 2116 O OE2 . GLU A 1 269 ? 9.145 -24.887 -31.569 1.00 38.63 ? 271 GLU A OE2 1 ATOM 2117 N N . GLY A 1 270 ? 5.218 -21.708 -28.597 1.00 34.85 ? 272 GLY A N 1 ATOM 2118 C CA . GLY A 1 270 ? 4.101 -21.048 -27.927 1.00 34.70 ? 272 GLY A CA 1 ATOM 2119 C C . GLY A 1 270 ? 3.710 -19.737 -28.585 1.00 35.03 ? 272 GLY A C 1 ATOM 2120 O O . GLY A 1 270 ? 4.315 -19.316 -29.587 1.00 34.26 ? 272 GLY A O 1 ATOM 2121 N N . THR A 1 271 ? 2.698 -19.092 -28.008 1.00 35.06 ? 273 THR A N 1 ATOM 2122 C CA . THR A 1 271 ? 2.133 -17.861 -28.561 1.00 35.50 ? 273 THR A CA 1 ATOM 2123 C C . THR A 1 271 ? 2.056 -16.728 -27.510 1.00 34.97 ? 273 THR A C 1 ATOM 2124 O O . THR A 1 271 ? 1.903 -16.998 -26.312 1.00 34.95 ? 273 THR A O 1 ATOM 2125 C CB . THR A 1 271 ? 0.750 -18.165 -29.242 1.00 35.74 ? 273 THR A CB 1 ATOM 2126 O OG1 . THR A 1 271 ? 0.426 -17.124 -30.171 1.00 37.84 ? 273 THR A OG1 1 ATOM 2127 C CG2 . THR A 1 271 ? -0.365 -18.303 -28.221 1.00 35.83 ? 273 THR A CG2 1 ATOM 2128 N N . LEU A 1 272 ? 2.154 -15.472 -27.959 1.00 34.32 ? 274 LEU A N 1 ATOM 2129 C CA . LEU A 1 272 ? 2.116 -14.303 -27.047 1.00 33.92 ? 274 LEU A CA 1 ATOM 2130 C C . LEU A 1 272 ? 0.771 -14.152 -26.340 1.00 34.56 ? 274 LEU A C 1 ATOM 2131 O O . LEU A 1 272 ? -0.278 -14.202 -26.973 1.00 33.39 ? 274 LEU A O 1 ATOM 2132 C CB . LEU A 1 272 ? 2.476 -12.992 -27.774 1.00 33.86 ? 274 LEU A CB 1 ATOM 2133 C CG . LEU A 1 272 ? 2.394 -11.629 -27.037 1.00 34.08 ? 274 LEU A CG 1 ATOM 2134 C CD1 . LEU A 1 272 ? 3.345 -11.563 -25.813 1.00 33.02 ? 274 LEU A CD1 1 ATOM 2135 C CD2 . LEU A 1 272 ? 2.685 -10.459 -27.985 1.00 32.85 ? 274 LEU A CD2 1 ATOM 2136 N N . GLU A 1 273 ? 0.822 -13.964 -25.025 1.00 35.28 ? 275 GLU A N 1 ATOM 2137 C CA . GLU A 1 273 ? -0.377 -13.699 -24.249 1.00 37.57 ? 275 GLU A CA 1 ATOM 2138 C C . GLU A 1 273 ? -0.414 -12.256 -23.715 1.00 37.77 ? 275 GLU A C 1 ATOM 2139 O O . GLU A 1 273 ? 0.604 -11.548 -23.678 1.00 37.69 ? 275 GLU A O 1 ATOM 2140 C CB . GLU A 1 273 ? -0.537 -14.738 -23.140 1.00 36.73 ? 275 GLU A CB 1 ATOM 2141 C CG . GLU A 1 273 ? -0.794 -16.129 -23.701 1.00 39.87 ? 275 GLU A CG 1 ATOM 2142 C CD . GLU A 1 273 ? -0.950 -17.208 -22.628 1.00 40.42 ? 275 GLU A CD 1 ATOM 2143 O OE1 . GLU A 1 273 ? -1.889 -17.082 -21.803 1.00 44.30 ? 275 GLU A OE1 1 ATOM 2144 O OE2 . GLU A 1 273 ? -0.154 -18.189 -22.628 1.00 42.38 ? 275 GLU A OE2 1 ATOM 2145 N N . ASN A 1 274 ? -1.604 -11.820 -23.334 1.00 39.23 ? 276 ASN A N 1 ATOM 2146 C CA . ASN A 1 274 ? -1.813 -10.480 -22.800 1.00 40.27 ? 276 ASN A CA 1 ATOM 2147 C C . ASN A 1 274 ? -1.321 -10.422 -21.359 1.00 41.20 ? 276 ASN A C 1 ATOM 2148 O O . ASN A 1 274 ? -2.114 -10.477 -20.418 1.00 41.49 ? 276 ASN A O 1 ATOM 2149 C CB . ASN A 1 274 ? -3.301 -10.099 -22.913 1.00 40.22 ? 276 ASN A CB 1 ATOM 2150 C CG . ASN A 1 274 ? -3.567 -8.629 -22.582 1.00 41.14 ? 276 ASN A CG 1 ATOM 2151 O OD1 . ASN A 1 274 ? -2.658 -7.792 -22.587 1.00 42.35 ? 276 ASN A OD1 1 ATOM 2152 N ND2 . ASN A 1 274 ? -4.820 -8.314 -22.292 1.00 40.95 ? 276 ASN A ND2 1 ATOM 2153 N N . CYS A 1 275 ? 0.002 -10.343 -21.203 1.00 42.02 ? 277 CYS A N 1 ATOM 2154 C CA . CYS A 1 275 ? 0.669 -10.300 -19.906 1.00 43.47 ? 277 CYS A CA 1 ATOM 2155 C C . CYS A 1 275 ? 1.931 -9.453 -20.035 1.00 43.53 ? 277 CYS A C 1 ATOM 2156 O O . CYS A 1 275 ? 2.483 -9.264 -21.124 1.00 43.56 ? 277 CYS A O 1 ATOM 2157 C CB . CYS A 1 275 ? 1.044 -11.704 -19.392 1.00 43.28 ? 277 CYS A CB 1 ATOM 2158 S SG . CYS A 1 275 ? 2.059 -12.674 -20.561 1.00 48.10 ? 277 CYS A SG 1 ATOM 2159 N N . GLU A 1 276 ? 2.385 -8.931 -18.915 1.00 43.91 ? 278 GLU A N 1 ATOM 2160 C CA . GLU A 1 276 ? 3.543 -8.069 -18.921 1.00 44.53 ? 278 GLU A CA 1 ATOM 2161 C C . GLU A 1 276 ? 4.613 -8.675 -18.007 1.00 43.80 ? 278 GLU A C 1 ATOM 2162 O O . GLU A 1 276 ? 4.263 -9.338 -17.035 1.00 44.45 ? 278 GLU A O 1 ATOM 2163 C CB . GLU A 1 276 ? 3.078 -6.670 -18.491 1.00 44.97 ? 278 GLU A CB 1 ATOM 2164 C CG . GLU A 1 276 ? 4.085 -5.836 -17.735 1.00 48.10 ? 278 GLU A CG 1 ATOM 2165 C CD . GLU A 1 276 ? 5.134 -5.203 -18.624 1.00 52.35 ? 278 GLU A CD 1 ATOM 2166 O OE1 . GLU A 1 276 ? 5.299 -5.642 -19.791 1.00 53.16 ? 278 GLU A OE1 1 ATOM 2167 O OE2 . GLU A 1 276 ? 5.805 -4.262 -18.129 1.00 54.73 ? 278 GLU A OE2 1 ATOM 2168 N N . THR A 1 277 ? 5.897 -8.479 -18.330 1.00 43.17 ? 279 THR A N 1 ATOM 2169 C CA . THR A 1 277 ? 7.017 -8.994 -17.508 1.00 42.01 ? 279 THR A CA 1 ATOM 2170 C C . THR A 1 277 ? 8.305 -8.166 -17.633 1.00 42.09 ? 279 THR A C 1 ATOM 2171 O O . THR A 1 277 ? 8.456 -7.362 -18.555 1.00 41.87 ? 279 THR A O 1 ATOM 2172 C CB . THR A 1 277 ? 7.342 -10.509 -17.800 1.00 42.09 ? 279 THR A CB 1 ATOM 2173 O OG1 . THR A 1 277 ? 8.154 -11.040 -16.748 1.00 39.76 ? 279 THR A OG1 1 ATOM 2174 C CG2 . THR A 1 277 ? 8.101 -10.698 -19.127 1.00 40.74 ? 279 THR A CG2 1 ATOM 2175 N N . LYS A 1 278 ? 9.239 -8.390 -16.710 1.00 42.34 ? 280 LYS A N 1 ATOM 2176 C CA . LYS A 1 278 ? 10.577 -7.784 -16.762 1.00 42.40 ? 280 LYS A CA 1 ATOM 2177 C C . LYS A 1 278 ? 11.641 -8.821 -17.082 1.00 41.86 ? 280 LYS A C 1 ATOM 2178 O O . LYS A 1 278 ? 12.773 -8.473 -17.421 1.00 41.73 ? 280 LYS A O 1 ATOM 2179 C CB . LYS A 1 278 ? 10.926 -7.107 -15.425 1.00 43.26 ? 280 LYS A CB 1 ATOM 2180 C CG . LYS A 1 278 ? 9.970 -5.995 -15.014 1.00 45.02 ? 280 LYS A CG 1 ATOM 2181 C CD . LYS A 1 278 ? 9.942 -5.834 -13.481 1.00 49.27 ? 280 LYS A CD 1 ATOM 2182 C CE . LYS A 1 278 ? 8.569 -5.324 -13.019 1.00 50.80 ? 280 LYS A CE 1 ATOM 2183 N NZ . LYS A 1 278 ? 8.298 -5.579 -11.566 1.00 52.61 ? 280 LYS A NZ 1 ATOM 2184 N N . CYS A 1 279 ? 11.277 -10.096 -16.936 1.00 41.74 ? 281 CYS A N 1 ATOM 2185 C CA . CYS A 1 279 ? 12.172 -11.225 -17.215 1.00 40.49 ? 281 CYS A CA 1 ATOM 2186 C C . CYS A 1 279 ? 11.391 -12.365 -17.878 1.00 38.88 ? 281 CYS A C 1 ATOM 2187 O O . CYS A 1 279 ? 10.474 -12.927 -17.273 1.00 38.52 ? 281 CYS A O 1 ATOM 2188 C CB . CYS A 1 279 ? 12.849 -11.720 -15.920 1.00 40.71 ? 281 CYS A CB 1 ATOM 2189 S SG . CYS A 1 279 ? 13.871 -13.211 -16.106 1.00 45.08 ? 281 CYS A SG 1 ATOM 2190 N N . GLN A 1 280 ? 11.761 -12.693 -19.116 1.00 37.35 ? 282 GLN A N 1 ATOM 2191 C CA . GLN A 1 280 ? 11.130 -13.763 -19.885 1.00 35.42 ? 282 GLN A CA 1 ATOM 2192 C C . GLN A 1 280 ? 12.063 -14.950 -20.133 1.00 35.11 ? 282 GLN A C 1 ATOM 2193 O O . GLN A 1 280 ? 13.208 -14.764 -20.528 1.00 32.99 ? 282 GLN A O 1 ATOM 2194 C CB . GLN A 1 280 ? 10.632 -13.235 -21.236 1.00 35.82 ? 282 GLN A CB 1 ATOM 2195 C CG . GLN A 1 280 ? 9.824 -14.256 -22.056 1.00 33.71 ? 282 GLN A CG 1 ATOM 2196 C CD . GLN A 1 280 ? 8.459 -14.516 -21.445 1.00 33.63 ? 282 GLN A CD 1 ATOM 2197 O OE1 . GLN A 1 280 ? 7.662 -13.601 -21.275 1.00 33.07 ? 282 GLN A OE1 1 ATOM 2198 N NE2 . GLN A 1 280 ? 8.195 -15.766 -21.095 1.00 32.51 ? 282 GLN A NE2 1 ATOM 2199 N N . THR A 1 281 ? 11.535 -16.164 -19.930 1.00 34.55 ? 283 THR A N 1 ATOM 2200 C CA . THR A 1 281 ? 12.224 -17.411 -20.298 1.00 35.01 ? 283 THR A CA 1 ATOM 2201 C C . THR A 1 281 ? 11.349 -18.187 -21.309 1.00 35.38 ? 283 THR A C 1 ATOM 2202 O O . THR A 1 281 ? 10.163 -17.909 -21.425 1.00 35.15 ? 283 THR A O 1 ATOM 2203 C CB . THR A 1 281 ? 12.549 -18.312 -19.065 1.00 35.04 ? 283 THR A CB 1 ATOM 2204 O OG1 . THR A 1 281 ? 11.469 -19.213 -18.804 1.00 35.49 ? 283 THR A OG1 1 ATOM 2205 C CG2 . THR A 1 281 ? 12.820 -17.483 -17.798 1.00 35.05 ? 283 THR A CG2 1 ATOM 2206 N N . PRO A 1 282 ? 11.938 -19.134 -22.059 1.00 36.07 ? 284 PRO A N 1 ATOM 2207 C CA . PRO A 1 282 ? 11.163 -20.035 -22.935 1.00 36.88 ? 284 PRO A CA 1 ATOM 2208 C C . PRO A 1 282 ? 10.058 -20.863 -22.238 1.00 37.34 ? 284 PRO A C 1 ATOM 2209 O O . PRO A 1 282 ? 9.145 -21.341 -22.913 1.00 38.70 ? 284 PRO A O 1 ATOM 2210 C CB . PRO A 1 282 ? 12.243 -20.955 -23.525 1.00 36.62 ? 284 PRO A CB 1 ATOM 2211 C CG . PRO A 1 282 ? 13.492 -20.125 -23.481 1.00 36.48 ? 284 PRO A CG 1 ATOM 2212 C CD . PRO A 1 282 ? 13.390 -19.376 -22.187 1.00 36.29 ? 284 PRO A CD 1 ATOM 2213 N N . LEU A 1 283 ? 10.125 -21.036 -20.918 1.00 36.95 ? 285 LEU A N 1 ATOM 2214 C CA . LEU A 1 283 ? 9.067 -21.759 -20.199 1.00 36.60 ? 285 LEU A CA 1 ATOM 2215 C C . LEU A 1 283 ? 7.955 -20.829 -19.708 1.00 35.85 ? 285 LEU A C 1 ATOM 2216 O O . LEU A 1 283 ? 6.861 -21.282 -19.426 1.00 36.22 ? 285 LEU A O 1 ATOM 2217 C CB . LEU A 1 283 ? 9.631 -22.566 -19.025 1.00 36.86 ? 285 LEU A CB 1 ATOM 2218 C CG . LEU A 1 283 ? 10.736 -23.602 -19.248 1.00 38.30 ? 285 LEU A CG 1 ATOM 2219 C CD1 . LEU A 1 283 ? 11.112 -24.244 -17.916 1.00 37.50 ? 285 LEU A CD1 1 ATOM 2220 C CD2 . LEU A 1 283 ? 10.331 -24.689 -20.275 1.00 39.05 ? 285 LEU A CD2 1 ATOM 2221 N N . GLY A 1 284 ? 8.236 -19.529 -19.647 1.00 35.19 ? 286 GLY A N 1 ATOM 2222 C CA . GLY A 1 284 ? 7.343 -18.557 -19.037 1.00 34.27 ? 286 GLY A CA 1 ATOM 2223 C C . GLY A 1 284 ? 8.091 -17.423 -18.354 1.00 34.51 ? 286 GLY A C 1 ATOM 2224 O O . GLY A 1 284 ? 9.332 -17.428 -18.253 1.00 33.28 ? 286 GLY A O 1 ATOM 2225 N N . ALA A 1 285 ? 7.325 -16.456 -17.874 1.00 34.43 ? 287 ALA A N 1 ATOM 2226 C CA . ALA A 1 285 ? 7.880 -15.228 -17.339 1.00 35.62 ? 287 ALA A CA 1 ATOM 2227 C C . ALA A 1 285 ? 8.170 -15.346 -15.831 1.00 36.11 ? 287 ALA A C 1 ATOM 2228 O O . ALA A 1 285 ? 7.458 -16.036 -15.103 1.00 35.25 ? 287 ALA A O 1 ATOM 2229 C CB . ALA A 1 285 ? 6.924 -14.051 -17.631 1.00 35.06 ? 287 ALA A CB 1 ATOM 2230 N N . ILE A 1 286 ? 9.216 -14.664 -15.384 1.00 36.94 ? 288 ILE A N 1 ATOM 2231 C CA . ILE A 1 286 ? 9.598 -14.642 -13.969 1.00 38.40 ? 288 ILE A CA 1 ATOM 2232 C C . ILE A 1 286 ? 9.293 -13.276 -13.364 1.00 39.59 ? 288 ILE A C 1 ATOM 2233 O O . ILE A 1 286 ? 9.565 -12.248 -13.974 1.00 39.95 ? 288 ILE A O 1 ATOM 2234 C CB . ILE A 1 286 ? 11.112 -14.979 -13.784 1.00 38.26 ? 288 ILE A CB 1 ATOM 2235 C CG1 . ILE A 1 286 ? 11.375 -16.469 -14.067 1.00 38.52 ? 288 ILE A CG1 1 ATOM 2236 C CG2 . ILE A 1 286 ? 11.602 -14.622 -12.368 1.00 38.35 ? 288 ILE A CG2 1 ATOM 2237 C CD1 . ILE A 1 286 ? 12.881 -16.864 -14.045 1.00 38.19 ? 288 ILE A CD1 1 ATOM 2238 N N . ASN A 1 287 ? 8.722 -13.291 -12.160 1.00 41.40 ? 289 ASN A N 1 ATOM 2239 C CA . ASN A 1 287 ? 8.421 -12.095 -11.360 1.00 43.07 ? 289 ASN A CA 1 ATOM 2240 C C . ASN A 1 287 ? 8.862 -12.363 -9.908 1.00 43.45 ? 289 ASN A C 1 ATOM 2241 O O . ASN A 1 287 ? 8.153 -13.001 -9.127 1.00 43.54 ? 289 ASN A O 1 ATOM 2242 C CB . ASN A 1 287 ? 6.921 -11.758 -11.444 1.00 43.29 ? 289 ASN A CB 1 ATOM 2243 C CG . ASN A 1 287 ? 6.505 -10.589 -10.533 1.00 44.66 ? 289 ASN A CG 1 ATOM 2244 O OD1 . ASN A 1 287 ? 7.277 -9.657 -10.280 1.00 45.98 ? 289 ASN A OD1 1 ATOM 2245 N ND2 . ASN A 1 287 ? 5.260 -10.639 -10.046 1.00 46.29 ? 289 ASN A ND2 1 ATOM 2246 N N . THR A 1 288 ? 10.052 -11.895 -9.570 1.00 44.01 ? 290 THR A N 1 ATOM 2247 C CA . THR A 1 288 ? 10.671 -12.245 -8.302 1.00 44.89 ? 290 THR A CA 1 ATOM 2248 C C . THR A 1 288 ? 11.619 -11.145 -7.870 1.00 45.80 ? 290 THR A C 1 ATOM 2249 O O . THR A 1 288 ? 12.127 -10.392 -8.707 1.00 46.16 ? 290 THR A O 1 ATOM 2250 C CB . THR A 1 288 ? 11.460 -13.596 -8.397 1.00 44.85 ? 290 THR A CB 1 ATOM 2251 O OG1 . THR A 1 288 ? 11.713 -14.107 -7.086 1.00 44.73 ? 290 THR A OG1 1 ATOM 2252 C CG2 . THR A 1 288 ? 12.794 -13.443 -9.137 1.00 43.70 ? 290 THR A CG2 1 ATOM 2253 N N . THR A 1 289 ? 11.863 -11.065 -6.564 1.00 46.74 ? 291 THR A N 1 ATOM 2254 C CA . THR A 1 289 ? 12.935 -10.218 -6.030 1.00 47.88 ? 291 THR A CA 1 ATOM 2255 C C . THR A 1 289 ? 14.175 -11.027 -5.641 1.00 47.86 ? 291 THR A C 1 ATOM 2256 O O . THR A 1 289 ? 15.229 -10.456 -5.341 1.00 48.79 ? 291 THR A O 1 ATOM 2257 C CB . THR A 1 289 ? 12.453 -9.377 -4.837 1.00 48.25 ? 291 THR A CB 1 ATOM 2258 O OG1 . THR A 1 289 ? 11.403 -10.081 -4.153 1.00 49.79 ? 291 THR A OG1 1 ATOM 2259 C CG2 . THR A 1 289 ? 11.926 -8.025 -5.332 1.00 48.96 ? 291 THR A CG2 1 ATOM 2260 N N . LEU A 1 290 ? 14.042 -12.351 -5.681 1.00 47.70 ? 292 LEU A N 1 ATOM 2261 C CA . LEU A 1 290 ? 15.118 -13.284 -5.362 1.00 47.27 ? 292 LEU A CA 1 ATOM 2262 C C . LEU A 1 290 ? 16.279 -13.185 -6.344 1.00 47.21 ? 292 LEU A C 1 ATOM 2263 O O . LEU A 1 290 ? 16.061 -12.986 -7.549 1.00 47.72 ? 292 LEU A O 1 ATOM 2264 C CB . LEU A 1 290 ? 14.581 -14.716 -5.319 1.00 47.12 ? 292 LEU A CB 1 ATOM 2265 C CG . LEU A 1 290 ? 13.507 -14.999 -4.267 1.00 47.08 ? 292 LEU A CG 1 ATOM 2266 C CD1 . LEU A 1 290 ? 13.109 -16.465 -4.315 1.00 47.27 ? 292 LEU A CD1 1 ATOM 2267 C CD2 . LEU A 1 290 ? 13.986 -14.620 -2.871 1.00 46.60 ? 292 LEU A CD2 1 ATOM 2268 N N . PRO A 1 291 ? 17.517 -13.309 -5.827 1.00 46.80 ? 293 PRO A N 1 ATOM 2269 C CA . PRO A 1 291 ? 18.754 -13.173 -6.605 1.00 46.16 ? 293 PRO A CA 1 ATOM 2270 C C . PRO A 1 291 ? 19.076 -14.289 -7.603 1.00 45.53 ? 293 PRO A C 1 ATOM 2271 O O . PRO A 1 291 ? 19.770 -14.026 -8.591 1.00 46.07 ? 293 PRO A O 1 ATOM 2272 C CB . PRO A 1 291 ? 19.840 -13.116 -5.520 1.00 46.07 ? 293 PRO A CB 1 ATOM 2273 C CG . PRO A 1 291 ? 19.269 -13.862 -4.369 1.00 46.02 ? 293 PRO A CG 1 ATOM 2274 C CD . PRO A 1 291 ? 17.801 -13.530 -4.390 1.00 47.04 ? 293 PRO A CD 1 ATOM 2275 N N . PHE A 1 292 ? 18.618 -15.512 -7.329 1.00 44.29 ? 294 PHE A N 1 ATOM 2276 C CA . PHE A 1 292 ? 18.887 -16.684 -8.168 1.00 42.56 ? 294 PHE A CA 1 ATOM 2277 C C . PHE A 1 292 ? 17.572 -17.263 -8.679 1.00 41.05 ? 294 PHE A C 1 ATOM 2278 O O . PHE A 1 292 ? 16.523 -17.021 -8.091 1.00 39.98 ? 294 PHE A O 1 ATOM 2279 C CB . PHE A 1 292 ? 19.612 -17.791 -7.384 1.00 42.96 ? 294 PHE A CB 1 ATOM 2280 C CG . PHE A 1 292 ? 20.964 -17.398 -6.850 1.00 44.54 ? 294 PHE A CG 1 ATOM 2281 C CD1 . PHE A 1 292 ? 22.120 -17.624 -7.605 1.00 45.98 ? 294 PHE A CD1 1 ATOM 2282 C CD2 . PHE A 1 292 ? 21.090 -16.838 -5.573 1.00 45.32 ? 294 PHE A CD2 1 ATOM 2283 C CE1 . PHE A 1 292 ? 23.387 -17.275 -7.103 1.00 47.22 ? 294 PHE A CE1 1 ATOM 2284 C CE2 . PHE A 1 292 ? 22.337 -16.482 -5.061 1.00 45.88 ? 294 PHE A CE2 1 ATOM 2285 C CZ . PHE A 1 292 ? 23.497 -16.702 -5.825 1.00 45.87 ? 294 PHE A CZ 1 ATOM 2286 N N . HIS A 1 293 ? 17.644 -18.035 -9.763 1.00 39.62 ? 295 HIS A N 1 ATOM 2287 C CA . HIS A 1 293 ? 16.496 -18.801 -10.267 1.00 38.45 ? 295 HIS A CA 1 ATOM 2288 C C . HIS A 1 293 ? 17.006 -20.083 -10.899 1.00 38.13 ? 295 HIS A C 1 ATOM 2289 O O . HIS A 1 293 ? 18.185 -20.178 -11.237 1.00 38.53 ? 295 HIS A O 1 ATOM 2290 C CB . HIS A 1 293 ? 15.619 -17.975 -11.237 1.00 38.02 ? 295 HIS A CB 1 ATOM 2291 C CG . HIS A 1 293 ? 16.174 -17.857 -12.628 1.00 37.65 ? 295 HIS A CG 1 ATOM 2292 N ND1 . HIS A 1 293 ? 15.873 -18.758 -13.631 1.00 36.77 ? 295 HIS A ND1 1 ATOM 2293 C CD2 . HIS A 1 293 ? 17.017 -16.950 -13.182 1.00 36.94 ? 295 HIS A CD2 1 ATOM 2294 C CE1 . HIS A 1 293 ? 16.508 -18.414 -14.739 1.00 35.72 ? 295 HIS A CE1 1 ATOM 2295 N NE2 . HIS A 1 293 ? 17.212 -17.322 -14.493 1.00 35.78 ? 295 HIS A NE2 1 ATOM 2296 N N . ASN A 1 294 ? 16.142 -21.080 -11.030 1.00 37.64 ? 296 ASN A N 1 ATOM 2297 C CA . ASN A 1 294 ? 16.528 -22.327 -11.686 1.00 37.46 ? 296 ASN A CA 1 ATOM 2298 C C . ASN A 1 294 ? 15.600 -22.691 -12.850 1.00 37.04 ? 296 ASN A C 1 ATOM 2299 O O . ASN A 1 294 ? 15.529 -23.847 -13.252 1.00 36.97 ? 296 ASN A O 1 ATOM 2300 C CB . ASN A 1 294 ? 16.647 -23.486 -10.669 1.00 37.40 ? 296 ASN A CB 1 ATOM 2301 C CG . ASN A 1 294 ? 15.297 -23.971 -10.143 1.00 37.92 ? 296 ASN A CG 1 ATOM 2302 O OD1 . ASN A 1 294 ? 14.262 -23.359 -10.387 1.00 38.10 ? 296 ASN A OD1 1 ATOM 2303 N ND2 . ASN A 1 294 ? 15.312 -25.083 -9.415 1.00 36.88 ? 296 ASN A ND2 1 ATOM 2304 N N . VAL A 1 295 ? 14.903 -21.694 -13.392 1.00 37.10 ? 297 VAL A N 1 ATOM 2305 C CA . VAL A 1 295 ? 13.828 -21.957 -14.368 1.00 37.69 ? 297 VAL A CA 1 ATOM 2306 C C . VAL A 1 295 ? 14.389 -22.442 -15.715 1.00 38.18 ? 297 VAL A C 1 ATOM 2307 O O . VAL A 1 295 ? 14.095 -23.552 -16.145 1.00 38.73 ? 297 VAL A O 1 ATOM 2308 C CB . VAL A 1 295 ? 12.874 -20.744 -14.522 1.00 37.88 ? 297 VAL A CB 1 ATOM 2309 C CG1 . VAL A 1 295 ? 11.933 -20.922 -15.734 1.00 36.77 ? 297 VAL A CG1 1 ATOM 2310 C CG2 . VAL A 1 295 ? 12.072 -20.543 -13.228 1.00 36.06 ? 297 VAL A CG2 1 ATOM 2311 N N . HIS A 1 296 ? 15.229 -21.619 -16.338 1.00 38.68 ? 298 HIS A N 1 ATOM 2312 C CA . HIS A 1 296 ? 15.820 -21.911 -17.639 1.00 38.96 ? 298 HIS A CA 1 ATOM 2313 C C . HIS A 1 296 ? 17.047 -21.019 -17.795 1.00 39.30 ? 298 HIS A C 1 ATOM 2314 O O . HIS A 1 296 ? 17.016 -19.852 -17.397 1.00 38.95 ? 298 HIS A O 1 ATOM 2315 C CB . HIS A 1 296 ? 14.795 -21.629 -18.753 1.00 39.26 ? 298 HIS A CB 1 ATOM 2316 C CG . HIS A 1 296 ? 15.142 -22.249 -20.075 1.00 39.16 ? 298 HIS A CG 1 ATOM 2317 N ND1 . HIS A 1 296 ? 16.044 -21.679 -20.950 1.00 39.72 ? 298 HIS A ND1 1 ATOM 2318 C CD2 . HIS A 1 296 ? 14.709 -23.387 -20.667 1.00 38.52 ? 298 HIS A CD2 1 ATOM 2319 C CE1 . HIS A 1 296 ? 16.152 -22.439 -22.024 1.00 39.36 ? 298 HIS A CE1 1 ATOM 2320 N NE2 . HIS A 1 296 ? 15.362 -23.487 -21.872 1.00 40.85 ? 298 HIS A NE2 1 ATOM 2321 N N . PRO A 1 297 ? 18.150 -21.558 -18.361 1.00 40.52 ? 299 PRO A N 1 ATOM 2322 C CA . PRO A 1 297 ? 19.351 -20.710 -18.544 1.00 41.14 ? 299 PRO A CA 1 ATOM 2323 C C . PRO A 1 297 ? 19.176 -19.556 -19.549 1.00 42.22 ? 299 PRO A C 1 ATOM 2324 O O . PRO A 1 297 ? 19.837 -18.518 -19.423 1.00 42.92 ? 299 PRO A O 1 ATOM 2325 C CB . PRO A 1 297 ? 20.411 -21.691 -19.041 1.00 40.53 ? 299 PRO A CB 1 ATOM 2326 C CG . PRO A 1 297 ? 19.663 -22.829 -19.601 1.00 40.87 ? 299 PRO A CG 1 ATOM 2327 C CD . PRO A 1 297 ? 18.364 -22.933 -18.854 1.00 40.34 ? 299 PRO A CD 1 ATOM 2328 N N . LEU A 1 298 ? 18.292 -19.725 -20.527 1.00 43.42 ? 300 LEU A N 1 ATOM 2329 C CA . LEU A 1 298 ? 18.144 -18.724 -21.582 1.00 44.36 ? 300 LEU A CA 1 ATOM 2330 C C . LEU A 1 298 ? 17.037 -17.728 -21.299 1.00 44.70 ? 300 LEU A C 1 ATOM 2331 O O . LEU A 1 298 ? 15.879 -17.983 -21.607 1.00 45.45 ? 300 LEU A O 1 ATOM 2332 C CB . LEU A 1 298 ? 17.897 -19.410 -22.930 1.00 44.60 ? 300 LEU A CB 1 ATOM 2333 C CG . LEU A 1 298 ? 19.027 -20.241 -23.550 1.00 44.94 ? 300 LEU A CG 1 ATOM 2334 C CD1 . LEU A 1 298 ? 18.573 -20.687 -24.916 1.00 44.97 ? 300 LEU A CD1 1 ATOM 2335 C CD2 . LEU A 1 298 ? 20.348 -19.460 -23.653 1.00 45.57 ? 300 LEU A CD2 1 ATOM 2336 N N . THR A 1 299 ? 17.399 -16.577 -20.747 1.00 44.73 ? 301 THR A N 1 ATOM 2337 C CA . THR A 1 299 ? 16.406 -15.587 -20.352 1.00 45.08 ? 301 THR A CA 1 ATOM 2338 C C . THR A 1 299 ? 16.618 -14.229 -21.033 1.00 45.23 ? 301 THR A C 1 ATOM 2339 O O . THR A 1 299 ? 17.721 -13.897 -21.444 1.00 45.24 ? 301 THR A O 1 ATOM 2340 C CB . THR A 1 299 ? 16.348 -15.383 -18.795 1.00 44.65 ? 301 THR A CB 1 ATOM 2341 O OG1 . THR A 1 299 ? 17.422 -14.537 -18.367 1.00 45.88 ? 301 THR A OG1 1 ATOM 2342 C CG2 . THR A 1 299 ? 16.386 -16.704 -18.024 1.00 44.47 ? 301 THR A CG2 1 ATOM 2343 N N . ILE A 1 300 ? 15.563 -13.430 -21.115 1.00 45.65 ? 302 ILE A N 1 ATOM 2344 C CA . ILE A 1 300 ? 15.677 -12.091 -21.670 1.00 46.54 ? 302 ILE A CA 1 ATOM 2345 C C . ILE A 1 300 ? 15.059 -11.059 -20.731 1.00 47.08 ? 302 ILE A C 1 ATOM 2346 O O . ILE A 1 300 ? 13.956 -11.252 -20.210 1.00 46.36 ? 302 ILE A O 1 ATOM 2347 C CB . ILE A 1 300 ? 15.093 -12.010 -23.125 1.00 46.49 ? 302 ILE A CB 1 ATOM 2348 C CG1 . ILE A 1 300 ? 15.778 -13.070 -24.016 1.00 47.05 ? 302 ILE A CG1 1 ATOM 2349 C CG2 . ILE A 1 300 ? 15.302 -10.588 -23.707 1.00 46.48 ? 302 ILE A CG2 1 ATOM 2350 C CD1 . ILE A 1 300 ? 15.089 -13.410 -25.363 1.00 47.02 ? 302 ILE A CD1 1 ATOM 2351 N N . GLY A 1 301 ? 15.795 -9.972 -20.511 1.00 47.92 ? 303 GLY A N 1 ATOM 2352 C CA . GLY A 1 301 ? 15.351 -8.859 -19.674 1.00 49.38 ? 303 GLY A CA 1 ATOM 2353 C C . GLY A 1 301 ? 16.201 -8.684 -18.422 1.00 50.84 ? 303 GLY A C 1 ATOM 2354 O O . GLY A 1 301 ? 17.368 -9.106 -18.371 1.00 50.81 ? 303 GLY A O 1 ATOM 2355 N N . GLU A 1 302 ? 15.610 -8.060 -17.406 1.00 51.82 ? 304 GLU A N 1 ATOM 2356 C CA . GLU A 1 302 ? 16.265 -7.892 -16.106 1.00 53.02 ? 304 GLU A CA 1 ATOM 2357 C C . GLU A 1 302 ? 16.004 -9.159 -15.278 1.00 52.46 ? 304 GLU A C 1 ATOM 2358 O O . GLU A 1 302 ? 14.950 -9.300 -14.634 1.00 52.54 ? 304 GLU A O 1 ATOM 2359 C CB . GLU A 1 302 ? 15.761 -6.612 -15.424 1.00 53.04 ? 304 GLU A CB 1 ATOM 2360 C CG . GLU A 1 302 ? 16.147 -5.326 -16.200 1.00 54.84 ? 304 GLU A CG 1 ATOM 2361 C CD . GLU A 1 302 ? 15.251 -4.123 -15.890 1.00 55.64 ? 304 GLU A CD 1 ATOM 2362 O OE1 . GLU A 1 302 ? 14.136 -4.030 -16.463 1.00 58.06 ? 304 GLU A OE1 1 ATOM 2363 O OE2 . GLU A 1 302 ? 15.678 -3.253 -15.088 1.00 58.87 ? 304 GLU A OE2 1 ATOM 2364 N N . CYS A 1 303 ? 16.949 -10.095 -15.340 1.00 51.89 ? 305 CYS A N 1 ATOM 2365 C CA . CYS A 1 303 ? 16.736 -11.423 -14.770 1.00 51.90 ? 305 CYS A CA 1 ATOM 2366 C C . CYS A 1 303 ? 17.563 -11.724 -13.513 1.00 51.36 ? 305 CYS A C 1 ATOM 2367 O O . CYS A 1 303 ? 18.608 -11.093 -13.289 1.00 51.73 ? 305 CYS A O 1 ATOM 2368 C CB . CYS A 1 303 ? 16.938 -12.508 -15.833 1.00 51.44 ? 305 CYS A CB 1 ATOM 2369 S SG . CYS A 1 303 ? 15.585 -12.565 -17.098 1.00 54.63 ? 305 CYS A SG 1 ATOM 2370 N N . PRO A 1 304 ? 17.078 -12.675 -12.675 1.00 50.48 ? 306 PRO A N 1 ATOM 2371 C CA . PRO A 1 304 ? 17.909 -13.190 -11.598 1.00 49.55 ? 306 PRO A CA 1 ATOM 2372 C C . PRO A 1 304 ? 19.026 -13.979 -12.252 1.00 48.78 ? 306 PRO A C 1 ATOM 2373 O O . PRO A 1 304 ? 19.007 -14.173 -13.467 1.00 48.38 ? 306 PRO A O 1 ATOM 2374 C CB . PRO A 1 304 ? 16.971 -14.149 -10.851 1.00 49.38 ? 306 PRO A CB 1 ATOM 2375 C CG . PRO A 1 304 ? 15.597 -13.805 -11.309 1.00 49.63 ? 306 PRO A CG 1 ATOM 2376 C CD . PRO A 1 304 ? 15.750 -13.319 -12.695 1.00 50.03 ? 306 PRO A CD 1 ATOM 2377 N N . LYS A 1 305 ? 19.983 -14.446 -11.464 1.00 47.95 ? 307 LYS A N 1 ATOM 2378 C CA A LYS A 1 305 ? 21.066 -15.240 -12.023 1.00 47.42 ? 307 LYS A CA 1 ATOM 2379 C C . LYS A 1 305 ? 20.702 -16.718 -12.009 1.00 46.28 ? 307 LYS A C 1 ATOM 2380 O O . LYS A 1 305 ? 20.153 -17.207 -11.028 1.00 46.35 ? 307 LYS A O 1 ATOM 2381 C CB A LYS A 1 305 ? 22.371 -14.968 -11.264 1.00 47.92 ? 307 LYS A CB 1 ATOM 2382 C CG A LYS A 1 305 ? 22.795 -13.483 -11.274 1.00 49.46 ? 307 LYS A CG 1 ATOM 2383 C CD A LYS A 1 305 ? 23.024 -12.943 -12.711 1.00 50.99 ? 307 LYS A CD 1 ATOM 2384 C CE A LYS A 1 305 ? 22.945 -11.413 -12.765 1.00 51.08 ? 307 LYS A CE 1 ATOM 2385 N NZ A LYS A 1 305 ? 21.540 -10.915 -12.630 1.00 51.93 ? 307 LYS A NZ 1 ATOM 2386 N N . TYR A 1 306 ? 21.005 -17.422 -13.096 1.00 44.97 ? 308 TYR A N 1 ATOM 2387 C CA . TYR A 1 306 ? 20.654 -18.831 -13.216 1.00 43.91 ? 308 TYR A CA 1 ATOM 2388 C C . TYR A 1 306 ? 21.682 -19.800 -12.609 1.00 44.24 ? 308 TYR A C 1 ATOM 2389 O O . TYR A 1 306 ? 22.890 -19.664 -12.830 1.00 44.60 ? 308 TYR A O 1 ATOM 2390 C CB . TYR A 1 306 ? 20.400 -19.182 -14.680 1.00 42.96 ? 308 TYR A CB 1 ATOM 2391 C CG . TYR A 1 306 ? 20.074 -20.633 -14.911 1.00 41.58 ? 308 TYR A CG 1 ATOM 2392 C CD1 . TYR A 1 306 ? 18.787 -21.125 -14.689 1.00 39.91 ? 308 TYR A CD1 1 ATOM 2393 C CD2 . TYR A 1 306 ? 21.055 -21.517 -15.368 1.00 40.91 ? 308 TYR A CD2 1 ATOM 2394 C CE1 . TYR A 1 306 ? 18.494 -22.455 -14.898 1.00 40.26 ? 308 TYR A CE1 1 ATOM 2395 C CE2 . TYR A 1 306 ? 20.772 -22.854 -15.579 1.00 40.33 ? 308 TYR A CE2 1 ATOM 2396 C CZ . TYR A 1 306 ? 19.502 -23.319 -15.340 1.00 41.34 ? 308 TYR A CZ 1 ATOM 2397 O OH . TYR A 1 306 ? 19.238 -24.649 -15.554 1.00 40.81 ? 308 TYR A OH 1 ATOM 2398 N N . VAL A 1 307 ? 21.183 -20.780 -11.854 1.00 44.03 ? 309 VAL A N 1 ATOM 2399 C CA . VAL A 1 307 ? 21.986 -21.892 -11.327 1.00 43.89 ? 309 VAL A CA 1 ATOM 2400 C C . VAL A 1 307 ? 21.208 -23.171 -11.535 1.00 44.09 ? 309 VAL A C 1 ATOM 2401 O O . VAL A 1 307 ? 19.982 -23.144 -11.629 1.00 44.20 ? 309 VAL A O 1 ATOM 2402 C CB . VAL A 1 307 ? 22.317 -21.750 -9.799 1.00 43.79 ? 309 VAL A CB 1 ATOM 2403 C CG1 . VAL A 1 307 ? 23.234 -20.589 -9.548 1.00 42.97 ? 309 VAL A CG1 1 ATOM 2404 C CG2 . VAL A 1 307 ? 21.028 -21.594 -8.957 1.00 43.19 ? 309 VAL A CG2 1 ATOM 2405 N N . LYS A 1 308 ? 21.920 -24.288 -11.571 1.00 44.74 ? 310 LYS A N 1 ATOM 2406 C CA . LYS A 1 308 ? 21.321 -25.615 -11.705 1.00 46.13 ? 310 LYS A CA 1 ATOM 2407 C C . LYS A 1 308 ? 20.640 -26.142 -10.434 1.00 46.08 ? 310 LYS A C 1 ATOM 2408 O O . LYS A 1 308 ? 19.878 -27.112 -10.504 1.00 46.87 ? 310 LYS A O 1 ATOM 2409 C CB . LYS A 1 308 ? 22.386 -26.624 -12.147 1.00 46.09 ? 310 LYS A CB 1 ATOM 2410 C CG . LYS A 1 308 ? 22.690 -26.626 -13.635 1.00 47.72 ? 310 LYS A CG 1 ATOM 2411 C CD . LYS A 1 308 ? 23.853 -27.583 -13.933 1.00 48.40 ? 310 LYS A CD 1 ATOM 2412 C CE . LYS A 1 308 ? 23.646 -28.395 -15.219 1.00 53.34 ? 310 LYS A CE 1 ATOM 2413 N NZ . LYS A 1 308 ? 24.462 -27.892 -16.367 1.00 55.87 ? 310 LYS A NZ 1 ATOM 2414 N N . SER A 1 309 ? 20.901 -25.510 -9.289 1.00 45.56 ? 311 SER A N 1 ATOM 2415 C CA . SER A 1 309 ? 20.445 -26.001 -7.977 1.00 45.27 ? 311 SER A CA 1 ATOM 2416 C C . SER A 1 309 ? 18.954 -26.326 -7.892 1.00 44.87 ? 311 SER A C 1 ATOM 2417 O O . SER A 1 309 ? 18.138 -25.668 -8.523 1.00 44.71 ? 311 SER A O 1 ATOM 2418 C CB . SER A 1 309 ? 20.781 -24.969 -6.892 1.00 45.30 ? 311 SER A CB 1 ATOM 2419 O OG . SER A 1 309 ? 22.090 -24.445 -7.057 1.00 45.37 ? 311 SER A OG 1 ATOM 2420 N N . GLU A 1 310 ? 18.609 -27.338 -7.102 1.00 44.93 ? 312 GLU A N 1 ATOM 2421 C CA . GLU A 1 310 ? 17.213 -27.605 -6.741 1.00 45.55 ? 312 GLU A CA 1 ATOM 2422 C C . GLU A 1 310 ? 16.775 -26.751 -5.549 1.00 44.39 ? 312 GLU A C 1 ATOM 2423 O O . GLU A 1 310 ? 15.586 -26.464 -5.389 1.00 44.01 ? 312 GLU A O 1 ATOM 2424 C CB . GLU A 1 310 ? 16.998 -29.082 -6.407 1.00 45.52 ? 312 GLU A CB 1 ATOM 2425 C CG . GLU A 1 310 ? 16.903 -30.010 -7.621 1.00 48.36 ? 312 GLU A CG 1 ATOM 2426 C CD . GLU A 1 310 ? 16.773 -31.495 -7.240 1.00 48.71 ? 312 GLU A CD 1 ATOM 2427 O OE1 . GLU A 1 310 ? 16.357 -31.814 -6.093 1.00 52.48 ? 312 GLU A OE1 1 ATOM 2428 O OE2 . GLU A 1 310 ? 17.090 -32.351 -8.102 1.00 52.83 ? 312 GLU A OE2 1 ATOM 2429 N N . LYS A 1 311 ? 17.750 -26.356 -4.725 1.00 43.71 ? 313 LYS A N 1 ATOM 2430 C CA . LYS A 1 311 ? 17.512 -25.603 -3.484 1.00 43.32 ? 313 LYS A CA 1 ATOM 2431 C C . LYS A 1 311 ? 18.704 -24.729 -3.061 1.00 42.43 ? 313 LYS A C 1 ATOM 2432 O O . LYS A 1 311 ? 19.868 -25.126 -3.163 1.00 42.56 ? 313 LYS A O 1 ATOM 2433 C CB . LYS A 1 311 ? 17.109 -26.546 -2.332 1.00 43.26 ? 313 LYS A CB 1 ATOM 2434 C CG . LYS A 1 311 ? 18.083 -27.687 -2.081 1.00 43.55 ? 313 LYS A CG 1 ATOM 2435 C CD . LYS A 1 311 ? 17.663 -28.524 -0.881 1.00 44.25 ? 313 LYS A CD 1 ATOM 2436 C CE . LYS A 1 311 ? 18.793 -29.464 -0.465 1.00 45.63 ? 313 LYS A CE 1 ATOM 2437 N NZ . LYS A 1 311 ? 18.351 -30.383 0.616 1.00 47.17 ? 313 LYS A NZ 1 ATOM 2438 N N . LEU A 1 312 ? 18.385 -23.523 -2.608 1.00 41.65 ? 314 LEU A N 1 ATOM 2439 C CA . LEU A 1 312 ? 19.350 -22.595 -2.030 1.00 40.62 ? 314 LEU A CA 1 ATOM 2440 C C . LEU A 1 312 ? 18.657 -21.841 -0.902 1.00 39.80 ? 314 LEU A C 1 ATOM 2441 O O . LEU A 1 312 ? 17.914 -20.879 -1.162 1.00 39.40 ? 314 LEU A O 1 ATOM 2442 C CB . LEU A 1 312 ? 19.853 -21.606 -3.078 1.00 40.83 ? 314 LEU A CB 1 ATOM 2443 C CG . LEU A 1 312 ? 20.916 -22.139 -4.033 1.00 41.37 ? 314 LEU A CG 1 ATOM 2444 C CD1 . LEU A 1 312 ? 21.042 -21.212 -5.217 1.00 41.10 ? 314 LEU A CD1 1 ATOM 2445 C CD2 . LEU A 1 312 ? 22.258 -22.303 -3.313 1.00 40.24 ? 314 LEU A CD2 1 ATOM 2446 N N . VAL A 1 313 ? 18.886 -22.291 0.340 1.00 38.43 ? 315 VAL A N 1 ATOM 2447 C CA . VAL A 1 313 ? 18.262 -21.679 1.520 1.00 37.01 ? 315 VAL A CA 1 ATOM 2448 C C . VAL A 1 313 ? 19.336 -21.287 2.527 1.00 36.26 ? 315 VAL A C 1 ATOM 2449 O O . VAL A 1 313 ? 20.121 -22.128 2.974 1.00 35.71 ? 315 VAL A O 1 ATOM 2450 C CB . VAL A 1 313 ? 17.242 -22.618 2.218 1.00 36.85 ? 315 VAL A CB 1 ATOM 2451 C CG1 . VAL A 1 313 ? 16.414 -21.852 3.249 1.00 35.46 ? 315 VAL A CG1 1 ATOM 2452 C CG2 . VAL A 1 313 ? 16.329 -23.310 1.200 1.00 37.32 ? 315 VAL A CG2 1 ATOM 2453 N N . LEU A 1 314 ? 19.355 -20.004 2.870 1.00 35.52 ? 316 LEU A N 1 ATOM 2454 C CA . LEU A 1 314 ? 20.272 -19.466 3.847 1.00 34.60 ? 316 LEU A CA 1 ATOM 2455 C C . LEU A 1 314 ? 19.619 -19.468 5.215 1.00 34.12 ? 316 LEU A C 1 ATOM 2456 O O . LEU A 1 314 ? 18.518 -18.944 5.376 1.00 34.03 ? 316 LEU A O 1 ATOM 2457 C CB . LEU A 1 314 ? 20.614 -18.029 3.513 1.00 34.80 ? 316 LEU A CB 1 ATOM 2458 C CG . LEU A 1 314 ? 21.656 -17.668 2.468 1.00 35.49 ? 316 LEU A CG 1 ATOM 2459 C CD1 . LEU A 1 314 ? 21.470 -16.195 2.175 1.00 36.42 ? 316 LEU A CD1 1 ATOM 2460 C CD2 . LEU A 1 314 ? 23.065 -17.941 2.975 1.00 35.72 ? 316 LEU A CD2 1 ATOM 2461 N N . ALA A 1 315 ? 20.303 -20.044 6.198 1.00 33.64 ? 317 ALA A N 1 ATOM 2462 C CA . ALA A 1 315 ? 19.915 -19.875 7.590 1.00 32.99 ? 317 ALA A CA 1 ATOM 2463 C C . ALA A 1 315 ? 20.038 -18.392 7.922 1.00 33.03 ? 317 ALA A C 1 ATOM 2464 O O . ALA A 1 315 ? 21.038 -17.749 7.566 1.00 32.72 ? 317 ALA A O 1 ATOM 2465 C CB . ALA A 1 315 ? 20.815 -20.704 8.504 1.00 32.72 ? 317 ALA A CB 1 ATOM 2466 N N . THR A 1 316 ? 19.015 -17.841 8.571 1.00 32.56 ? 318 THR A N 1 ATOM 2467 C CA . THR A 1 316 ? 19.147 -16.514 9.178 1.00 32.34 ? 318 THR A CA 1 ATOM 2468 C C . THR A 1 316 ? 19.012 -16.614 10.701 1.00 32.12 ? 318 THR A C 1 ATOM 2469 O O . THR A 1 316 ? 19.752 -15.961 11.440 1.00 32.38 ? 318 THR A O 1 ATOM 2470 C CB . THR A 1 316 ? 18.112 -15.501 8.620 1.00 32.25 ? 318 THR A CB 1 ATOM 2471 O OG1 . THR A 1 316 ? 16.802 -16.026 8.800 1.00 31.79 ? 318 THR A OG1 1 ATOM 2472 C CG2 . THR A 1 316 ? 18.352 -15.245 7.141 1.00 32.10 ? 318 THR A CG2 1 ATOM 2473 N N . GLY A 1 317 ? 18.056 -17.422 11.160 1.00 31.91 ? 319 GLY A N 1 ATOM 2474 C CA . GLY A 1 317 ? 17.856 -17.640 12.586 1.00 31.32 ? 319 GLY A CA 1 ATOM 2475 C C . GLY A 1 317 ? 18.795 -18.705 13.123 1.00 31.44 ? 319 GLY A C 1 ATOM 2476 O O . GLY A 1 317 ? 19.756 -19.097 12.464 1.00 31.16 ? 319 GLY A O 1 ATOM 2477 N N . LEU A 1 318 ? 18.520 -19.170 14.335 1.00 31.63 ? 320 LEU A N 1 ATOM 2478 C CA . LEU A 1 318 ? 19.371 -20.162 14.978 1.00 31.44 ? 320 LEU A CA 1 ATOM 2479 C C . LEU A 1 318 ? 18.733 -21.524 14.850 1.00 31.30 ? 320 LEU A C 1 ATOM 2480 O O . LEU A 1 318 ? 17.613 -21.652 14.367 1.00 30.54 ? 320 LEU A O 1 ATOM 2481 C CB . LEU A 1 318 ? 19.621 -19.829 16.461 1.00 31.87 ? 320 LEU A CB 1 ATOM 2482 C CG . LEU A 1 318 ? 18.420 -19.533 17.363 1.00 31.66 ? 320 LEU A CG 1 ATOM 2483 C CD1 . LEU A 1 318 ? 18.678 -20.029 18.755 1.00 33.74 ? 320 LEU A CD1 1 ATOM 2484 C CD2 . LEU A 1 318 ? 18.153 -18.056 17.387 1.00 33.25 ? 320 LEU A CD2 1 ATOM 2485 N N . ARG A 1 319 ? 19.481 -22.529 15.278 1.00 31.52 ? 321 ARG A N 1 ATOM 2486 C CA . ARG A 1 319 ? 19.029 -23.893 15.360 1.00 32.55 ? 321 ARG A CA 1 ATOM 2487 C C . ARG A 1 319 ? 17.762 -23.969 16.221 1.00 33.07 ? 321 ARG A C 1 ATOM 2488 O O . ARG A 1 319 ? 17.716 -23.425 17.338 1.00 32.33 ? 321 ARG A O 1 ATOM 2489 C CB . ARG A 1 319 ? 20.157 -24.722 15.964 1.00 32.46 ? 321 ARG A CB 1 ATOM 2490 C CG . ARG A 1 319 ? 19.988 -26.196 15.840 1.00 34.75 ? 321 ARG A CG 1 ATOM 2491 C CD . ARG A 1 319 ? 21.202 -26.899 16.395 1.00 38.04 ? 321 ARG A CD 1 ATOM 2492 N NE . ARG A 1 319 ? 22.384 -26.684 15.562 1.00 39.71 ? 321 ARG A NE 1 ATOM 2493 C CZ . ARG A 1 319 ? 22.839 -27.542 14.658 1.00 39.28 ? 321 ARG A CZ 1 ATOM 2494 N NH1 . ARG A 1 319 ? 22.199 -28.690 14.448 1.00 39.80 ? 321 ARG A NH1 1 ATOM 2495 N NH2 . ARG A 1 319 ? 23.931 -27.245 13.964 1.00 39.03 ? 321 ARG A NH2 1 ATOM 2496 N N . ASN A 1 320 ? 16.733 -24.617 15.685 1.00 34.02 ? 322 ASN A N 1 ATOM 2497 C CA . ASN A 1 320 ? 15.441 -24.675 16.351 1.00 35.90 ? 322 ASN A CA 1 ATOM 2498 C C . ASN A 1 320 ? 15.381 -25.909 17.240 1.00 37.28 ? 322 ASN A C 1 ATOM 2499 O O . ASN A 1 320 ? 15.208 -27.022 16.741 1.00 37.65 ? 322 ASN A O 1 ATOM 2500 C CB . ASN A 1 320 ? 14.298 -24.650 15.327 1.00 35.70 ? 322 ASN A CB 1 ATOM 2501 C CG . ASN A 1 320 ? 12.955 -24.290 15.943 1.00 35.99 ? 322 ASN A CG 1 ATOM 2502 O OD1 . ASN A 1 320 ? 12.875 -23.689 17.019 1.00 33.62 ? 322 ASN A OD1 1 ATOM 2503 N ND2 . ASN A 1 320 ? 11.884 -24.645 15.242 1.00 36.37 ? 322 ASN A ND2 1 ATOM 2504 N N . VAL A 1 321 ? 15.538 -25.690 18.554 1.00 38.90 ? 323 VAL A N 1 ATOM 2505 C CA . VAL A 1 321 ? 15.785 -26.764 19.523 1.00 40.61 ? 323 VAL A CA 1 ATOM 2506 C C . VAL A 1 321 ? 14.558 -27.037 20.413 1.00 42.55 ? 323 VAL A C 1 ATOM 2507 O O . VAL A 1 321 ? 14.189 -26.184 21.238 1.00 42.45 ? 323 VAL A O 1 ATOM 2508 C CB . VAL A 1 321 ? 17.041 -26.472 20.416 1.00 40.27 ? 323 VAL A CB 1 ATOM 2509 C CG1 . VAL A 1 321 ? 17.359 -27.659 21.303 1.00 40.08 ? 323 VAL A CG1 1 ATOM 2510 C CG2 . VAL A 1 321 ? 18.249 -26.109 19.573 1.00 39.66 ? 323 VAL A CG2 1 ATOM 2511 N N . PRO A 1 322 ? 13.921 -28.224 20.235 1.00 44.41 ? 324 PRO A N 1 ATOM 2512 C CA . PRO A 1 322 ? 12.827 -28.794 21.044 1.00 45.54 ? 324 PRO A CA 1 ATOM 2513 C C . PRO A 1 322 ? 12.800 -28.334 22.504 1.00 46.82 ? 324 PRO A C 1 ATOM 2514 O O . PRO A 1 322 ? 13.849 -28.312 23.176 1.00 46.86 ? 324 PRO A O 1 ATOM 2515 C CB . PRO A 1 322 ? 13.118 -30.298 20.991 1.00 45.62 ? 324 PRO A CB 1 ATOM 2516 C CG . PRO A 1 322 ? 13.930 -30.508 19.686 1.00 45.29 ? 324 PRO A CG 1 ATOM 2517 C CD . PRO A 1 322 ? 14.268 -29.137 19.126 1.00 44.67 ? 324 PRO A CD 1 ATOM 2518 N N . GLN A 1 323 ? 11.610 -27.974 22.986 1.00 47.90 ? 325 GLN A N 1 ATOM 2519 C CA . GLN A 1 323 ? 11.453 -27.483 24.361 1.00 49.09 ? 325 GLN A CA 1 ATOM 2520 C C . GLN A 1 323 ? 11.744 -28.557 25.412 1.00 49.06 ? 325 GLN A C 1 ATOM 2521 O O . GLN A 1 323 ? 12.590 -28.371 26.290 1.00 49.32 ? 325 GLN A O 1 ATOM 2522 C CB . GLN A 1 323 ? 10.058 -26.878 24.578 1.00 49.58 ? 325 GLN A CB 1 ATOM 2523 C CG . GLN A 1 323 ? 8.922 -27.572 23.801 1.00 51.64 ? 325 GLN A CG 1 ATOM 2524 C CD . GLN A 1 323 ? 8.694 -29.021 24.231 1.00 53.61 ? 325 GLN A CD 1 ATOM 2525 O OE1 . GLN A 1 323 ? 9.084 -29.959 23.522 1.00 54.95 ? 325 GLN A OE1 1 ATOM 2526 N NE2 . GLN A 1 323 ? 8.066 -29.207 25.393 1.00 52.66 ? 325 GLN A NE2 1 ATOM 2527 N N . GLY B 2 1 ? 27.395 -27.770 18.796 1.00 40.40 ? 1 GLY B N 1 ATOM 2528 C CA . GLY B 2 1 ? 27.785 -26.452 18.203 1.00 36.78 ? 1 GLY B CA 1 ATOM 2529 C C . GLY B 2 1 ? 29.161 -26.056 18.676 1.00 36.22 ? 1 GLY B C 1 ATOM 2530 O O . GLY B 2 1 ? 29.591 -26.452 19.753 1.00 36.93 ? 1 GLY B O 1 ATOM 2531 N N . LEU B 2 2 ? 29.839 -25.247 17.877 1.00 35.17 ? 2 LEU B N 1 ATOM 2532 C CA . LEU B 2 2 ? 31.242 -24.921 18.089 1.00 35.37 ? 2 LEU B CA 1 ATOM 2533 C C . LEU B 2 2 ? 31.494 -24.249 19.430 1.00 35.44 ? 2 LEU B C 1 ATOM 2534 O O . LEU B 2 2 ? 32.550 -24.441 20.031 1.00 36.41 ? 2 LEU B O 1 ATOM 2535 C CB . LEU B 2 2 ? 31.708 -24.012 16.955 1.00 35.13 ? 2 LEU B CB 1 ATOM 2536 C CG . LEU B 2 2 ? 33.039 -24.233 16.247 1.00 35.76 ? 2 LEU B CG 1 ATOM 2537 C CD1 . LEU B 2 2 ? 33.288 -25.692 15.857 1.00 36.11 ? 2 LEU B CD1 1 ATOM 2538 C CD2 . LEU B 2 2 ? 33.051 -23.339 15.039 1.00 34.65 ? 2 LEU B CD2 1 ATOM 2539 N N . PHE B 2 3 ? 30.513 -23.474 19.895 1.00 33.63 ? 3 PHE B N 1 ATOM 2540 C CA . PHE B 2 3 ? 30.653 -22.699 21.121 1.00 33.80 ? 3 PHE B CA 1 ATOM 2541 C C . PHE B 2 3 ? 29.977 -23.324 22.360 1.00 34.76 ? 3 PHE B C 1 ATOM 2542 O O . PHE B 2 3 ? 30.114 -22.824 23.468 1.00 35.90 ? 3 PHE B O 1 ATOM 2543 C CB . PHE B 2 3 ? 30.269 -21.231 20.858 1.00 31.79 ? 3 PHE B CB 1 ATOM 2544 C CG . PHE B 2 3 ? 31.228 -20.549 19.939 1.00 31.40 ? 3 PHE B CG 1 ATOM 2545 C CD1 . PHE B 2 3 ? 32.355 -19.910 20.447 1.00 32.12 ? 3 PHE B CD1 1 ATOM 2546 C CD2 . PHE B 2 3 ? 31.065 -20.629 18.550 1.00 30.36 ? 3 PHE B CD2 1 ATOM 2547 C CE1 . PHE B 2 3 ? 33.272 -19.320 19.592 1.00 34.01 ? 3 PHE B CE1 1 ATOM 2548 C CE2 . PHE B 2 3 ? 31.967 -20.055 17.698 1.00 30.80 ? 3 PHE B CE2 1 ATOM 2549 C CZ . PHE B 2 3 ? 33.078 -19.396 18.212 1.00 32.50 ? 3 PHE B CZ 1 ATOM 2550 N N . GLY B 2 4 ? 29.287 -24.445 22.153 1.00 35.38 ? 4 GLY B N 1 ATOM 2551 C CA . GLY B 2 4 ? 28.778 -25.277 23.229 1.00 36.79 ? 4 GLY B CA 1 ATOM 2552 C C . GLY B 2 4 ? 27.602 -24.785 24.049 1.00 36.43 ? 4 GLY B C 1 ATOM 2553 O O . GLY B 2 4 ? 27.300 -25.380 25.082 1.00 38.53 ? 4 GLY B O 1 ATOM 2554 N N . ALA B 2 5 ? 26.936 -23.722 23.609 1.00 34.24 ? 5 ALA B N 1 ATOM 2555 C CA . ALA B 2 5 ? 25.782 -23.189 24.332 1.00 34.15 ? 5 ALA B CA 1 ATOM 2556 C C . ALA B 2 5 ? 24.426 -23.683 23.802 1.00 34.46 ? 5 ALA B C 1 ATOM 2557 O O . ALA B 2 5 ? 23.655 -24.283 24.537 1.00 36.10 ? 5 ALA B O 1 ATOM 2558 C CB . ALA B 2 5 ? 25.837 -21.648 24.367 1.00 32.16 ? 5 ALA B CB 1 ATOM 2559 N N . ILE B 2 6 ? 24.145 -23.414 22.536 1.00 33.63 ? 6 ILE B N 1 ATOM 2560 C CA . ILE B 2 6 ? 22.905 -23.844 21.889 1.00 34.83 ? 6 ILE B CA 1 ATOM 2561 C C . ILE B 2 6 ? 22.938 -25.351 21.691 1.00 36.49 ? 6 ILE B C 1 ATOM 2562 O O . ILE B 2 6 ? 23.940 -25.884 21.197 1.00 36.13 ? 6 ILE B O 1 ATOM 2563 C CB . ILE B 2 6 ? 22.689 -23.108 20.527 1.00 33.68 ? 6 ILE B CB 1 ATOM 2564 C CG1 . ILE B 2 6 ? 22.453 -21.614 20.779 1.00 32.13 ? 6 ILE B CG1 1 ATOM 2565 C CG2 . ILE B 2 6 ? 21.538 -23.742 19.742 1.00 35.17 ? 6 ILE B CG2 1 ATOM 2566 C CD1 . ILE B 2 6 ? 22.404 -20.760 19.524 1.00 32.65 ? 6 ILE B CD1 1 ATOM 2567 N N . ALA B 2 7 ? 21.846 -26.024 22.081 1.00 38.08 ? 7 ALA B N 1 ATOM 2568 C CA . ALA B 2 7 ? 21.803 -27.479 22.194 1.00 40.30 ? 7 ALA B CA 1 ATOM 2569 C C . ALA B 2 7 ? 23.023 -28.013 22.954 1.00 40.74 ? 7 ALA B C 1 ATOM 2570 O O . ALA B 2 7 ? 23.487 -29.125 22.704 1.00 42.43 ? 7 ALA B O 1 ATOM 2571 C CB . ALA B 2 7 ? 21.662 -28.154 20.805 1.00 41.65 ? 7 ALA B CB 1 ATOM 2572 N N . GLY B 2 8 ? 23.527 -27.209 23.891 1.00 39.89 ? 8 GLY B N 1 ATOM 2573 C CA . GLY B 2 8 ? 24.750 -27.515 24.636 1.00 40.12 ? 8 GLY B CA 1 ATOM 2574 C C . GLY B 2 8 ? 24.456 -27.461 26.114 1.00 41.00 ? 8 GLY B C 1 ATOM 2575 O O . GLY B 2 8 ? 23.552 -28.154 26.578 1.00 42.91 ? 8 GLY B O 1 ATOM 2576 N N . PHE B 2 9 ? 25.191 -26.627 26.857 1.00 39.96 ? 9 PHE B N 1 ATOM 2577 C CA . PHE B 2 9 ? 24.943 -26.510 28.290 1.00 40.49 ? 9 PHE B CA 1 ATOM 2578 C C . PHE B 2 9 ? 23.590 -25.832 28.528 1.00 40.13 ? 9 PHE B C 1 ATOM 2579 O O . PHE B 2 9 ? 22.960 -26.049 29.560 1.00 40.82 ? 9 PHE B O 1 ATOM 2580 C CB . PHE B 2 9 ? 26.108 -25.843 29.063 1.00 39.71 ? 9 PHE B CB 1 ATOM 2581 C CG . PHE B 2 9 ? 26.244 -24.353 28.840 1.00 37.88 ? 9 PHE B CG 1 ATOM 2582 C CD1 . PHE B 2 9 ? 25.546 -23.444 29.628 1.00 38.11 ? 9 PHE B CD1 1 ATOM 2583 C CD2 . PHE B 2 9 ? 27.106 -23.863 27.878 1.00 37.22 ? 9 PHE B CD2 1 ATOM 2584 C CE1 . PHE B 2 9 ? 25.681 -22.072 29.431 1.00 36.04 ? 9 PHE B CE1 1 ATOM 2585 C CE2 . PHE B 2 9 ? 27.240 -22.496 27.670 1.00 37.61 ? 9 PHE B CE2 1 ATOM 2586 C CZ . PHE B 2 9 ? 26.527 -21.592 28.451 1.00 35.17 ? 9 PHE B CZ 1 ATOM 2587 N N . ILE B 2 10 ? 23.144 -25.021 27.568 1.00 38.99 ? 10 ILE B N 1 ATOM 2588 C CA . ILE B 2 10 ? 21.761 -24.553 27.579 1.00 39.89 ? 10 ILE B CA 1 ATOM 2589 C C . ILE B 2 10 ? 20.992 -25.507 26.665 1.00 41.77 ? 10 ILE B C 1 ATOM 2590 O O . ILE B 2 10 ? 20.959 -25.345 25.440 1.00 41.25 ? 10 ILE B O 1 ATOM 2591 C CB . ILE B 2 10 ? 21.607 -23.045 27.217 1.00 38.00 ? 10 ILE B CB 1 ATOM 2592 C CG1 . ILE B 2 10 ? 22.515 -22.198 28.121 1.00 37.33 ? 10 ILE B CG1 1 ATOM 2593 C CG2 . ILE B 2 10 ? 20.156 -22.619 27.375 1.00 37.96 ? 10 ILE B CG2 1 ATOM 2594 C CD1 . ILE B 2 10 ? 22.648 -20.748 27.748 1.00 35.86 ? 10 ILE B CD1 1 ATOM 2595 N N . GLU B 2 11 ? 20.392 -26.511 27.301 1.00 44.77 ? 11 GLU B N 1 ATOM 2596 C CA . GLU B 2 11 ? 19.822 -27.693 26.648 1.00 47.40 ? 11 GLU B CA 1 ATOM 2597 C C . GLU B 2 11 ? 18.752 -27.441 25.592 1.00 47.56 ? 11 GLU B C 1 ATOM 2598 O O . GLU B 2 11 ? 18.712 -28.134 24.574 1.00 48.54 ? 11 GLU B O 1 ATOM 2599 C CB . GLU B 2 11 ? 19.231 -28.615 27.706 1.00 50.47 ? 11 GLU B CB 1 ATOM 2600 C CG . GLU B 2 11 ? 20.220 -29.490 28.433 1.00 53.86 ? 11 GLU B CG 1 ATOM 2601 C CD . GLU B 2 11 ? 19.527 -30.681 29.073 1.00 60.92 ? 11 GLU B CD 1 ATOM 2602 O OE1 . GLU B 2 11 ? 19.358 -30.671 30.317 1.00 62.87 ? 11 GLU B OE1 1 ATOM 2603 O OE2 . GLU B 2 11 ? 19.129 -31.614 28.317 1.00 64.07 ? 11 GLU B OE2 1 ATOM 2604 N N . GLY B 2 12 ? 17.866 -26.482 25.848 1.00 46.94 ? 12 GLY B N 1 ATOM 2605 C CA . GLY B 2 12 ? 16.751 -26.232 24.940 1.00 47.88 ? 12 GLY B CA 1 ATOM 2606 C C . GLY B 2 12 ? 16.452 -24.766 24.709 1.00 46.14 ? 12 GLY B C 1 ATOM 2607 O O . GLY B 2 12 ? 16.887 -23.900 25.468 1.00 44.67 ? 12 GLY B O 1 ATOM 2608 N N . GLY B 2 13 ? 15.693 -24.493 23.657 1.00 46.84 ? 13 GLY B N 1 ATOM 2609 C CA . GLY B 2 13 ? 15.235 -23.139 23.376 1.00 46.10 ? 13 GLY B CA 1 ATOM 2610 C C . GLY B 2 13 ? 13.920 -22.808 24.046 1.00 48.27 ? 13 GLY B C 1 ATOM 2611 O O . GLY B 2 13 ? 13.195 -23.708 24.494 1.00 50.54 ? 13 GLY B O 1 ATOM 2612 N N . TRP B 2 14 ? 13.618 -21.511 24.105 1.00 47.99 ? 14 TRP B N 1 ATOM 2613 C CA . TRP B 2 14 ? 12.414 -21.011 24.767 1.00 50.52 ? 14 TRP B CA 1 ATOM 2614 C C . TRP B 2 14 ? 11.341 -20.566 23.776 1.00 53.43 ? 14 TRP B C 1 ATOM 2615 O O . TRP B 2 14 ? 11.480 -19.526 23.124 1.00 53.09 ? 14 TRP B O 1 ATOM 2616 C CB . TRP B 2 14 ? 12.748 -19.841 25.697 1.00 48.44 ? 14 TRP B CB 1 ATOM 2617 C CG . TRP B 2 14 ? 13.562 -20.188 26.889 1.00 46.63 ? 14 TRP B CG 1 ATOM 2618 C CD1 . TRP B 2 14 ? 13.620 -21.397 27.526 1.00 47.16 ? 14 TRP B CD1 1 ATOM 2619 C CD2 . TRP B 2 14 ? 14.417 -19.303 27.626 1.00 44.61 ? 14 TRP B CD2 1 ATOM 2620 N NE1 . TRP B 2 14 ? 14.467 -21.325 28.604 1.00 45.18 ? 14 TRP B NE1 1 ATOM 2621 C CE2 . TRP B 2 14 ? 14.971 -20.051 28.691 1.00 43.69 ? 14 TRP B CE2 1 ATOM 2622 C CE3 . TRP B 2 14 ? 14.775 -17.951 27.488 1.00 44.00 ? 14 TRP B CE3 1 ATOM 2623 C CZ2 . TRP B 2 14 ? 15.865 -19.496 29.612 1.00 41.12 ? 14 TRP B CZ2 1 ATOM 2624 C CZ3 . TRP B 2 14 ? 15.663 -17.395 28.413 1.00 42.43 ? 14 TRP B CZ3 1 ATOM 2625 C CH2 . TRP B 2 14 ? 16.193 -18.172 29.465 1.00 40.68 ? 14 TRP B CH2 1 ATOM 2626 N N . GLN B 2 15 ? 10.279 -21.359 23.673 1.00 57.43 ? 15 GLN B N 1 ATOM 2627 C CA . GLN B 2 15 ? 9.070 -20.988 22.932 1.00 61.49 ? 15 GLN B CA 1 ATOM 2628 C C . GLN B 2 15 ? 8.416 -19.726 23.505 1.00 62.94 ? 15 GLN B C 1 ATOM 2629 O O . GLN B 2 15 ? 7.806 -18.945 22.771 1.00 64.49 ? 15 GLN B O 1 ATOM 2630 C CB . GLN B 2 15 ? 8.058 -22.142 22.952 1.00 65.28 ? 15 GLN B CB 1 ATOM 2631 C CG . GLN B 2 15 ? 8.560 -23.430 22.307 1.00 66.33 ? 15 GLN B CG 1 ATOM 2632 C CD . GLN B 2 15 ? 8.080 -23.598 20.883 1.00 69.04 ? 15 GLN B CD 1 ATOM 2633 O OE1 . GLN B 2 15 ? 6.897 -23.397 20.579 1.00 73.62 ? 15 GLN B OE1 1 ATOM 2634 N NE2 . GLN B 2 15 ? 8.985 -23.986 20.006 1.00 67.36 ? 15 GLN B NE2 1 ATOM 2635 N N . GLY B 2 16 ? 8.545 -19.545 24.817 1.00 63.08 ? 16 GLY B N 1 ATOM 2636 C CA . GLY B 2 16 ? 7.948 -18.419 25.520 1.00 65.05 ? 16 GLY B CA 1 ATOM 2637 C C . GLY B 2 16 ? 8.679 -17.096 25.378 1.00 63.31 ? 16 GLY B C 1 ATOM 2638 O O . GLY B 2 16 ? 8.188 -16.067 25.838 1.00 65.03 ? 16 GLY B O 1 ATOM 2639 N N . MET B 2 17 ? 9.860 -17.109 24.770 1.00 60.77 ? 17 MET B N 1 ATOM 2640 C CA . MET B 2 17 ? 10.533 -15.855 24.438 1.00 59.98 ? 17 MET B CA 1 ATOM 2641 C C . MET B 2 17 ? 10.318 -15.500 22.970 1.00 60.52 ? 17 MET B C 1 ATOM 2642 O O . MET B 2 17 ? 10.969 -16.046 22.078 1.00 58.82 ? 17 MET B O 1 ATOM 2643 C CB . MET B 2 17 ? 12.018 -15.899 24.760 1.00 56.15 ? 17 MET B CB 1 ATOM 2644 C CG . MET B 2 17 ? 12.663 -14.544 24.580 1.00 55.09 ? 17 MET B CG 1 ATOM 2645 S SD . MET B 2 17 ? 14.385 -14.537 25.023 1.00 54.05 ? 17 MET B SD 1 ATOM 2646 C CE . MET B 2 17 ? 15.058 -15.568 23.711 1.00 49.29 ? 17 MET B CE 1 ATOM 2647 N N . VAL B 2 18 ? 9.410 -14.558 22.743 1.00 63.63 ? 18 VAL B N 1 ATOM 2648 C CA . VAL B 2 18 ? 8.880 -14.285 21.409 1.00 65.59 ? 18 VAL B CA 1 ATOM 2649 C C . VAL B 2 18 ? 9.494 -13.075 20.698 1.00 64.53 ? 18 VAL B C 1 ATOM 2650 O O . VAL B 2 18 ? 9.387 -12.966 19.472 1.00 65.02 ? 18 VAL B O 1 ATOM 2651 C CB . VAL B 2 18 ? 7.332 -14.140 21.441 1.00 70.22 ? 18 VAL B CB 1 ATOM 2652 C CG1 . VAL B 2 18 ? 6.676 -15.507 21.526 1.00 72.42 ? 18 VAL B CG1 1 ATOM 2653 C CG2 . VAL B 2 18 ? 6.887 -13.244 22.603 1.00 71.99 ? 18 VAL B CG2 1 ATOM 2654 N N . ASP B 2 19 ? 10.130 -12.177 21.454 1.00 63.38 ? 19 ASP B N 1 ATOM 2655 C CA . ASP B 2 19 ? 10.573 -10.893 20.889 1.00 63.72 ? 19 ASP B CA 1 ATOM 2656 C C . ASP B 2 19 ? 12.091 -10.718 20.718 1.00 59.54 ? 19 ASP B C 1 ATOM 2657 O O . ASP B 2 19 ? 12.624 -9.611 20.835 1.00 59.84 ? 19 ASP B O 1 ATOM 2658 C CB . ASP B 2 19 ? 9.927 -9.700 21.625 1.00 67.15 ? 19 ASP B CB 1 ATOM 2659 C CG . ASP B 2 19 ? 10.345 -9.593 23.080 1.00 68.16 ? 19 ASP B CG 1 ATOM 2660 O OD1 . ASP B 2 19 ? 10.976 -10.536 23.622 1.00 69.34 ? 19 ASP B OD1 1 ATOM 2661 O OD2 . ASP B 2 19 ? 10.025 -8.546 23.693 1.00 72.10 ? 19 ASP B OD2 1 ATOM 2662 N N . GLY B 2 20 ? 12.775 -11.809 20.406 1.00 55.94 ? 20 GLY B N 1 ATOM 2663 C CA . GLY B 2 20 ? 14.199 -11.746 20.136 1.00 51.76 ? 20 GLY B CA 1 ATOM 2664 C C . GLY B 2 20 ? 14.830 -13.116 20.072 1.00 48.39 ? 20 GLY B C 1 ATOM 2665 O O . GLY B 2 20 ? 14.178 -14.124 20.355 1.00 48.81 ? 20 GLY B O 1 ATOM 2666 N N . TRP B 2 21 ? 16.108 -13.143 19.712 1.00 45.16 ? 21 TRP B N 1 ATOM 2667 C CA . TRP B 2 21 ? 16.828 -14.396 19.530 1.00 42.31 ? 21 TRP B CA 1 ATOM 2668 C C . TRP B 2 21 ? 17.439 -14.918 20.814 1.00 40.10 ? 21 TRP B C 1 ATOM 2669 O O . TRP B 2 21 ? 17.557 -16.121 20.997 1.00 38.85 ? 21 TRP B O 1 ATOM 2670 C CB . TRP B 2 21 ? 17.930 -14.245 18.477 1.00 41.38 ? 21 TRP B CB 1 ATOM 2671 C CG . TRP B 2 21 ? 17.476 -14.413 17.056 1.00 42.22 ? 21 TRP B CG 1 ATOM 2672 C CD1 . TRP B 2 21 ? 16.507 -15.267 16.584 1.00 44.67 ? 21 TRP B CD1 1 ATOM 2673 C CD2 . TRP B 2 21 ? 18.004 -13.735 15.916 1.00 42.74 ? 21 TRP B CD2 1 ATOM 2674 N NE1 . TRP B 2 21 ? 16.396 -15.147 15.209 1.00 45.55 ? 21 TRP B NE1 1 ATOM 2675 C CE2 . TRP B 2 21 ? 17.308 -14.217 14.777 1.00 44.13 ? 21 TRP B CE2 1 ATOM 2676 C CE3 . TRP B 2 21 ? 19.003 -12.764 15.741 1.00 42.74 ? 21 TRP B CE3 1 ATOM 2677 C CZ2 . TRP B 2 21 ? 17.566 -13.747 13.492 1.00 43.52 ? 21 TRP B CZ2 1 ATOM 2678 C CZ3 . TRP B 2 21 ? 19.260 -12.295 14.453 1.00 42.53 ? 21 TRP B CZ3 1 ATOM 2679 C CH2 . TRP B 2 21 ? 18.549 -12.792 13.349 1.00 43.36 ? 21 TRP B CH2 1 ATOM 2680 N N . TYR B 2 22 ? 17.857 -14.004 21.680 1.00 39.64 ? 22 TYR B N 1 ATOM 2681 C CA . TYR B 2 22 ? 18.540 -14.364 22.928 1.00 38.34 ? 22 TYR B CA 1 ATOM 2682 C C . TYR B 2 22 ? 17.979 -13.514 24.048 1.00 39.61 ? 22 TYR B C 1 ATOM 2683 O O . TYR B 2 22 ? 17.519 -12.393 23.814 1.00 40.61 ? 22 TYR B O 1 ATOM 2684 C CB . TYR B 2 22 ? 20.055 -14.123 22.847 1.00 36.62 ? 22 TYR B CB 1 ATOM 2685 C CG . TYR B 2 22 ? 20.671 -14.179 21.468 1.00 35.43 ? 22 TYR B CG 1 ATOM 2686 C CD1 . TYR B 2 22 ? 20.777 -15.383 20.771 1.00 34.52 ? 22 TYR B CD1 1 ATOM 2687 C CD2 . TYR B 2 22 ? 21.167 -13.026 20.866 1.00 35.86 ? 22 TYR B CD2 1 ATOM 2688 C CE1 . TYR B 2 22 ? 21.348 -15.437 19.520 1.00 33.58 ? 22 TYR B CE1 1 ATOM 2689 C CE2 . TYR B 2 22 ? 21.734 -13.066 19.602 1.00 35.18 ? 22 TYR B CE2 1 ATOM 2690 C CZ . TYR B 2 22 ? 21.826 -14.281 18.941 1.00 34.54 ? 22 TYR B CZ 1 ATOM 2691 O OH . TYR B 2 22 ? 22.380 -14.340 17.694 1.00 34.56 ? 22 TYR B OH 1 ATOM 2692 N N . GLY B 2 23 ? 18.013 -14.051 25.265 1.00 39.50 ? 23 GLY B N 1 ATOM 2693 C CA . GLY B 2 23 ? 17.521 -13.316 26.415 1.00 40.31 ? 23 GLY B CA 1 ATOM 2694 C C . GLY B 2 23 ? 17.479 -14.060 27.734 1.00 40.13 ? 23 GLY B C 1 ATOM 2695 O O . GLY B 2 23 ? 18.284 -14.965 27.995 1.00 38.67 ? 23 GLY B O 1 ATOM 2696 N N . TYR B 2 24 ? 16.513 -13.664 28.557 1.00 42.04 ? 24 TYR B N 1 ATOM 2697 C CA . TYR B 2 24 ? 16.483 -14.007 29.970 1.00 42.51 ? 24 TYR B CA 1 ATOM 2698 C C . TYR B 2 24 ? 15.150 -14.593 30.395 1.00 44.75 ? 24 TYR B C 1 ATOM 2699 O O . TYR B 2 24 ? 14.101 -14.251 29.855 1.00 46.65 ? 24 TYR B O 1 ATOM 2700 C CB . TYR B 2 24 ? 16.753 -12.753 30.819 1.00 42.73 ? 24 TYR B CB 1 ATOM 2701 C CG . TYR B 2 24 ? 17.944 -11.920 30.369 1.00 42.19 ? 24 TYR B CG 1 ATOM 2702 C CD1 . TYR B 2 24 ? 19.239 -12.237 30.792 1.00 41.66 ? 24 TYR B CD1 1 ATOM 2703 C CD2 . TYR B 2 24 ? 17.774 -10.810 29.534 1.00 42.13 ? 24 TYR B CD2 1 ATOM 2704 C CE1 . TYR B 2 24 ? 20.343 -11.472 30.392 1.00 40.21 ? 24 TYR B CE1 1 ATOM 2705 C CE2 . TYR B 2 24 ? 18.861 -10.039 29.132 1.00 41.93 ? 24 TYR B CE2 1 ATOM 2706 C CZ . TYR B 2 24 ? 20.145 -10.384 29.567 1.00 41.70 ? 24 TYR B CZ 1 ATOM 2707 O OH . TYR B 2 24 ? 21.230 -9.641 29.185 1.00 42.09 ? 24 TYR B OH 1 ATOM 2708 N N . HIS B 2 25 ? 15.214 -15.503 31.354 1.00 45.08 ? 25 HIS B N 1 ATOM 2709 C CA . HIS B 2 25 ? 14.065 -15.863 32.148 1.00 47.54 ? 25 HIS B CA 1 ATOM 2710 C C . HIS B 2 25 ? 14.502 -15.654 33.579 1.00 47.31 ? 25 HIS B C 1 ATOM 2711 O O . HIS B 2 25 ? 15.491 -16.244 34.022 1.00 46.28 ? 25 HIS B O 1 ATOM 2712 C CB . HIS B 2 25 ? 13.637 -17.312 31.924 1.00 48.38 ? 25 HIS B CB 1 ATOM 2713 C CG . HIS B 2 25 ? 12.466 -17.721 32.756 1.00 50.77 ? 25 HIS B CG 1 ATOM 2714 N ND1 . HIS B 2 25 ? 11.167 -17.660 32.295 1.00 54.51 ? 25 HIS B ND1 1 ATOM 2715 C CD2 . HIS B 2 25 ? 12.392 -18.168 34.030 1.00 51.85 ? 25 HIS B CD2 1 ATOM 2716 C CE1 . HIS B 2 25 ? 10.346 -18.065 33.247 1.00 55.77 ? 25 HIS B CE1 1 ATOM 2717 N NE2 . HIS B 2 25 ? 11.064 -18.369 34.314 1.00 54.48 ? 25 HIS B NE2 1 ATOM 2718 N N . HIS B 2 26 ? 13.775 -14.796 34.285 1.00 49.08 ? 26 HIS B N 1 ATOM 2719 C CA . HIS B 2 26 ? 14.033 -14.513 35.692 1.00 49.41 ? 26 HIS B CA 1 ATOM 2720 C C . HIS B 2 26 ? 12.987 -15.179 36.586 1.00 52.03 ? 26 HIS B C 1 ATOM 2721 O O . HIS B 2 26 ? 11.880 -15.504 36.148 1.00 54.08 ? 26 HIS B O 1 ATOM 2722 C CB . HIS B 2 26 ? 14.047 -13.002 35.948 1.00 49.30 ? 26 HIS B CB 1 ATOM 2723 C CG . HIS B 2 26 ? 12.683 -12.391 35.998 1.00 52.15 ? 26 HIS B CG 1 ATOM 2724 N ND1 . HIS B 2 26 ? 12.026 -11.936 34.873 1.00 51.93 ? 26 HIS B ND1 1 ATOM 2725 C CD2 . HIS B 2 26 ? 11.841 -12.178 37.038 1.00 52.94 ? 26 HIS B CD2 1 ATOM 2726 C CE1 . HIS B 2 26 ? 10.840 -11.464 35.218 1.00 55.01 ? 26 HIS B CE1 1 ATOM 2727 N NE2 . HIS B 2 26 ? 10.702 -11.601 36.525 1.00 57.00 ? 26 HIS B NE2 1 ATOM 2728 N N . SER B 2 27 ? 13.347 -15.358 37.852 1.00 52.06 ? 27 SER B N 1 ATOM 2729 C CA . SER B 2 27 ? 12.445 -15.930 38.823 1.00 54.78 ? 27 SER B CA 1 ATOM 2730 C C . SER B 2 27 ? 12.768 -15.356 40.195 1.00 54.55 ? 27 SER B C 1 ATOM 2731 O O . SER B 2 27 ? 13.868 -15.561 40.706 1.00 52.77 ? 27 SER B O 1 ATOM 2732 C CB . SER B 2 27 ? 12.583 -17.454 38.823 1.00 54.98 ? 27 SER B CB 1 ATOM 2733 O OG . SER B 2 27 ? 11.446 -18.064 39.396 1.00 59.10 ? 27 SER B OG 1 ATOM 2734 N N . ASN B 2 28 ? 11.818 -14.620 40.773 1.00 56.94 ? 28 ASN B N 1 ATOM 2735 C CA . ASN B 2 28 ? 11.970 -14.063 42.127 1.00 57.28 ? 28 ASN B CA 1 ATOM 2736 C C . ASN B 2 28 ? 10.640 -14.002 42.898 1.00 60.71 ? 28 ASN B C 1 ATOM 2737 O O . ASN B 2 28 ? 9.635 -14.549 42.425 1.00 62.99 ? 28 ASN B O 1 ATOM 2738 C CB . ASN B 2 28 ? 12.688 -12.697 42.085 1.00 55.74 ? 28 ASN B CB 1 ATOM 2739 C CG . ASN B 2 28 ? 11.906 -11.637 41.332 1.00 56.96 ? 28 ASN B CG 1 ATOM 2740 O OD1 . ASN B 2 28 ? 10.720 -11.800 41.063 1.00 59.42 ? 28 ASN B OD1 1 ATOM 2741 N ND2 . ASN B 2 28 ? 12.574 -10.540 40.987 1.00 55.70 ? 28 ASN B ND2 1 ATOM 2742 N N . ASP B 2 29 ? 10.634 -13.347 44.066 1.00 61.49 ? 29 ASP B N 1 ATOM 2743 C CA . ASP B 2 29 ? 9.415 -13.207 44.887 1.00 65.29 ? 29 ASP B CA 1 ATOM 2744 C C . ASP B 2 29 ? 8.250 -12.540 44.150 1.00 68.35 ? 29 ASP B C 1 ATOM 2745 O O . ASP B 2 29 ? 7.103 -12.954 44.296 1.00 71.46 ? 29 ASP B O 1 ATOM 2746 C CB . ASP B 2 29 ? 9.691 -12.435 46.188 1.00 65.24 ? 29 ASP B CB 1 ATOM 2747 C CG . ASP B 2 29 ? 10.364 -13.290 47.264 1.00 65.31 ? 29 ASP B CG 1 ATOM 2748 O OD1 . ASP B 2 29 ? 10.455 -14.530 47.103 1.00 66.56 ? 29 ASP B OD1 1 ATOM 2749 O OD2 . ASP B 2 29 ? 10.796 -12.713 48.289 1.00 65.95 ? 29 ASP B OD2 1 ATOM 2750 N N . GLN B 2 30 ? 8.556 -11.510 43.362 1.00 68.13 ? 30 GLN B N 1 ATOM 2751 C CA . GLN B 2 30 ? 7.550 -10.750 42.612 1.00 71.01 ? 30 GLN B CA 1 ATOM 2752 C C . GLN B 2 30 ? 6.917 -11.566 41.494 1.00 72.19 ? 30 GLN B C 1 ATOM 2753 O O . GLN B 2 30 ? 5.795 -11.285 41.077 1.00 75.79 ? 30 GLN B O 1 ATOM 2754 C CB . GLN B 2 30 ? 8.172 -9.480 42.033 1.00 70.22 ? 30 GLN B CB 1 ATOM 2755 C CG . GLN B 2 30 ? 8.322 -8.367 43.040 1.00 70.79 ? 30 GLN B CG 1 ATOM 2756 C CD . GLN B 2 30 ? 9.550 -7.527 42.799 1.00 69.26 ? 30 GLN B CD 1 ATOM 2757 O OE1 . GLN B 2 30 ? 10.672 -7.964 43.053 1.00 66.65 ? 30 GLN B OE1 1 ATOM 2758 N NE2 . GLN B 2 30 ? 9.346 -6.304 42.322 1.00 71.75 ? 30 GLN B NE2 1 ATOM 2759 N N . GLY B 2 31 ? 7.649 -12.566 41.008 1.00 69.69 ? 31 GLY B N 1 ATOM 2760 C CA . GLY B 2 31 ? 7.161 -13.458 39.964 1.00 70.33 ? 31 GLY B CA 1 ATOM 2761 C C . GLY B 2 31 ? 8.235 -13.870 38.980 1.00 67.08 ? 31 GLY B C 1 ATOM 2762 O O . GLY B 2 31 ? 9.421 -13.879 39.308 1.00 64.33 ? 31 GLY B O 1 ATOM 2763 N N . SER B 2 32 ? 7.810 -14.211 37.768 1.00 67.69 ? 32 SER B N 1 ATOM 2764 C CA . SER B 2 32 ? 8.702 -14.710 36.740 1.00 64.80 ? 32 SER B CA 1 ATOM 2765 C C . SER B 2 32 ? 8.289 -14.245 35.335 1.00 65.74 ? 32 SER B C 1 ATOM 2766 O O . SER B 2 32 ? 7.229 -13.649 35.163 1.00 68.87 ? 32 SER B O 1 ATOM 2767 C CB . SER B 2 32 ? 8.802 -16.239 36.825 1.00 64.81 ? 32 SER B CB 1 ATOM 2768 O OG . SER B 2 32 ? 7.541 -16.856 36.677 1.00 67.31 ? 32 SER B OG 1 ATOM 2769 N N . GLY B 2 33 ? 9.143 -14.507 34.344 1.00 63.26 ? 33 GLY B N 1 ATOM 2770 C CA . GLY B 2 33 ? 8.890 -14.109 32.956 1.00 63.43 ? 33 GLY B CA 1 ATOM 2771 C C . GLY B 2 33 ? 10.118 -14.038 32.053 1.00 60.11 ? 33 GLY B C 1 ATOM 2772 O O . GLY B 2 33 ? 11.248 -13.913 32.530 1.00 57.48 ? 33 GLY B O 1 ATOM 2773 N N . TYR B 2 34 ? 9.875 -14.101 30.741 1.00 60.40 ? 34 TYR B N 1 ATOM 2774 C CA . TYR B 2 34 ? 10.916 -14.013 29.707 1.00 57.48 ? 34 TYR B CA 1 ATOM 2775 C C . TYR B 2 34 ? 11.109 -12.583 29.220 1.00 57.93 ? 34 TYR B C 1 ATOM 2776 O O . TYR B 2 34 ? 10.162 -11.809 29.163 1.00 60.79 ? 34 TYR B O 1 ATOM 2777 C CB . TYR B 2 34 ? 10.550 -14.877 28.495 1.00 57.24 ? 34 TYR B CB 1 ATOM 2778 C CG . TYR B 2 34 ? 10.393 -16.351 28.786 1.00 56.73 ? 34 TYR B CG 1 ATOM 2779 C CD1 . TYR B 2 34 ? 11.497 -17.199 28.790 1.00 53.21 ? 34 TYR B CD1 1 ATOM 2780 C CD2 . TYR B 2 34 ? 9.133 -16.905 29.037 1.00 59.37 ? 34 TYR B CD2 1 ATOM 2781 C CE1 . TYR B 2 34 ? 11.360 -18.557 29.047 1.00 53.31 ? 34 TYR B CE1 1 ATOM 2782 C CE2 . TYR B 2 34 ? 8.983 -18.265 29.294 1.00 59.50 ? 34 TYR B CE2 1 ATOM 2783 C CZ . TYR B 2 34 ? 10.103 -19.085 29.294 1.00 57.40 ? 34 TYR B CZ 1 ATOM 2784 O OH . TYR B 2 34 ? 9.980 -20.429 29.552 1.00 58.16 ? 34 TYR B OH 1 ATOM 2785 N N . ALA B 2 35 ? 12.343 -12.241 28.865 1.00 55.99 ? 35 ALA B N 1 ATOM 2786 C CA . ALA B 2 35 ? 12.647 -10.964 28.217 1.00 56.47 ? 35 ALA B CA 1 ATOM 2787 C C . ALA B 2 35 ? 13.841 -11.124 27.284 1.00 54.34 ? 35 ALA B C 1 ATOM 2788 O O . ALA B 2 35 ? 14.855 -11.734 27.650 1.00 51.86 ? 35 ALA B O 1 ATOM 2789 C CB . ALA B 2 35 ? 12.908 -9.860 29.258 1.00 56.76 ? 35 ALA B CB 1 ATOM 2790 N N . ALA B 2 36 ? 13.702 -10.593 26.073 1.00 55.49 ? 36 ALA B N 1 ATOM 2791 C CA . ALA B 2 36 ? 14.772 -10.605 25.086 1.00 53.95 ? 36 ALA B CA 1 ATOM 2792 C C . ALA B 2 36 ? 15.893 -9.665 25.513 1.00 53.22 ? 36 ALA B C 1 ATOM 2793 O O . ALA B 2 36 ? 15.639 -8.640 26.140 1.00 54.78 ? 36 ALA B O 1 ATOM 2794 C CB . ALA B 2 36 ? 14.233 -10.186 23.735 1.00 55.59 ? 36 ALA B CB 1 ATOM 2795 N N . ASP B 2 37 ? 17.131 -10.019 25.186 1.00 51.34 ? 37 ASP B N 1 ATOM 2796 C CA . ASP B 2 37 ? 18.232 -9.069 25.300 1.00 51.52 ? 37 ASP B CA 1 ATOM 2797 C C . ASP B 2 37 ? 18.239 -8.246 24.011 1.00 53.00 ? 37 ASP B C 1 ATOM 2798 O O . ASP B 2 37 ? 18.424 -8.796 22.919 1.00 51.49 ? 37 ASP B O 1 ATOM 2799 C CB . ASP B 2 37 ? 19.569 -9.780 25.510 1.00 49.22 ? 37 ASP B CB 1 ATOM 2800 C CG . ASP B 2 37 ? 20.706 -8.812 25.827 1.00 49.73 ? 37 ASP B CG 1 ATOM 2801 O OD1 . ASP B 2 37 ? 20.683 -8.179 26.911 1.00 49.75 ? 37 ASP B OD1 1 ATOM 2802 O OD2 . ASP B 2 37 ? 21.628 -8.693 24.988 1.00 48.96 ? 37 ASP B OD2 1 ATOM 2803 N N . LYS B 2 38 ? 18.011 -6.941 24.152 1.00 55.63 ? 38 LYS B N 1 ATOM 2804 C CA . LYS B 2 38 ? 17.841 -6.043 23.008 1.00 58.33 ? 38 LYS B CA 1 ATOM 2805 C C . LYS B 2 38 ? 19.141 -5.784 22.247 1.00 57.19 ? 38 LYS B C 1 ATOM 2806 O O . LYS B 2 38 ? 19.163 -5.819 21.013 1.00 57.18 ? 38 LYS B O 1 ATOM 2807 C CB . LYS B 2 38 ? 17.221 -4.710 23.450 1.00 62.08 ? 38 LYS B CB 1 ATOM 2808 C CG . LYS B 2 38 ? 15.768 -4.803 23.929 1.00 65.99 ? 38 LYS B CG 1 ATOM 2809 C CD . LYS B 2 38 ? 14.797 -5.016 22.759 1.00 70.25 ? 38 LYS B CD 1 ATOM 2810 C CE . LYS B 2 38 ? 13.361 -5.205 23.249 1.00 74.01 ? 38 LYS B CE 1 ATOM 2811 N NZ . LYS B 2 38 ? 12.962 -4.199 24.284 1.00 76.12 ? 38 LYS B NZ 1 ATOM 2812 N N . GLU B 2 39 ? 20.212 -5.524 22.990 1.00 56.44 ? 39 GLU B N 1 ATOM 2813 C CA . GLU B 2 39 ? 21.496 -5.193 22.395 1.00 56.45 ? 39 GLU B CA 1 ATOM 2814 C C . GLU B 2 39 ? 22.091 -6.344 21.582 1.00 53.24 ? 39 GLU B C 1 ATOM 2815 O O . GLU B 2 39 ? 22.493 -6.139 20.444 1.00 53.37 ? 39 GLU B O 1 ATOM 2816 C CB . GLU B 2 39 ? 22.482 -4.703 23.461 1.00 57.28 ? 39 GLU B CB 1 ATOM 2817 C CG . GLU B 2 39 ? 23.851 -4.292 22.901 1.00 60.76 ? 39 GLU B CG 1 ATOM 2818 C CD . GLU B 2 39 ? 24.452 -3.077 23.607 1.00 66.93 ? 39 GLU B CD 1 ATOM 2819 O OE1 . GLU B 2 39 ? 24.591 -3.109 24.856 1.00 67.91 ? 39 GLU B OE1 1 ATOM 2820 O OE2 . GLU B 2 39 ? 24.796 -2.094 22.899 1.00 70.37 ? 39 GLU B OE2 1 ATOM 2821 N N . SER B 2 40 ? 22.139 -7.545 22.159 1.00 50.35 ? 40 SER B N 1 ATOM 2822 C CA . SER B 2 40 ? 22.737 -8.690 21.468 1.00 47.62 ? 40 SER B CA 1 ATOM 2823 C C . SER B 2 40 ? 21.900 -9.184 20.275 1.00 46.77 ? 40 SER B C 1 ATOM 2824 O O . SER B 2 40 ? 22.458 -9.636 19.278 1.00 45.32 ? 40 SER B O 1 ATOM 2825 C CB . SER B 2 40 ? 23.032 -9.835 22.436 1.00 45.63 ? 40 SER B CB 1 ATOM 2826 O OG . SER B 2 40 ? 21.836 -10.322 23.019 1.00 47.39 ? 40 SER B OG 1 ATOM 2827 N N . THR B 2 41 ? 20.573 -9.104 20.394 1.00 47.42 ? 41 THR B N 1 ATOM 2828 C CA . THR B 2 41 ? 19.655 -9.469 19.304 1.00 47.82 ? 41 THR B CA 1 ATOM 2829 C C . THR B 2 41 ? 19.813 -8.528 18.102 1.00 48.80 ? 41 THR B C 1 ATOM 2830 O O . THR B 2 41 ? 19.824 -8.980 16.960 1.00 47.78 ? 41 THR B O 1 ATOM 2831 C CB . THR B 2 41 ? 18.180 -9.487 19.779 1.00 49.14 ? 41 THR B CB 1 ATOM 2832 O OG1 . THR B 2 41 ? 18.038 -10.462 20.809 1.00 49.20 ? 41 THR B OG1 1 ATOM 2833 C CG2 . THR B 2 41 ? 17.215 -9.841 18.646 1.00 50.40 ? 41 THR B CG2 1 ATOM 2834 N N . GLN B 2 42 ? 19.930 -7.227 18.375 1.00 50.65 ? 42 GLN B N 1 ATOM 2835 C CA . GLN B 2 42 ? 20.091 -6.228 17.319 1.00 52.75 ? 42 GLN B CA 1 ATOM 2836 C C . GLN B 2 42 ? 21.447 -6.352 16.620 1.00 50.97 ? 42 GLN B C 1 ATOM 2837 O O . GLN B 2 42 ? 21.504 -6.318 15.399 1.00 51.21 ? 42 GLN B O 1 ATOM 2838 C CB . GLN B 2 42 ? 19.853 -4.803 17.852 1.00 55.83 ? 42 GLN B CB 1 ATOM 2839 C CG . GLN B 2 42 ? 19.704 -3.714 16.766 1.00 59.78 ? 42 GLN B CG 1 ATOM 2840 C CD . GLN B 2 42 ? 18.656 -4.045 15.692 1.00 63.57 ? 42 GLN B CD 1 ATOM 2841 O OE1 . GLN B 2 42 ? 17.554 -4.513 16.001 1.00 65.96 ? 42 GLN B OE1 1 ATOM 2842 N NE2 . GLN B 2 42 ? 18.998 -3.793 14.425 1.00 63.44 ? 42 GLN B NE2 1 ATOM 2843 N N . LYS B 2 43 ? 22.520 -6.505 17.393 1.00 49.83 ? 43 LYS B N 1 ATOM 2844 C CA . LYS B 2 43 ? 23.851 -6.765 16.828 1.00 49.13 ? 43 LYS B CA 1 ATOM 2845 C C . LYS B 2 43 ? 23.897 -8.032 15.943 1.00 46.04 ? 43 LYS B C 1 ATOM 2846 O O . LYS B 2 43 ? 24.524 -8.023 14.871 1.00 45.76 ? 43 LYS B O 1 ATOM 2847 C CB . LYS B 2 43 ? 24.918 -6.818 17.930 1.00 48.83 ? 43 LYS B CB 1 ATOM 2848 C CG . LYS B 2 43 ? 26.358 -6.797 17.407 1.00 50.05 ? 43 LYS B CG 1 ATOM 2849 C CD . LYS B 2 43 ? 27.391 -6.872 18.556 1.00 50.35 ? 43 LYS B CD 1 ATOM 2850 C CE . LYS B 2 43 ? 28.837 -6.789 18.018 1.00 52.33 ? 43 LYS B CE 1 ATOM 2851 N NZ . LYS B 2 43 ? 29.845 -6.806 19.131 1.00 54.39 ? 43 LYS B NZ 1 ATOM 2852 N N . ALA B 2 44 ? 23.225 -9.100 16.371 1.00 43.77 ? 44 ALA B N 1 ATOM 2853 C CA . ALA B 2 44 ? 23.121 -10.324 15.552 1.00 41.87 ? 44 ALA B CA 1 ATOM 2854 C C . ALA B 2 44 ? 22.298 -10.063 14.305 1.00 42.67 ? 44 ALA B C 1 ATOM 2855 O O . ALA B 2 44 ? 22.592 -10.586 13.217 1.00 41.82 ? 44 ALA B O 1 ATOM 2856 C CB . ALA B 2 44 ? 22.497 -11.452 16.345 1.00 40.82 ? 44 ALA B CB 1 ATOM 2857 N N . PHE B 2 45 ? 21.254 -9.258 14.469 1.00 44.41 ? 45 PHE B N 1 ATOM 2858 C CA . PHE B 2 45 ? 20.390 -8.900 13.352 1.00 46.09 ? 45 PHE B CA 1 ATOM 2859 C C . PHE B 2 45 ? 21.133 -8.100 12.288 1.00 46.31 ? 45 PHE B C 1 ATOM 2860 O O . PHE B 2 45 ? 20.963 -8.356 11.105 1.00 46.18 ? 45 PHE B O 1 ATOM 2861 C CB . PHE B 2 45 ? 19.133 -8.167 13.836 1.00 48.52 ? 45 PHE B CB 1 ATOM 2862 C CG . PHE B 2 45 ? 18.160 -7.864 12.742 1.00 51.07 ? 45 PHE B CG 1 ATOM 2863 C CD1 . PHE B 2 45 ? 17.433 -8.886 12.141 1.00 51.85 ? 45 PHE B CD1 1 ATOM 2864 C CD2 . PHE B 2 45 ? 17.972 -6.553 12.301 1.00 55.02 ? 45 PHE B CD2 1 ATOM 2865 C CE1 . PHE B 2 45 ? 16.529 -8.610 11.105 1.00 53.78 ? 45 PHE B CE1 1 ATOM 2866 C CE2 . PHE B 2 45 ? 17.074 -6.265 11.276 1.00 57.03 ? 45 PHE B CE2 1 ATOM 2867 C CZ . PHE B 2 45 ? 16.353 -7.297 10.677 1.00 56.42 ? 45 PHE B CZ 1 ATOM 2868 N N . ASP B 2 46 ? 21.961 -7.146 12.716 1.00 47.53 ? 46 ASP B N 1 ATOM 2869 C CA . ASP B 2 46 ? 22.774 -6.333 11.793 1.00 48.87 ? 46 ASP B CA 1 ATOM 2870 C C . ASP B 2 46 ? 23.797 -7.162 11.007 1.00 47.09 ? 46 ASP B C 1 ATOM 2871 O O . ASP B 2 46 ? 23.929 -7.010 9.768 1.00 47.92 ? 46 ASP B O 1 ATOM 2872 C CB . ASP B 2 46 ? 23.464 -5.183 12.543 1.00 50.82 ? 46 ASP B CB 1 ATOM 2873 C CG . ASP B 2 46 ? 22.475 -4.140 13.063 1.00 54.39 ? 46 ASP B CG 1 ATOM 2874 O OD1 . ASP B 2 46 ? 21.368 -4.017 12.487 1.00 55.92 ? 46 ASP B OD1 1 ATOM 2875 O OD2 . ASP B 2 46 ? 22.802 -3.445 14.062 1.00 57.19 ? 46 ASP B OD2 1 ATOM 2876 N N . GLY B 2 47 ? 24.508 -8.039 11.720 1.00 44.80 ? 47 GLY B N 1 ATOM 2877 C CA . GLY B 2 47 ? 25.439 -8.993 11.109 1.00 42.65 ? 47 GLY B CA 1 ATOM 2878 C C . GLY B 2 47 ? 24.799 -9.906 10.071 1.00 41.73 ? 47 GLY B C 1 ATOM 2879 O O . GLY B 2 47 ? 25.281 -10.007 8.939 1.00 40.53 ? 47 GLY B O 1 ATOM 2880 N N . ILE B 2 48 ? 23.713 -10.574 10.455 1.00 41.61 ? 48 ILE B N 1 ATOM 2881 C CA . ILE B 2 48 ? 23.022 -11.499 9.553 1.00 41.26 ? 48 ILE B CA 1 ATOM 2882 C C . ILE B 2 48 ? 22.491 -10.769 8.301 1.00 42.97 ? 48 ILE B C 1 ATOM 2883 O O . ILE B 2 48 ? 22.678 -11.256 7.180 1.00 42.21 ? 48 ILE B O 1 ATOM 2884 C CB . ILE B 2 48 ? 21.898 -12.315 10.280 1.00 41.18 ? 48 ILE B CB 1 ATOM 2885 C CG1 . ILE B 2 48 ? 22.471 -13.207 11.401 1.00 39.55 ? 48 ILE B CG1 1 ATOM 2886 C CG2 . ILE B 2 48 ? 21.096 -13.161 9.287 1.00 42.30 ? 48 ILE B CG2 1 ATOM 2887 C CD1 . ILE B 2 48 ? 23.563 -14.163 10.969 1.00 36.58 ? 48 ILE B CD1 1 ATOM 2888 N N . THR B 2 49 ? 21.857 -9.605 8.501 1.00 45.31 ? 49 THR B N 1 ATOM 2889 C CA . THR B 2 49 ? 21.410 -8.732 7.401 1.00 47.53 ? 49 THR B CA 1 ATOM 2890 C C . THR B 2 49 ? 22.555 -8.398 6.448 1.00 48.07 ? 49 THR B C 1 ATOM 2891 O O . THR B 2 49 ? 22.403 -8.509 5.228 1.00 47.65 ? 49 THR B O 1 ATOM 2892 C CB . THR B 2 49 ? 20.800 -7.417 7.913 1.00 50.04 ? 49 THR B CB 1 ATOM 2893 O OG1 . THR B 2 49 ? 19.649 -7.701 8.713 1.00 50.64 ? 49 THR B OG1 1 ATOM 2894 C CG2 . THR B 2 49 ? 20.401 -6.488 6.745 1.00 52.56 ? 49 THR B CG2 1 ATOM 2895 N N . ASN B 2 50 ? 23.699 -7.998 7.005 1.00 48.79 ? 50 ASN B N 1 ATOM 2896 C CA . ASN B 2 50 ? 24.884 -7.740 6.194 1.00 50.06 ? 50 ASN B CA 1 ATOM 2897 C C . ASN B 2 50 ? 25.366 -8.966 5.421 1.00 48.62 ? 50 ASN B C 1 ATOM 2898 O O . ASN B 2 50 ? 25.758 -8.852 4.259 1.00 49.05 ? 50 ASN B O 1 ATOM 2899 C CB . ASN B 2 50 ? 26.031 -7.174 7.024 1.00 50.64 ? 50 ASN B CB 1 ATOM 2900 C CG . ASN B 2 50 ? 27.146 -6.625 6.152 1.00 53.26 ? 50 ASN B CG 1 ATOM 2901 O OD1 . ASN B 2 50 ? 28.190 -7.261 5.992 1.00 54.01 ? 50 ASN B OD1 1 ATOM 2902 N ND2 . ASN B 2 50 ? 26.916 -5.456 5.551 1.00 54.68 ? 50 ASN B ND2 1 ATOM 2903 N N . LYS B 2 51 ? 25.328 -10.128 6.062 1.00 47.40 ? 51 LYS B N 1 ATOM 2904 C CA . LYS B 2 51 ? 25.715 -11.373 5.416 1.00 46.93 ? 51 LYS B CA 1 ATOM 2905 C C . LYS B 2 51 ? 24.817 -11.707 4.218 1.00 48.21 ? 51 LYS B C 1 ATOM 2906 O O . LYS B 2 51 ? 25.313 -12.112 3.171 1.00 47.76 ? 51 LYS B O 1 ATOM 2907 C CB . LYS B 2 51 ? 25.729 -12.523 6.426 1.00 44.94 ? 51 LYS B CB 1 ATOM 2908 C CG . LYS B 2 51 ? 25.947 -13.892 5.809 1.00 44.01 ? 51 LYS B CG 1 ATOM 2909 C CD . LYS B 2 51 ? 25.792 -15.023 6.825 1.00 42.80 ? 51 LYS B CD 1 ATOM 2910 C CE . LYS B 2 51 ? 26.847 -14.923 7.913 1.00 41.14 ? 51 LYS B CE 1 ATOM 2911 N NZ . LYS B 2 51 ? 27.373 -16.260 8.248 1.00 37.06 ? 51 LYS B NZ 1 ATOM 2912 N N . VAL B 2 52 ? 23.504 -11.538 4.372 1.00 51.13 ? 52 VAL B N 1 ATOM 2913 C CA . VAL B 2 52 ? 22.560 -11.857 3.296 1.00 53.70 ? 52 VAL B CA 1 ATOM 2914 C C . VAL B 2 52 ? 22.580 -10.852 2.132 1.00 56.57 ? 52 VAL B C 1 ATOM 2915 O O . VAL B 2 52 ? 22.219 -11.202 1.017 1.00 57.02 ? 52 VAL B O 1 ATOM 2916 C CB . VAL B 2 52 ? 21.101 -12.109 3.799 1.00 54.54 ? 52 VAL B CB 1 ATOM 2917 C CG1 . VAL B 2 52 ? 21.085 -13.170 4.886 1.00 53.58 ? 52 VAL B CG1 1 ATOM 2918 C CG2 . VAL B 2 52 ? 20.436 -10.824 4.285 1.00 57.69 ? 52 VAL B CG2 1 ATOM 2919 N N . ASN B 2 53 ? 22.994 -9.615 2.398 1.00 59.57 ? 53 ASN B N 1 ATOM 2920 C CA . ASN B 2 53 ? 23.268 -8.649 1.338 1.00 62.69 ? 53 ASN B CA 1 ATOM 2921 C C . ASN B 2 53 ? 24.603 -8.942 0.655 1.00 63.16 ? 53 ASN B C 1 ATOM 2922 O O . ASN B 2 53 ? 24.700 -8.878 -0.574 1.00 63.98 ? 53 ASN B O 1 ATOM 2923 C CB . ASN B 2 53 ? 23.256 -7.220 1.879 1.00 64.85 ? 53 ASN B CB 1 ATOM 2924 C CG . ASN B 2 53 ? 21.878 -6.777 2.356 1.00 66.48 ? 53 ASN B CG 1 ATOM 2925 O OD1 . ASN B 2 53 ? 20.852 -7.263 1.880 1.00 66.90 ? 53 ASN B OD1 1 ATOM 2926 N ND2 . ASN B 2 53 ? 21.854 -5.837 3.296 1.00 66.36 ? 53 ASN B ND2 1 ATOM 2927 N N . SER B 2 54 ? 25.618 -9.284 1.447 1.00 63.79 ? 54 SER B N 1 ATOM 2928 C CA . SER B 2 54 ? 26.952 -9.617 0.929 1.00 65.03 ? 54 SER B CA 1 ATOM 2929 C C . SER B 2 54 ? 26.990 -10.839 0.015 1.00 65.06 ? 54 SER B C 1 ATOM 2930 O O . SER B 2 54 ? 27.683 -10.821 -1.007 1.00 65.42 ? 54 SER B O 1 ATOM 2931 C CB . SER B 2 54 ? 27.954 -9.813 2.066 1.00 64.34 ? 54 SER B CB 1 ATOM 2932 O OG . SER B 2 54 ? 28.235 -8.586 2.707 1.00 66.20 ? 54 SER B OG 1 ATOM 2933 N N . VAL B 2 55 ? 26.273 -11.901 0.385 1.00 65.67 ? 55 VAL B N 1 ATOM 2934 C CA . VAL B 2 55 ? 26.202 -13.108 -0.453 1.00 66.46 ? 55 VAL B CA 1 ATOM 2935 C C . VAL B 2 55 ? 25.475 -12.806 -1.765 1.00 68.47 ? 55 VAL B C 1 ATOM 2936 O O . VAL B 2 55 ? 25.921 -13.227 -2.837 1.00 68.48 ? 55 VAL B O 1 ATOM 2937 C CB . VAL B 2 55 ? 25.529 -14.330 0.260 1.00 65.25 ? 55 VAL B CB 1 ATOM 2938 C CG1 . VAL B 2 55 ? 26.311 -14.741 1.504 1.00 65.15 ? 55 VAL B CG1 1 ATOM 2939 C CG2 . VAL B 2 55 ? 24.071 -14.042 0.606 1.00 66.99 ? 55 VAL B CG2 1 ATOM 2940 N N . ILE B 2 56 ? 24.369 -12.066 -1.663 1.00 71.24 ? 56 ILE B N 1 ATOM 2941 C CA . ILE B 2 56 ? 23.575 -11.641 -2.815 1.00 73.75 ? 56 ILE B CA 1 ATOM 2942 C C . ILE B 2 56 ? 24.375 -10.740 -3.777 1.00 76.05 ? 56 ILE B C 1 ATOM 2943 O O . ILE B 2 56 ? 24.348 -10.947 -5.000 1.00 76.31 ? 56 ILE B O 1 ATOM 2944 C CB . ILE B 2 56 ? 22.256 -10.964 -2.346 1.00 75.54 ? 56 ILE B CB 1 ATOM 2945 C CG1 . ILE B 2 56 ? 21.239 -12.036 -1.941 1.00 74.68 ? 56 ILE B CG1 1 ATOM 2946 C CG2 . ILE B 2 56 ? 21.693 -10.005 -3.414 1.00 78.01 ? 56 ILE B CG2 1 ATOM 2947 C CD1 . ILE B 2 56 ? 19.902 -11.498 -1.418 1.00 77.15 ? 56 ILE B CD1 1 ATOM 2948 N N . GLU B 2 57 ? 25.097 -9.764 -3.221 1.00 78.37 ? 57 GLU B N 1 ATOM 2949 C CA . GLU B 2 57 ? 25.820 -8.769 -4.024 1.00 81.33 ? 57 GLU B CA 1 ATOM 2950 C C . GLU B 2 57 ? 27.090 -9.294 -4.708 1.00 80.94 ? 57 GLU B C 1 ATOM 2951 O O . GLU B 2 57 ? 27.553 -8.705 -5.689 1.00 82.16 ? 57 GLU B O 1 ATOM 2952 C CB . GLU B 2 57 ? 26.129 -7.518 -3.191 1.00 83.43 ? 57 GLU B CB 1 ATOM 2953 C CG . GLU B 2 57 ? 24.945 -6.555 -3.057 1.00 86.54 ? 57 GLU B CG 1 ATOM 2954 C CD . GLU B 2 57 ? 25.080 -5.595 -1.883 1.00 89.15 ? 57 GLU B CD 1 ATOM 2955 O OE1 . GLU B 2 57 ? 26.161 -5.550 -1.254 1.00 88.48 ? 57 GLU B OE1 1 ATOM 2956 O OE2 . GLU B 2 57 ? 24.094 -4.885 -1.584 1.00 91.52 ? 57 GLU B OE2 1 ATOM 2957 N N . LYS B 2 58 ? 27.645 -10.392 -4.196 1.00 79.86 ? 58 LYS B N 1 ATOM 2958 C CA . LYS B 2 58 ? 28.832 -11.004 -4.797 1.00 80.14 ? 58 LYS B CA 1 ATOM 2959 C C . LYS B 2 58 ? 28.523 -11.763 -6.092 1.00 80.17 ? 58 LYS B C 1 ATOM 2960 O O . LYS B 2 58 ? 29.393 -11.895 -6.965 1.00 80.46 ? 58 LYS B O 1 ATOM 2961 C CB . LYS B 2 58 ? 29.589 -11.881 -3.789 1.00 78.61 ? 58 LYS B CB 1 ATOM 2962 C CG . LYS B 2 58 ? 30.887 -11.247 -3.259 1.00 80.22 ? 58 LYS B CG 1 ATOM 2963 C CD . LYS B 2 58 ? 30.674 -10.355 -2.025 1.00 81.87 ? 58 LYS B CD 1 ATOM 2964 C CE . LYS B 2 58 ? 30.126 -8.951 -2.367 1.00 84.59 ? 58 LYS B CE 1 ATOM 2965 N NZ . LYS B 2 58 ? 30.081 -8.018 -1.188 1.00 85.19 ? 58 LYS B NZ 1 ATOM 2966 N N . MET B 2 59 ? 27.288 -12.248 -6.215 1.00 80.58 ? 59 MET B N 1 ATOM 2967 C CA . MET B 2 59 ? 26.807 -12.853 -7.462 1.00 81.12 ? 59 MET B CA 1 ATOM 2968 C C . MET B 2 59 ? 25.821 -11.930 -8.195 1.00 83.10 ? 59 MET B C 1 ATOM 2969 O O . MET B 2 59 ? 24.662 -12.291 -8.444 1.00 83.62 ? 59 MET B O 1 ATOM 2970 C CB . MET B 2 59 ? 26.229 -14.250 -7.207 1.00 79.24 ? 59 MET B CB 1 ATOM 2971 C CG . MET B 2 59 ? 27.312 -15.322 -7.149 1.00 78.57 ? 59 MET B CG 1 ATOM 2972 S SD . MET B 2 59 ? 27.128 -16.662 -5.939 1.00 78.40 ? 59 MET B SD 1 ATOM 2973 C CE . MET B 2 59 ? 26.816 -15.735 -4.442 1.00 78.42 ? 59 MET B CE 1 ATOM 2974 N N . ASN B 2 60 ? 26.300 -10.726 -8.514 1.00 84.94 ? 60 ASN B N 1 ATOM 2975 C CA . ASN B 2 60 ? 25.573 -9.780 -9.363 1.00 87.19 ? 60 ASN B CA 1 ATOM 2976 C C . ASN B 2 60 ? 26.133 -9.768 -10.781 1.00 87.16 ? 60 ASN B C 1 ATOM 2977 O O . ASN B 2 60 ? 25.412 -9.475 -11.744 1.00 88.34 ? 60 ASN B O 1 ATOM 2978 C CB . ASN B 2 60 ? 25.607 -8.366 -8.775 1.00 89.91 ? 60 ASN B CB 1 ATOM 2979 C CG . ASN B 2 60 ? 24.636 -8.185 -7.619 1.00 91.08 ? 60 ASN B CG 1 ATOM 2980 O OD1 . ASN B 2 60 ? 23.772 -9.034 -7.376 1.00 90.67 ? 60 ASN B OD1 1 ATOM 2981 N ND2 . ASN B 2 60 ? 24.773 -7.071 -6.900 1.00 93.33 ? 60 ASN B ND2 1 ATOM 2982 N N . THR B 2 61 ? 27.424 -10.071 -10.901 1.00 85.82 ? 61 THR B N 1 ATOM 2983 C CA . THR B 2 61 ? 28.037 -10.259 -12.215 1.00 85.40 ? 61 THR B CA 1 ATOM 2984 C C . THR B 2 61 ? 28.396 -11.738 -12.395 1.00 82.39 ? 61 THR B C 1 ATOM 2985 O O . THR B 2 61 ? 29.566 -12.117 -12.535 1.00 81.86 ? 61 THR B O 1 ATOM 2986 C CB . THR B 2 61 ? 29.247 -9.311 -12.471 1.00 87.27 ? 61 THR B CB 1 ATOM 2987 O OG1 . THR B 2 61 ? 29.028 -8.051 -11.821 1.00 89.56 ? 61 THR B OG1 1 ATOM 2988 C CG2 . THR B 2 61 ? 29.436 -9.077 -13.971 1.00 88.14 ? 61 THR B CG2 1 ATOM 2989 N N . GLN B 2 62 ? 27.355 -12.565 -12.359 1.00 80.58 ? 62 GLN B N 1 ATOM 2990 C CA . GLN B 2 62 ? 27.441 -13.978 -12.711 1.00 77.88 ? 62 GLN B CA 1 ATOM 2991 C C . GLN B 2 62 ? 27.415 -14.108 -14.245 1.00 77.13 ? 62 GLN B C 1 ATOM 2992 O O . GLN B 2 62 ? 26.958 -13.189 -14.940 1.00 78.77 ? 62 GLN B O 1 ATOM 2993 C CB . GLN B 2 62 ? 26.275 -14.732 -12.057 1.00 77.28 ? 62 GLN B CB 1 ATOM 2994 C CG . GLN B 2 62 ? 26.177 -16.206 -12.407 1.00 76.36 ? 62 GLN B CG 1 ATOM 2995 C CD . GLN B 2 62 ? 25.122 -16.950 -11.606 1.00 76.02 ? 62 GLN B CD 1 ATOM 2996 O OE1 . GLN B 2 62 ? 24.160 -17.468 -12.169 1.00 76.58 ? 62 GLN B OE1 1 ATOM 2997 N NE2 . GLN B 2 62 ? 25.303 -17.013 -10.289 1.00 75.50 ? 62 GLN B NE2 1 ATOM 2998 N N . PHE B 2 63 ? 27.918 -15.227 -14.771 1.00 74.44 ? 63 PHE B N 1 ATOM 2999 C CA . PHE B 2 63 ? 27.876 -15.496 -16.218 1.00 73.04 ? 63 PHE B CA 1 ATOM 3000 C C . PHE B 2 63 ? 26.447 -15.680 -16.720 1.00 72.46 ? 63 PHE B C 1 ATOM 3001 O O . PHE B 2 63 ? 25.640 -16.360 -16.083 1.00 72.26 ? 63 PHE B O 1 ATOM 3002 C CB . PHE B 2 63 ? 28.704 -16.730 -16.582 1.00 71.57 ? 63 PHE B CB 1 ATOM 3003 C CG . PHE B 2 63 ? 28.730 -17.037 -18.062 1.00 71.98 ? 63 PHE B CG 1 ATOM 3004 C CD1 . PHE B 2 63 ? 29.664 -16.424 -18.901 1.00 72.75 ? 63 PHE B CD1 1 ATOM 3005 C CD2 . PHE B 2 63 ? 27.822 -17.942 -18.621 1.00 71.12 ? 63 PHE B CD2 1 ATOM 3006 C CE1 . PHE B 2 63 ? 29.693 -16.712 -20.265 1.00 72.14 ? 63 PHE B CE1 1 ATOM 3007 C CE2 . PHE B 2 63 ? 27.847 -18.227 -19.987 1.00 70.56 ? 63 PHE B CE2 1 ATOM 3008 C CZ . PHE B 2 63 ? 28.783 -17.616 -20.806 1.00 71.15 ? 63 PHE B CZ 1 ATOM 3009 N N . GLU B 2 64 ? 26.153 -15.077 -17.870 1.00 71.91 ? 64 GLU B N 1 ATOM 3010 C CA . GLU B 2 64 ? 24.840 -15.182 -18.495 1.00 71.28 ? 64 GLU B CA 1 ATOM 3011 C C . GLU B 2 64 ? 24.938 -15.842 -19.871 1.00 69.32 ? 64 GLU B C 1 ATOM 3012 O O . GLU B 2 64 ? 25.752 -15.437 -20.712 1.00 69.28 ? 64 GLU B O 1 ATOM 3013 C CB . GLU B 2 64 ? 24.194 -13.800 -18.611 1.00 73.62 ? 64 GLU B CB 1 ATOM 3014 C CG . GLU B 2 64 ? 24.129 -13.029 -17.295 1.00 74.80 ? 64 GLU B CG 1 ATOM 3015 C CD . GLU B 2 64 ? 23.645 -11.599 -17.469 1.00 78.01 ? 64 GLU B CD 1 ATOM 3016 O OE1 . GLU B 2 64 ? 23.716 -11.074 -18.608 1.00 79.86 ? 64 GLU B OE1 1 ATOM 3017 O OE2 . GLU B 2 64 ? 23.196 -11.001 -16.458 1.00 80.46 ? 64 GLU B OE2 1 ATOM 3018 N N . ALA B 2 65 ? 24.105 -16.861 -20.086 1.00 67.07 ? 65 ALA B N 1 ATOM 3019 C CA . ALA B 2 65 ? 24.030 -17.554 -21.373 1.00 64.80 ? 65 ALA B CA 1 ATOM 3020 C C . ALA B 2 65 ? 23.367 -16.692 -22.450 1.00 65.11 ? 65 ALA B C 1 ATOM 3021 O O . ALA B 2 65 ? 22.276 -16.143 -22.250 1.00 66.96 ? 65 ALA B O 1 ATOM 3022 C CB . ALA B 2 65 ? 23.305 -18.889 -21.230 1.00 64.56 ? 65 ALA B CB 1 ATOM 3023 N N . VAL B 2 66 ? 24.058 -16.575 -23.583 1.00 62.75 ? 66 VAL B N 1 ATOM 3024 C CA . VAL B 2 66 ? 23.556 -15.916 -24.791 1.00 61.94 ? 66 VAL B CA 1 ATOM 3025 C C . VAL B 2 66 ? 23.187 -17.011 -25.795 1.00 59.58 ? 66 VAL B C 1 ATOM 3026 O O . VAL B 2 66 ? 23.994 -17.926 -26.042 1.00 58.40 ? 66 VAL B O 1 ATOM 3027 C CB . VAL B 2 66 ? 24.651 -14.982 -25.410 1.00 62.59 ? 66 VAL B CB 1 ATOM 3028 C CG1 . VAL B 2 66 ? 24.217 -14.423 -26.771 1.00 63.97 ? 66 VAL B CG1 1 ATOM 3029 C CG2 . VAL B 2 66 ? 25.028 -13.852 -24.437 1.00 63.34 ? 66 VAL B CG2 1 ATOM 3030 N N . GLY B 2 67 ? 21.983 -16.931 -26.367 1.00 58.31 ? 67 GLY B N 1 ATOM 3031 C CA . GLY B 2 67 ? 21.561 -17.870 -27.408 1.00 54.61 ? 67 GLY B CA 1 ATOM 3032 C C . GLY B 2 67 ? 22.239 -17.620 -28.753 1.00 51.88 ? 67 GLY B C 1 ATOM 3033 O O . GLY B 2 67 ? 21.990 -16.609 -29.396 1.00 54.21 ? 67 GLY B O 1 ATOM 3034 N N . LYS B 2 68 ? 23.110 -18.536 -29.170 1.00 47.07 ? 68 LYS B N 1 ATOM 3035 C CA . LYS B 2 68 ? 23.745 -18.491 -30.490 1.00 43.38 ? 68 LYS B CA 1 ATOM 3036 C C . LYS B 2 68 ? 23.372 -19.739 -31.262 1.00 40.38 ? 68 LYS B C 1 ATOM 3037 O O . LYS B 2 68 ? 23.059 -20.749 -30.668 1.00 39.28 ? 68 LYS B O 1 ATOM 3038 C CB . LYS B 2 68 ? 25.270 -18.466 -30.361 1.00 42.20 ? 68 LYS B CB 1 ATOM 3039 C CG . LYS B 2 68 ? 25.872 -17.178 -29.878 1.00 43.63 ? 68 LYS B CG 1 ATOM 3040 C CD . LYS B 2 68 ? 27.384 -17.338 -29.747 1.00 42.27 ? 68 LYS B CD 1 ATOM 3041 C CE . LYS B 2 68 ? 28.005 -16.063 -29.297 1.00 43.30 ? 68 LYS B CE 1 ATOM 3042 N NZ . LYS B 2 68 ? 27.382 -15.558 -28.036 1.00 43.86 ? 68 LYS B NZ 1 ATOM 3043 N N . GLU B 2 69 ? 23.415 -19.660 -32.584 1.00 38.33 ? 69 GLU B N 1 ATOM 3044 C CA . GLU B 2 69 ? 23.236 -20.825 -33.434 1.00 36.62 ? 69 GLU B CA 1 ATOM 3045 C C . GLU B 2 69 ? 24.456 -21.091 -34.316 1.00 33.13 ? 69 GLU B C 1 ATOM 3046 O O . GLU B 2 69 ? 25.247 -20.196 -34.597 1.00 31.52 ? 69 GLU B O 1 ATOM 3047 C CB . GLU B 2 69 ? 21.954 -20.708 -34.272 1.00 38.96 ? 69 GLU B CB 1 ATOM 3048 C CG . GLU B 2 69 ? 20.703 -20.840 -33.384 1.00 44.34 ? 69 GLU B CG 1 ATOM 3049 C CD . GLU B 2 69 ? 19.420 -20.495 -34.075 1.00 50.37 ? 69 GLU B CD 1 ATOM 3050 O OE1 . GLU B 2 69 ? 19.170 -21.062 -35.159 1.00 54.00 ? 69 GLU B OE1 1 ATOM 3051 O OE2 . GLU B 2 69 ? 18.653 -19.673 -33.517 1.00 54.57 ? 69 GLU B OE2 1 ATOM 3052 N N . PHE B 2 70 ? 24.555 -22.335 -34.768 1.00 31.02 ? 70 PHE B N 1 ATOM 3053 C CA . PHE B 2 70 ? 25.700 -22.860 -35.487 1.00 29.71 ? 70 PHE B CA 1 ATOM 3054 C C . PHE B 2 70 ? 25.201 -23.796 -36.567 1.00 30.51 ? 70 PHE B C 1 ATOM 3055 O O . PHE B 2 70 ? 24.202 -24.492 -36.384 1.00 31.88 ? 70 PHE B O 1 ATOM 3056 C CB . PHE B 2 70 ? 26.640 -23.593 -34.510 1.00 26.90 ? 70 PHE B CB 1 ATOM 3057 C CG . PHE B 2 70 ? 27.050 -22.734 -33.334 1.00 25.94 ? 70 PHE B CG 1 ATOM 3058 C CD1 . PHE B 2 70 ? 28.153 -21.897 -33.417 1.00 27.09 ? 70 PHE B CD1 1 ATOM 3059 C CD2 . PHE B 2 70 ? 26.291 -22.709 -32.172 1.00 24.66 ? 70 PHE B CD2 1 ATOM 3060 C CE1 . PHE B 2 70 ? 28.506 -21.062 -32.337 1.00 23.90 ? 70 PHE B CE1 1 ATOM 3061 C CE2 . PHE B 2 70 ? 26.632 -21.869 -31.096 1.00 24.87 ? 70 PHE B CE2 1 ATOM 3062 C CZ . PHE B 2 70 ? 27.753 -21.051 -31.189 1.00 23.63 ? 70 PHE B CZ 1 ATOM 3063 N N . SER B 2 71 ? 25.878 -23.788 -37.696 1.00 30.77 ? 71 SER B N 1 ATOM 3064 C CA . SER B 2 71 ? 25.534 -24.675 -38.798 1.00 32.10 ? 71 SER B CA 1 ATOM 3065 C C . SER B 2 71 ? 26.068 -26.089 -38.544 1.00 32.30 ? 71 SER B C 1 ATOM 3066 O O . SER B 2 71 ? 26.825 -26.331 -37.581 1.00 30.25 ? 71 SER B O 1 ATOM 3067 C CB . SER B 2 71 ? 26.067 -24.122 -40.113 1.00 31.99 ? 71 SER B CB 1 ATOM 3068 O OG . SER B 2 71 ? 27.444 -24.413 -40.258 1.00 32.88 ? 71 SER B OG 1 ATOM 3069 N N . ASN B 2 72 ? 25.673 -27.014 -39.418 1.00 34.20 ? 72 ASN B N 1 ATOM 3070 C CA . ASN B 2 72 ? 26.132 -28.396 -39.358 1.00 35.68 ? 72 ASN B CA 1 ATOM 3071 C C . ASN B 2 72 ? 27.632 -28.558 -39.655 1.00 34.11 ? 72 ASN B C 1 ATOM 3072 O O . ASN B 2 72 ? 28.209 -29.603 -39.348 1.00 33.47 ? 72 ASN B O 1 ATOM 3073 C CB . ASN B 2 72 ? 25.260 -29.325 -40.251 1.00 37.63 ? 72 ASN B CB 1 ATOM 3074 C CG . ASN B 2 72 ? 25.423 -29.057 -41.747 1.00 41.83 ? 72 ASN B CG 1 ATOM 3075 O OD1 . ASN B 2 72 ? 25.929 -28.012 -42.170 1.00 45.61 ? 72 ASN B OD1 1 ATOM 3076 N ND2 . ASN B 2 72 ? 24.967 -30.011 -42.571 1.00 46.03 ? 72 ASN B ND2 1 ATOM 3077 N N . LEU B 2 73 ? 28.252 -27.526 -40.242 1.00 33.49 ? 73 LEU B N 1 ATOM 3078 C CA . LEU B 2 73 ? 29.713 -27.482 -40.425 1.00 32.38 ? 73 LEU B CA 1 ATOM 3079 C C . LEU B 2 73 ? 30.432 -26.709 -39.310 1.00 30.52 ? 73 LEU B C 1 ATOM 3080 O O . LEU B 2 73 ? 31.606 -26.373 -39.437 1.00 30.81 ? 73 LEU B O 1 ATOM 3081 C CB . LEU B 2 73 ? 30.085 -26.916 -41.806 1.00 33.48 ? 73 LEU B CB 1 ATOM 3082 C CG . LEU B 2 73 ? 30.143 -27.811 -43.076 1.00 36.20 ? 73 LEU B CG 1 ATOM 3083 C CD1 . LEU B 2 73 ? 28.842 -28.570 -43.333 1.00 40.45 ? 73 LEU B CD1 1 ATOM 3084 C CD2 . LEU B 2 73 ? 30.499 -27.010 -44.332 1.00 34.39 ? 73 LEU B CD2 1 ATOM 3085 N N . GLU B 2 74 ? 29.737 -26.435 -38.208 1.00 28.52 ? 74 GLU B N 1 ATOM 3086 C CA . GLU B 2 74 ? 30.327 -25.689 -37.096 1.00 26.12 ? 74 GLU B CA 1 ATOM 3087 C C . GLU B 2 74 ? 30.112 -26.413 -35.795 1.00 25.04 ? 74 GLU B C 1 ATOM 3088 O O . GLU B 2 74 ? 29.848 -25.787 -34.762 1.00 24.43 ? 74 GLU B O 1 ATOM 3089 C CB . GLU B 2 74 ? 29.728 -24.295 -36.993 1.00 25.76 ? 74 GLU B CB 1 ATOM 3090 C CG . GLU B 2 74 ? 29.993 -23.437 -38.181 1.00 29.44 ? 74 GLU B CG 1 ATOM 3091 C CD . GLU B 2 74 ? 29.351 -22.064 -38.063 1.00 31.73 ? 74 GLU B CD 1 ATOM 3092 O OE1 . GLU B 2 74 ? 28.228 -21.940 -37.511 1.00 31.80 ? 74 GLU B OE1 1 ATOM 3093 O OE2 . GLU B 2 74 ? 29.985 -21.105 -38.537 1.00 34.79 ? 74 GLU B OE2 1 ATOM 3094 N N . ARG B 2 75 ? 30.233 -27.740 -35.833 1.00 25.52 ? 75 ARG B N 1 ATOM 3095 C CA . ARG B 2 75 ? 30.048 -28.579 -34.639 1.00 25.51 ? 75 ARG B CA 1 ATOM 3096 C C . ARG B 2 75 ? 31.100 -28.393 -33.545 1.00 24.51 ? 75 ARG B C 1 ATOM 3097 O O . ARG B 2 75 ? 30.763 -28.467 -32.371 1.00 24.12 ? 75 ARG B O 1 ATOM 3098 C CB . ARG B 2 75 ? 29.921 -30.069 -35.040 1.00 26.91 ? 75 ARG B CB 1 ATOM 3099 C CG . ARG B 2 75 ? 28.641 -30.368 -35.870 1.00 32.05 ? 75 ARG B CG 1 ATOM 3100 C CD . ARG B 2 75 ? 27.424 -30.370 -34.969 1.00 41.11 ? 75 ARG B CD 1 ATOM 3101 N NE . ARG B 2 75 ? 26.169 -30.202 -35.704 1.00 49.32 ? 75 ARG B NE 1 ATOM 3102 C CZ . ARG B 2 75 ? 25.486 -29.056 -35.797 1.00 51.86 ? 75 ARG B CZ 1 ATOM 3103 N NH1 . ARG B 2 75 ? 25.933 -27.928 -35.217 1.00 49.02 ? 75 ARG B NH1 1 ATOM 3104 N NH2 . ARG B 2 75 ? 24.347 -29.038 -36.490 1.00 54.80 ? 75 ARG B NH2 1 ATOM 3105 N N . ARG B 2 76 ? 32.370 -28.184 -33.917 1.00 23.80 ? 76 ARG B N 1 ATOM 3106 C CA . ARG B 2 76 ? 33.424 -27.927 -32.901 1.00 24.01 ? 76 ARG B CA 1 ATOM 3107 C C . ARG B 2 76 ? 33.180 -26.613 -32.185 1.00 23.77 ? 76 ARG B C 1 ATOM 3108 O O . ARG B 2 76 ? 33.328 -26.542 -30.980 1.00 23.84 ? 76 ARG B O 1 ATOM 3109 C CB . ARG B 2 76 ? 34.819 -27.884 -33.513 1.00 24.34 ? 76 ARG B CB 1 ATOM 3110 C CG . ARG B 2 76 ? 35.359 -29.208 -34.013 1.00 23.40 ? 76 ARG B CG 1 ATOM 3111 C CD . ARG B 2 76 ? 36.603 -28.957 -34.849 1.00 21.54 ? 76 ARG B CD 1 ATOM 3112 N NE . ARG B 2 76 ? 36.283 -28.133 -36.014 1.00 21.28 ? 76 ARG B NE 1 ATOM 3113 C CZ . ARG B 2 76 ? 37.133 -27.298 -36.595 1.00 18.92 ? 76 ARG B CZ 1 ATOM 3114 N NH1 . ARG B 2 76 ? 38.346 -27.179 -36.118 1.00 23.40 ? 76 ARG B NH1 1 ATOM 3115 N NH2 . ARG B 2 76 ? 36.766 -26.591 -37.649 1.00 20.65 ? 76 ARG B NH2 1 ATOM 3116 N N . LEU B 2 77 ? 32.797 -25.585 -32.943 1.00 24.05 ? 77 LEU B N 1 ATOM 3117 C CA . LEU B 2 77 ? 32.465 -24.269 -32.378 1.00 25.01 ? 77 LEU B CA 1 ATOM 3118 C C . LEU B 2 77 ? 31.196 -24.310 -31.502 1.00 24.21 ? 77 LEU B C 1 ATOM 3119 O O . LEU B 2 77 ? 31.168 -23.736 -30.399 1.00 23.44 ? 77 LEU B O 1 ATOM 3120 C CB . LEU B 2 77 ? 32.350 -23.236 -33.509 1.00 25.48 ? 77 LEU B CB 1 ATOM 3121 C CG . LEU B 2 77 ? 32.026 -21.772 -33.161 1.00 27.89 ? 77 LEU B CG 1 ATOM 3122 C CD1 . LEU B 2 77 ? 33.107 -21.141 -32.259 1.00 27.50 ? 77 LEU B CD1 1 ATOM 3123 C CD2 . LEU B 2 77 ? 31.821 -20.986 -34.479 1.00 26.75 ? 77 LEU B CD2 1 ATOM 3124 N N . GLU B 2 78 ? 30.169 -25.016 -31.975 1.00 24.57 ? 78 GLU B N 1 ATOM 3125 C CA . GLU B 2 78 ? 28.971 -25.261 -31.179 1.00 26.26 ? 78 GLU B CA 1 ATOM 3126 C C . GLU B 2 78 ? 29.333 -25.972 -29.870 1.00 25.42 ? 78 GLU B C 1 ATOM 3127 O O . GLU B 2 78 ? 28.846 -25.616 -28.786 1.00 24.54 ? 78 GLU B O 1 ATOM 3128 C CB . GLU B 2 78 ? 27.934 -26.086 -31.965 1.00 26.48 ? 78 GLU B CB 1 ATOM 3129 C CG . GLU B 2 78 ? 26.670 -26.365 -31.132 1.00 30.16 ? 78 GLU B CG 1 ATOM 3130 C CD . GLU B 2 78 ? 25.626 -27.216 -31.847 1.00 34.67 ? 78 GLU B CD 1 ATOM 3131 O OE1 . GLU B 2 78 ? 25.935 -27.837 -32.893 1.00 42.51 ? 78 GLU B OE1 1 ATOM 3132 O OE2 . GLU B 2 78 ? 24.475 -27.271 -31.346 1.00 43.94 ? 78 GLU B OE2 1 ATOM 3133 N N . ASN B 2 79 ? 30.199 -26.979 -29.959 1.00 25.41 ? 79 ASN B N 1 ATOM 3134 C CA . ASN B 2 79 ? 30.545 -27.740 -28.763 1.00 25.92 ? 79 ASN B CA 1 ATOM 3135 C C . ASN B 2 79 ? 31.351 -26.874 -27.791 1.00 25.96 ? 79 ASN B C 1 ATOM 3136 O O . ASN B 2 79 ? 31.147 -26.919 -26.580 1.00 25.09 ? 79 ASN B O 1 ATOM 3137 C CB . ASN B 2 79 ? 31.283 -29.044 -29.124 1.00 26.46 ? 79 ASN B CB 1 ATOM 3138 C CG . ASN B 2 79 ? 31.488 -29.943 -27.912 1.00 30.97 ? 79 ASN B CG 1 ATOM 3139 O OD1 . ASN B 2 79 ? 32.606 -30.097 -27.417 1.00 31.67 ? 79 ASN B OD1 1 ATOM 3140 N ND2 . ASN B 2 79 ? 30.393 -30.503 -27.404 1.00 31.81 ? 79 ASN B ND2 1 ATOM 3141 N N . LEU B 2 80 ? 32.225 -26.042 -28.351 1.00 26.35 ? 80 LEU B N 1 ATOM 3142 C CA . LEU B 2 80 ? 33.032 -25.111 -27.584 1.00 27.38 ? 80 LEU B CA 1 ATOM 3143 C C . LEU B 2 80 ? 32.123 -24.150 -26.828 1.00 27.48 ? 80 LEU B C 1 ATOM 3144 O O . LEU B 2 80 ? 32.274 -23.950 -25.607 1.00 27.50 ? 80 LEU B O 1 ATOM 3145 C CB . LEU B 2 80 ? 33.993 -24.363 -28.533 1.00 28.29 ? 80 LEU B CB 1 ATOM 3146 C CG . LEU B 2 80 ? 35.119 -23.519 -27.935 1.00 32.01 ? 80 LEU B CG 1 ATOM 3147 C CD1 . LEU B 2 80 ? 36.109 -23.097 -28.990 1.00 35.44 ? 80 LEU B CD1 1 ATOM 3148 C CD2 . LEU B 2 80 ? 34.541 -22.294 -27.246 1.00 35.94 ? 80 LEU B CD2 1 ATOM 3149 N N . ASN B 2 81 ? 31.166 -23.572 -27.550 1.00 27.66 ? 81 ASN B N 1 ATOM 3150 C CA . ASN B 2 81 ? 30.177 -22.705 -26.951 1.00 28.57 ? 81 ASN B CA 1 ATOM 3151 C C . ASN B 2 81 ? 29.397 -23.383 -25.835 1.00 28.93 ? 81 ASN B C 1 ATOM 3152 O O . ASN B 2 81 ? 29.200 -22.776 -24.777 1.00 28.58 ? 81 ASN B O 1 ATOM 3153 C CB . ASN B 2 81 ? 29.186 -22.185 -27.993 1.00 28.24 ? 81 ASN B CB 1 ATOM 3154 C CG . ASN B 2 81 ? 28.277 -21.087 -27.434 1.00 29.99 ? 81 ASN B CG 1 ATOM 3155 O OD1 . ASN B 2 81 ? 27.070 -21.282 -27.272 1.00 32.17 ? 81 ASN B OD1 1 ATOM 3156 N ND2 . ASN B 2 81 ? 28.860 -19.931 -27.151 1.00 29.68 ? 81 ASN B ND2 1 ATOM 3157 N N . LYS B 2 82 ? 28.944 -24.616 -26.094 1.00 30.32 ? 82 LYS B N 1 ATOM 3158 C CA . LYS B 2 82 ? 28.200 -25.415 -25.129 1.00 33.15 ? 82 LYS B CA 1 ATOM 3159 C C . LYS B 2 82 ? 29.039 -25.693 -23.893 1.00 33.27 ? 82 LYS B C 1 ATOM 3160 O O . LYS B 2 82 ? 28.573 -25.461 -22.781 1.00 34.00 ? 82 LYS B O 1 ATOM 3161 C CB . LYS B 2 82 ? 27.718 -26.738 -25.749 1.00 34.26 ? 82 LYS B CB 1 ATOM 3162 C CG . LYS B 2 82 ? 26.952 -27.680 -24.774 1.00 36.53 ? 82 LYS B CG 1 ATOM 3163 C CD . LYS B 2 82 ? 26.840 -29.113 -25.343 1.00 38.27 ? 82 LYS B CD 1 ATOM 3164 C CE . LYS B 2 82 ? 25.749 -29.949 -24.657 1.00 42.50 ? 82 LYS B CE 1 ATOM 3165 N NZ . LYS B 2 82 ? 25.807 -29.855 -23.152 1.00 45.92 ? 82 LYS B NZ 1 ATOM 3166 N N . LYS B 2 83 ? 30.276 -26.162 -24.093 1.00 34.41 ? 83 LYS B N 1 ATOM 3167 C CA . LYS B 2 83 ? 31.221 -26.417 -22.996 1.00 35.79 ? 83 LYS B CA 1 ATOM 3168 C C . LYS B 2 83 ? 31.488 -25.177 -22.167 1.00 35.54 ? 83 LYS B C 1 ATOM 3169 O O . LYS B 2 83 ? 31.619 -25.264 -20.952 1.00 35.48 ? 83 LYS B O 1 ATOM 3170 C CB . LYS B 2 83 ? 32.565 -26.940 -23.522 1.00 36.93 ? 83 LYS B CB 1 ATOM 3171 C CG . LYS B 2 83 ? 32.544 -28.345 -24.130 1.00 40.87 ? 83 LYS B CG 1 ATOM 3172 C CD . LYS B 2 83 ? 32.113 -29.406 -23.129 1.00 47.78 ? 83 LYS B CD 1 ATOM 3173 C CE . LYS B 2 83 ? 33.112 -29.527 -21.978 1.00 50.86 ? 83 LYS B CE 1 ATOM 3174 N NZ . LYS B 2 83 ? 32.470 -29.931 -20.681 1.00 53.19 ? 83 LYS B NZ 1 ATOM 3175 N N . MET B 2 84 ? 31.589 -24.026 -22.825 1.00 36.23 ? 84 MET B N 1 ATOM 3176 C CA . MET B 2 84 ? 31.882 -22.785 -22.132 1.00 37.72 ? 84 MET B CA 1 ATOM 3177 C C . MET B 2 84 ? 30.736 -22.330 -21.236 1.00 37.90 ? 84 MET B C 1 ATOM 3178 O O . MET B 2 84 ? 30.958 -21.982 -20.076 1.00 36.77 ? 84 MET B O 1 ATOM 3179 C CB . MET B 2 84 ? 32.216 -21.667 -23.098 1.00 37.58 ? 84 MET B CB 1 ATOM 3180 C CG . MET B 2 84 ? 32.489 -20.415 -22.327 1.00 39.39 ? 84 MET B CG 1 ATOM 3181 S SD . MET B 2 84 ? 32.468 -18.904 -23.226 1.00 43.41 ? 84 MET B SD 1 ATOM 3182 C CE . MET B 2 84 ? 30.778 -18.789 -23.848 1.00 43.57 ? 84 MET B CE 1 ATOM 3183 N N . GLU B 2 85 ? 29.522 -22.334 -21.789 1.00 38.92 ? 85 GLU B N 1 ATOM 3184 C CA . GLU B 2 85 ? 28.325 -21.893 -21.074 1.00 40.70 ? 85 GLU B CA 1 ATOM 3185 C C . GLU B 2 85 ? 27.944 -22.857 -19.947 1.00 41.13 ? 85 GLU B C 1 ATOM 3186 O O . GLU B 2 85 ? 27.653 -22.425 -18.820 1.00 41.50 ? 85 GLU B O 1 ATOM 3187 C CB . GLU B 2 85 ? 27.166 -21.591 -22.060 1.00 41.18 ? 85 GLU B CB 1 ATOM 3188 C CG . GLU B 2 85 ? 27.463 -20.321 -22.924 1.00 42.87 ? 85 GLU B CG 1 ATOM 3189 C CD . GLU B 2 85 ? 26.290 -19.799 -23.780 1.00 44.74 ? 85 GLU B CD 1 ATOM 3190 O OE1 . GLU B 2 85 ? 25.441 -20.605 -24.235 1.00 48.22 ? 85 GLU B OE1 1 ATOM 3191 O OE2 . GLU B 2 85 ? 26.239 -18.567 -24.022 1.00 46.10 ? 85 GLU B OE2 1 ATOM 3192 N N . ASP B 2 86 ? 27.976 -24.154 -20.244 1.00 41.94 ? 86 ASP B N 1 ATOM 3193 C CA . ASP B 2 86 ? 27.848 -25.203 -19.231 1.00 42.21 ? 86 ASP B CA 1 ATOM 3194 C C . ASP B 2 86 ? 28.973 -25.146 -18.186 1.00 41.66 ? 86 ASP B C 1 ATOM 3195 O O . ASP B 2 86 ? 28.741 -25.444 -17.015 1.00 41.99 ? 86 ASP B O 1 ATOM 3196 C CB . ASP B 2 86 ? 27.897 -26.586 -19.876 1.00 43.36 ? 86 ASP B CB 1 ATOM 3197 C CG . ASP B 2 86 ? 26.598 -26.971 -20.589 1.00 46.82 ? 86 ASP B CG 1 ATOM 3198 O OD1 . ASP B 2 86 ? 25.667 -26.132 -20.722 1.00 49.24 ? 86 ASP B OD1 1 ATOM 3199 O OD2 . ASP B 2 86 ? 26.529 -28.141 -21.036 1.00 49.20 ? 86 ASP B OD2 1 ATOM 3200 N N . GLY B 2 87 ? 30.188 -24.818 -18.622 1.00 40.33 ? 87 GLY B N 1 ATOM 3201 C CA . GLY B 2 87 ? 31.340 -24.683 -17.734 1.00 39.71 ? 87 GLY B CA 1 ATOM 3202 C C . GLY B 2 87 ? 31.149 -23.616 -16.675 1.00 39.14 ? 87 GLY B C 1 ATOM 3203 O O . GLY B 2 87 ? 31.400 -23.866 -15.497 1.00 39.17 ? 87 GLY B O 1 ATOM 3204 N N . PHE B 2 88 ? 30.705 -22.436 -17.099 1.00 38.55 ? 88 PHE B N 1 ATOM 3205 C CA . PHE B 2 88 ? 30.392 -21.342 -16.196 1.00 39.16 ? 88 PHE B CA 1 ATOM 3206 C C . PHE B 2 88 ? 29.166 -21.592 -15.319 1.00 39.99 ? 88 PHE B C 1 ATOM 3207 O O . PHE B 2 88 ? 29.101 -21.136 -14.168 1.00 39.96 ? 88 PHE B O 1 ATOM 3208 C CB . PHE B 2 88 ? 30.237 -20.022 -16.959 1.00 38.75 ? 88 PHE B CB 1 ATOM 3209 C CG . PHE B 2 88 ? 31.547 -19.429 -17.400 1.00 38.76 ? 88 PHE B CG 1 ATOM 3210 C CD1 . PHE B 2 88 ? 32.522 -19.091 -16.459 1.00 38.05 ? 88 PHE B CD1 1 ATOM 3211 C CD2 . PHE B 2 88 ? 31.816 -19.214 -18.756 1.00 37.83 ? 88 PHE B CD2 1 ATOM 3212 C CE1 . PHE B 2 88 ? 33.745 -18.567 -16.861 1.00 38.52 ? 88 PHE B CE1 1 ATOM 3213 C CE2 . PHE B 2 88 ? 33.032 -18.690 -19.157 1.00 37.48 ? 88 PHE B CE2 1 ATOM 3214 C CZ . PHE B 2 88 ? 33.996 -18.368 -18.213 1.00 37.92 ? 88 PHE B CZ 1 ATOM 3215 N N . LEU B 2 89 ? 28.202 -22.318 -15.870 1.00 41.40 ? 89 LEU B N 1 ATOM 3216 C CA . LEU B 2 89 ? 27.000 -22.683 -15.151 1.00 42.95 ? 89 LEU B CA 1 ATOM 3217 C C . LEU B 2 89 ? 27.351 -23.566 -13.955 1.00 43.13 ? 89 LEU B C 1 ATOM 3218 O O . LEU B 2 89 ? 26.819 -23.365 -12.854 1.00 43.41 ? 89 LEU B O 1 ATOM 3219 C CB . LEU B 2 89 ? 25.992 -23.375 -16.084 1.00 43.63 ? 89 LEU B CB 1 ATOM 3220 C CG . LEU B 2 89 ? 24.834 -24.175 -15.468 1.00 46.21 ? 89 LEU B CG 1 ATOM 3221 C CD1 . LEU B 2 89 ? 24.009 -23.318 -14.493 1.00 48.39 ? 89 LEU B CD1 1 ATOM 3222 C CD2 . LEU B 2 89 ? 23.926 -24.788 -16.539 1.00 46.35 ? 89 LEU B CD2 1 ATOM 3223 N N . ASP B 2 90 ? 28.234 -24.534 -14.174 1.00 43.17 ? 90 ASP B N 1 ATOM 3224 C CA . ASP B 2 90 ? 28.686 -25.406 -13.102 1.00 44.10 ? 90 ASP B CA 1 ATOM 3225 C C . ASP B 2 90 ? 29.556 -24.666 -12.080 1.00 43.68 ? 90 ASP B C 1 ATOM 3226 O O . ASP B 2 90 ? 29.519 -24.978 -10.888 1.00 43.68 ? 90 ASP B O 1 ATOM 3227 C CB . ASP B 2 90 ? 29.428 -26.617 -13.660 1.00 44.87 ? 90 ASP B CB 1 ATOM 3228 C CG . ASP B 2 90 ? 28.567 -27.456 -14.606 1.00 48.29 ? 90 ASP B CG 1 ATOM 3229 O OD1 . ASP B 2 90 ? 27.329 -27.583 -14.406 1.00 50.31 ? 90 ASP B OD1 1 ATOM 3230 O OD2 . ASP B 2 90 ? 29.143 -28.007 -15.569 1.00 52.09 ? 90 ASP B OD2 1 ATOM 3231 N N . VAL B 2 91 ? 30.335 -23.691 -12.548 1.00 43.15 ? 91 VAL B N 1 ATOM 3232 C CA . VAL B 2 91 ? 31.161 -22.880 -11.662 1.00 42.78 ? 91 VAL B CA 1 ATOM 3233 C C . VAL B 2 91 ? 30.285 -22.067 -10.718 1.00 43.31 ? 91 VAL B C 1 ATOM 3234 O O . VAL B 2 91 ? 30.521 -22.061 -9.506 1.00 43.23 ? 91 VAL B O 1 ATOM 3235 C CB . VAL B 2 91 ? 32.136 -21.976 -12.444 1.00 43.37 ? 91 VAL B CB 1 ATOM 3236 C CG1 . VAL B 2 91 ? 32.608 -20.787 -11.594 1.00 43.23 ? 91 VAL B CG1 1 ATOM 3237 C CG2 . VAL B 2 91 ? 33.326 -22.809 -12.959 1.00 42.33 ? 91 VAL B CG2 1 ATOM 3238 N N . TRP B 2 92 ? 29.266 -21.409 -11.267 1.00 43.70 ? 92 TRP B N 1 ATOM 3239 C CA . TRP B 2 92 ? 28.384 -20.583 -10.459 1.00 44.88 ? 92 TRP B CA 1 ATOM 3240 C C . TRP B 2 92 ? 27.431 -21.383 -9.582 1.00 44.43 ? 92 TRP B C 1 ATOM 3241 O O . TRP B 2 92 ? 27.091 -20.934 -8.504 1.00 44.66 ? 92 TRP B O 1 ATOM 3242 C CB . TRP B 2 92 ? 27.650 -19.526 -11.298 1.00 45.88 ? 92 TRP B CB 1 ATOM 3243 C CG . TRP B 2 92 ? 28.597 -18.495 -11.817 1.00 47.50 ? 92 TRP B CG 1 ATOM 3244 C CD1 . TRP B 2 92 ? 29.062 -18.380 -13.099 1.00 48.26 ? 92 TRP B CD1 1 ATOM 3245 C CD2 . TRP B 2 92 ? 29.235 -17.452 -11.063 1.00 48.84 ? 92 TRP B CD2 1 ATOM 3246 N NE1 . TRP B 2 92 ? 29.944 -17.331 -13.190 1.00 49.76 ? 92 TRP B NE1 1 ATOM 3247 C CE2 . TRP B 2 92 ? 30.068 -16.741 -11.959 1.00 49.49 ? 92 TRP B CE2 1 ATOM 3248 C CE3 . TRP B 2 92 ? 29.186 -17.051 -9.714 1.00 49.61 ? 92 TRP B CE3 1 ATOM 3249 C CZ2 . TRP B 2 92 ? 30.845 -15.640 -11.556 1.00 50.22 ? 92 TRP B CZ2 1 ATOM 3250 C CZ3 . TRP B 2 92 ? 29.960 -15.954 -9.313 1.00 49.42 ? 92 TRP B CZ3 1 ATOM 3251 C CH2 . TRP B 2 92 ? 30.780 -15.263 -10.234 1.00 50.42 ? 92 TRP B CH2 1 ATOM 3252 N N . THR B 2 93 ? 27.030 -22.567 -10.036 1.00 44.80 ? 93 THR B N 1 ATOM 3253 C CA . THR B 2 93 ? 26.219 -23.472 -9.227 1.00 45.34 ? 93 THR B CA 1 ATOM 3254 C C . THR B 2 93 ? 27.021 -23.890 -7.988 1.00 45.37 ? 93 THR B C 1 ATOM 3255 O O . THR B 2 93 ? 26.573 -23.686 -6.860 1.00 45.63 ? 93 THR B O 1 ATOM 3256 C CB . THR B 2 93 ? 25.724 -24.683 -10.060 1.00 46.47 ? 93 THR B CB 1 ATOM 3257 O OG1 . THR B 2 93 ? 24.898 -24.204 -11.133 1.00 47.13 ? 93 THR B OG1 1 ATOM 3258 C CG2 . THR B 2 93 ? 24.919 -25.670 -9.213 1.00 46.97 ? 93 THR B CG2 1 ATOM 3259 N N . TYR B 2 94 ? 28.212 -24.445 -8.211 1.00 44.84 ? 94 TYR B N 1 ATOM 3260 C CA . TYR B 2 94 ? 29.164 -24.755 -7.153 1.00 44.32 ? 94 TYR B CA 1 ATOM 3261 C C . TYR B 2 94 ? 29.386 -23.578 -6.187 1.00 43.87 ? 94 TYR B C 1 ATOM 3262 O O . TYR B 2 94 ? 29.278 -23.740 -4.971 1.00 43.36 ? 94 TYR B O 1 ATOM 3263 C CB . TYR B 2 94 ? 30.485 -25.184 -7.784 1.00 44.51 ? 94 TYR B CB 1 ATOM 3264 C CG . TYR B 2 94 ? 31.615 -25.420 -6.807 1.00 44.41 ? 94 TYR B CG 1 ATOM 3265 C CD1 . TYR B 2 94 ? 31.887 -26.695 -6.330 1.00 44.42 ? 94 TYR B CD1 1 ATOM 3266 C CD2 . TYR B 2 94 ? 32.420 -24.366 -6.373 1.00 43.99 ? 94 TYR B CD2 1 ATOM 3267 C CE1 . TYR B 2 94 ? 32.933 -26.920 -5.428 1.00 46.50 ? 94 TYR B CE1 1 ATOM 3268 C CE2 . TYR B 2 94 ? 33.462 -24.579 -5.479 1.00 45.02 ? 94 TYR B CE2 1 ATOM 3269 C CZ . TYR B 2 94 ? 33.716 -25.859 -5.015 1.00 45.98 ? 94 TYR B CZ 1 ATOM 3270 O OH . TYR B 2 94 ? 34.746 -26.070 -4.125 1.00 47.94 ? 94 TYR B OH 1 ATOM 3271 N N . ASN B 2 95 ? 29.705 -22.405 -6.741 1.00 43.70 ? 95 ASN B N 1 ATOM 3272 C CA . ASN B 2 95 ? 29.891 -21.171 -5.969 1.00 43.56 ? 95 ASN B CA 1 ATOM 3273 C C . ASN B 2 95 ? 28.707 -20.809 -5.081 1.00 43.42 ? 95 ASN B C 1 ATOM 3274 O O . ASN B 2 95 ? 28.889 -20.495 -3.905 1.00 43.38 ? 95 ASN B O 1 ATOM 3275 C CB . ASN B 2 95 ? 30.152 -19.988 -6.891 1.00 44.09 ? 95 ASN B CB 1 ATOM 3276 C CG . ASN B 2 95 ? 31.588 -19.880 -7.333 1.00 44.98 ? 95 ASN B CG 1 ATOM 3277 O OD1 . ASN B 2 95 ? 32.457 -20.649 -6.911 1.00 45.27 ? 95 ASN B OD1 1 ATOM 3278 N ND2 . ASN B 2 95 ? 31.853 -18.902 -8.202 1.00 46.19 ? 95 ASN B ND2 1 ATOM 3279 N N . ALA B 2 96 ? 27.507 -20.816 -5.660 1.00 43.03 ? 96 ALA B N 1 ATOM 3280 C CA . ALA B 2 96 ? 26.303 -20.483 -4.930 1.00 43.36 ? 96 ALA B CA 1 ATOM 3281 C C . ALA B 2 96 ? 26.001 -21.524 -3.844 1.00 43.41 ? 96 ALA B C 1 ATOM 3282 O O . ALA B 2 96 ? 25.683 -21.167 -2.712 1.00 43.52 ? 96 ALA B O 1 ATOM 3283 C CB . ALA B 2 96 ? 25.112 -20.321 -5.875 1.00 44.13 ? 96 ALA B CB 1 ATOM 3284 N N . GLU B 2 97 ? 26.114 -22.803 -4.188 1.00 43.38 ? 97 GLU B N 1 ATOM 3285 C CA . GLU B 2 97 ? 25.809 -23.882 -3.252 1.00 43.41 ? 97 GLU B CA 1 ATOM 3286 C C . GLU B 2 97 ? 26.808 -24.033 -2.108 1.00 43.21 ? 97 GLU B C 1 ATOM 3287 O O . GLU B 2 97 ? 26.416 -24.387 -0.984 1.00 43.28 ? 97 GLU B O 1 ATOM 3288 C CB . GLU B 2 97 ? 25.675 -25.196 -3.991 1.00 43.86 ? 97 GLU B CB 1 ATOM 3289 C CG . GLU B 2 97 ? 24.368 -25.316 -4.714 1.00 44.96 ? 97 GLU B CG 1 ATOM 3290 C CD . GLU B 2 97 ? 24.313 -26.529 -5.605 1.00 47.35 ? 97 GLU B CD 1 ATOM 3291 O OE1 . GLU B 2 97 ? 25.252 -27.357 -5.547 1.00 47.09 ? 97 GLU B OE1 1 ATOM 3292 O OE2 . GLU B 2 97 ? 23.333 -26.649 -6.376 1.00 49.36 ? 97 GLU B OE2 1 ATOM 3293 N N . LEU B 2 98 ? 28.082 -23.768 -2.391 1.00 42.55 ? 98 LEU B N 1 ATOM 3294 C CA . LEU B 2 98 ? 29.128 -23.833 -1.370 1.00 42.78 ? 98 LEU B CA 1 ATOM 3295 C C . LEU B 2 98 ? 29.107 -22.627 -0.425 1.00 42.72 ? 98 LEU B C 1 ATOM 3296 O O . LEU B 2 98 ? 29.278 -22.783 0.790 1.00 42.65 ? 98 LEU B O 1 ATOM 3297 C CB . LEU B 2 98 ? 30.519 -23.976 -1.992 1.00 42.65 ? 98 LEU B CB 1 ATOM 3298 C CG . LEU B 2 98 ? 31.664 -24.230 -1.000 1.00 43.57 ? 98 LEU B CG 1 ATOM 3299 C CD1 . LEU B 2 98 ? 31.494 -25.534 -0.235 1.00 43.03 ? 98 LEU B CD1 1 ATOM 3300 C CD2 . LEU B 2 98 ? 32.996 -24.219 -1.710 1.00 44.78 ? 98 LEU B CD2 1 ATOM 3301 N N . LEU B 2 99 ? 28.919 -21.432 -0.983 1.00 42.36 ? 99 LEU B N 1 ATOM 3302 C CA . LEU B 2 99 ? 28.849 -20.226 -0.183 1.00 42.75 ? 99 LEU B CA 1 ATOM 3303 C C . LEU B 2 99 ? 27.745 -20.366 0.858 1.00 42.30 ? 99 LEU B C 1 ATOM 3304 O O . LEU B 2 99 ? 27.933 -20.006 2.023 1.00 42.69 ? 99 LEU B O 1 ATOM 3305 C CB . LEU B 2 99 ? 28.615 -18.999 -1.060 1.00 43.17 ? 99 LEU B CB 1 ATOM 3306 C CG . LEU B 2 99 ? 28.532 -17.602 -0.432 1.00 44.43 ? 99 LEU B CG 1 ATOM 3307 C CD1 . LEU B 2 99 ? 29.664 -17.341 0.564 1.00 46.08 ? 99 LEU B CD1 1 ATOM 3308 C CD2 . LEU B 2 99 ? 28.556 -16.566 -1.525 1.00 44.60 ? 99 LEU B CD2 1 ATOM 3309 N N . VAL B 2 100 ? 26.616 -20.914 0.430 1.00 41.67 ? 100 VAL B N 1 ATOM 3310 C CA . VAL B 2 100 ? 25.472 -21.122 1.297 1.00 41.26 ? 100 VAL B CA 1 ATOM 3311 C C . VAL B 2 100 ? 25.721 -22.152 2.406 1.00 40.77 ? 100 VAL B C 1 ATOM 3312 O O . VAL B 2 100 ? 25.389 -21.878 3.547 1.00 40.23 ? 100 VAL B O 1 ATOM 3313 C CB . VAL B 2 100 ? 24.196 -21.428 0.493 1.00 41.80 ? 100 VAL B CB 1 ATOM 3314 C CG1 . VAL B 2 100 ? 23.070 -21.924 1.406 1.00 42.38 ? 100 VAL B CG1 1 ATOM 3315 C CG2 . VAL B 2 100 ? 23.751 -20.179 -0.258 1.00 42.81 ? 100 VAL B CG2 1 ATOM 3316 N N . LEU B 2 101 ? 26.290 -23.314 2.072 1.00 40.35 ? 101 LEU B N 1 ATOM 3317 C CA . LEU B 2 101 ? 26.685 -24.324 3.071 1.00 40.34 ? 101 LEU B CA 1 ATOM 3318 C C . LEU B 2 101 ? 27.651 -23.738 4.105 1.00 39.63 ? 101 LEU B C 1 ATOM 3319 O O . LEU B 2 101 ? 27.501 -23.967 5.304 1.00 38.99 ? 101 LEU B O 1 ATOM 3320 C CB . LEU B 2 101 ? 27.372 -25.536 2.416 1.00 41.07 ? 101 LEU B CB 1 ATOM 3321 C CG . LEU B 2 101 ? 26.664 -26.567 1.528 1.00 42.50 ? 101 LEU B CG 1 ATOM 3322 C CD1 . LEU B 2 101 ? 27.550 -27.809 1.326 1.00 42.68 ? 101 LEU B CD1 1 ATOM 3323 C CD2 . LEU B 2 101 ? 25.311 -26.984 2.086 1.00 42.40 ? 101 LEU B CD2 1 ATOM 3324 N N . MET B 2 102 ? 28.639 -22.989 3.625 1.00 38.84 ? 102 MET B N 1 ATOM 3325 C CA . MET B 2 102 ? 29.671 -22.419 4.487 1.00 39.47 ? 102 MET B CA 1 ATOM 3326 C C . MET B 2 102 ? 29.125 -21.303 5.358 1.00 38.45 ? 102 MET B C 1 ATOM 3327 O O . MET B 2 102 ? 29.415 -21.231 6.568 1.00 37.85 ? 102 MET B O 1 ATOM 3328 C CB . MET B 2 102 ? 30.841 -21.893 3.670 1.00 39.09 ? 102 MET B CB 1 ATOM 3329 C CG . MET B 2 102 ? 31.733 -22.966 3.107 1.00 40.60 ? 102 MET B CG 1 ATOM 3330 S SD . MET B 2 102 ? 33.086 -22.199 2.173 1.00 43.55 ? 102 MET B SD 1 ATOM 3331 C CE . MET B 2 102 ? 34.361 -23.444 2.387 1.00 44.79 ? 102 MET B CE 1 ATOM 3332 N N . GLU B 2 103 ? 28.330 -20.433 4.749 1.00 37.81 ? 103 GLU B N 1 ATOM 3333 C CA . GLU B 2 103 ? 27.750 -19.362 5.507 1.00 37.72 ? 103 GLU B CA 1 ATOM 3334 C C . GLU B 2 103 ? 26.658 -19.832 6.485 1.00 36.37 ? 103 GLU B C 1 ATOM 3335 O O . GLU B 2 103 ? 26.514 -19.235 7.545 1.00 35.84 ? 103 GLU B O 1 ATOM 3336 C CB . GLU B 2 103 ? 27.331 -18.186 4.620 1.00 39.15 ? 103 GLU B CB 1 ATOM 3337 C CG . GLU B 2 103 ? 28.544 -17.337 4.094 1.00 43.70 ? 103 GLU B CG 1 ATOM 3338 C CD . GLU B 2 103 ? 29.622 -17.023 5.177 1.00 51.18 ? 103 GLU B CD 1 ATOM 3339 O OE1 . GLU B 2 103 ? 29.251 -16.598 6.302 1.00 52.74 ? 103 GLU B OE1 1 ATOM 3340 O OE2 . GLU B 2 103 ? 30.845 -17.197 4.901 1.00 52.71 ? 103 GLU B OE2 1 ATOM 3341 N N . ASN B 2 104 ? 25.944 -20.911 6.155 1.00 34.89 ? 104 ASN B N 1 ATOM 3342 C CA . ASN B 2 104 ? 24.988 -21.533 7.081 1.00 35.00 ? 104 ASN B CA 1 ATOM 3343 C C . ASN B 2 104 ? 25.684 -22.105 8.315 1.00 34.70 ? 104 ASN B C 1 ATOM 3344 O O . ASN B 2 104 ? 25.207 -21.927 9.434 1.00 34.66 ? 104 ASN B O 1 ATOM 3345 C CB . ASN B 2 104 ? 24.168 -22.648 6.410 1.00 35.45 ? 104 ASN B CB 1 ATOM 3346 C CG . ASN B 2 104 ? 23.084 -22.112 5.481 1.00 36.04 ? 104 ASN B CG 1 ATOM 3347 O OD1 . ASN B 2 104 ? 22.836 -20.905 5.413 1.00 37.14 ? 104 ASN B OD1 1 ATOM 3348 N ND2 . ASN B 2 104 ? 22.434 -23.011 4.763 1.00 34.87 ? 104 ASN B ND2 1 ATOM 3349 N N . GLU B 2 105 ? 26.803 -22.797 8.100 1.00 34.25 ? 105 GLU B N 1 ATOM 3350 C CA . GLU B 2 105 ? 27.624 -23.285 9.197 1.00 35.07 ? 105 GLU B CA 1 ATOM 3351 C C . GLU B 2 105 ? 28.032 -22.136 10.135 1.00 34.33 ? 105 GLU B C 1 ATOM 3352 O O . GLU B 2 105 ? 27.861 -22.239 11.363 1.00 34.18 ? 105 GLU B O 1 ATOM 3353 C CB . GLU B 2 105 ? 28.857 -24.036 8.657 1.00 35.76 ? 105 GLU B CB 1 ATOM 3354 C CG . GLU B 2 105 ? 29.661 -24.792 9.731 1.00 39.00 ? 105 GLU B CG 1 ATOM 3355 C CD . GLU B 2 105 ? 29.018 -26.113 10.130 1.00 43.04 ? 105 GLU B CD 1 ATOM 3356 O OE1 . GLU B 2 105 ? 28.680 -26.914 9.227 1.00 45.07 ? 105 GLU B OE1 1 ATOM 3357 O OE2 . GLU B 2 105 ? 28.845 -26.358 11.345 1.00 44.31 ? 105 GLU B OE2 1 ATOM 3358 N N . HIS B 2 106 ? 28.547 -21.051 9.549 1.00 33.48 ? 106 HIS B N 1 ATOM 3359 C CA . HIS B 2 106 ? 28.995 -19.888 10.298 1.00 33.62 ? 106 HIS B CA 1 ATOM 3360 C C . HIS B 2 106 ? 27.866 -19.157 11.026 1.00 33.11 ? 106 HIS B C 1 ATOM 3361 O O . HIS B 2 106 ? 28.066 -18.731 12.169 1.00 33.25 ? 106 HIS B O 1 ATOM 3362 C CB . HIS B 2 106 ? 29.798 -18.908 9.422 1.00 34.31 ? 106 HIS B CB 1 ATOM 3363 C CG . HIS B 2 106 ? 30.278 -17.696 10.168 1.00 38.22 ? 106 HIS B CG 1 ATOM 3364 N ND1 . HIS B 2 106 ? 29.665 -16.462 10.062 1.00 40.93 ? 106 HIS B ND1 1 ATOM 3365 C CD2 . HIS B 2 106 ? 31.270 -17.543 11.083 1.00 42.67 ? 106 HIS B CD2 1 ATOM 3366 C CE1 . HIS B 2 106 ? 30.280 -15.596 10.850 1.00 43.95 ? 106 HIS B CE1 1 ATOM 3367 N NE2 . HIS B 2 106 ? 31.255 -16.226 11.487 1.00 44.56 ? 106 HIS B NE2 1 ATOM 3368 N N . THR B 2 107 ? 26.708 -19.005 10.368 1.00 32.11 ? 107 THR B N 1 ATOM 3369 C CA . THR B 2 107 ? 25.520 -18.386 10.956 1.00 32.07 ? 107 THR B CA 1 ATOM 3370 C C . THR B 2 107 ? 25.076 -19.096 12.238 1.00 32.39 ? 107 THR B C 1 ATOM 3371 O O . THR B 2 107 ? 24.810 -18.450 13.250 1.00 32.30 ? 107 THR B O 1 ATOM 3372 C CB . THR B 2 107 ? 24.336 -18.326 9.952 1.00 32.23 ? 107 THR B CB 1 ATOM 3373 O OG1 . THR B 2 107 ? 24.634 -17.367 8.939 1.00 32.09 ? 107 THR B OG1 1 ATOM 3374 C CG2 . THR B 2 107 ? 23.031 -17.879 10.633 1.00 32.47 ? 107 THR B CG2 1 ATOM 3375 N N . LEU B 2 108 ? 24.996 -20.423 12.179 1.00 32.64 ? 108 LEU B N 1 ATOM 3376 C CA . LEU B 2 108 ? 24.577 -21.230 13.321 1.00 33.26 ? 108 LEU B CA 1 ATOM 3377 C C . LEU B 2 108 ? 25.584 -21.110 14.470 1.00 33.12 ? 108 LEU B C 1 ATOM 3378 O O . LEU B 2 108 ? 25.188 -21.009 15.624 1.00 33.84 ? 108 LEU B O 1 ATOM 3379 C CB . LEU B 2 108 ? 24.355 -22.695 12.906 1.00 33.55 ? 108 LEU B CB 1 ATOM 3380 C CG . LEU B 2 108 ? 23.267 -22.961 11.854 1.00 34.04 ? 108 LEU B CG 1 ATOM 3381 C CD1 . LEU B 2 108 ? 23.028 -24.437 11.742 1.00 34.91 ? 108 LEU B CD1 1 ATOM 3382 C CD2 . LEU B 2 108 ? 21.948 -22.236 12.158 1.00 34.14 ? 108 LEU B CD2 1 ATOM 3383 N N . ASP B 2 109 ? 26.873 -21.060 14.136 1.00 32.79 ? 109 ASP B N 1 ATOM 3384 C CA . ASP B 2 109 ? 27.950 -20.890 15.120 1.00 33.16 ? 109 ASP B CA 1 ATOM 3385 C C . ASP B 2 109 ? 28.045 -19.466 15.686 1.00 32.02 ? 109 ASP B C 1 ATOM 3386 O O . ASP B 2 109 ? 28.458 -19.252 16.833 1.00 31.52 ? 109 ASP B O 1 ATOM 3387 C CB . ASP B 2 109 ? 29.303 -21.306 14.521 1.00 33.63 ? 109 ASP B CB 1 ATOM 3388 C CG . ASP B 2 109 ? 29.432 -22.821 14.344 1.00 36.79 ? 109 ASP B CG 1 ATOM 3389 O OD1 . ASP B 2 109 ? 28.815 -23.582 15.120 1.00 40.18 ? 109 ASP B OD1 1 ATOM 3390 O OD2 . ASP B 2 109 ? 30.162 -23.262 13.419 1.00 40.74 ? 109 ASP B OD2 1 ATOM 3391 N N . PHE B 2 110 ? 27.685 -18.504 14.853 1.00 31.16 ? 110 PHE B N 1 ATOM 3392 C CA . PHE B 2 110 ? 27.606 -17.113 15.243 1.00 30.99 ? 110 PHE B CA 1 ATOM 3393 C C . PHE B 2 110 ? 26.523 -16.952 16.327 1.00 31.00 ? 110 PHE B C 1 ATOM 3394 O O . PHE B 2 110 ? 26.752 -16.317 17.346 1.00 31.11 ? 110 PHE B O 1 ATOM 3395 C CB . PHE B 2 110 ? 27.294 -16.265 14.007 1.00 30.95 ? 110 PHE B CB 1 ATOM 3396 C CG . PHE B 2 110 ? 27.042 -14.807 14.294 1.00 31.44 ? 110 PHE B CG 1 ATOM 3397 C CD1 . PHE B 2 110 ? 27.995 -14.022 14.945 1.00 33.12 ? 110 PHE B CD1 1 ATOM 3398 C CD2 . PHE B 2 110 ? 25.859 -14.222 13.894 1.00 31.73 ? 110 PHE B CD2 1 ATOM 3399 C CE1 . PHE B 2 110 ? 27.758 -12.666 15.195 1.00 34.50 ? 110 PHE B CE1 1 ATOM 3400 C CE2 . PHE B 2 110 ? 25.619 -12.864 14.125 1.00 34.05 ? 110 PHE B CE2 1 ATOM 3401 C CZ . PHE B 2 110 ? 26.569 -12.086 14.775 1.00 33.57 ? 110 PHE B CZ 1 ATOM 3402 N N . HIS B 2 111 ? 25.355 -17.544 16.104 1.00 30.98 ? 111 HIS B N 1 ATOM 3403 C CA . HIS B 2 111 ? 24.281 -17.493 17.088 1.00 31.33 ? 111 HIS B CA 1 ATOM 3404 C C . HIS B 2 111 ? 24.724 -18.158 18.393 1.00 31.18 ? 111 HIS B C 1 ATOM 3405 O O . HIS B 2 111 ? 24.474 -17.630 19.466 1.00 31.80 ? 111 HIS B O 1 ATOM 3406 C CB . HIS B 2 111 ? 23.014 -18.161 16.558 1.00 31.41 ? 111 HIS B CB 1 ATOM 3407 C CG . HIS B 2 111 ? 22.273 -17.351 15.541 1.00 32.46 ? 111 HIS B CG 1 ATOM 3408 N ND1 . HIS B 2 111 ? 21.813 -16.075 15.791 1.00 33.09 ? 111 HIS B ND1 1 ATOM 3409 C CD2 . HIS B 2 111 ? 21.909 -17.635 14.267 1.00 33.05 ? 111 HIS B CD2 1 ATOM 3410 C CE1 . HIS B 2 111 ? 21.197 -15.610 14.719 1.00 32.38 ? 111 HIS B CE1 1 ATOM 3411 N NE2 . HIS B 2 111 ? 21.235 -16.538 13.783 1.00 33.15 ? 111 HIS B NE2 1 ATOM 3412 N N . ASP B 2 112 ? 25.390 -19.304 18.275 1.00 30.86 ? 112 ASP B N 1 ATOM 3413 C CA . ASP B 2 112 ? 25.916 -20.074 19.407 1.00 31.55 ? 112 ASP B CA 1 ATOM 3414 C C . ASP B 2 112 ? 26.901 -19.241 20.247 1.00 31.18 ? 112 ASP B C 1 ATOM 3415 O O . ASP B 2 112 ? 26.804 -19.192 21.476 1.00 31.00 ? 112 ASP B O 1 ATOM 3416 C CB . ASP B 2 112 ? 26.597 -21.340 18.858 1.00 31.93 ? 112 ASP B CB 1 ATOM 3417 C CG . ASP B 2 112 ? 26.788 -22.431 19.889 1.00 34.24 ? 112 ASP B CG 1 ATOM 3418 O OD1 . ASP B 2 112 ? 26.253 -22.350 21.028 1.00 36.03 ? 112 ASP B OD1 1 ATOM 3419 O OD2 . ASP B 2 112 ? 27.497 -23.402 19.534 1.00 36.25 ? 112 ASP B OD2 1 ATOM 3420 N N . SER B 2 113 ? 27.841 -18.603 19.563 1.00 30.72 ? 113 SER B N 1 ATOM 3421 C CA . SER B 2 113 ? 28.761 -17.622 20.147 1.00 30.78 ? 113 SER B CA 1 ATOM 3422 C C . SER B 2 113 ? 28.044 -16.477 20.880 1.00 31.09 ? 113 SER B C 1 ATOM 3423 O O . SER B 2 113 ? 28.448 -16.105 21.990 1.00 31.05 ? 113 SER B O 1 ATOM 3424 C CB . SER B 2 113 ? 29.642 -17.047 19.038 1.00 30.78 ? 113 SER B CB 1 ATOM 3425 O OG . SER B 2 113 ? 30.335 -15.891 19.456 1.00 32.17 ? 113 SER B OG 1 ATOM 3426 N N . ASN B 2 114 ? 26.985 -15.936 20.269 1.00 30.66 ? 114 ASN B N 1 ATOM 3427 C CA . ASN B 2 114 ? 26.245 -14.804 20.842 1.00 31.37 ? 114 ASN B CA 1 ATOM 3428 C C . ASN B 2 114 ? 25.561 -15.177 22.157 1.00 31.74 ? 114 ASN B C 1 ATOM 3429 O O . ASN B 2 114 ? 25.532 -14.382 23.098 1.00 32.69 ? 114 ASN B O 1 ATOM 3430 C CB . ASN B 2 114 ? 25.206 -14.255 19.855 1.00 31.37 ? 114 ASN B CB 1 ATOM 3431 C CG . ASN B 2 114 ? 25.829 -13.536 18.662 1.00 32.02 ? 114 ASN B CG 1 ATOM 3432 O OD1 . ASN B 2 114 ? 26.991 -13.115 18.703 1.00 34.32 ? 114 ASN B OD1 1 ATOM 3433 N ND2 . ASN B 2 114 ? 25.046 -13.385 17.588 1.00 29.99 ? 114 ASN B ND2 1 ATOM 3434 N N . VAL B 2 115 ? 24.992 -16.383 22.208 1.00 32.13 ? 115 VAL B N 1 ATOM 3435 C CA . VAL B 2 115 ? 24.413 -16.921 23.449 1.00 31.63 ? 115 VAL B CA 1 ATOM 3436 C C . VAL B 2 115 ? 25.482 -17.108 24.523 1.00 31.70 ? 115 VAL B C 1 ATOM 3437 O O . VAL B 2 115 ? 25.303 -16.675 25.669 1.00 32.29 ? 115 VAL B O 1 ATOM 3438 C CB . VAL B 2 115 ? 23.708 -18.268 23.226 1.00 31.96 ? 115 VAL B CB 1 ATOM 3439 C CG1 . VAL B 2 115 ? 23.275 -18.879 24.587 1.00 30.77 ? 115 VAL B CG1 1 ATOM 3440 C CG2 . VAL B 2 115 ? 22.521 -18.101 22.280 1.00 31.21 ? 115 VAL B CG2 1 ATOM 3441 N N . LYS B 2 116 ? 26.583 -17.752 24.149 1.00 31.45 ? 116 LYS B N 1 ATOM 3442 C CA . LYS B 2 116 ? 27.706 -17.982 25.054 1.00 32.36 ? 116 LYS B CA 1 ATOM 3443 C C . LYS B 2 116 ? 28.294 -16.675 25.589 1.00 32.46 ? 116 LYS B C 1 ATOM 3444 O O . LYS B 2 116 ? 28.581 -16.547 26.785 1.00 31.80 ? 116 LYS B O 1 ATOM 3445 C CB . LYS B 2 116 ? 28.804 -18.815 24.383 1.00 32.76 ? 116 LYS B CB 1 ATOM 3446 C CG . LYS B 2 116 ? 29.911 -19.184 25.374 1.00 35.56 ? 116 LYS B CG 1 ATOM 3447 C CD . LYS B 2 116 ? 31.205 -19.520 24.687 1.00 40.74 ? 116 LYS B CD 1 ATOM 3448 C CE . LYS B 2 116 ? 32.378 -19.493 25.676 1.00 44.89 ? 116 LYS B CE 1 ATOM 3449 N NZ . LYS B 2 116 ? 32.365 -20.663 26.578 1.00 46.60 ? 116 LYS B NZ 1 ATOM 3450 N N . ASN B 2 117 ? 28.466 -15.712 24.690 1.00 32.94 ? 117 ASN B N 1 ATOM 3451 C CA . ASN B 2 117 ? 28.963 -14.396 25.055 1.00 34.15 ? 117 ASN B CA 1 ATOM 3452 C C . ASN B 2 117 ? 28.033 -13.658 26.013 1.00 34.09 ? 117 ASN B C 1 ATOM 3453 O O . ASN B 2 117 ? 28.501 -12.994 26.927 1.00 35.39 ? 117 ASN B O 1 ATOM 3454 C CB . ASN B 2 117 ? 29.254 -13.579 23.803 1.00 34.60 ? 117 ASN B CB 1 ATOM 3455 C CG . ASN B 2 117 ? 30.551 -14.003 23.123 1.00 36.32 ? 117 ASN B CG 1 ATOM 3456 O OD1 . ASN B 2 117 ? 31.334 -14.781 23.675 1.00 35.77 ? 117 ASN B OD1 1 ATOM 3457 N ND2 . ASN B 2 117 ? 30.779 -13.490 21.912 1.00 36.69 ? 117 ASN B ND2 1 ATOM 3458 N N . LEU B 2 118 ? 26.724 -13.809 25.807 1.00 33.87 ? 118 LEU B N 1 ATOM 3459 C CA . LEU B 2 118 ? 25.725 -13.235 26.692 1.00 34.05 ? 118 LEU B CA 1 ATOM 3460 C C . LEU B 2 118 ? 25.750 -13.889 28.079 1.00 33.68 ? 118 LEU B C 1 ATOM 3461 O O . LEU B 2 118 ? 25.719 -13.192 29.088 1.00 33.98 ? 118 LEU B O 1 ATOM 3462 C CB . LEU B 2 118 ? 24.327 -13.309 26.078 1.00 34.23 ? 118 LEU B CB 1 ATOM 3463 C CG . LEU B 2 118 ? 23.193 -12.701 26.921 1.00 35.39 ? 118 LEU B CG 1 ATOM 3464 C CD1 . LEU B 2 118 ? 23.480 -11.246 27.325 1.00 37.31 ? 118 LEU B CD1 1 ATOM 3465 C CD2 . LEU B 2 118 ? 21.871 -12.808 26.182 1.00 35.83 ? 118 LEU B CD2 1 ATOM 3466 N N . TYR B 2 119 ? 25.833 -15.216 28.110 1.00 32.69 ? 119 TYR B N 1 ATOM 3467 C CA . TYR B 2 119 ? 26.016 -15.961 29.344 1.00 33.16 ? 119 TYR B CA 1 ATOM 3468 C C . TYR B 2 119 ? 27.270 -15.520 30.127 1.00 33.58 ? 119 TYR B C 1 ATOM 3469 O O . TYR B 2 119 ? 27.206 -15.300 31.345 1.00 33.53 ? 119 TYR B O 1 ATOM 3470 C CB . TYR B 2 119 ? 26.069 -17.461 29.050 1.00 32.61 ? 119 TYR B CB 1 ATOM 3471 C CG . TYR B 2 119 ? 26.186 -18.291 30.288 1.00 33.74 ? 119 TYR B CG 1 ATOM 3472 C CD1 . TYR B 2 119 ? 25.061 -18.611 31.045 1.00 35.01 ? 119 TYR B CD1 1 ATOM 3473 C CD2 . TYR B 2 119 ? 27.428 -18.756 30.718 1.00 35.04 ? 119 TYR B CD2 1 ATOM 3474 C CE1 . TYR B 2 119 ? 25.173 -19.371 32.211 1.00 34.68 ? 119 TYR B CE1 1 ATOM 3475 C CE2 . TYR B 2 119 ? 27.542 -19.499 31.867 1.00 37.45 ? 119 TYR B CE2 1 ATOM 3476 C CZ . TYR B 2 119 ? 26.412 -19.803 32.605 1.00 34.88 ? 119 TYR B CZ 1 ATOM 3477 O OH . TYR B 2 119 ? 26.560 -20.553 33.733 1.00 37.39 ? 119 TYR B OH 1 ATOM 3478 N N . ASP B 2 120 ? 28.397 -15.395 29.431 1.00 34.00 ? 120 ASP B N 1 ATOM 3479 C CA . ASP B 2 120 ? 29.655 -15.011 30.072 1.00 35.83 ? 120 ASP B CA 1 ATOM 3480 C C . ASP B 2 120 ? 29.633 -13.580 30.581 1.00 36.54 ? 120 ASP B C 1 ATOM 3481 O O . ASP B 2 120 ? 30.175 -13.300 31.632 1.00 37.54 ? 120 ASP B O 1 ATOM 3482 C CB . ASP B 2 120 ? 30.827 -15.203 29.132 1.00 36.51 ? 120 ASP B CB 1 ATOM 3483 C CG . ASP B 2 120 ? 31.140 -16.652 28.881 1.00 38.98 ? 120 ASP B CG 1 ATOM 3484 O OD1 . ASP B 2 120 ? 30.902 -17.499 29.776 1.00 41.23 ? 120 ASP B OD1 1 ATOM 3485 O OD2 . ASP B 2 120 ? 31.670 -16.946 27.787 1.00 41.11 ? 120 ASP B OD2 1 ATOM 3486 N N . LYS B 2 121 ? 29.004 -12.687 29.824 1.00 36.92 ? 121 LYS B N 1 ATOM 3487 C CA . LYS B 2 121 ? 28.803 -11.304 30.231 1.00 38.77 ? 121 LYS B CA 1 ATOM 3488 C C . LYS B 2 121 ? 28.060 -11.231 31.571 1.00 38.83 ? 121 LYS B C 1 ATOM 3489 O O . LYS B 2 121 ? 28.520 -10.580 32.506 1.00 39.96 ? 121 LYS B O 1 ATOM 3490 C CB . LYS B 2 121 ? 28.025 -10.567 29.147 1.00 39.30 ? 121 LYS B CB 1 ATOM 3491 C CG . LYS B 2 121 ? 28.089 -9.064 29.263 1.00 42.96 ? 121 LYS B CG 1 ATOM 3492 C CD . LYS B 2 121 ? 27.229 -8.382 28.195 1.00 46.31 ? 121 LYS B CD 1 ATOM 3493 C CE . LYS B 2 121 ? 27.350 -6.839 28.265 1.00 50.40 ? 121 LYS B CE 1 ATOM 3494 N NZ . LYS B 2 121 ? 27.250 -6.315 29.671 1.00 53.11 ? 121 LYS B NZ 1 ATOM 3495 N N . VAL B 2 122 ? 26.927 -11.923 31.665 1.00 38.18 ? 122 VAL B N 1 ATOM 3496 C CA . VAL B 2 122 ? 26.143 -11.975 32.896 1.00 38.50 ? 122 VAL B CA 1 ATOM 3497 C C . VAL B 2 122 ? 26.963 -12.619 34.038 1.00 39.05 ? 122 VAL B C 1 ATOM 3498 O O . VAL B 2 122 ? 27.030 -12.074 35.137 1.00 39.65 ? 122 VAL B O 1 ATOM 3499 C CB . VAL B 2 122 ? 24.781 -12.686 32.643 1.00 37.93 ? 122 VAL B CB 1 ATOM 3500 C CG1 . VAL B 2 122 ? 24.022 -12.968 33.948 1.00 37.64 ? 122 VAL B CG1 1 ATOM 3501 C CG2 . VAL B 2 122 ? 23.925 -11.851 31.706 1.00 37.47 ? 122 VAL B CG2 1 ATOM 3502 N N . ARG B 2 123 ? 27.616 -13.750 33.747 1.00 39.27 ? 123 ARG B N 1 ATOM 3503 C CA . ARG B 2 123 ? 28.459 -14.477 34.708 1.00 40.07 ? 123 ARG B CA 1 ATOM 3504 C C . ARG B 2 123 ? 29.597 -13.618 35.274 1.00 41.92 ? 123 ARG B C 1 ATOM 3505 O O . ARG B 2 123 ? 29.792 -13.559 36.490 1.00 41.71 ? 123 ARG B O 1 ATOM 3506 C CB . ARG B 2 123 ? 29.018 -15.766 34.084 1.00 39.35 ? 123 ARG B CB 1 ATOM 3507 C CG . ARG B 2 123 ? 29.967 -16.545 34.983 1.00 40.62 ? 123 ARG B CG 1 ATOM 3508 C CD . ARG B 2 123 ? 30.531 -17.800 34.316 1.00 41.96 ? 123 ARG B CD 1 ATOM 3509 N NE . ARG B 2 123 ? 31.309 -17.523 33.105 1.00 44.47 ? 123 ARG B NE 1 ATOM 3510 C CZ . ARG B 2 123 ? 32.589 -17.144 33.103 1.00 46.16 ? 123 ARG B CZ 1 ATOM 3511 N NH1 . ARG B 2 123 ? 33.244 -16.985 34.255 1.00 46.10 ? 123 ARG B NH1 1 ATOM 3512 N NH2 . ARG B 2 123 ? 33.209 -16.912 31.951 1.00 43.50 ? 123 ARG B NH2 1 ATOM 3513 N N . MET B 2 124 ? 30.341 -12.966 34.382 1.00 43.60 ? 124 MET B N 1 ATOM 3514 C CA . MET B 2 124 ? 31.476 -12.139 34.776 1.00 47.03 ? 124 MET B CA 1 ATOM 3515 C C . MET B 2 124 ? 31.065 -10.891 35.558 1.00 47.39 ? 124 MET B C 1 ATOM 3516 O O . MET B 2 124 ? 31.891 -10.274 36.223 1.00 48.99 ? 124 MET B O 1 ATOM 3517 C CB . MET B 2 124 ? 32.351 -11.797 33.566 1.00 47.15 ? 124 MET B CB 1 ATOM 3518 C CG . MET B 2 124 ? 33.153 -13.006 33.062 1.00 49.12 ? 124 MET B CG 1 ATOM 3519 S SD . MET B 2 124 ? 34.094 -12.762 31.523 1.00 52.42 ? 124 MET B SD 1 ATOM 3520 C CE . MET B 2 124 ? 35.559 -11.966 32.185 1.00 54.30 ? 124 MET B CE 1 ATOM 3521 N N . GLN B 2 125 ? 29.780 -10.546 35.501 1.00 47.20 ? 125 GLN B N 1 ATOM 3522 C CA . GLN B 2 125 ? 29.225 -9.440 36.286 1.00 47.78 ? 125 GLN B CA 1 ATOM 3523 C C . GLN B 2 125 ? 28.695 -9.833 37.683 1.00 47.10 ? 125 GLN B C 1 ATOM 3524 O O . GLN B 2 125 ? 28.862 -9.089 38.654 1.00 48.39 ? 125 GLN B O 1 ATOM 3525 C CB . GLN B 2 125 ? 28.160 -8.710 35.468 1.00 48.04 ? 125 GLN B CB 1 ATOM 3526 C CG . GLN B 2 125 ? 27.648 -7.448 36.135 1.00 51.28 ? 125 GLN B CG 1 ATOM 3527 C CD . GLN B 2 125 ? 27.420 -6.313 35.157 1.00 54.28 ? 125 GLN B CD 1 ATOM 3528 O OE1 . GLN B 2 125 ? 26.492 -6.356 34.360 1.00 53.16 ? 125 GLN B OE1 1 ATOM 3529 N NE2 . GLN B 2 125 ? 28.263 -5.272 35.236 1.00 55.85 ? 125 GLN B NE2 1 ATOM 3530 N N . LEU B 2 126 ? 28.077 -11.006 37.786 1.00 45.52 ? 126 LEU B N 1 ATOM 3531 C CA . LEU B 2 126 ? 27.518 -11.501 39.048 1.00 44.18 ? 126 LEU B CA 1 ATOM 3532 C C . LEU B 2 126 ? 28.561 -12.091 40.003 1.00 44.99 ? 126 LEU B C 1 ATOM 3533 O O . LEU B 2 126 ? 28.403 -12.010 41.216 1.00 44.35 ? 126 LEU B O 1 ATOM 3534 C CB . LEU B 2 126 ? 26.416 -12.527 38.775 1.00 42.94 ? 126 LEU B CB 1 ATOM 3535 C CG . LEU B 2 126 ? 25.212 -12.034 37.965 1.00 42.48 ? 126 LEU B CG 1 ATOM 3536 C CD1 . LEU B 2 126 ? 24.207 -13.160 37.703 1.00 41.31 ? 126 LEU B CD1 1 ATOM 3537 C CD2 . LEU B 2 126 ? 24.525 -10.853 38.642 1.00 42.78 ? 126 LEU B CD2 1 ATOM 3538 N N . ARG B 2 127 ? 29.613 -12.690 39.442 1.00 45.51 ? 127 ARG B N 1 ATOM 3539 C CA . ARG B 2 127 ? 30.721 -13.262 40.205 1.00 46.82 ? 127 ARG B CA 1 ATOM 3540 C C . ARG B 2 127 ? 30.252 -14.284 41.256 1.00 46.51 ? 127 ARG B C 1 ATOM 3541 O O . ARG B 2 127 ? 29.449 -15.156 40.942 1.00 45.51 ? 127 ARG B O 1 ATOM 3542 C CB . ARG B 2 127 ? 31.602 -12.149 40.794 1.00 48.61 ? 127 ARG B CB 1 ATOM 3543 C CG . ARG B 2 127 ? 32.365 -11.397 39.711 1.00 50.66 ? 127 ARG B CG 1 ATOM 3544 C CD . ARG B 2 127 ? 32.663 -9.964 40.095 1.00 54.15 ? 127 ARG B CD 1 ATOM 3545 N NE . ARG B 2 127 ? 33.829 -9.844 40.962 1.00 57.93 ? 127 ARG B NE 1 ATOM 3546 C CZ . ARG B 2 127 ? 34.424 -8.688 41.247 1.00 62.49 ? 127 ARG B CZ 1 ATOM 3547 N NH1 . ARG B 2 127 ? 33.975 -7.556 40.709 1.00 64.01 ? 127 ARG B NH1 1 ATOM 3548 N NH2 . ARG B 2 127 ? 35.474 -8.658 42.061 1.00 64.79 ? 127 ARG B NH2 1 ATOM 3549 N N . ASP B 2 128 ? 30.736 -14.175 42.493 1.00 47.28 ? 128 ASP B N 1 ATOM 3550 C CA . ASP B 2 128 ? 30.330 -15.112 43.549 1.00 47.13 ? 128 ASP B CA 1 ATOM 3551 C C . ASP B 2 128 ? 29.097 -14.660 44.347 1.00 46.03 ? 128 ASP B C 1 ATOM 3552 O O . ASP B 2 128 ? 28.781 -15.219 45.407 1.00 46.37 ? 128 ASP B O 1 ATOM 3553 C CB . ASP B 2 128 ? 31.515 -15.454 44.469 1.00 49.17 ? 128 ASP B CB 1 ATOM 3554 C CG . ASP B 2 128 ? 32.152 -14.222 45.117 1.00 51.24 ? 128 ASP B CG 1 ATOM 3555 O OD1 . ASP B 2 128 ? 31.850 -13.078 44.701 1.00 51.93 ? 128 ASP B OD1 1 ATOM 3556 O OD2 . ASP B 2 128 ? 32.975 -14.406 46.045 1.00 53.44 ? 128 ASP B OD2 1 ATOM 3557 N N . ASN B 2 129 ? 28.391 -13.661 43.825 1.00 44.61 ? 129 ASN B N 1 ATOM 3558 C CA . ASN B 2 129 ? 27.105 -13.271 44.379 1.00 43.72 ? 129 ASN B CA 1 ATOM 3559 C C . ASN B 2 129 ? 25.995 -14.248 43.977 1.00 42.72 ? 129 ASN B C 1 ATOM 3560 O O . ASN B 2 129 ? 24.863 -14.156 44.474 1.00 42.64 ? 129 ASN B O 1 ATOM 3561 C CB . ASN B 2 129 ? 26.747 -11.834 43.973 1.00 43.87 ? 129 ASN B CB 1 ATOM 3562 C CG . ASN B 2 129 ? 27.545 -10.769 44.743 1.00 45.51 ? 129 ASN B CG 1 ATOM 3563 O OD1 . ASN B 2 129 ? 28.429 -11.078 45.544 1.00 44.84 ? 129 ASN B OD1 1 ATOM 3564 N ND2 . ASN B 2 129 ? 27.231 -9.502 44.484 1.00 46.54 ? 129 ASN B ND2 1 ATOM 3565 N N . VAL B 2 130 ? 26.331 -15.170 43.070 1.00 42.23 ? 130 VAL B N 1 ATOM 3566 C CA . VAL B 2 130 ? 25.412 -16.194 42.546 1.00 41.54 ? 130 VAL B CA 1 ATOM 3567 C C . VAL B 2 130 ? 26.054 -17.585 42.500 1.00 42.51 ? 130 VAL B C 1 ATOM 3568 O O . VAL B 2 130 ? 27.276 -17.726 42.540 1.00 42.85 ? 130 VAL B O 1 ATOM 3569 C CB . VAL B 2 130 ? 24.847 -15.852 41.113 1.00 40.78 ? 130 VAL B CB 1 ATOM 3570 C CG1 . VAL B 2 130 ? 24.140 -14.504 41.097 1.00 39.44 ? 130 VAL B CG1 1 ATOM 3571 C CG2 . VAL B 2 130 ? 25.939 -15.909 40.039 1.00 39.54 ? 130 VAL B CG2 1 ATOM 3572 N N . LYS B 2 131 ? 25.201 -18.602 42.433 1.00 43.54 ? 131 LYS B N 1 ATOM 3573 C CA . LYS B 2 131 ? 25.582 -19.979 42.119 1.00 45.39 ? 131 LYS B CA 1 ATOM 3574 C C . LYS B 2 131 ? 25.365 -20.186 40.634 1.00 44.62 ? 131 LYS B C 1 ATOM 3575 O O . LYS B 2 131 ? 24.294 -19.849 40.133 1.00 44.35 ? 131 LYS B O 1 ATOM 3576 C CB . LYS B 2 131 ? 24.639 -20.951 42.828 1.00 46.43 ? 131 LYS B CB 1 ATOM 3577 C CG . LYS B 2 131 ? 25.235 -21.820 43.901 1.00 49.38 ? 131 LYS B CG 1 ATOM 3578 C CD . LYS B 2 131 ? 24.135 -22.674 44.567 1.00 50.30 ? 131 LYS B CD 1 ATOM 3579 C CE . LYS B 2 131 ? 23.342 -21.900 45.643 1.00 52.95 ? 131 LYS B CE 1 ATOM 3580 N NZ . LYS B 2 131 ? 23.688 -22.307 47.056 1.00 55.09 ? 131 LYS B NZ 1 ATOM 3581 N N . GLU B 2 132 ? 26.363 -20.743 39.948 1.00 44.87 ? 132 GLU B N 1 ATOM 3582 C CA . GLU B 2 132 ? 26.233 -21.211 38.571 1.00 44.99 ? 132 GLU B CA 1 ATOM 3583 C C . GLU B 2 132 ? 25.711 -22.652 38.561 1.00 46.00 ? 132 GLU B C 1 ATOM 3584 O O . GLU B 2 132 ? 26.442 -23.572 38.909 1.00 47.68 ? 132 GLU B O 1 ATOM 3585 C CB . GLU B 2 132 ? 27.599 -21.208 37.900 1.00 45.22 ? 132 GLU B CB 1 ATOM 3586 C CG . GLU B 2 132 ? 27.845 -20.142 36.878 1.00 45.32 ? 132 GLU B CG 1 ATOM 3587 C CD . GLU B 2 132 ? 29.015 -20.521 35.964 1.00 47.74 ? 132 GLU B CD 1 ATOM 3588 O OE1 . GLU B 2 132 ? 28.795 -20.785 34.762 1.00 47.03 ? 132 GLU B OE1 1 ATOM 3589 O OE2 . GLU B 2 132 ? 30.161 -20.573 36.455 1.00 50.23 ? 132 GLU B OE2 1 ATOM 3590 N N . LEU B 2 133 ? 24.461 -22.851 38.156 1.00 45.87 ? 133 LEU B N 1 ATOM 3591 C CA . LEU B 2 133 ? 23.849 -24.188 38.200 1.00 47.46 ? 133 LEU B CA 1 ATOM 3592 C C . LEU B 2 133 ? 24.300 -25.154 37.097 1.00 48.27 ? 133 LEU B C 1 ATOM 3593 O O . LEU B 2 133 ? 24.164 -26.370 37.253 1.00 50.42 ? 133 LEU B O 1 ATOM 3594 C CB . LEU B 2 133 ? 22.325 -24.091 38.254 1.00 47.66 ? 133 LEU B CB 1 ATOM 3595 C CG . LEU B 2 133 ? 21.740 -23.316 39.437 1.00 47.30 ? 133 LEU B CG 1 ATOM 3596 C CD1 . LEU B 2 133 ? 20.223 -23.330 39.375 1.00 47.19 ? 133 LEU B CD1 1 ATOM 3597 C CD2 . LEU B 2 133 ? 22.226 -23.874 40.775 1.00 49.12 ? 133 LEU B CD2 1 ATOM 3598 N N . GLY B 2 134 ? 24.842 -24.613 36.004 1.00 46.92 ? 134 GLY B N 1 ATOM 3599 C CA . GLY B 2 134 ? 25.392 -25.421 34.916 1.00 47.44 ? 134 GLY B CA 1 ATOM 3600 C C . GLY B 2 134 ? 24.468 -25.625 33.729 1.00 47.35 ? 134 GLY B C 1 ATOM 3601 O O . GLY B 2 134 ? 24.853 -26.255 32.744 1.00 48.30 ? 134 GLY B O 1 ATOM 3602 N N . ASN B 2 135 ? 23.255 -25.083 33.827 1.00 46.82 ? 135 ASN B N 1 ATOM 3603 C CA . ASN B 2 135 ? 22.203 -25.230 32.810 1.00 46.76 ? 135 ASN B CA 1 ATOM 3604 C C . ASN B 2 135 ? 21.858 -23.902 32.122 1.00 44.26 ? 135 ASN B C 1 ATOM 3605 O O . ASN B 2 135 ? 20.818 -23.783 31.475 1.00 44.49 ? 135 ASN B O 1 ATOM 3606 C CB . ASN B 2 135 ? 20.930 -25.798 33.472 1.00 48.67 ? 135 ASN B CB 1 ATOM 3607 C CG . ASN B 2 135 ? 20.394 -24.897 34.593 1.00 49.19 ? 135 ASN B CG 1 ATOM 3608 O OD1 . ASN B 2 135 ? 21.114 -24.044 35.120 1.00 47.58 ? 135 ASN B OD1 1 ATOM 3609 N ND2 . ASN B 2 135 ? 19.126 -25.090 34.963 1.00 52.07 ? 135 ASN B ND2 1 ATOM 3610 N N . GLY B 2 136 ? 22.718 -22.899 32.288 1.00 42.42 ? 136 GLY B N 1 ATOM 3611 C CA . GLY B 2 136 ? 22.447 -21.560 31.782 1.00 40.54 ? 136 GLY B CA 1 ATOM 3612 C C . GLY B 2 136 ? 21.816 -20.646 32.830 1.00 40.67 ? 136 GLY B C 1 ATOM 3613 O O . GLY B 2 136 ? 21.583 -19.474 32.549 1.00 39.52 ? 136 GLY B O 1 ATOM 3614 N N . CYS B 2 137 ? 21.549 -21.178 34.031 1.00 41.42 ? 137 CYS B N 1 ATOM 3615 C CA . CYS B 2 137 ? 20.946 -20.391 35.140 1.00 42.08 ? 137 CYS B CA 1 ATOM 3616 C C . CYS B 2 137 ? 21.917 -20.023 36.265 1.00 40.56 ? 137 CYS B C 1 ATOM 3617 O O . CYS B 2 137 ? 22.855 -20.760 36.563 1.00 40.24 ? 137 CYS B O 1 ATOM 3618 C CB . CYS B 2 137 ? 19.728 -21.116 35.747 1.00 44.33 ? 137 CYS B CB 1 ATOM 3619 S SG . CYS B 2 137 ? 18.376 -21.468 34.573 1.00 50.46 ? 137 CYS B SG 1 ATOM 3620 N N . PHE B 2 138 ? 21.671 -18.872 36.880 1.00 40.15 ? 138 PHE B N 1 ATOM 3621 C CA . PHE B 2 138 ? 22.408 -18.410 38.054 1.00 40.12 ? 138 PHE B CA 1 ATOM 3622 C C . PHE B 2 138 ? 21.440 -18.287 39.237 1.00 41.20 ? 138 PHE B C 1 ATOM 3623 O O . PHE B 2 138 ? 20.374 -17.703 39.108 1.00 41.35 ? 138 PHE B O 1 ATOM 3624 C CB . PHE B 2 138 ? 23.040 -17.032 37.799 1.00 39.03 ? 138 PHE B CB 1 ATOM 3625 C CG . PHE B 2 138 ? 23.896 -16.968 36.572 1.00 38.27 ? 138 PHE B CG 1 ATOM 3626 C CD1 . PHE B 2 138 ? 25.253 -17.257 36.643 1.00 37.56 ? 138 PHE B CD1 1 ATOM 3627 C CD2 . PHE B 2 138 ? 23.350 -16.601 35.342 1.00 37.70 ? 138 PHE B CD2 1 ATOM 3628 C CE1 . PHE B 2 138 ? 26.042 -17.203 35.512 1.00 36.14 ? 138 PHE B CE1 1 ATOM 3629 C CE2 . PHE B 2 138 ? 24.136 -16.548 34.202 1.00 36.20 ? 138 PHE B CE2 1 ATOM 3630 C CZ . PHE B 2 138 ? 25.483 -16.841 34.291 1.00 35.80 ? 138 PHE B CZ 1 ATOM 3631 N N . GLU B 2 139 ? 21.815 -18.825 40.393 1.00 42.41 ? 139 GLU B N 1 ATOM 3632 C CA . GLU B 2 139 ? 20.985 -18.711 41.581 1.00 43.79 ? 139 GLU B CA 1 ATOM 3633 C C . GLU B 2 139 ? 21.617 -17.683 42.512 1.00 43.50 ? 139 GLU B C 1 ATOM 3634 O O . GLU B 2 139 ? 22.769 -17.831 42.906 1.00 43.53 ? 139 GLU B O 1 ATOM 3635 C CB . GLU B 2 139 ? 20.822 -20.073 42.258 1.00 44.98 ? 139 GLU B CB 1 ATOM 3636 C CG . GLU B 2 139 ? 19.902 -20.067 43.497 1.00 47.55 ? 139 GLU B CG 1 ATOM 3637 C CD . GLU B 2 139 ? 19.967 -21.357 44.297 1.00 49.50 ? 139 GLU B CD 1 ATOM 3638 O OE1 . GLU B 2 139 ? 19.906 -22.451 43.689 1.00 52.65 ? 139 GLU B OE1 1 ATOM 3639 O OE2 . GLU B 2 139 ? 20.071 -21.275 45.549 1.00 55.49 ? 139 GLU B OE2 1 ATOM 3640 N N . PHE B 2 140 ? 20.864 -16.637 42.848 1.00 44.04 ? 140 PHE B N 1 ATOM 3641 C CA . PHE B 2 140 ? 21.357 -15.545 43.683 1.00 44.22 ? 140 PHE B CA 1 ATOM 3642 C C . PHE B 2 140 ? 21.544 -15.951 45.148 1.00 45.33 ? 140 PHE B C 1 ATOM 3643 O O . PHE B 2 140 ? 20.734 -16.691 45.700 1.00 46.06 ? 140 PHE B O 1 ATOM 3644 C CB . PHE B 2 140 ? 20.415 -14.338 43.583 1.00 44.44 ? 140 PHE B CB 1 ATOM 3645 C CG . PHE B 2 140 ? 20.505 -13.607 42.268 1.00 44.13 ? 140 PHE B CG 1 ATOM 3646 C CD1 . PHE B 2 140 ? 21.327 -12.495 42.131 1.00 43.63 ? 140 PHE B CD1 1 ATOM 3647 C CD2 . PHE B 2 140 ? 19.792 -14.047 41.157 1.00 45.62 ? 140 PHE B CD2 1 ATOM 3648 C CE1 . PHE B 2 140 ? 21.434 -11.827 40.914 1.00 43.61 ? 140 PHE B CE1 1 ATOM 3649 C CE2 . PHE B 2 140 ? 19.898 -13.382 39.927 1.00 45.00 ? 140 PHE B CE2 1 ATOM 3650 C CZ . PHE B 2 140 ? 20.714 -12.267 39.812 1.00 43.55 ? 140 PHE B CZ 1 ATOM 3651 N N . TYR B 2 141 ? 22.626 -15.470 45.753 1.00 45.78 ? 141 TYR B N 1 ATOM 3652 C CA . TYR B 2 141 ? 22.877 -15.617 47.191 1.00 47.26 ? 141 TYR B CA 1 ATOM 3653 C C . TYR B 2 141 ? 22.304 -14.419 47.963 1.00 48.16 ? 141 TYR B C 1 ATOM 3654 O O . TYR B 2 141 ? 22.495 -14.286 49.164 1.00 48.75 ? 141 TYR B O 1 ATOM 3655 C CB . TYR B 2 141 ? 24.376 -15.707 47.457 1.00 46.93 ? 141 TYR B CB 1 ATOM 3656 C CG . TYR B 2 141 ? 25.009 -17.045 47.175 1.00 47.72 ? 141 TYR B CG 1 ATOM 3657 C CD1 . TYR B 2 141 ? 24.649 -18.175 47.912 1.00 48.66 ? 141 TYR B CD1 1 ATOM 3658 C CD2 . TYR B 2 141 ? 26.003 -17.178 46.205 1.00 45.91 ? 141 TYR B CD2 1 ATOM 3659 C CE1 . TYR B 2 141 ? 25.243 -19.408 47.675 1.00 50.80 ? 141 TYR B CE1 1 ATOM 3660 C CE2 . TYR B 2 141 ? 26.611 -18.411 45.963 1.00 47.81 ? 141 TYR B CE2 1 ATOM 3661 C CZ . TYR B 2 141 ? 26.224 -19.520 46.700 1.00 49.44 ? 141 TYR B CZ 1 ATOM 3662 O OH . TYR B 2 141 ? 26.810 -20.746 46.490 1.00 51.31 ? 141 TYR B OH 1 ATOM 3663 N N . HIS B 2 142 ? 21.613 -13.538 47.256 1.00 49.34 ? 142 HIS B N 1 ATOM 3664 C CA . HIS B 2 142 ? 20.939 -12.398 47.865 1.00 50.74 ? 142 HIS B CA 1 ATOM 3665 C C . HIS B 2 142 ? 19.617 -12.205 47.138 1.00 52.06 ? 142 HIS B C 1 ATOM 3666 O O . HIS B 2 142 ? 19.484 -12.625 45.992 1.00 51.89 ? 142 HIS B O 1 ATOM 3667 C CB . HIS B 2 142 ? 21.801 -11.145 47.743 1.00 50.73 ? 142 HIS B CB 1 ATOM 3668 C CG . HIS B 2 142 ? 21.968 -10.655 46.334 1.00 50.87 ? 142 HIS B CG 1 ATOM 3669 N ND1 . HIS B 2 142 ? 21.032 -9.863 45.705 1.00 50.68 ? 142 HIS B ND1 1 ATOM 3670 C CD2 . HIS B 2 142 ? 22.966 -10.838 45.440 1.00 49.40 ? 142 HIS B CD2 1 ATOM 3671 C CE1 . HIS B 2 142 ? 21.448 -9.577 44.486 1.00 48.68 ? 142 HIS B CE1 1 ATOM 3672 N NE2 . HIS B 2 142 ? 22.620 -10.155 44.302 1.00 48.67 ? 142 HIS B NE2 1 ATOM 3673 N N . LYS B 2 143 ? 18.640 -11.578 47.794 1.00 53.73 ? 143 LYS B N 1 ATOM 3674 C CA . LYS B 2 143 ? 17.354 -11.316 47.147 1.00 55.32 ? 143 LYS B CA 1 ATOM 3675 C C . LYS B 2 143 ? 17.481 -10.294 46.028 1.00 55.39 ? 143 LYS B C 1 ATOM 3676 O O . LYS B 2 143 ? 17.977 -9.184 46.237 1.00 55.42 ? 143 LYS B O 1 ATOM 3677 C CB . LYS B 2 143 ? 16.283 -10.901 48.157 1.00 57.27 ? 143 LYS B CB 1 ATOM 3678 C CG . LYS B 2 143 ? 15.841 -12.054 49.029 1.00 58.18 ? 143 LYS B CG 1 ATOM 3679 C CD . LYS B 2 143 ? 14.346 -12.237 48.979 1.00 61.71 ? 143 LYS B CD 1 ATOM 3680 C CE . LYS B 2 143 ? 13.906 -13.223 50.054 1.00 63.83 ? 143 LYS B CE 1 ATOM 3681 N NZ . LYS B 2 143 ? 14.391 -14.606 49.784 1.00 62.75 ? 143 LYS B NZ 1 ATOM 3682 N N . CYS B 2 144 ? 17.023 -10.687 44.841 1.00 55.62 ? 144 CYS B N 1 ATOM 3683 C CA . CYS B 2 144 ? 17.155 -9.865 43.645 1.00 55.62 ? 144 CYS B CA 1 ATOM 3684 C C . CYS B 2 144 ? 15.777 -9.550 43.069 1.00 57.50 ? 144 CYS B C 1 ATOM 3685 O O . CYS B 2 144 ? 15.174 -10.358 42.352 1.00 57.60 ? 144 CYS B O 1 ATOM 3686 C CB . CYS B 2 144 ? 18.076 -10.549 42.622 1.00 53.95 ? 144 CYS B CB 1 ATOM 3687 S SG . CYS B 2 144 ? 18.513 -9.566 41.153 1.00 54.40 ? 144 CYS B SG 1 ATOM 3688 N N . ASP B 2 145 ? 15.285 -8.364 43.413 1.00 59.49 ? 145 ASP B N 1 ATOM 3689 C CA . ASP B 2 145 ? 13.944 -7.931 43.044 1.00 62.05 ? 145 ASP B CA 1 ATOM 3690 C C . ASP B 2 145 ? 13.884 -7.581 41.559 1.00 62.31 ? 145 ASP B C 1 ATOM 3691 O O . ASP B 2 145 ? 14.863 -7.787 40.828 1.00 60.55 ? 145 ASP B O 1 ATOM 3692 C CB . ASP B 2 145 ? 13.480 -6.763 43.939 1.00 64.13 ? 145 ASP B CB 1 ATOM 3693 C CG . ASP B 2 145 ? 14.324 -5.490 43.765 1.00 64.55 ? 145 ASP B CG 1 ATOM 3694 O OD1 . ASP B 2 145 ? 14.944 -5.290 42.703 1.00 64.37 ? 145 ASP B OD1 1 ATOM 3695 O OD2 . ASP B 2 145 ? 14.354 -4.669 44.702 1.00 66.37 ? 145 ASP B OD2 1 ATOM 3696 N N . ASP B 2 146 ? 12.748 -7.054 41.114 1.00 64.64 ? 146 ASP B N 1 ATOM 3697 C CA . ASP B 2 146 ? 12.573 -6.737 39.702 1.00 65.47 ? 146 ASP B CA 1 ATOM 3698 C C . ASP B 2 146 ? 13.546 -5.692 39.189 1.00 65.10 ? 146 ASP B C 1 ATOM 3699 O O . ASP B 2 146 ? 14.042 -5.822 38.078 1.00 64.27 ? 146 ASP B O 1 ATOM 3700 C CB . ASP B 2 146 ? 11.127 -6.362 39.382 1.00 68.91 ? 146 ASP B CB 1 ATOM 3701 C CG . ASP B 2 146 ? 10.231 -7.581 39.222 1.00 69.38 ? 146 ASP B CG 1 ATOM 3702 O OD1 . ASP B 2 146 ? 10.741 -8.720 39.241 1.00 66.15 ? 146 ASP B OD1 1 ATOM 3703 O OD2 . ASP B 2 146 ? 9.005 -7.398 39.080 1.00 74.04 ? 146 ASP B OD2 1 ATOM 3704 N N . GLU B 2 147 ? 13.837 -4.676 39.996 1.00 66.16 ? 147 GLU B N 1 ATOM 3705 C CA . GLU B 2 147 ? 14.769 -3.622 39.582 1.00 66.82 ? 147 GLU B CA 1 ATOM 3706 C C . GLU B 2 147 ? 16.212 -4.115 39.582 1.00 63.72 ? 147 GLU B C 1 ATOM 3707 O O . GLU B 2 147 ? 17.043 -3.603 38.831 1.00 63.44 ? 147 GLU B O 1 ATOM 3708 C CB . GLU B 2 147 ? 14.633 -2.362 40.457 1.00 69.60 ? 147 GLU B CB 1 ATOM 3709 C CG . GLU B 2 147 ? 13.281 -1.620 40.359 1.00 74.64 ? 147 GLU B CG 1 ATOM 3710 C CD . GLU B 2 147 ? 12.820 -1.299 38.919 1.00 78.31 ? 147 GLU B CD 1 ATOM 3711 O OE1 . GLU B 2 147 ? 13.659 -1.114 38.001 1.00 77.87 ? 147 GLU B OE1 1 ATOM 3712 O OE2 . GLU B 2 147 ? 11.588 -1.222 38.711 1.00 81.95 ? 147 GLU B OE2 1 ATOM 3713 N N . CYS B 2 148 ? 16.494 -5.101 40.435 1.00 61.84 ? 148 CYS B N 1 ATOM 3714 C CA . CYS B 2 148 ? 17.792 -5.766 40.482 1.00 59.08 ? 148 CYS B CA 1 ATOM 3715 C C . CYS B 2 148 ? 17.982 -6.622 39.222 1.00 57.36 ? 148 CYS B C 1 ATOM 3716 O O . CYS B 2 148 ? 19.053 -6.595 38.605 1.00 56.42 ? 148 CYS B O 1 ATOM 3717 C CB . CYS B 2 148 ? 17.919 -6.608 41.759 1.00 57.82 ? 148 CYS B CB 1 ATOM 3718 S SG . CYS B 2 148 ? 19.320 -7.772 41.843 1.00 56.76 ? 148 CYS B SG 1 ATOM 3719 N N . MET B 2 149 ? 16.938 -7.364 38.843 1.00 56.93 ? 149 MET B N 1 ATOM 3720 C CA . MET B 2 149 ? 16.953 -8.170 37.616 1.00 55.56 ? 149 MET B CA 1 ATOM 3721 C C . MET B 2 149 ? 17.227 -7.312 36.376 1.00 55.65 ? 149 MET B C 1 ATOM 3722 O O . MET B 2 149 ? 18.022 -7.698 35.510 1.00 54.40 ? 149 MET B O 1 ATOM 3723 C CB . MET B 2 149 ? 15.650 -8.970 37.439 1.00 56.32 ? 149 MET B CB 1 ATOM 3724 C CG . MET B 2 149 ? 15.429 -10.103 38.450 1.00 56.22 ? 149 MET B CG 1 ATOM 3725 S SD . MET B 2 149 ? 16.667 -11.421 38.413 1.00 54.98 ? 149 MET B SD 1 ATOM 3726 C CE . MET B 2 149 ? 15.992 -12.583 39.599 1.00 53.47 ? 149 MET B CE 1 ATOM 3727 N N . ASN B 2 150 ? 16.589 -6.149 36.300 1.00 57.31 ? 150 ASN B N 1 ATOM 3728 C CA . ASN B 2 150 ? 16.783 -5.255 35.158 1.00 57.96 ? 150 ASN B CA 1 ATOM 3729 C C . ASN B 2 150 ? 18.192 -4.657 35.077 1.00 56.91 ? 150 ASN B C 1 ATOM 3730 O O . ASN B 2 150 ? 18.662 -4.353 33.989 1.00 56.68 ? 150 ASN B O 1 ATOM 3731 C CB . ASN B 2 150 ? 15.711 -4.157 35.114 1.00 61.39 ? 150 ASN B CB 1 ATOM 3732 C CG . ASN B 2 150 ? 14.289 -4.711 35.035 1.00 62.27 ? 150 ASN B CG 1 ATOM 3733 O OD1 . ASN B 2 150 ? 14.062 -5.834 34.580 1.00 60.31 ? 150 ASN B OD1 1 ATOM 3734 N ND2 . ASN B 2 150 ? 13.325 -3.914 35.485 1.00 64.80 ? 150 ASN B ND2 1 ATOM 3735 N N . SER B 2 151 ? 18.857 -4.480 36.218 1.00 56.47 ? 151 SER B N 1 ATOM 3736 C CA . SER B 2 151 ? 20.273 -4.077 36.219 1.00 55.84 ? 151 SER B CA 1 ATOM 3737 C C . SER B 2 151 ? 21.176 -5.182 35.666 1.00 53.39 ? 151 SER B C 1 ATOM 3738 O O . SER B 2 151 ? 22.162 -4.898 34.980 1.00 53.21 ? 151 SER B O 1 ATOM 3739 C CB . SER B 2 151 ? 20.751 -3.621 37.613 1.00 56.30 ? 151 SER B CB 1 ATOM 3740 O OG . SER B 2 151 ? 20.925 -4.708 38.509 1.00 54.01 ? 151 SER B OG 1 ATOM 3741 N N . VAL B 2 152 ? 20.836 -6.437 35.955 1.00 52.01 ? 152 VAL B N 1 ATOM 3742 C CA . VAL B 2 152 ? 21.548 -7.579 35.362 1.00 50.46 ? 152 VAL B CA 1 ATOM 3743 C C . VAL B 2 152 ? 21.362 -7.568 33.834 1.00 51.18 ? 152 VAL B C 1 ATOM 3744 O O . VAL B 2 152 ? 22.347 -7.583 33.071 1.00 50.69 ? 152 VAL B O 1 ATOM 3745 C CB . VAL B 2 152 ? 21.102 -8.948 35.976 1.00 49.28 ? 152 VAL B CB 1 ATOM 3746 C CG1 . VAL B 2 152 ? 21.852 -10.122 35.327 1.00 46.94 ? 152 VAL B CG1 1 ATOM 3747 C CG2 . VAL B 2 152 ? 21.289 -8.955 37.501 1.00 48.59 ? 152 VAL B CG2 1 ATOM 3748 N N . LYS B 2 153 ? 20.102 -7.501 33.405 1.00 52.79 ? 153 LYS B N 1 ATOM 3749 C CA . LYS B 2 153 ? 19.727 -7.513 31.981 1.00 53.90 ? 153 LYS B CA 1 ATOM 3750 C C . LYS B 2 153 ? 20.291 -6.374 31.127 1.00 55.64 ? 153 LYS B C 1 ATOM 3751 O O . LYS B 2 153 ? 20.606 -6.582 29.958 1.00 54.92 ? 153 LYS B O 1 ATOM 3752 C CB . LYS B 2 153 ? 18.209 -7.536 31.831 1.00 55.28 ? 153 LYS B CB 1 ATOM 3753 C CG . LYS B 2 153 ? 17.528 -8.765 32.389 1.00 54.45 ? 153 LYS B CG 1 ATOM 3754 C CD . LYS B 2 153 ? 16.094 -8.430 32.692 1.00 57.16 ? 153 LYS B CD 1 ATOM 3755 C CE . LYS B 2 153 ? 15.185 -9.620 32.507 1.00 57.93 ? 153 LYS B CE 1 ATOM 3756 N NZ . LYS B 2 153 ? 13.744 -9.210 32.572 1.00 58.40 ? 153 LYS B NZ 1 ATOM 3757 N N . ASN B 2 154 ? 20.394 -5.172 31.695 1.00 58.62 ? 154 ASN B N 1 ATOM 3758 C CA . ASN B 2 154 ? 20.950 -4.032 30.948 1.00 61.71 ? 154 ASN B CA 1 ATOM 3759 C C . ASN B 2 154 ? 22.431 -3.741 31.270 1.00 61.09 ? 154 ASN B C 1 ATOM 3760 O O . ASN B 2 154 ? 22.977 -2.709 30.855 1.00 62.97 ? 154 ASN B O 1 ATOM 3761 C CB . ASN B 2 154 ? 20.029 -2.780 31.005 1.00 65.52 ? 154 ASN B CB 1 ATOM 3762 C CG . ASN B 2 154 ? 20.220 -1.939 32.260 1.00 71.13 ? 154 ASN B CG 1 ATOM 3763 O OD1 . ASN B 2 154 ? 20.923 -2.336 33.190 1.00 71.16 ? 154 ASN B OD1 1 ATOM 3764 N ND2 . ASN B 2 154 ? 19.593 -0.744 32.274 1.00 81.23 ? 154 ASN B ND2 1 ATOM 3765 N N . GLY B 2 155 ? 23.059 -4.659 32.013 1.00 58.68 ? 155 GLY B N 1 ATOM 3766 C CA . GLY B 2 155 ? 24.516 -4.683 32.191 1.00 57.78 ? 155 GLY B CA 1 ATOM 3767 C C . GLY B 2 155 ? 25.094 -3.761 33.251 1.00 59.09 ? 155 GLY B C 1 ATOM 3768 O O . GLY B 2 155 ? 26.284 -3.445 33.228 1.00 59.56 ? 155 GLY B O 1 ATOM 3769 N N . THR B 2 156 ? 24.256 -3.331 34.185 1.00 59.64 ? 156 THR B N 1 ATOM 3770 C CA . THR B 2 156 ? 24.696 -2.442 35.251 1.00 61.20 ? 156 THR B CA 1 ATOM 3771 C C . THR B 2 156 ? 24.423 -3.051 36.622 1.00 59.75 ? 156 THR B C 1 ATOM 3772 O O . THR B 2 156 ? 23.980 -2.352 37.536 1.00 61.35 ? 156 THR B O 1 ATOM 3773 C CB . THR B 2 156 ? 24.005 -1.054 35.172 1.00 64.25 ? 156 THR B CB 1 ATOM 3774 O OG1 . THR B 2 156 ? 22.634 -1.181 35.568 1.00 64.32 ? 156 THR B OG1 1 ATOM 3775 C CG2 . THR B 2 156 ? 24.091 -0.470 33.755 1.00 65.61 ? 156 THR B CG2 1 ATOM 3776 N N . TYR B 2 157 ? 24.674 -4.350 36.766 1.00 56.87 ? 157 TYR B N 1 ATOM 3777 C CA . TYR B 2 157 ? 24.569 -4.991 38.074 1.00 55.38 ? 157 TYR B CA 1 ATOM 3778 C C . TYR B 2 157 ? 25.681 -4.467 38.987 1.00 56.73 ? 157 TYR B C 1 ATOM 3779 O O . TYR B 2 157 ? 26.841 -4.334 38.574 1.00 57.21 ? 157 TYR B O 1 ATOM 3780 C CB . TYR B 2 157 ? 24.606 -6.524 37.962 1.00 52.14 ? 157 TYR B CB 1 ATOM 3781 C CG . TYR B 2 157 ? 24.668 -7.272 39.289 1.00 50.15 ? 157 TYR B CG 1 ATOM 3782 C CD1 . TYR B 2 157 ? 23.518 -7.495 40.044 1.00 48.16 ? 157 TYR B CD1 1 ATOM 3783 C CD2 . TYR B 2 157 ? 25.880 -7.763 39.778 1.00 49.60 ? 157 TYR B CD2 1 ATOM 3784 C CE1 . TYR B 2 157 ? 23.569 -8.190 41.252 1.00 48.23 ? 157 TYR B CE1 1 ATOM 3785 C CE2 . TYR B 2 157 ? 25.943 -8.455 40.995 1.00 48.80 ? 157 TYR B CE2 1 ATOM 3786 C CZ . TYR B 2 157 ? 24.784 -8.661 41.725 1.00 48.08 ? 157 TYR B CZ 1 ATOM 3787 O OH . TYR B 2 157 ? 24.840 -9.343 42.914 1.00 47.04 ? 157 TYR B OH 1 ATOM 3788 N N . ASP B 2 158 ? 25.301 -4.169 40.221 1.00 57.54 ? 158 ASP B N 1 ATOM 3789 C CA . ASP B 2 158 ? 26.186 -3.551 41.190 1.00 59.36 ? 158 ASP B CA 1 ATOM 3790 C C . ASP B 2 158 ? 26.709 -4.622 42.142 1.00 57.84 ? 158 ASP B C 1 ATOM 3791 O O . ASP B 2 158 ? 26.068 -4.928 43.142 1.00 57.30 ? 158 ASP B O 1 ATOM 3792 C CB . ASP B 2 158 ? 25.406 -2.484 41.951 1.00 61.24 ? 158 ASP B CB 1 ATOM 3793 C CG . ASP B 2 158 ? 26.292 -1.389 42.514 1.00 64.39 ? 158 ASP B CG 1 ATOM 3794 O OD1 . ASP B 2 158 ? 27.450 -1.665 42.905 1.00 65.21 ? 158 ASP B OD1 1 ATOM 3795 O OD2 . ASP B 2 158 ? 25.810 -0.242 42.586 1.00 67.81 ? 158 ASP B OD2 1 ATOM 3796 N N . TYR B 2 159 ? 27.859 -5.207 41.802 1.00 57.63 ? 159 TYR B N 1 ATOM 3797 C CA . TYR B 2 159 ? 28.457 -6.281 42.611 1.00 56.72 ? 159 TYR B CA 1 ATOM 3798 C C . TYR B 2 159 ? 28.874 -5.818 44.020 1.00 58.15 ? 159 TYR B C 1 ATOM 3799 O O . TYR B 2 159 ? 28.539 -6.486 45.011 1.00 56.99 ? 159 TYR B O 1 ATOM 3800 C CB . TYR B 2 159 ? 29.640 -6.943 41.881 1.00 56.47 ? 159 TYR B CB 1 ATOM 3801 C CG . TYR B 2 159 ? 30.460 -7.865 42.757 1.00 56.09 ? 159 TYR B CG 1 ATOM 3802 C CD1 . TYR B 2 159 ? 30.100 -9.199 42.913 1.00 55.18 ? 159 TYR B CD1 1 ATOM 3803 C CD2 . TYR B 2 159 ? 31.593 -7.402 43.439 1.00 58.17 ? 159 TYR B CD2 1 ATOM 3804 C CE1 . TYR B 2 159 ? 30.839 -10.059 43.722 1.00 55.59 ? 159 TYR B CE1 1 ATOM 3805 C CE2 . TYR B 2 159 ? 32.344 -8.252 44.258 1.00 58.64 ? 159 TYR B CE2 1 ATOM 3806 C CZ . TYR B 2 159 ? 31.958 -9.583 44.394 1.00 57.95 ? 159 TYR B CZ 1 ATOM 3807 O OH . TYR B 2 159 ? 32.679 -10.452 45.191 1.00 57.96 ? 159 TYR B OH 1 ATOM 3808 N N . PRO B 2 160 ? 29.627 -4.694 44.116 1.00 60.64 ? 160 PRO B N 1 ATOM 3809 C CA . PRO B 2 160 ? 30.009 -4.198 45.442 1.00 62.20 ? 160 PRO B CA 1 ATOM 3810 C C . PRO B 2 160 ? 28.815 -3.927 46.348 1.00 62.07 ? 160 PRO B C 1 ATOM 3811 O O . PRO B 2 160 ? 28.937 -4.069 47.558 1.00 62.25 ? 160 PRO B O 1 ATOM 3812 C CB . PRO B 2 160 ? 30.752 -2.897 45.129 1.00 64.92 ? 160 PRO B CB 1 ATOM 3813 C CG . PRO B 2 160 ? 31.300 -3.102 43.767 1.00 65.00 ? 160 PRO B CG 1 ATOM 3814 C CD . PRO B 2 160 ? 30.209 -3.853 43.047 1.00 62.59 ? 160 PRO B CD 1 ATOM 3815 N N . LYS B 2 161 ? 27.678 -3.561 45.754 1.00 62.29 ? 161 LYS B N 1 ATOM 3816 C CA . LYS B 2 161 ? 26.429 -3.282 46.479 1.00 62.66 ? 161 LYS B CA 1 ATOM 3817 C C . LYS B 2 161 ? 25.874 -4.509 47.206 1.00 60.83 ? 161 LYS B C 1 ATOM 3818 O O . LYS B 2 161 ? 25.246 -4.389 48.265 1.00 61.25 ? 161 LYS B O 1 ATOM 3819 C CB . LYS B 2 161 ? 25.375 -2.737 45.507 1.00 63.15 ? 161 LYS B CB 1 ATOM 3820 C CG . LYS B 2 161 ? 24.001 -2.438 46.112 1.00 63.80 ? 161 LYS B CG 1 ATOM 3821 C CD . LYS B 2 161 ? 23.022 -1.938 45.034 1.00 64.97 ? 161 LYS B CD 1 ATOM 3822 C CE . LYS B 2 161 ? 21.716 -1.411 45.640 1.00 67.63 ? 161 LYS B CE 1 ATOM 3823 N NZ . LYS B 2 161 ? 21.128 -2.327 46.677 1.00 66.78 ? 161 LYS B NZ 1 ATOM 3824 N N . TYR B 2 162 ? 26.111 -5.689 46.638 1.00 59.22 ? 162 TYR B N 1 ATOM 3825 C CA . TYR B 2 162 ? 25.548 -6.923 47.186 1.00 57.66 ? 162 TYR B CA 1 ATOM 3826 C C . TYR B 2 162 ? 26.592 -7.863 47.779 1.00 56.85 ? 162 TYR B C 1 ATOM 3827 O O . TYR B 2 162 ? 26.247 -8.882 48.361 1.00 56.03 ? 162 TYR B O 1 ATOM 3828 C CB . TYR B 2 162 ? 24.733 -7.637 46.112 1.00 56.89 ? 162 TYR B CB 1 ATOM 3829 C CG . TYR B 2 162 ? 23.486 -6.883 45.699 1.00 57.98 ? 162 TYR B CG 1 ATOM 3830 C CD1 . TYR B 2 162 ? 22.307 -6.980 46.449 1.00 58.31 ? 162 TYR B CD1 1 ATOM 3831 C CD2 . TYR B 2 162 ? 23.487 -6.068 44.573 1.00 59.11 ? 162 TYR B CD2 1 ATOM 3832 C CE1 . TYR B 2 162 ? 21.156 -6.296 46.074 1.00 59.47 ? 162 TYR B CE1 1 ATOM 3833 C CE2 . TYR B 2 162 ? 22.340 -5.375 44.186 1.00 60.88 ? 162 TYR B CE2 1 ATOM 3834 C CZ . TYR B 2 162 ? 21.178 -5.494 44.943 1.00 60.59 ? 162 TYR B CZ 1 ATOM 3835 O OH . TYR B 2 162 ? 20.040 -4.811 44.560 1.00 62.76 ? 162 TYR B OH 1 ATOM 3836 N N . GLU B 2 163 ? 27.860 -7.495 47.634 1.00 57.68 ? 163 GLU B N 1 ATOM 3837 C CA . GLU B 2 163 ? 28.996 -8.305 48.066 1.00 58.12 ? 163 GLU B CA 1 ATOM 3838 C C . GLU B 2 163 ? 28.836 -8.873 49.472 1.00 58.01 ? 163 GLU B C 1 ATOM 3839 O O . GLU B 2 163 ? 28.893 -10.091 49.673 1.00 56.73 ? 163 GLU B O 1 ATOM 3840 C CB . GLU B 2 163 ? 30.280 -7.481 47.966 1.00 59.93 ? 163 GLU B CB 1 ATOM 3841 C CG . GLU B 2 163 ? 31.548 -8.245 48.298 1.00 61.60 ? 163 GLU B CG 1 ATOM 3842 C CD . GLU B 2 163 ? 32.801 -7.528 47.830 1.00 64.90 ? 163 GLU B CD 1 ATOM 3843 O OE1 . GLU B 2 163 ? 32.702 -6.377 47.338 1.00 65.29 ? 163 GLU B OE1 1 ATOM 3844 O OE2 . GLU B 2 163 ? 33.892 -8.126 47.951 1.00 66.93 ? 163 GLU B OE2 1 ATOM 3845 N N . GLU B 2 164 ? 28.612 -7.977 50.429 1.00 59.56 ? 164 GLU B N 1 ATOM 3846 C CA . GLU B 2 164 ? 28.573 -8.331 51.848 1.00 60.55 ? 164 GLU B CA 1 ATOM 3847 C C . GLU B 2 164 ? 27.368 -9.209 52.219 1.00 59.00 ? 164 GLU B C 1 ATOM 3848 O O . GLU B 2 164 ? 27.522 -10.208 52.925 1.00 58.52 ? 164 GLU B O 1 ATOM 3849 C CB . GLU B 2 164 ? 28.664 -7.062 52.712 1.00 62.25 ? 164 GLU B CB 1 ATOM 3850 C CG . GLU B 2 164 ? 29.977 -6.276 52.495 1.00 65.16 ? 164 GLU B CG 1 ATOM 3851 C CD . GLU B 2 164 ? 29.914 -4.829 52.988 1.00 67.08 ? 164 GLU B CD 1 ATOM 3852 O OE1 . GLU B 2 164 ? 30.067 -4.594 54.218 1.00 69.54 ? 164 GLU B OE1 1 ATOM 3853 O OE2 . GLU B 2 164 ? 29.729 -3.929 52.137 1.00 68.46 ? 164 GLU B OE2 1 ATOM 3854 N N . GLU B 2 165 ? 26.185 -8.853 51.723 1.00 58.67 ? 165 GLU B N 1 ATOM 3855 C CA . GLU B 2 165 ? 24.998 -9.686 51.910 1.00 58.29 ? 165 GLU B CA 1 ATOM 3856 C C . GLU B 2 165 ? 25.178 -11.091 51.321 1.00 57.67 ? 165 GLU B C 1 ATOM 3857 O O . GLU B 2 165 ? 24.842 -12.067 51.986 1.00 57.84 ? 165 GLU B O 1 ATOM 3858 C CB . GLU B 2 165 ? 23.761 -9.017 51.314 1.00 58.30 ? 165 GLU B CB 1 ATOM 3859 C CG . GLU B 2 165 ? 22.508 -9.889 51.347 1.00 58.01 ? 165 GLU B CG 1 ATOM 3860 C CD . GLU B 2 165 ? 21.286 -9.223 50.714 1.00 60.06 ? 165 GLU B CD 1 ATOM 3861 O OE1 . GLU B 2 165 ? 21.393 -8.084 50.168 1.00 60.43 ? 165 GLU B OE1 1 ATOM 3862 O OE2 . GLU B 2 165 ? 20.204 -9.862 50.764 1.00 62.89 ? 165 GLU B OE2 1 ATOM 3863 N N . SER B 2 166 ? 25.708 -11.186 50.095 1.00 56.98 ? 166 SER B N 1 ATOM 3864 C CA . SER B 2 166 ? 25.914 -12.481 49.423 1.00 56.83 ? 166 SER B CA 1 ATOM 3865 C C . SER B 2 166 ? 26.902 -13.356 50.189 1.00 57.62 ? 166 SER B C 1 ATOM 3866 O O . SER B 2 166 ? 26.625 -14.524 50.461 1.00 56.91 ? 166 SER B O 1 ATOM 3867 C CB . SER B 2 166 ? 26.408 -12.291 47.977 1.00 56.33 ? 166 SER B CB 1 ATOM 3868 O OG . SER B 2 166 ? 25.425 -11.702 47.146 1.00 55.32 ? 166 SER B OG 1 ATOM 3869 N N . LYS B 2 167 ? 28.046 -12.755 50.519 1.00 59.40 ? 167 LYS B N 1 ATOM 3870 C CA . LYS B 2 167 ? 29.121 -13.353 51.318 1.00 61.57 ? 167 LYS B CA 1 ATOM 3871 C C . LYS B 2 167 ? 28.613 -14.037 52.584 1.00 62.19 ? 167 LYS B C 1 ATOM 3872 O O . LYS B 2 167 ? 29.002 -15.164 52.882 1.00 62.86 ? 167 LYS B O 1 ATOM 3873 C CB . LYS B 2 167 ? 30.118 -12.260 51.714 1.00 63.11 ? 167 LYS B CB 1 ATOM 3874 C CG . LYS B 2 167 ? 31.505 -12.740 52.127 1.00 65.85 ? 167 LYS B CG 1 ATOM 3875 C CD . LYS B 2 167 ? 32.551 -12.413 51.055 1.00 67.95 ? 167 LYS B CD 1 ATOM 3876 C CE . LYS B 2 167 ? 32.768 -10.902 50.884 1.00 68.68 ? 167 LYS B CE 1 ATOM 3877 N NZ . LYS B 2 167 ? 32.967 -10.186 52.176 1.00 69.92 ? 167 LYS B NZ 1 ATOM 3878 N N . LEU B 2 168 ? 27.754 -13.346 53.330 1.00 62.62 ? 168 LEU B N 1 ATOM 3879 C CA . LEU B 2 168 ? 27.171 -13.900 54.551 1.00 63.44 ? 168 LEU B CA 1 ATOM 3880 C C . LEU B 2 168 ? 26.285 -15.125 54.269 1.00 63.43 ? 168 LEU B C 1 ATOM 3881 O O . LEU B 2 168 ? 26.493 -16.181 54.875 1.00 64.42 ? 168 LEU B O 1 ATOM 3882 C CB . LEU B 2 168 ? 26.414 -12.819 55.340 1.00 63.66 ? 168 LEU B CB 1 ATOM 3883 C CG . LEU B 2 168 ? 27.212 -11.666 55.979 1.00 65.03 ? 168 LEU B CG 1 ATOM 3884 C CD1 . LEU B 2 168 ? 26.309 -10.473 56.307 1.00 64.98 ? 168 LEU B CD1 1 ATOM 3885 C CD2 . LEU B 2 168 ? 27.961 -12.127 57.232 1.00 66.10 ? 168 LEU B CD2 1 ATOM 3886 N N . ASN B 2 169 ? 25.328 -14.988 53.343 1.00 62.76 ? 169 ASN B N 1 ATOM 3887 C CA . ASN B 2 169 ? 24.424 -16.092 52.936 1.00 63.02 ? 169 ASN B CA 1 ATOM 3888 C C . ASN B 2 169 ? 25.127 -17.343 52.403 1.00 63.48 ? 169 ASN B C 1 ATOM 3889 O O . ASN B 2 169 ? 24.662 -18.464 52.605 1.00 64.09 ? 169 ASN B O 1 ATOM 3890 C CB . ASN B 2 169 ? 23.437 -15.619 51.867 1.00 62.25 ? 169 ASN B CB 1 ATOM 3891 C CG . ASN B 2 169 ? 22.392 -14.669 52.409 1.00 63.09 ? 169 ASN B CG 1 ATOM 3892 O OD1 . ASN B 2 169 ? 21.617 -15.024 53.299 1.00 65.32 ? 169 ASN B OD1 1 ATOM 3893 N ND2 . ASN B 2 169 ? 22.351 -13.456 51.862 1.00 61.19 ? 169 ASN B ND2 1 ATOM 3894 N N . ARG B 2 170 ? 26.237 -17.132 51.707 1.00 63.53 ? 170 ARG B N 1 ATOM 3895 C CA . ARG B 2 170 ? 26.964 -18.203 51.056 1.00 64.43 ? 170 ARG B CA 1 ATOM 3896 C C . ARG B 2 170 ? 27.750 -19.003 52.077 1.00 66.98 ? 170 ARG B C 1 ATOM 3897 O O . ARG B 2 170 ? 28.006 -20.189 51.877 1.00 68.10 ? 170 ARG B O 1 ATOM 3898 C CB . ARG B 2 170 ? 27.901 -17.622 49.992 1.00 63.95 ? 170 ARG B CB 1 ATOM 3899 C CG . ARG B 2 170 ? 28.603 -18.654 49.125 1.00 63.70 ? 170 ARG B CG 1 ATOM 3900 C CD . ARG B 2 170 ? 29.490 -18.011 48.085 1.00 62.98 ? 170 ARG B CD 1 ATOM 3901 N NE . ARG B 2 170 ? 30.528 -17.171 48.673 1.00 61.98 ? 170 ARG B NE 1 ATOM 3902 C CZ . ARG B 2 170 ? 30.570 -15.844 48.576 1.00 60.94 ? 170 ARG B CZ 1 ATOM 3903 N NH1 . ARG B 2 170 ? 29.632 -15.192 47.904 1.00 59.54 ? 170 ARG B NH1 1 ATOM 3904 N NH2 . ARG B 2 170 ? 31.555 -15.167 49.147 1.00 61.35 ? 170 ARG B NH2 1 ATOM 3905 N N . ASN B 2 171 ? 28.124 -18.341 53.169 1.00 68.55 ? 171 ASN B N 1 ATOM 3906 C CA . ASN B 2 171 ? 28.946 -18.940 54.220 1.00 71.57 ? 171 ASN B CA 1 ATOM 3907 C C . ASN B 2 171 ? 28.187 -19.793 55.236 1.00 73.35 ? 171 ASN B C 1 ATOM 3908 O O . ASN B 2 171 ? 28.641 -20.881 55.588 1.00 75.54 ? 171 ASN B O 1 ATOM 3909 C CB . ASN B 2 171 ? 29.733 -17.852 54.958 1.00 71.86 ? 171 ASN B CB 1 ATOM 3910 C CG . ASN B 2 171 ? 30.814 -17.221 54.098 1.00 72.30 ? 171 ASN B CG 1 ATOM 3911 O OD1 . ASN B 2 171 ? 31.252 -17.794 53.097 1.00 72.86 ? 171 ASN B OD1 1 ATOM 3912 N ND2 . ASN B 2 171 ? 31.253 -16.026 54.490 1.00 72.87 ? 171 ASN B ND2 1 ATOM 3913 N N . GLU B 2 172 ? 27.045 -19.294 55.710 1.00 73.49 ? 172 GLU B N 1 ATOM 3914 C CA . GLU B 2 172 ? 26.309 -19.921 56.823 1.00 75.48 ? 172 GLU B CA 1 ATOM 3915 C C . GLU B 2 172 ? 25.576 -21.205 56.422 1.00 76.44 ? 172 GLU B C 1 ATOM 3916 O O . GLU B 2 172 ? 25.781 -21.745 55.331 1.00 76.89 ? 172 GLU B O 1 ATOM 3917 C CB . GLU B 2 172 ? 25.325 -18.925 57.451 1.00 74.37 ? 172 GLU B CB 1 ATOM 3918 C CG . GLU B 2 172 ? 24.433 -18.213 56.427 1.00 73.89 ? 172 GLU B CG 1 ATOM 3919 C CD . GLU B 2 172 ? 23.251 -17.466 57.045 1.00 74.12 ? 172 GLU B CD 1 ATOM 3920 O OE1 . GLU B 2 172 ? 23.459 -16.617 57.950 1.00 75.00 ? 172 GLU B OE1 1 ATOM 3921 O OE2 . GLU B 2 172 ? 22.108 -17.719 56.597 1.00 76.16 ? 172 GLU B OE2 1 HETATM 3922 C C1 . NAG C 3 . ? 26.905 8.694 -51.432 1.00 47.63 ? 330 NAG A C1 1 HETATM 3923 C C2 . NAG C 3 . ? 28.120 9.232 -52.215 1.00 52.01 ? 330 NAG A C2 1 HETATM 3924 C C3 . NAG C 3 . ? 28.933 10.209 -51.364 1.00 55.79 ? 330 NAG A C3 1 HETATM 3925 C C4 . NAG C 3 . ? 27.953 11.309 -50.945 1.00 58.33 ? 330 NAG A C4 1 HETATM 3926 C C5 . NAG C 3 . ? 26.897 10.679 -50.015 1.00 55.20 ? 330 NAG A C5 1 HETATM 3927 C C6 . NAG C 3 . ? 25.929 11.676 -49.362 1.00 56.25 ? 330 NAG A C6 1 HETATM 3928 C C7 . NAG C 3 . ? 29.257 8.125 -54.081 1.00 49.99 ? 330 NAG A C7 1 HETATM 3929 C C8 . NAG C 3 . ? 30.210 7.051 -54.526 1.00 49.70 ? 330 NAG A C8 1 HETATM 3930 N N2 . NAG C 3 . ? 28.982 8.196 -52.768 1.00 49.44 ? 330 NAG A N2 1 HETATM 3931 O O3 . NAG C 3 . ? 29.996 10.748 -52.120 1.00 57.87 ? 330 NAG A O3 1 HETATM 3932 O O4 . NAG C 3 . ? 28.539 12.571 -50.591 1.00 64.44 ? 330 NAG A O4 1 HETATM 3933 O O5 . NAG C 3 . ? 26.169 9.759 -50.823 1.00 50.93 ? 330 NAG A O5 1 HETATM 3934 O O6 . NAG C 3 . ? 25.251 12.479 -50.318 1.00 56.45 ? 330 NAG A O6 1 HETATM 3935 O O7 . NAG C 3 . ? 28.769 8.874 -54.931 1.00 50.23 ? 330 NAG A O7 1 HETATM 3936 C C1 . NAG D 3 . ? 29.454 12.703 -49.472 1.00 69.72 ? 331 NAG A C1 1 HETATM 3937 C C2 . NAG D 3 . ? 28.888 13.828 -48.570 1.00 72.15 ? 331 NAG A C2 1 HETATM 3938 C C3 . NAG D 3 . ? 28.760 13.510 -47.065 1.00 72.54 ? 331 NAG A C3 1 HETATM 3939 C C4 . NAG D 3 . ? 29.284 12.144 -46.614 1.00 72.17 ? 331 NAG A C4 1 HETATM 3940 C C5 . NAG D 3 . ? 30.384 11.627 -47.547 1.00 72.32 ? 331 NAG A C5 1 HETATM 3941 C C6 . NAG D 3 . ? 30.957 10.263 -47.161 1.00 72.53 ? 331 NAG A C6 1 HETATM 3942 C C7 . NAG D 3 . ? 29.313 16.097 -49.519 1.00 75.61 ? 331 NAG A C7 1 HETATM 3943 C C8 . NAG D 3 . ? 30.278 17.251 -49.565 1.00 76.18 ? 331 NAG A C8 1 HETATM 3944 N N2 . NAG D 3 . ? 29.673 15.052 -48.759 1.00 74.63 ? 331 NAG A N2 1 HETATM 3945 O O3 . NAG D 3 . ? 27.413 13.666 -46.649 1.00 73.18 ? 331 NAG A O3 1 HETATM 3946 O O4 . NAG D 3 . ? 29.746 12.248 -45.285 1.00 72.70 ? 331 NAG A O4 1 HETATM 3947 O O5 . NAG D 3 . ? 29.805 11.485 -48.826 1.00 71.40 ? 331 NAG A O5 1 HETATM 3948 O O6 . NAG D 3 . ? 31.516 10.263 -45.866 1.00 73.27 ? 331 NAG A O6 1 HETATM 3949 O O7 . NAG D 3 . ? 28.261 16.157 -50.158 1.00 76.37 ? 331 NAG A O7 1 HETATM 3950 C C1 . NAG E 3 . ? 14.883 -34.320 7.693 1.00 63.70 ? 332 NAG A C1 1 HETATM 3951 C C2 . NAG E 3 . ? 14.311 -35.434 6.789 1.00 68.92 ? 332 NAG A C2 1 HETATM 3952 C C3 . NAG E 3 . ? 13.051 -36.163 7.295 1.00 69.90 ? 332 NAG A C3 1 HETATM 3953 C C4 . NAG E 3 . ? 12.785 -36.082 8.805 1.00 70.24 ? 332 NAG A C4 1 HETATM 3954 C C5 . NAG E 3 . ? 13.186 -34.696 9.328 1.00 69.23 ? 332 NAG A C5 1 HETATM 3955 C C6 . NAG E 3 . ? 12.923 -34.504 10.820 1.00 69.63 ? 332 NAG A C6 1 HETATM 3956 C C7 . NAG E 3 . ? 14.642 -35.160 4.363 1.00 71.81 ? 332 NAG A C7 1 HETATM 3957 C C8 . NAG E 3 . ? 13.957 -34.749 3.085 1.00 72.32 ? 332 NAG A C8 1 HETATM 3958 N N2 . NAG E 3 . ? 13.983 -34.869 5.487 1.00 70.45 ? 332 NAG A N2 1 HETATM 3959 O O3 . NAG E 3 . ? 13.129 -37.517 6.899 1.00 71.04 ? 332 NAG A O3 1 HETATM 3960 O O4 . NAG E 3 . ? 11.419 -36.370 9.067 1.00 71.55 ? 332 NAG A O4 1 HETATM 3961 O O5 . NAG E 3 . ? 14.571 -34.522 9.065 1.00 67.15 ? 332 NAG A O5 1 HETATM 3962 O O6 . NAG E 3 . ? 13.555 -33.320 11.266 1.00 68.88 ? 332 NAG A O6 1 HETATM 3963 O O7 . NAG E 3 . ? 15.742 -35.726 4.339 1.00 72.12 ? 332 NAG A O7 1 HETATM 3964 C C1 . EDO F 4 . ? 17.946 -0.994 -60.706 1.00 40.95 ? 1 EDO A C1 1 HETATM 3965 O O1 . EDO F 4 . ? 18.330 0.273 -61.222 1.00 42.14 ? 1 EDO A O1 1 HETATM 3966 C C2 . EDO F 4 . ? 16.441 -1.010 -60.531 1.00 40.21 ? 1 EDO A C2 1 HETATM 3967 O O2 . EDO F 4 . ? 16.166 -0.271 -59.350 1.00 39.14 ? 1 EDO A O2 1 HETATM 3968 C C1 . NAG G 3 . ? 19.424 -0.119 33.580 1.00 97.34 ? 175 NAG B C1 1 HETATM 3969 C C2 . NAG G 3 . ? 19.308 1.405 33.316 1.00 102.15 ? 175 NAG B C2 1 HETATM 3970 C C3 . NAG G 3 . ? 18.588 2.215 34.414 1.00 104.45 ? 175 NAG B C3 1 HETATM 3971 C C4 . NAG G 3 . ? 17.432 1.454 35.068 1.00 104.30 ? 175 NAG B C4 1 HETATM 3972 C C5 . NAG G 3 . ? 17.927 0.055 35.454 1.00 103.27 ? 175 NAG B C5 1 HETATM 3973 C C6 . NAG G 3 . ? 16.899 -0.762 36.242 1.00 104.21 ? 175 NAG B C6 1 HETATM 3974 C C7 . NAG G 3 . ? 21.258 2.021 31.938 1.00 102.95 ? 175 NAG B C7 1 HETATM 3975 C C8 . NAG G 3 . ? 22.704 2.444 31.955 1.00 103.75 ? 175 NAG B C8 1 HETATM 3976 N N2 . NAG G 3 . ? 20.632 1.991 33.120 1.00 102.91 ? 175 NAG B N2 1 HETATM 3977 O O3 . NAG G 3 . ? 18.127 3.462 33.913 1.00 105.60 ? 175 NAG B O3 1 HETATM 3978 O O4 . NAG G 3 . ? 16.954 2.169 36.193 1.00 105.88 ? 175 NAG B O4 1 HETATM 3979 O O5 . NAG G 3 . ? 18.297 -0.646 34.276 1.00 99.85 ? 175 NAG B O5 1 HETATM 3980 O O6 . NAG G 3 . ? 15.625 -0.705 35.629 1.00 105.21 ? 175 NAG B O6 1 HETATM 3981 O O7 . NAG G 3 . ? 20.710 1.721 30.873 1.00 101.71 ? 175 NAG B O7 1 HETATM 3982 C C1 . PEG H 5 . ? 16.198 -25.912 32.179 1.00 79.80 ? 176 PEG B C1 1 HETATM 3983 O O1 . PEG H 5 . ? 15.810 -26.951 33.086 1.00 81.07 ? 176 PEG B O1 1 HETATM 3984 C C2 . PEG H 5 . ? 16.475 -24.626 32.952 1.00 79.01 ? 176 PEG B C2 1 HETATM 3985 O O2 . PEG H 5 . ? 16.211 -23.479 32.140 1.00 77.47 ? 176 PEG B O2 1 HETATM 3986 C C3 . PEG H 5 . ? 14.851 -23.063 32.213 1.00 75.93 ? 176 PEG B C3 1 HETATM 3987 C C4 . PEG H 5 . ? 14.792 -21.561 32.432 1.00 75.15 ? 176 PEG B C4 1 HETATM 3988 O O4 . PEG H 5 . ? 13.426 -21.128 32.427 1.00 74.63 ? 176 PEG B O4 1 HETATM 3989 O O . HOH I 6 . ? 8.709 -19.496 -36.408 1.00 24.16 ? 2 HOH A O 1 HETATM 3990 O O . HOH I 6 . ? 31.672 -16.320 -35.945 1.00 19.25 ? 3 HOH A O 1 HETATM 3991 O O . HOH I 6 . ? 15.213 -4.563 -57.619 1.00 28.91 ? 4 HOH A O 1 HETATM 3992 O O . HOH I 6 . ? 7.061 -6.561 -33.988 1.00 20.86 ? 5 HOH A O 1 HETATM 3993 O O . HOH I 6 . ? 26.825 -17.694 -40.007 1.00 18.21 ? 6 HOH A O 1 HETATM 3994 O O . HOH I 6 . ? 23.290 -17.125 -34.172 1.00 18.02 ? 7 HOH A O 1 HETATM 3995 O O . HOH I 6 . ? 18.457 -12.712 -63.100 1.00 28.50 ? 8 HOH A O 1 HETATM 3996 O O . HOH I 6 . ? 28.639 -11.768 -48.396 1.00 55.24 ? 124 HOH A O 1 HETATM 3997 O O . HOH I 6 . ? 6.242 0.549 -31.824 1.00 45.35 ? 333 HOH A O 1 HETATM 3998 O O . HOH I 6 . ? 1.299 -4.251 -35.741 1.00 64.37 ? 334 HOH A O 1 HETATM 3999 O O . HOH I 6 . ? 26.465 -34.515 10.993 1.00 70.11 ? 335 HOH A O 1 HETATM 4000 O O . HOH I 6 . ? 5.814 -11.839 -47.094 1.00 27.55 ? 336 HOH A O 1 HETATM 4001 O O . HOH I 6 . ? 4.687 -26.273 -36.034 1.00 48.93 ? 337 HOH A O 1 HETATM 4002 O O . HOH I 6 . ? 19.061 -0.337 -63.763 1.00 54.04 ? 338 HOH A O 1 HETATM 4003 O O . HOH I 6 . ? 9.400 -6.586 -42.217 1.00 25.42 ? 339 HOH A O 1 HETATM 4004 O O . HOH I 6 . ? 31.531 -18.324 -58.352 1.00 56.73 ? 340 HOH A O 1 HETATM 4005 O O . HOH I 6 . ? 18.940 2.659 -56.706 1.00 48.35 ? 341 HOH A O 1 HETATM 4006 O O . HOH I 6 . ? 5.159 -16.037 -11.116 1.00 62.30 ? 342 HOH A O 1 HETATM 4007 O O . HOH I 6 . ? 3.874 -1.124 -26.891 1.00 59.88 ? 343 HOH A O 1 HETATM 4008 O O . HOH I 6 . ? 22.091 -15.585 -15.528 1.00 58.35 ? 344 HOH A O 1 HETATM 4009 O O . HOH I 6 . ? 6.124 -23.964 -38.489 1.00 32.17 ? 345 HOH A O 1 HETATM 4010 O O . HOH I 6 . ? 2.117 -15.284 -36.141 1.00 60.54 ? 346 HOH A O 1 HETATM 4011 O O . HOH I 6 . ? 8.597 -26.579 -45.212 1.00 53.50 ? 347 HOH A O 1 HETATM 4012 O O . HOH I 6 . ? 24.514 -15.283 -53.074 1.00 20.70 ? 348 HOH A O 1 HETATM 4013 O O . HOH I 6 . ? 15.888 6.834 -43.188 1.00 48.49 ? 349 HOH A O 1 HETATM 4014 O O . HOH I 6 . ? 30.871 -11.722 -69.577 1.00 48.28 ? 350 HOH A O 1 HETATM 4015 O O . HOH I 6 . ? 6.364 -13.565 -65.879 1.00 58.73 ? 351 HOH A O 1 HETATM 4016 O O . HOH I 6 . ? 0.516 -12.112 -33.787 1.00 60.15 ? 352 HOH A O 1 HETATM 4017 O O . HOH I 6 . ? 23.418 7.043 -44.280 1.00 45.88 ? 353 HOH A O 1 HETATM 4018 O O . HOH I 6 . ? 12.503 -26.107 4.307 1.00 58.12 ? 354 HOH A O 1 HETATM 4019 O O . HOH I 6 . ? 6.303 -17.556 -33.061 1.00 29.38 ? 355 HOH A O 1 HETATM 4020 O O . HOH I 6 . ? 4.063 -13.312 -9.768 1.00 59.69 ? 356 HOH A O 1 HETATM 4021 O O . HOH I 6 . ? 31.392 4.463 -51.424 1.00 62.32 ? 357 HOH A O 1 HETATM 4022 O O . HOH I 6 . ? 15.597 -19.976 -38.948 1.00 24.90 ? 358 HOH A O 1 HETATM 4023 O O . HOH I 6 . ? 10.573 -3.559 -38.691 1.00 32.34 ? 359 HOH A O 1 HETATM 4024 O O . HOH I 6 . ? 10.121 -11.222 -59.700 1.00 22.76 ? 360 HOH A O 1 HETATM 4025 O O . HOH I 6 . ? 30.240 4.680 -42.080 1.00 51.15 ? 361 HOH A O 1 HETATM 4026 O O . HOH I 6 . ? 15.949 -25.153 -49.035 1.00 33.68 ? 362 HOH A O 1 HETATM 4027 O O . HOH I 6 . ? 9.209 -8.101 -45.021 1.00 33.30 ? 363 HOH A O 1 HETATM 4028 O O . HOH I 6 . ? 26.349 -13.600 -46.712 1.00 26.07 ? 364 HOH A O 1 HETATM 4029 O O . HOH I 6 . ? 2.169 -17.825 -23.748 1.00 36.41 ? 365 HOH A O 1 HETATM 4030 O O . HOH I 6 . ? 6.522 -5.940 -31.418 1.00 30.42 ? 366 HOH A O 1 HETATM 4031 O O . HOH I 6 . ? 16.253 -8.184 -6.716 1.00 55.70 ? 367 HOH A O 1 HETATM 4032 O O . HOH I 6 . ? 22.871 -14.322 -76.202 1.00 61.43 ? 368 HOH A O 1 HETATM 4033 O O . HOH I 6 . ? 17.057 -35.992 -59.887 1.00 54.73 ? 369 HOH A O 1 HETATM 4034 O O . HOH I 6 . ? 9.163 -22.757 -25.149 1.00 49.33 ? 370 HOH A O 1 HETATM 4035 O O . HOH I 6 . ? -1.486 -10.269 -26.831 1.00 64.64 ? 371 HOH A O 1 HETATM 4036 O O . HOH I 6 . ? 9.798 -10.917 -73.365 1.00 60.10 ? 372 HOH A O 1 HETATM 4037 O O . HOH I 6 . ? 4.296 -9.987 -33.897 1.00 29.06 ? 373 HOH A O 1 HETATM 4038 O O . HOH I 6 . ? 21.948 -26.929 -3.261 1.00 56.39 ? 374 HOH A O 1 HETATM 4039 O O . HOH I 6 . ? 29.618 -3.659 -42.521 1.00 57.34 ? 375 HOH A O 1 HETATM 4040 O O . HOH I 6 . ? 6.892 -21.655 -47.490 1.00 32.36 ? 376 HOH A O 1 HETATM 4041 O O . HOH I 6 . ? 32.221 2.679 -43.641 1.00 57.82 ? 377 HOH A O 1 HETATM 4042 O O . HOH I 6 . ? 16.884 -32.932 12.589 1.00 67.46 ? 378 HOH A O 1 HETATM 4043 O O . HOH I 6 . ? 31.620 14.625 -51.265 1.00 71.61 ? 379 HOH A O 1 HETATM 4044 O O . HOH I 6 . ? 12.416 -13.477 16.552 1.00 67.32 ? 380 HOH A O 1 HETATM 4045 O O . HOH I 6 . ? -0.202 -6.983 -39.794 1.00 67.23 ? 381 HOH A O 1 HETATM 4046 O O . HOH I 6 . ? 22.057 -23.143 -52.672 1.00 30.69 ? 382 HOH A O 1 HETATM 4047 O O . HOH I 6 . ? 21.352 -28.215 -52.910 1.00 28.90 ? 383 HOH A O 1 HETATM 4048 O O . HOH I 6 . ? 20.751 6.691 -52.204 1.00 31.74 ? 384 HOH A O 1 HETATM 4049 O O . HOH I 6 . ? 19.446 -26.429 -50.652 1.00 41.21 ? 385 HOH A O 1 HETATM 4050 O O . HOH I 6 . ? 7.797 -10.305 -44.763 1.00 29.74 ? 386 HOH A O 1 HETATM 4051 O O . HOH I 6 . ? 37.224 -6.081 -51.583 1.00 41.95 ? 387 HOH A O 1 HETATM 4052 O O . HOH I 6 . ? -1.778 -5.750 -25.138 1.00 67.28 ? 388 HOH A O 1 HETATM 4053 O O . HOH I 6 . ? -0.161 -21.681 -49.723 1.00 54.13 ? 389 HOH A O 1 HETATM 4054 O O . HOH I 6 . ? 16.046 -22.943 19.401 1.00 48.39 ? 390 HOH A O 1 HETATM 4055 O O . HOH I 6 . ? -1.821 -19.660 -25.740 1.00 69.28 ? 391 HOH A O 1 HETATM 4056 O O . HOH I 6 . ? 6.106 -2.096 -30.747 1.00 37.74 ? 392 HOH A O 1 HETATM 4057 O O . HOH I 6 . ? 6.031 -19.665 -31.765 1.00 32.05 ? 393 HOH A O 1 HETATM 4058 O O . HOH I 6 . ? 4.002 -20.873 -24.005 1.00 51.92 ? 394 HOH A O 1 HETATM 4059 O O . HOH I 6 . ? 30.335 -21.824 -59.616 1.00 42.20 ? 395 HOH A O 1 HETATM 4060 O O . HOH I 6 . ? 29.599 -1.090 -46.517 1.00 27.81 ? 396 HOH A O 1 HETATM 4061 O O . HOH I 6 . ? 25.140 0.666 -61.389 1.00 58.47 ? 397 HOH A O 1 HETATM 4062 O O . HOH I 6 . ? -5.882 -20.525 -59.762 1.00 78.94 ? 398 HOH A O 1 HETATM 4063 O O . HOH I 6 . ? 18.966 -21.593 30.798 1.00 53.87 ? 399 HOH A O 1 HETATM 4064 O O . HOH I 6 . ? -0.363 -7.915 -46.225 1.00 50.38 ? 400 HOH A O 1 HETATM 4065 O O . HOH I 6 . ? 19.284 -21.840 -30.112 1.00 51.80 ? 401 HOH A O 1 HETATM 4066 O O . HOH I 6 . ? 16.848 -10.574 -9.558 1.00 58.28 ? 402 HOH A O 1 HETATM 4067 O O . HOH I 6 . ? 29.381 -4.290 -40.093 1.00 55.84 ? 403 HOH A O 1 HETATM 4068 O O . HOH I 6 . ? 16.103 -25.863 -17.879 1.00 59.12 ? 404 HOH A O 1 HETATM 4069 O O . HOH I 6 . ? 1.892 -12.451 -31.230 1.00 44.47 ? 405 HOH A O 1 HETATM 4070 O O . HOH I 6 . ? 5.685 -19.579 -50.104 1.00 39.89 ? 406 HOH A O 1 HETATM 4071 O O . HOH I 6 . ? 13.290 -25.031 -48.759 1.00 31.47 ? 407 HOH A O 1 HETATM 4072 O O . HOH I 6 . ? 29.211 5.791 -51.568 1.00 38.93 ? 408 HOH A O 1 HETATM 4073 O O . HOH I 6 . ? 24.334 -8.959 -32.286 1.00 31.11 ? 409 HOH A O 1 HETATM 4074 O O . HOH I 6 . ? 18.088 3.474 -61.893 1.00 53.97 ? 410 HOH A O 1 HETATM 4075 O O . HOH I 6 . ? 1.183 -13.716 -14.499 1.00 55.24 ? 411 HOH A O 1 HETATM 4076 O O . HOH I 6 . ? 7.608 0.695 -33.766 1.00 34.08 ? 412 HOH A O 1 HETATM 4077 O O . HOH I 6 . ? -0.920 -21.831 -62.690 1.00 67.19 ? 413 HOH A O 1 HETATM 4078 O O . HOH I 6 . ? 13.066 -27.382 -19.347 1.00 59.77 ? 414 HOH A O 1 HETATM 4079 O O . HOH I 6 . ? 13.902 -22.683 -25.959 1.00 60.09 ? 415 HOH A O 1 HETATM 4080 O O . HOH I 6 . ? 18.053 -19.982 -28.209 1.00 53.12 ? 416 HOH A O 1 HETATM 4081 O O . HOH I 6 . ? 28.137 -19.566 -55.669 1.00 47.79 ? 417 HOH A O 1 HETATM 4082 O O . HOH I 6 . ? 15.603 -20.086 -27.014 1.00 28.18 ? 418 HOH A O 1 HETATM 4083 O O . HOH I 6 . ? 28.750 -19.595 -46.200 1.00 47.85 ? 419 HOH A O 1 HETATM 4084 O O . HOH I 6 . ? 17.898 -28.816 3.243 1.00 66.03 ? 420 HOH A O 1 HETATM 4085 O O . HOH I 6 . ? 16.874 -3.707 -23.921 1.00 44.60 ? 421 HOH A O 1 HETATM 4086 O O . HOH I 6 . ? 3.300 -18.526 -42.110 1.00 38.91 ? 422 HOH A O 1 HETATM 4087 O O . HOH I 6 . ? 14.777 -20.513 -43.402 1.00 26.69 ? 423 HOH A O 1 HETATM 4088 O O . HOH I 6 . ? 29.423 -3.865 -47.479 1.00 35.51 ? 424 HOH A O 1 HETATM 4089 O O . HOH I 6 . ? 12.352 -31.421 -48.508 1.00 61.24 ? 425 HOH A O 1 HETATM 4090 O O . HOH I 6 . ? 8.452 0.041 -47.948 1.00 54.44 ? 426 HOH A O 1 HETATM 4091 O O . HOH I 6 . ? 8.563 -26.316 -34.824 1.00 39.94 ? 427 HOH A O 1 HETATM 4092 O O . HOH I 6 . ? 7.085 -0.031 -38.388 1.00 36.13 ? 428 HOH A O 1 HETATM 4093 O O . HOH I 6 . ? 28.462 -7.713 -43.009 1.00 34.99 ? 429 HOH A O 1 HETATM 4094 O O . HOH I 6 . ? 16.502 -32.459 -60.286 1.00 60.37 ? 430 HOH A O 1 HETATM 4095 O O . HOH I 6 . ? 21.480 5.614 -54.635 1.00 37.05 ? 431 HOH A O 1 HETATM 4096 O O . HOH I 6 . ? 11.466 -19.393 -3.975 1.00 64.67 ? 432 HOH A O 1 HETATM 4097 O O . HOH I 6 . ? 29.202 -17.445 -41.239 1.00 27.96 ? 433 HOH A O 1 HETATM 4098 O O . HOH I 6 . ? 28.217 2.652 -40.911 1.00 44.51 ? 434 HOH A O 1 HETATM 4099 O O . HOH I 6 . ? 23.428 -18.190 6.630 1.00 43.40 ? 435 HOH A O 1 HETATM 4100 O O . HOH I 6 . ? 26.926 5.778 -55.461 1.00 48.95 ? 436 HOH A O 1 HETATM 4101 O O . HOH I 6 . ? 25.540 -21.625 -49.698 1.00 40.21 ? 437 HOH A O 1 HETATM 4102 O O . HOH I 6 . ? 21.399 -22.282 -45.514 1.00 39.78 ? 438 HOH A O 1 HETATM 4103 O O . HOH I 6 . ? 7.853 -1.233 -56.481 1.00 43.14 ? 439 HOH A O 1 HETATM 4104 O O . HOH I 6 . ? 16.991 -3.401 -66.664 1.00 33.27 ? 440 HOH A O 1 HETATM 4105 O O . HOH I 6 . ? 12.254 -2.731 -27.939 1.00 46.69 ? 441 HOH A O 1 HETATM 4106 O O . HOH I 6 . ? 6.629 -6.771 -53.166 1.00 39.27 ? 442 HOH A O 1 HETATM 4107 O O . HOH I 6 . ? -3.559 -15.936 -51.048 1.00 46.58 ? 443 HOH A O 1 HETATM 4108 O O . HOH I 6 . ? 9.545 -4.059 -41.254 1.00 34.58 ? 444 HOH A O 1 HETATM 4109 O O . HOH I 6 . ? 18.968 -16.055 -16.319 1.00 37.01 ? 445 HOH A O 1 HETATM 4110 O O . HOH I 6 . ? 20.385 -25.287 -47.375 1.00 37.44 ? 446 HOH A O 1 HETATM 4111 O O . HOH I 6 . ? 9.270 -1.530 -42.279 1.00 32.08 ? 447 HOH A O 1 HETATM 4112 O O . HOH I 6 . ? 29.211 -5.462 -59.018 1.00 36.73 ? 448 HOH A O 1 HETATM 4113 O O . HOH I 6 . ? 14.809 -6.405 -25.072 1.00 33.68 ? 449 HOH A O 1 HETATM 4114 O O . HOH I 6 . ? 15.467 -23.219 -2.440 1.00 51.79 ? 450 HOH A O 1 HETATM 4115 O O . HOH I 6 . ? 26.660 -2.063 -60.932 1.00 35.67 ? 451 HOH A O 1 HETATM 4116 O O . HOH I 6 . ? 9.286 -10.129 -57.563 1.00 35.47 ? 452 HOH A O 1 HETATM 4117 O O . HOH I 6 . ? 6.067 -13.168 -58.996 1.00 48.63 ? 453 HOH A O 1 HETATM 4118 O O . HOH I 6 . ? 9.664 -6.862 -55.050 1.00 36.05 ? 454 HOH A O 1 HETATM 4119 O O . HOH I 6 . ? 14.122 -25.573 -60.456 1.00 42.49 ? 455 HOH A O 1 HETATM 4120 O O . HOH I 6 . ? 25.108 -23.052 -53.602 1.00 40.13 ? 456 HOH A O 1 HETATM 4121 O O . HOH I 6 . ? 11.064 -12.181 -64.274 1.00 42.80 ? 457 HOH A O 1 HETATM 4122 O O . HOH I 6 . ? 7.473 -23.184 -61.397 1.00 38.78 ? 458 HOH A O 1 HETATM 4123 O O . HOH I 6 . ? 1.062 -20.795 -26.268 1.00 49.33 ? 459 HOH A O 1 HETATM 4124 O O . HOH I 6 . ? 10.214 -30.968 -50.306 1.00 47.66 ? 460 HOH A O 1 HETATM 4125 O O . HOH I 6 . ? 9.616 -32.063 -54.390 1.00 52.59 ? 461 HOH A O 1 HETATM 4126 O O . HOH I 6 . ? 11.221 -3.690 -23.165 1.00 42.55 ? 462 HOH A O 1 HETATM 4127 O O . HOH I 6 . ? 8.380 -15.994 -11.066 1.00 39.02 ? 463 HOH A O 1 HETATM 4128 O O . HOH I 6 . ? 24.956 -20.291 -42.780 1.00 36.63 ? 464 HOH A O 1 HETATM 4129 O O . HOH I 6 . ? 35.984 -8.585 -50.192 1.00 40.61 ? 465 HOH A O 1 HETATM 4130 O O . HOH I 6 . ? 32.321 -6.927 -57.446 1.00 43.82 ? 466 HOH A O 1 HETATM 4131 O O . HOH I 6 . ? 6.928 -26.056 -36.933 1.00 42.57 ? 467 HOH A O 1 HETATM 4132 O O . HOH I 6 . ? -2.545 -19.357 -51.625 1.00 43.79 ? 468 HOH A O 1 HETATM 4133 O O . HOH I 6 . ? 5.577 -14.261 -13.502 1.00 45.82 ? 469 HOH A O 1 HETATM 4134 O O . HOH I 6 . ? 8.899 -9.754 -14.021 1.00 37.32 ? 470 HOH A O 1 HETATM 4135 O O . HOH I 6 . ? 7.474 -2.221 -44.123 1.00 43.75 ? 471 HOH A O 1 HETATM 4136 O O . HOH I 6 . ? 27.363 -19.925 -44.307 1.00 36.07 ? 472 HOH A O 1 HETATM 4137 O O . HOH I 6 . ? 23.925 -24.173 16.756 1.00 60.25 ? 473 HOH A O 1 HETATM 4138 O O . HOH I 6 . ? 4.787 -7.683 -34.765 1.00 30.87 ? 474 HOH A O 1 HETATM 4139 O O . HOH I 6 . ? 3.718 -5.945 -31.816 1.00 35.24 ? 475 HOH A O 1 HETATM 4140 O O . HOH I 6 . ? 17.181 5.995 -49.504 1.00 45.62 ? 476 HOH A O 1 HETATM 4141 O O . HOH I 6 . ? 3.549 -3.065 -31.040 1.00 38.80 ? 477 HOH A O 1 HETATM 4142 O O . HOH I 6 . ? 27.029 -20.342 -39.974 1.00 37.77 ? 478 HOH A O 1 HETATM 4143 O O . HOH I 6 . ? 7.385 -4.375 -54.050 1.00 45.04 ? 479 HOH A O 1 HETATM 4144 O O . HOH I 6 . ? 10.191 -22.433 -61.021 1.00 45.01 ? 480 HOH A O 1 HETATM 4145 O O . HOH I 6 . ? 3.455 -18.633 -32.833 1.00 47.35 ? 481 HOH A O 1 HETATM 4146 O O . HOH I 6 . ? 2.086 -22.203 -43.293 1.00 45.44 ? 482 HOH A O 1 HETATM 4147 O O . HOH I 6 . ? 9.823 -22.741 -47.083 1.00 30.81 ? 483 HOH A O 1 HETATM 4148 O O . HOH I 6 . ? -3.871 -14.197 -23.124 1.00 55.82 ? 484 HOH A O 1 HETATM 4149 O O . HOH I 6 . ? 17.046 2.351 -58.849 1.00 40.46 ? 485 HOH A O 1 HETATM 4150 O O . HOH I 6 . ? 20.306 1.625 -59.963 1.00 40.48 ? 486 HOH A O 1 HETATM 4151 O O . HOH I 6 . ? 22.227 9.089 -53.302 1.00 45.11 ? 487 HOH A O 1 HETATM 4152 O O . HOH I 6 . ? 9.984 -20.355 -5.871 1.00 50.23 ? 488 HOH A O 1 HETATM 4153 O O . HOH I 6 . ? 38.205 -0.561 -49.092 1.00 51.28 ? 489 HOH A O 1 HETATM 4154 O O . HOH I 6 . ? 26.514 -10.798 -37.097 1.00 40.53 ? 490 HOH A O 1 HETATM 4155 O O . HOH I 6 . ? 11.021 -10.276 -11.937 1.00 56.84 ? 491 HOH A O 1 HETATM 4156 O O . HOH I 6 . ? 16.298 -6.409 -73.076 1.00 46.81 ? 492 HOH A O 1 HETATM 4157 O O . HOH I 6 . ? 28.529 -11.062 -39.572 1.00 36.85 ? 493 HOH A O 1 HETATM 4158 O O . HOH I 6 . ? 2.932 -11.605 -35.932 1.00 60.09 ? 494 HOH A O 1 HETATM 4159 O O . HOH I 6 . ? 20.481 -24.856 2.956 1.00 45.46 ? 495 HOH A O 1 HETATM 4160 O O . HOH I 6 . ? 11.769 -26.439 18.965 1.00 53.35 ? 496 HOH A O 1 HETATM 4161 O O . HOH I 6 . ? -1.222 -21.593 -54.158 1.00 50.26 ? 497 HOH A O 1 HETATM 4162 O O . HOH I 6 . ? 28.613 -13.493 -68.783 1.00 46.61 ? 498 HOH A O 1 HETATM 4163 O O . HOH I 6 . ? 11.960 -17.305 2.440 1.00 45.51 ? 499 HOH A O 1 HETATM 4164 O O . HOH I 6 . ? 6.327 -4.063 -47.843 1.00 45.85 ? 500 HOH A O 1 HETATM 4165 O O . HOH I 6 . ? 11.153 3.391 -49.510 1.00 49.98 ? 501 HOH A O 1 HETATM 4166 O O . HOH I 6 . ? 12.805 -5.968 -18.425 1.00 52.72 ? 502 HOH A O 1 HETATM 4167 O O . HOH I 6 . ? 25.671 8.404 -55.057 1.00 43.22 ? 503 HOH A O 1 HETATM 4168 O O . HOH I 6 . ? 26.921 -13.774 -54.925 1.00 52.28 ? 504 HOH A O 1 HETATM 4169 O O . HOH I 6 . ? 13.948 -22.865 -45.365 1.00 33.26 ? 505 HOH A O 1 HETATM 4170 O O . HOH I 6 . ? 16.054 -9.248 -31.566 1.00 29.78 ? 506 HOH A O 1 HETATM 4171 O O . HOH I 6 . ? 15.808 -17.626 -25.277 1.00 37.22 ? 507 HOH A O 1 HETATM 4172 O O . HOH I 6 . ? 10.463 -17.702 -63.305 1.00 46.86 ? 508 HOH A O 1 HETATM 4173 O O . HOH I 6 . ? 12.598 -3.898 -25.307 1.00 51.90 ? 509 HOH A O 1 HETATM 4174 O O . HOH I 6 . ? 2.716 -6.103 -42.182 1.00 52.78 ? 510 HOH A O 1 HETATM 4175 O O . HOH I 6 . ? 23.550 -34.049 -60.546 1.00 57.14 ? 511 HOH A O 1 HETATM 4176 O O . HOH I 6 . ? 13.924 -24.783 -1.097 1.00 52.18 ? 512 HOH A O 1 HETATM 4177 O O . HOH I 6 . ? 3.857 -10.009 -31.324 1.00 48.55 ? 513 HOH A O 1 HETATM 4178 O O . HOH I 6 . ? 21.016 -16.591 -32.789 1.00 45.58 ? 514 HOH A O 1 HETATM 4179 O O . HOH I 6 . ? 7.162 -26.398 -56.859 1.00 40.50 ? 515 HOH A O 1 HETATM 4180 O O . HOH I 6 . ? 29.892 2.957 -57.682 1.00 57.42 ? 516 HOH A O 1 HETATM 4181 O O . HOH I 6 . ? 0.819 -13.873 -43.224 1.00 38.25 ? 517 HOH A O 1 HETATM 4182 O O . HOH I 6 . ? -0.903 -14.834 -29.492 1.00 58.46 ? 518 HOH A O 1 HETATM 4183 O O . HOH I 6 . ? -6.380 -22.508 -56.681 1.00 54.57 ? 519 HOH A O 1 HETATM 4184 O O . HOH I 6 . ? 17.551 -7.735 -22.067 1.00 47.58 ? 520 HOH A O 1 HETATM 4185 O O . HOH I 6 . ? 11.196 4.452 -59.353 1.00 45.25 ? 521 HOH A O 1 HETATM 4186 O O . HOH I 6 . ? 5.964 -23.799 -19.803 1.00 35.21 ? 522 HOH A O 1 HETATM 4187 O O . HOH I 6 . ? 6.626 1.611 -35.843 1.00 47.54 ? 523 HOH A O 1 HETATM 4188 O O . HOH I 6 . ? 29.598 -17.283 -49.677 1.00 46.15 ? 524 HOH A O 1 HETATM 4189 O O . HOH I 6 . ? 0.716 -9.000 -24.924 1.00 46.46 ? 525 HOH A O 1 HETATM 4190 O O . HOH I 6 . ? 6.226 -11.612 -14.762 1.00 50.84 ? 526 HOH A O 1 HETATM 4191 O O . HOH I 6 . ? 5.378 -5.867 -50.294 1.00 56.67 ? 527 HOH A O 1 HETATM 4192 O O . HOH I 6 . ? 7.201 -8.376 -59.805 1.00 46.88 ? 528 HOH A O 1 HETATM 4193 O O . HOH I 6 . ? 26.455 -8.635 -33.889 1.00 42.05 ? 529 HOH A O 1 HETATM 4194 O O . HOH I 6 . ? 22.480 -18.354 -17.989 1.00 48.25 ? 530 HOH A O 1 HETATM 4195 O O . HOH I 6 . ? 7.584 -24.318 -26.746 1.00 36.65 ? 531 HOH A O 1 HETATM 4196 O O . HOH I 6 . ? 9.092 -0.404 -40.016 1.00 47.64 ? 532 HOH A O 1 HETATM 4197 O O . HOH I 6 . ? 0.965 -9.042 -49.714 1.00 43.28 ? 533 HOH A O 1 HETATM 4198 O O . HOH I 6 . ? 10.580 -18.805 10.575 1.00 52.34 ? 534 HOH A O 1 HETATM 4199 O O . HOH I 6 . ? 25.952 -20.219 -66.084 1.00 44.27 ? 535 HOH A O 1 HETATM 4200 O O . HOH I 6 . ? 18.717 2.759 -31.205 1.00 42.17 ? 536 HOH A O 1 HETATM 4201 O O . HOH I 6 . ? 29.641 -17.174 -46.753 1.00 57.28 ? 537 HOH A O 1 HETATM 4202 O O . HOH I 6 . ? 13.488 -10.615 -12.362 1.00 47.95 ? 538 HOH A O 1 HETATM 4203 O O . HOH I 6 . ? 26.947 -24.432 -64.475 1.00 51.88 ? 539 HOH A O 1 HETATM 4204 O O . HOH I 6 . ? 28.041 -16.646 -53.153 1.00 60.79 ? 540 HOH A O 1 HETATM 4205 O O . HOH I 6 . ? 28.241 -9.735 -30.924 1.00 45.34 ? 541 HOH A O 1 HETATM 4206 O O . HOH I 6 . ? 2.270 -1.341 -32.775 1.00 44.68 ? 542 HOH A O 1 HETATM 4207 O O . HOH I 6 . ? 11.774 -18.552 8.073 1.00 55.76 ? 543 HOH A O 1 HETATM 4208 O O . HOH I 6 . ? -1.453 -19.567 -47.586 1.00 52.99 ? 544 HOH A O 1 HETATM 4209 O O . HOH I 6 . ? 13.689 -35.543 -56.387 1.00 60.43 ? 545 HOH A O 1 HETATM 4210 O O . HOH I 6 . ? 2.679 -7.595 -50.975 1.00 47.83 ? 546 HOH A O 1 HETATM 4211 O O . HOH I 6 . ? 3.394 -23.177 -45.733 1.00 56.30 ? 547 HOH A O 1 HETATM 4212 O O . HOH I 6 . ? 12.745 -22.454 -61.758 1.00 43.01 ? 548 HOH A O 1 HETATM 4213 O O . HOH I 6 . ? -3.428 -15.816 -58.489 1.00 48.27 ? 549 HOH A O 1 HETATM 4214 O O . HOH I 6 . ? 8.722 -22.489 -5.085 1.00 56.02 ? 550 HOH A O 1 HETATM 4215 O O . HOH I 6 . ? 8.062 -10.512 -55.764 1.00 33.04 ? 551 HOH A O 1 HETATM 4216 O O . HOH I 6 . ? 10.643 -25.068 -29.325 1.00 45.19 ? 552 HOH A O 1 HETATM 4217 O O . HOH I 6 . ? 26.022 -3.338 -35.888 1.00 47.67 ? 553 HOH A O 1 HETATM 4218 O O . HOH I 6 . ? 11.935 -24.507 -11.377 1.00 44.55 ? 554 HOH A O 1 HETATM 4219 O O . HOH I 6 . ? 6.245 -22.525 -11.933 1.00 48.51 ? 555 HOH A O 1 HETATM 4220 O O . HOH I 6 . ? 29.562 -20.307 -50.732 1.00 46.76 ? 556 HOH A O 1 HETATM 4221 O O . HOH I 6 . ? 16.697 -23.548 -46.138 1.00 41.69 ? 557 HOH A O 1 HETATM 4222 O O . HOH I 6 . ? 2.285 -4.652 -38.111 1.00 51.09 ? 558 HOH A O 1 HETATM 4223 O O . HOH I 6 . ? 19.471 -13.147 -32.200 1.00 43.38 ? 559 HOH A O 1 HETATM 4224 O O . HOH I 6 . ? 8.515 -7.091 -66.120 1.00 37.92 ? 560 HOH A O 1 HETATM 4225 O O . HOH I 6 . ? 31.277 4.517 -46.151 1.00 59.39 ? 561 HOH A O 1 HETATM 4226 O O . HOH I 6 . ? 25.429 -21.455 -68.038 1.00 51.89 ? 562 HOH A O 1 HETATM 4227 O O . HOH I 6 . ? 31.023 -16.404 -53.871 1.00 48.19 ? 563 HOH A O 1 HETATM 4228 O O . HOH I 6 . ? 0.747 -9.579 -16.497 1.00 58.10 ? 564 HOH A O 1 HETATM 4229 O O . HOH I 6 . ? 0.388 -14.454 -45.963 1.00 46.75 ? 565 HOH A O 1 HETATM 4230 O O . HOH I 6 . ? 11.910 4.879 -43.506 1.00 57.40 ? 566 HOH A O 1 HETATM 4231 O O . HOH I 6 . ? 2.652 -12.121 -57.369 1.00 58.46 ? 567 HOH A O 1 HETATM 4232 O O . HOH I 6 . ? 29.209 -7.970 -45.332 1.00 49.69 ? 568 HOH A O 1 HETATM 4233 O O . HOH I 6 . ? 8.028 -23.718 9.340 1.00 58.00 ? 569 HOH A O 1 HETATM 4234 O O . HOH I 6 . ? 24.495 -20.015 -16.352 1.00 56.96 ? 570 HOH A O 1 HETATM 4235 O O . HOH I 6 . ? 26.089 -8.671 -29.508 1.00 45.72 ? 571 HOH A O 1 HETATM 4236 O O . HOH I 6 . ? 29.365 -24.432 -54.993 1.00 60.81 ? 572 HOH A O 1 HETATM 4237 O O . HOH I 6 . ? 9.795 3.395 -38.651 1.00 62.19 ? 573 HOH A O 1 HETATM 4238 O O . HOH I 6 . ? 17.831 -30.077 13.630 1.00 64.44 ? 574 HOH A O 1 HETATM 4239 O O . HOH I 6 . ? -0.004 -19.770 -44.143 1.00 48.51 ? 575 HOH A O 1 HETATM 4240 O O . HOH I 6 . ? 8.651 -0.153 -58.708 1.00 55.83 ? 576 HOH A O 1 HETATM 4241 O O . HOH I 6 . ? -1.565 -12.224 -47.656 1.00 50.99 ? 577 HOH A O 1 HETATM 4242 O O . HOH I 6 . ? 25.035 -22.409 -46.377 1.00 45.49 ? 578 HOH A O 1 HETATM 4243 O O . HOH I 6 . ? 6.473 -21.084 -23.225 1.00 55.63 ? 579 HOH A O 1 HETATM 4244 O O . HOH I 6 . ? 29.394 -10.385 -46.159 1.00 52.33 ? 580 HOH A O 1 HETATM 4245 O O . HOH I 6 . ? 21.220 -11.636 -8.419 1.00 63.52 ? 581 HOH A O 1 HETATM 4246 O O . HOH I 6 . ? 15.807 5.431 -36.357 1.00 60.45 ? 582 HOH A O 1 HETATM 4247 O O . HOH I 6 . ? 6.962 -24.482 -51.128 1.00 52.32 ? 583 HOH A O 1 HETATM 4248 O O . HOH I 6 . ? 17.039 -26.286 2.473 1.00 47.58 ? 584 HOH A O 1 HETATM 4249 O O . HOH I 6 . ? 15.617 -34.487 -61.420 1.00 67.70 ? 585 HOH A O 1 HETATM 4250 O O . HOH I 6 . ? 12.938 -12.085 45.444 1.00 89.30 ? 586 HOH A O 1 HETATM 4251 O O . HOH I 6 . ? 12.340 -16.079 0.114 1.00 46.53 ? 587 HOH A O 1 HETATM 4252 O O . HOH I 6 . ? 5.632 -8.494 -54.923 1.00 42.95 ? 588 HOH A O 1 HETATM 4253 O O . HOH I 6 . ? 7.716 3.630 -37.430 1.00 54.51 ? 589 HOH A O 1 HETATM 4254 O O . HOH I 6 . ? 2.635 -0.422 -37.160 1.00 54.07 ? 590 HOH A O 1 HETATM 4255 O O . HOH I 6 . ? 20.930 -11.448 -74.263 1.00 59.20 ? 591 HOH A O 1 HETATM 4256 O O . HOH I 6 . ? 11.364 -13.635 -69.087 1.00 44.78 ? 592 HOH A O 1 HETATM 4257 O O . HOH I 6 . ? 11.930 2.712 -34.788 1.00 48.43 ? 593 HOH A O 1 HETATM 4258 O O . HOH I 6 . ? -1.669 -8.578 -41.290 1.00 59.12 ? 594 HOH A O 1 HETATM 4259 O O . HOH I 6 . ? 27.104 2.842 -37.428 1.00 45.37 ? 595 HOH A O 1 HETATM 4260 O O . HOH I 6 . ? 2.987 -7.076 -37.184 1.00 51.52 ? 596 HOH A O 1 HETATM 4261 O O . HOH I 6 . ? 13.090 -25.832 -29.644 1.00 62.92 ? 597 HOH A O 1 HETATM 4262 O O . HOH I 6 . ? 32.385 6.307 -47.726 1.00 69.88 ? 598 HOH A O 1 HETATM 4263 O O . HOH I 6 . ? 3.829 0.813 -32.518 1.00 50.66 ? 599 HOH A O 1 HETATM 4264 O O . HOH I 6 . ? 15.202 6.052 -45.299 1.00 53.95 ? 600 HOH A O 1 HETATM 4265 O O . HOH I 6 . ? 0.395 -15.238 -34.283 1.00 54.85 ? 601 HOH A O 1 HETATM 4266 O O . HOH I 6 . ? 23.060 -22.596 -42.006 1.00 52.44 ? 602 HOH A O 1 HETATM 4267 O O . HOH I 6 . ? 10.707 -4.751 -65.858 1.00 66.75 ? 603 HOH A O 1 HETATM 4268 O O . HOH I 6 . ? 3.165 -22.505 -15.116 1.00 60.11 ? 604 HOH A O 1 HETATM 4269 O O . HOH I 6 . ? 1.733 -1.216 -35.252 1.00 52.11 ? 605 HOH A O 1 HETATM 4270 O O . HOH I 6 . ? 13.830 -10.909 -1.146 1.00 50.58 ? 606 HOH A O 1 HETATM 4271 O O . HOH I 6 . ? 27.500 -11.931 -44.675 1.00 45.65 ? 607 HOH A O 1 HETATM 4272 O O . HOH I 6 . ? 5.853 -0.740 -28.306 1.00 48.86 ? 608 HOH A O 1 HETATM 4273 O O . HOH I 6 . ? 17.978 -16.622 -26.285 1.00 51.19 ? 609 HOH A O 1 HETATM 4274 O O . HOH I 6 . ? 19.235 -2.297 -24.373 1.00 64.44 ? 610 HOH A O 1 HETATM 4275 O O . HOH I 6 . ? 18.754 -21.914 -45.430 1.00 53.10 ? 611 HOH A O 1 HETATM 4276 O O . HOH I 6 . ? 31.081 8.204 -49.421 1.00 63.25 ? 612 HOH A O 1 HETATM 4277 O O . HOH I 6 . ? 33.931 -15.515 -62.598 1.00 61.55 ? 613 HOH A O 1 HETATM 4278 O O . HOH I 6 . ? 15.051 -22.232 -39.611 1.00 50.58 ? 614 HOH A O 1 HETATM 4279 O O . HOH I 6 . ? 6.336 -21.235 -62.695 1.00 64.29 ? 615 HOH A O 1 HETATM 4280 O O . HOH I 6 . ? 22.793 -7.472 -27.479 1.00 56.18 ? 616 HOH A O 1 HETATM 4281 O O . HOH I 6 . ? 0.934 -7.277 -44.103 1.00 54.38 ? 617 HOH A O 1 HETATM 4282 O O . HOH I 6 . ? 17.868 -25.785 -14.328 1.00 50.84 ? 618 HOH A O 1 HETATM 4283 O O . HOH I 6 . ? 0.867 -20.644 -41.991 1.00 50.67 ? 619 HOH A O 1 HETATM 4284 O O . HOH I 6 . ? 8.328 -24.360 -6.502 1.00 60.78 ? 620 HOH A O 1 HETATM 4285 O O . HOH I 6 . ? 24.211 -11.590 -28.070 1.00 45.91 ? 621 HOH A O 1 HETATM 4286 O O . HOH I 6 . ? 33.670 -11.637 -50.588 1.00 54.95 ? 622 HOH A O 1 HETATM 4287 O O . HOH I 6 . ? -6.794 -10.539 -22.771 1.00 72.88 ? 623 HOH A O 1 HETATM 4288 O O . HOH I 6 . ? 19.427 -14.707 -29.499 1.00 48.86 ? 624 HOH A O 1 HETATM 4289 O O . HOH I 6 . ? 16.414 -24.588 -34.449 1.00 56.54 ? 625 HOH A O 1 HETATM 4290 O O . HOH J 6 . ? 22.914 -14.443 -30.791 1.00 40.52 ? 177 HOH B O 1 HETATM 4291 O O . HOH J 6 . ? 34.033 -25.647 -39.052 1.00 28.32 ? 178 HOH B O 1 HETATM 4292 O O . HOH J 6 . ? 22.444 -22.192 16.200 1.00 27.45 ? 179 HOH B O 1 HETATM 4293 O O . HOH J 6 . ? 24.544 -22.042 34.598 1.00 31.07 ? 180 HOH B O 1 HETATM 4294 O O . HOH J 6 . ? 29.032 -15.875 38.237 1.00 32.99 ? 181 HOH B O 1 HETATM 4295 O O . HOH J 6 . ? 16.813 -21.383 26.024 1.00 31.80 ? 182 HOH B O 1 HETATM 4296 O O . HOH J 6 . ? 26.554 -25.552 21.125 1.00 33.46 ? 183 HOH B O 1 HETATM 4297 O O . HOH J 6 . ? 32.693 -20.840 -38.194 1.00 31.18 ? 184 HOH B O 1 HETATM 4298 O O . HOH J 6 . ? 19.410 -25.939 30.090 1.00 36.15 ? 185 HOH B O 1 HETATM 4299 O O . HOH J 6 . ? 34.375 -23.135 -37.159 1.00 26.88 ? 186 HOH B O 1 HETATM 4300 O O . HOH J 6 . ? 26.667 -27.922 11.375 1.00 36.04 ? 187 HOH B O 1 HETATM 4301 O O . HOH J 6 . ? 26.787 -10.345 17.738 1.00 37.32 ? 188 HOH B O 1 HETATM 4302 O O . HOH J 6 . ? 30.130 -8.533 32.255 1.00 47.06 ? 189 HOH B O 1 HETATM 4303 O O . HOH J 6 . ? 23.652 -24.673 -0.441 1.00 42.51 ? 190 HOH B O 1 HETATM 4304 O O . HOH J 6 . ? 14.487 -18.400 36.277 1.00 47.85 ? 191 HOH B O 1 HETATM 4305 O O . HOH J 6 . ? 31.493 -30.394 -42.015 1.00 51.79 ? 192 HOH B O 1 HETATM 4306 O O . HOH J 6 . ? 21.258 -25.144 0.415 1.00 50.46 ? 193 HOH B O 1 HETATM 4307 O O . HOH J 6 . ? 33.212 -25.808 -15.236 1.00 46.05 ? 194 HOH B O 1 HETATM 4308 O O . HOH J 6 . ? 27.808 -30.004 -28.587 1.00 38.34 ? 195 HOH B O 1 HETATM 4309 O O . HOH J 6 . ? 34.464 -11.960 36.577 1.00 45.55 ? 196 HOH B O 1 HETATM 4310 O O . HOH J 6 . ? 17.540 -25.202 28.450 1.00 38.79 ? 197 HOH B O 1 HETATM 4311 O O . HOH J 6 . ? 31.379 -27.787 -19.513 1.00 45.01 ? 198 HOH B O 1 HETATM 4312 O O . HOH J 6 . ? 25.932 -6.161 50.764 1.00 46.15 ? 199 HOH B O 1 HETATM 4313 O O . HOH J 6 . ? 25.961 -11.810 22.653 1.00 45.80 ? 200 HOH B O 1 HETATM 4314 O O . HOH J 6 . ? 32.320 -17.034 22.554 1.00 40.73 ? 201 HOH B O 1 HETATM 4315 O O . HOH J 6 . ? 26.293 -23.938 -28.252 1.00 43.69 ? 202 HOH B O 1 HETATM 4316 O O . HOH J 6 . ? 22.740 -24.250 -33.230 1.00 38.23 ? 203 HOH B O 1 HETATM 4317 O O . HOH J 6 . ? 28.027 -27.812 25.623 1.00 45.16 ? 204 HOH B O 1 HETATM 4318 O O . HOH J 6 . ? 32.583 -7.986 -2.607 1.00 46.60 ? 205 HOH B O 1 HETATM 4319 O O . HOH J 6 . ? 17.102 -22.571 28.767 1.00 46.56 ? 206 HOH B O 1 HETATM 4320 O O . HOH J 6 . ? 31.357 -12.317 27.019 1.00 42.46 ? 207 HOH B O 1 HETATM 4321 O O . HOH J 6 . ? 29.306 -22.960 -42.253 1.00 43.88 ? 208 HOH B O 1 HETATM 4322 O O . HOH J 6 . ? 29.513 -13.602 18.252 1.00 39.90 ? 209 HOH B O 1 HETATM 4323 O O . HOH J 6 . ? 32.471 -15.074 26.061 1.00 37.91 ? 210 HOH B O 1 HETATM 4324 O O . HOH J 6 . ? 17.306 -24.456 36.868 1.00 64.20 ? 211 HOH B O 1 HETATM 4325 O O . HOH J 6 . ? 23.205 -28.540 30.942 1.00 54.66 ? 212 HOH B O 1 HETATM 4326 O O . HOH J 6 . ? 23.296 -5.823 49.548 1.00 46.29 ? 213 HOH B O 1 HETATM 4327 O O . HOH J 6 . ? 23.650 -23.600 -20.443 1.00 53.07 ? 214 HOH B O 1 HETATM 4328 O O . HOH J 6 . ? 33.585 -20.375 -40.713 1.00 40.51 ? 215 HOH B O 1 HETATM 4329 O O . HOH J 6 . ? 28.332 -29.687 -31.384 1.00 40.39 ? 216 HOH B O 1 HETATM 4330 O O . HOH J 6 . ? 12.662 -7.805 35.609 1.00 53.81 ? 218 HOH B O 1 HETATM 4331 O O . HOH J 6 . ? 25.249 -8.243 33.781 1.00 45.78 ? 224 HOH B O 1 HETATM 4332 O O . HOH J 6 . ? 13.093 -11.831 32.338 1.00 44.16 ? 225 HOH B O 1 HETATM 4333 O O . HOH J 6 . ? 11.270 -10.070 44.338 1.00 53.57 ? 227 HOH B O 1 HETATM 4334 O O . HOH J 6 . ? 29.040 -20.253 -41.719 1.00 43.65 ? 233 HOH B O 1 HETATM 4335 O O . HOH J 6 . ? 9.064 -10.702 38.718 1.00 59.24 ? 234 HOH B O 1 HETATM 4336 O O . HOH J 6 . ? 6.671 -14.342 30.221 1.00 53.63 ? 239 HOH B O 1 HETATM 4337 O O . HOH J 6 . ? 29.098 -21.424 41.062 1.00 50.02 ? 247 HOH B O 1 HETATM 4338 O O . HOH J 6 . ? 32.180 -23.803 -41.984 1.00 50.55 ? 248 HOH B O 1 HETATM 4339 O O . HOH J 6 . ? 24.169 -26.232 18.476 1.00 40.84 ? 251 HOH B O 1 HETATM 4340 O O . HOH J 6 . ? 33.478 -22.331 23.581 1.00 45.85 ? 252 HOH B O 1 HETATM 4341 O O . HOH J 6 . ? 30.719 -6.998 38.476 1.00 54.90 ? 253 HOH B O 1 HETATM 4342 O O . HOH J 6 . ? 26.691 -24.084 16.748 1.00 38.53 ? 256 HOH B O 1 HETATM 4343 O O . HOH J 6 . ? 34.395 -14.510 37.433 1.00 57.19 ? 257 HOH B O 1 HETATM 4344 O O . HOH J 6 . ? 9.562 -21.222 26.636 1.00 54.30 ? 258 HOH B O 1 HETATM 4345 O O . HOH J 6 . ? 28.536 -11.842 21.020 1.00 42.14 ? 259 HOH B O 1 HETATM 4346 O O . HOH J 6 . ? 31.047 -17.458 38.483 1.00 51.87 ? 260 HOH B O 1 HETATM 4347 O O . HOH J 6 . ? 17.095 -6.805 45.155 1.00 56.92 ? 262 HOH B O 1 HETATM 4348 O O . HOH J 6 . ? 31.104 -28.808 -17.062 1.00 58.54 ? 265 HOH B O 1 HETATM 4349 O O . HOH J 6 . ? 22.585 -12.597 -21.968 1.00 57.32 ? 271 HOH B O 1 HETATM 4350 O O . HOH J 6 . ? 27.135 -32.466 -40.440 1.00 46.39 ? 276 HOH B O 1 HETATM 4351 O O . HOH J 6 . ? 32.650 -20.076 13.977 1.00 56.20 ? 277 HOH B O 1 HETATM 4352 O O . HOH J 6 . ? 28.535 -17.351 -26.021 1.00 52.12 ? 278 HOH B O 1 HETATM 4353 O O . HOH J 6 . ? 14.332 -6.849 30.447 1.00 45.97 ? 282 HOH B O 1 HETATM 4354 O O . HOH J 6 . ? 25.046 -10.146 19.651 1.00 53.04 ? 283 HOH B O 1 HETATM 4355 O O . HOH J 6 . ? 26.387 -27.767 -12.011 1.00 54.04 ? 285 HOH B O 1 HETATM 4356 O O . HOH J 6 . ? 22.635 -26.303 -40.596 1.00 50.78 ? 290 HOH B O 1 HETATM 4357 O O . HOH J 6 . ? 29.351 -4.727 39.007 1.00 54.60 ? 292 HOH B O 1 HETATM 4358 O O . HOH J 6 . ? 5.018 -14.049 37.706 1.00 54.94 ? 293 HOH B O 1 HETATM 4359 O O . HOH J 6 . ? 29.917 -28.300 -10.120 1.00 56.04 ? 297 HOH B O 1 HETATM 4360 O O . HOH J 6 . ? 29.914 -11.857 47.586 1.00 46.33 ? 300 HOH B O 1 HETATM 4361 O O . HOH J 6 . ? 17.761 -14.514 46.130 1.00 52.35 ? 301 HOH B O 1 HETATM 4362 O O . HOH J 6 . ? 19.942 -12.091 51.761 1.00 63.15 ? 302 HOH B O 1 HETATM 4363 O O . HOH J 6 . ? 19.643 -28.295 31.407 1.00 53.14 ? 303 HOH B O 1 HETATM 4364 O O . HOH J 6 . ? 28.091 -4.917 49.996 1.00 57.90 ? 307 HOH B O 1 HETATM 4365 O O . HOH J 6 . ? 27.161 -24.737 12.857 1.00 46.41 ? 310 HOH B O 1 HETATM 4366 O O . HOH J 6 . ? 27.677 -25.536 -44.105 1.00 50.92 ? 311 HOH B O 1 HETATM 4367 O O . HOH J 6 . ? 23.717 -20.793 -27.293 1.00 55.80 ? 315 HOH B O 1 HETATM 4368 O O . HOH J 6 . ? 11.686 -22.350 31.492 1.00 60.27 ? 318 HOH B O 1 HETATM 4369 O O . HOH J 6 . ? 29.770 -27.292 14.962 1.00 48.43 ? 319 HOH B O 1 HETATM 4370 O O . HOH J 6 . ? 31.222 -21.195 33.180 1.00 41.50 ? 320 HOH B O 1 HETATM 4371 O O . HOH J 6 . ? 33.077 -17.365 37.042 1.00 57.69 ? 324 HOH B O 1 HETATM 4372 O O . HOH J 6 . ? 20.365 -21.434 -37.374 1.00 48.87 ? 326 HOH B O 1 HETATM 4373 O O . HOH J 6 . ? 26.790 -9.054 59.830 1.00 50.32 ? 327 HOH B O 1 HETATM 4374 O O . HOH J 6 . ? 20.471 -30.340 24.316 1.00 49.82 ? 328 HOH B O 1 HETATM 4375 O O . HOH J 6 . ? 22.488 -22.573 -22.560 1.00 57.68 ? 329 HOH B O 1 HETATM 4376 O O . HOH J 6 . ? 10.108 -7.591 35.297 1.00 59.10 ? 330 HOH B O 1 HETATM 4377 O O . HOH J 6 . ? 33.210 -20.262 -3.798 1.00 49.31 ? 331 HOH B O 1 HETATM 4378 O O . HOH J 6 . ? 22.268 -25.402 -19.370 1.00 49.23 ? 332 HOH B O 1 HETATM 4379 O O . HOH J 6 . ? 7.414 -17.447 33.119 1.00 63.79 ? 336 HOH B O 1 HETATM 4380 O O . HOH J 6 . ? 23.290 -28.582 -8.152 1.00 57.83 ? 339 HOH B O 1 HETATM 4381 O O . HOH J 6 . ? 18.887 -18.258 -30.762 1.00 52.32 ? 345 HOH B O 1 HETATM 4382 O O . HOH J 6 . ? 23.972 -27.118 -1.032 1.00 52.17 ? 348 HOH B O 1 HETATM 4383 O O . HOH J 6 . ? 8.175 -18.485 20.083 1.00 53.14 ? 353 HOH B O 1 HETATM 4384 O O . HOH J 6 . ? 24.671 -8.122 30.369 1.00 49.93 ? 358 HOH B O 1 HETATM 4385 O O . HOH J 6 . ? 27.544 -8.204 13.913 1.00 52.60 ? 359 HOH B O 1 HETATM 4386 O O . HOH J 6 . ? 24.578 -11.091 -21.419 1.00 57.33 ? 360 HOH B O 1 HETATM 4387 O O . HOH J 6 . ? 35.087 -13.133 43.616 1.00 58.59 ? 362 HOH B O 1 HETATM 4388 O O . HOH J 6 . ? 30.866 -25.824 13.041 1.00 36.45 ? 363 HOH B O 1 HETATM 4389 O O . HOH J 6 . ? 32.945 -19.875 35.348 1.00 63.45 ? 364 HOH B O 1 HETATM 4390 O O . HOH J 6 . ? 35.169 -20.305 13.099 0.33 48.40 ? 365 HOH B O 1 HETATM 4391 O O . HOH J 6 . ? 25.055 -23.028 -24.260 1.00 54.75 ? 366 HOH B O 1 HETATM 4392 O O . HOH J 6 . ? 9.334 -10.637 32.688 1.00 59.19 ? 373 HOH B O 1 HETATM 4393 O O . HOH J 6 . ? 23.825 -4.276 8.662 1.00 55.44 ? 376 HOH B O 1 HETATM 4394 O O . HOH J 6 . ? 14.290 -11.792 16.064 1.00 52.28 ? 383 HOH B O 1 HETATM 4395 O O . HOH J 6 . ? 7.350 -16.673 18.205 1.00 52.16 ? 384 HOH B O 1 HETATM 4396 O O . HOH J 6 . ? 30.012 -6.987 -6.648 1.00 54.98 ? 390 HOH B O 1 HETATM 4397 O O . HOH J 6 . ? 32.366 -20.974 9.207 1.00 48.80 ? 392 HOH B O 1 HETATM 4398 O O . HOH J 6 . ? 21.315 -5.125 26.930 1.00 62.14 ? 396 HOH B O 1 HETATM 4399 O O . HOH J 6 . ? 30.088 -7.491 3.794 1.00 53.85 ? 399 HOH B O 1 HETATM 4400 O O . HOH J 6 . ? 14.841 -24.279 35.724 1.00 58.54 ? 405 HOH B O 1 HETATM 4401 O O . HOH J 6 . ? 24.417 -30.139 29.380 1.00 57.48 ? 406 HOH B O 1 HETATM 4402 O O . HOH J 6 . ? 33.622 -17.058 46.429 1.00 49.50 ? 407 HOH B O 1 HETATM 4403 O O . HOH J 6 . ? 35.457 -10.473 46.149 1.00 61.96 ? 408 HOH B O 1 HETATM 4404 O O . HOH J 6 . ? 30.992 -9.692 23.200 1.00 49.03 ? 409 HOH B O 1 HETATM 4405 O O . HOH J 6 . ? 26.483 -29.710 27.276 1.00 54.08 ? 412 HOH B O 1 HETATM 4406 O O . HOH J 6 . ? 30.939 -20.211 30.040 1.00 55.50 ? 423 HOH B O 1 HETATM 4407 O O . HOH J 6 . ? 18.051 -6.102 27.719 1.00 63.63 ? 424 HOH B O 1 HETATM 4408 O O . HOH J 6 . ? 34.452 -18.197 28.806 1.00 54.46 ? 427 HOH B O 1 HETATM 4409 O O . HOH J 6 . ? 26.616 -10.171 25.094 1.00 50.72 ? 428 HOH B O 1 HETATM 4410 O O . HOH J 6 . ? 20.439 -15.065 -23.886 1.00 57.72 ? 429 HOH B O 1 HETATM 4411 O O . HOH J 6 . ? 27.512 -27.834 14.977 1.00 47.94 ? 430 HOH B O 1 HETATM 4412 O O . HOH J 6 . ? 22.250 -3.711 40.782 1.00 54.12 ? 431 HOH B O 1 HETATM 4413 O O . HOH J 6 . ? 24.333 -8.061 25.703 1.00 47.40 ? 433 HOH B O 1 HETATM 4414 O O . HOH J 6 . ? 35.180 -20.340 7.116 0.33 66.32 ? 434 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 2527 N N . GLY B 1 ? 0.6802 0.4928 0.3619 0.0157 0.0485 0.0027 1 GLY B N 2528 C CA . GLY B 1 ? 0.5843 0.4732 0.3398 0.0192 0.0363 0.0025 1 GLY B CA 2529 C C . GLY B 1 ? 0.5639 0.4818 0.3304 0.0516 0.0267 0.0039 1 GLY B C 2530 O O . GLY B 1 ? 0.5904 0.4872 0.3254 0.0707 0.0274 0.0046 1 GLY B O 2531 N N . LEU B 2 ? 0.5189 0.4892 0.3280 0.0555 0.0182 0.0033 2 LEU B N 2532 C CA . LEU B 2 ? 0.5039 0.5168 0.3230 0.0810 0.0097 0.0021 2 LEU B CA 2533 C C . LEU B 2 ? 0.4928 0.5294 0.3243 0.0842 0.0059 0.0001 2 LEU B C 2534 O O . LEU B 2 ? 0.5022 0.5611 0.3203 0.1103 0.0015 -0.0018 2 LEU B O 2535 C CB . LEU B 2 ? 0.4690 0.5339 0.3317 0.0709 0.0036 0.0002 2 LEU B CB 2536 C CG . LEU B 2 ? 0.4648 0.5679 0.3260 0.0927 -0.0014 -0.0018 2 LEU B CG 2537 C CD1 . LEU B 2 ? 0.5015 0.5605 0.3101 0.1212 0.0027 0.0008 2 LEU B CD1 2538 C CD2 . LEU B 2 ? 0.4271 0.5629 0.3264 0.0705 -0.0039 -0.0031 2 LEU B CD2 2539 N N . PHE B 3 ? 0.4627 0.4979 0.3172 0.0600 0.0075 0.0000 3 PHE B N 2540 C CA . PHE B 3 ? 0.4540 0.5089 0.3213 0.0594 0.0041 -0.0018 3 PHE B CA 2541 C C . PHE B 3 ? 0.4909 0.5031 0.3269 0.0626 0.0102 -0.0004 3 PHE B C 2542 O O . PHE B 3 ? 0.4996 0.5234 0.3409 0.0654 0.0077 -0.0016 3 PHE B O 2543 C CB . PHE B 3 ? 0.4058 0.4894 0.3127 0.0364 0.0005 -0.0036 3 PHE B CB 2544 C CG . PHE B 3 ? 0.3810 0.5042 0.3076 0.0324 -0.0050 -0.0062 3 PHE B CG 2545 C CD1 . PHE B 3 ? 0.3741 0.5389 0.3074 0.0332 -0.0103 -0.0109 3 PHE B CD1 2546 C CD2 . PHE B 3 ? 0.3654 0.4879 0.3002 0.0258 -0.0042 -0.0050 3 PHE B CD2 2547 C CE1 . PHE B 3 ? 0.3799 0.5857 0.3265 0.0231 -0.0136 -0.0151 3 PHE B CE1 2548 C CE2 . PHE B 3 ? 0.3548 0.5121 0.3033 0.0200 -0.0080 -0.0078 3 PHE B CE2 2549 C CZ . PHE B 3 ? 0.3605 0.5602 0.3141 0.0168 -0.0123 -0.0132 3 PHE B CZ 2550 N N . GLY B 4 ? 0.5290 0.4888 0.3266 0.0596 0.0192 0.0016 4 GLY B N 2551 C CA . GLY B 4 ? 0.5801 0.4872 0.3308 0.0614 0.0275 0.0025 4 GLY B CA 2552 C C . GLY B 4 ? 0.5708 0.4780 0.3353 0.0370 0.0321 0.0009 4 GLY B C 2553 O O . GLY B 4 ? 0.6235 0.4911 0.3494 0.0380 0.0388 0.0011 4 GLY B O 2554 N N . ALA B 5 ? 0.5130 0.4621 0.3259 0.0182 0.0289 -0.0010 5 ALA B N 2555 C CA . ALA B 5 ? 0.5039 0.4634 0.3301 0.0004 0.0326 -0.0035 5 ALA B CA 2556 C C . ALA B 5 ? 0.5122 0.4669 0.3301 -0.0268 0.0425 -0.0072 5 ALA B C 2557 O O . ALA B 5 ? 0.5501 0.4825 0.3392 -0.0425 0.0522 -0.0098 5 ALA B O 2558 C CB . ALA B 5 ? 0.4485 0.4535 0.3199 0.0024 0.0233 -0.0043 5 ALA B CB 2559 N N . ILE B 6 ? 0.4856 0.4655 0.3268 -0.0346 0.0404 -0.0085 6 ILE B N 2560 C CA . ILE B 6 ? 0.4986 0.4892 0.3354 -0.0614 0.0488 -0.0140 6 ILE B CA 2561 C C . ILE B 6 ? 0.5583 0.4901 0.3379 -0.0755 0.0601 -0.0143 6 ILE B C 2562 O O . ILE B 6 ? 0.5724 0.4696 0.3306 -0.0586 0.0579 -0.0097 6 ILE B O 2563 C CB . ILE B 6 ? 0.4572 0.4907 0.3319 -0.0610 0.0423 -0.0153 6 ILE B CB 2564 C CG1 . ILE B 6 ? 0.4110 0.4869 0.3230 -0.0477 0.0337 -0.0158 6 ILE B CG1 2565 C CG2 . ILE B 6 ? 0.4736 0.5228 0.3398 -0.0888 0.0511 -0.0223 6 ILE B CG2 2566 C CD1 . ILE B 6 ? 0.3994 0.5038 0.3374 -0.0405 0.0268 -0.0160 6 ILE B CD1 2567 N N . ALA B 7 ? 0.5928 0.5125 0.3415 -0.1070 0.0730 -0.0206 7 ALA B N 2568 C CA . ALA B 7 ? 0.6718 0.5147 0.3446 -0.1259 0.0872 -0.0215 7 ALA B CA 2569 C C . ALA B 7 ? 0.7153 0.4902 0.3423 -0.0932 0.0856 -0.0138 7 ALA B C 2570 O O . ALA B 7 ? 0.7840 0.4845 0.3436 -0.0888 0.0927 -0.0114 7 ALA B O 2571 C CB . ALA B 7 ? 0.7005 0.5279 0.3541 -0.1430 0.0918 -0.0237 7 ALA B CB 2572 N N . GLY B 8 ? 0.6855 0.4861 0.3438 -0.0683 0.0764 -0.0106 8 GLY B N 2573 C CA . GLY B 8 ? 0.7127 0.4724 0.3392 -0.0315 0.0719 -0.0047 8 GLY B CA 2574 C C . GLY B 8 ? 0.7344 0.4794 0.3439 -0.0329 0.0759 -0.0053 8 GLY B C 2575 O O . GLY B 8 ? 0.7873 0.4923 0.3509 -0.0621 0.0900 -0.0091 8 GLY B O 2576 N N . PHE B 9 ? 0.6986 0.4772 0.3424 -0.0056 0.0645 -0.0027 9 PHE B N 2577 C CA . PHE B 9 ? 0.7136 0.4807 0.3441 -0.0049 0.0674 -0.0031 9 PHE B CA 2578 C C . PHE B 9 ? 0.6820 0.4933 0.3495 -0.0376 0.0716 -0.0084 9 PHE B C 2579 O O . PHE B 9 ? 0.7046 0.4982 0.3481 -0.0512 0.0799 -0.0108 9 PHE B O 2580 C CB . PHE B 9 ? 0.6882 0.4806 0.3402 0.0311 0.0546 -0.0002 9 PHE B CB 2581 C CG . PHE B 9 ? 0.6149 0.4826 0.3415 0.0309 0.0424 -0.0012 9 PHE B CG 2582 C CD1 . PHE B 9 ? 0.5987 0.4946 0.3546 0.0196 0.0414 -0.0032 9 PHE B CD1 2583 C CD2 . PHE B 9 ? 0.5842 0.4878 0.3420 0.0428 0.0327 -0.0006 9 PHE B CD2 2584 C CE1 . PHE B 9 ? 0.5386 0.4856 0.3453 0.0209 0.0315 -0.0040 9 PHE B CE1 2585 C CE2 . PHE B 9 ? 0.5540 0.5109 0.3643 0.0387 0.0236 -0.0019 9 PHE B CE2 2586 C CZ . PHE B 9 ? 0.5110 0.4838 0.3415 0.0285 0.0231 -0.0034 9 PHE B CZ 2587 N N . ILE B 10 ? 0.6299 0.5001 0.3515 -0.0474 0.0661 -0.0108 10 ILE B N 2588 C CA . ILE B 10 ? 0.6170 0.5342 0.3643 -0.0746 0.0710 -0.0176 10 ILE B CA 2589 C C . ILE B 10 ? 0.6546 0.5590 0.3733 -0.1074 0.0829 -0.0230 10 ILE B C 2590 O O . ILE B 10 ? 0.6316 0.5619 0.3739 -0.1096 0.0791 -0.0238 10 ILE B O 2591 C CB . ILE B 10 ? 0.5491 0.5346 0.3602 -0.0615 0.0587 -0.0181 10 ILE B CB 2592 C CG1 . ILE B 10 ? 0.5361 0.5206 0.3617 -0.0347 0.0485 -0.0133 10 ILE B CG1 2593 C CG2 . ILE B 10 ? 0.5251 0.5633 0.3540 -0.0801 0.0637 -0.0260 10 ILE B CG2 2594 C CD1 . ILE B 10 ? 0.4896 0.5153 0.3574 -0.0212 0.0373 -0.0128 10 ILE B CD1 2595 N N . GLU B 11 ? 0.7264 0.5864 0.3881 -0.1354 0.0983 -0.0272 11 GLU B N 2596 C CA . GLU B 11 ? 0.7914 0.6113 0.3983 -0.1731 0.1135 -0.0327 11 GLU B CA 2597 C C . GLU B 11 ? 0.7574 0.6497 0.3999 -0.2036 0.1158 -0.0421 11 GLU B C 2598 O O . GLU B 11 ? 0.7862 0.6552 0.4028 -0.2216 0.1213 -0.0442 11 GLU B O 2599 C CB . GLU B 11 ? 0.8728 0.6362 0.4087 -0.2048 0.1312 -0.0374 11 GLU B CB 2600 C CG . GLU B 11 ? 0.9772 0.6329 0.4362 -0.1822 0.1354 -0.0295 11 GLU B CG 2601 C CD . GLU B 11 ? 1.1257 0.7008 0.4883 -0.2253 0.1578 -0.0354 11 GLU B CD 2602 O OE1 . GLU B 11 ? 1.1633 0.7204 0.5050 -0.2265 0.1627 -0.0357 11 GLU B OE1 2603 O OE2 . GLU B 11 ? 1.2009 0.7286 0.5047 -0.2615 0.1716 -0.0405 11 GLU B OE2 2604 N N . GLY B 12 ? 0.7024 0.6826 0.3984 -0.2075 0.1120 -0.0485 12 GLY B N 2605 C CA . GLY B 12 ? 0.6765 0.7391 0.4037 -0.2324 0.1142 -0.0596 12 GLY B CA 2606 C C . GLY B 12 ? 0.6010 0.7526 0.3995 -0.2010 0.0993 -0.0603 12 GLY B C 2607 O O . GLY B 12 ? 0.5743 0.7273 0.3955 -0.1686 0.0898 -0.0540 12 GLY B O 2608 N N . GLY B 13 ? 0.5772 0.7992 0.4032 -0.2099 0.0978 -0.0685 13 GLY B N 2609 C CA . GLY B 13 ? 0.5229 0.8267 0.4021 -0.1778 0.0853 -0.0708 13 GLY B CA 2610 C C . GLY B 13 ? 0.5180 0.9079 0.4081 -0.1887 0.0905 -0.0837 13 GLY B C 2611 O O . GLY B 13 ? 0.5521 0.9550 0.4131 -0.2331 0.1057 -0.0939 13 GLY B O 2612 N N . TRP B 14 ? 0.4840 0.9304 0.4091 -0.1481 0.0787 -0.0838 14 TRP B N 2613 C CA . TRP B 14 ? 0.4819 1.0187 0.4190 -0.1448 0.0812 -0.0958 14 TRP B CA 2614 C C . TRP B 14 ? 0.4744 1.1203 0.4352 -0.1361 0.0780 -0.1090 14 TRP B C 2615 O O . TRP B 14 ? 0.4594 1.1193 0.4383 -0.0903 0.0648 -0.1048 14 TRP B O 2616 C CB . TRP B 14 ? 0.4575 0.9785 0.4044 -0.0990 0.0708 -0.0877 14 TRP B CB 2617 C CG . TRP B 14 ? 0.4685 0.9086 0.3946 -0.1058 0.0741 -0.0784 14 TRP B CG 2618 C CD1 . TRP B 14 ? 0.4994 0.8987 0.3938 -0.1472 0.0878 -0.0800 14 TRP B CD1 2619 C CD2 . TRP B 14 ? 0.4594 0.8479 0.3875 -0.0699 0.0641 -0.0669 14 TRP B CD2 2620 N NE1 . TRP B 14 ? 0.5025 0.8319 0.3824 -0.1339 0.0858 -0.0698 14 TRP B NE1 2621 C CE2 . TRP B 14 ? 0.4764 0.8035 0.3802 -0.0888 0.0712 -0.0622 14 TRP B CE2 2622 C CE3 . TRP B 14 ? 0.4498 0.8323 0.3897 -0.0253 0.0507 -0.0608 14 TRP B CE3 2623 C CZ2 . TRP B 14 ? 0.4629 0.7368 0.3627 -0.0646 0.0643 -0.0524 14 TRP B CZ2 2624 C CZ3 . TRP B 14 ? 0.4527 0.7755 0.3839 -0.0071 0.0452 -0.0513 14 TRP B CZ3 2625 C CH2 . TRP B 14 ? 0.4512 0.7274 0.3670 -0.0268 0.0515 -0.0476 14 TRP B CH2 2626 N N . GLN B 15 ? 0.5019 1.2240 0.4561 -0.1811 0.0909 -0.1258 15 GLN B N 2627 C CA . GLN B 15 ? 0.5019 1.3558 0.4785 -0.1751 0.0892 -0.1428 15 GLN B CA 2628 C C . GLN B 15 ? 0.4884 1.4194 0.4836 -0.1210 0.0797 -0.1470 15 GLN B C 2629 O O . GLN B 15 ? 0.4752 1.4881 0.4870 -0.0819 0.0705 -0.1542 15 GLN B O 2630 C CB . GLN B 15 ? 0.5313 1.4576 0.4913 -0.2444 0.1076 -0.1627 15 GLN B CB 2631 C CG . GLN B 15 ? 0.5818 1.4296 0.5088 -0.2995 0.1189 -0.1608 15 GLN B CG 2632 C CD . GLN B 15 ? 0.5892 1.5051 0.5290 -0.3117 0.1177 -0.1714 15 GLN B CD 2633 O OE1 . GLN B 15 ? 0.5949 1.6487 0.5537 -0.3194 0.1194 -0.1909 15 GLN B OE1 2634 N NE2 . GLN B 15 ? 0.6011 1.4282 0.5300 -0.3128 0.1147 -0.1597 15 GLN B NE2 2635 N N . GLY B 16 ? 0.5033 1.4039 0.4894 -0.1159 0.0820 -0.1426 16 GLY B N 2636 C CA . GLY B 16 ? 0.5051 1.4669 0.4996 -0.0656 0.0745 -0.1461 16 GLY B CA 2637 C C . GLY B 16 ? 0.5052 1.4025 0.4978 0.0022 0.0578 -0.1308 16 GLY B C 2638 O O . GLY B 16 ? 0.5150 1.4523 0.5035 0.0514 0.0508 -0.1332 16 GLY B O 2639 N N . MET B 17 ? 0.5089 1.3031 0.4972 0.0041 0.0523 -0.1157 17 MET B N 2640 C CA . MET B 17 ? 0.5221 1.2561 0.5009 0.0600 0.0382 -0.1034 17 MET B CA 2641 C C . MET B 17 ? 0.5167 1.2830 0.4997 0.0824 0.0312 -0.1064 17 MET B C 2642 O O . MET B 17 ? 0.5074 1.2313 0.4962 0.0592 0.0316 -0.1012 17 MET B O 2643 C CB . MET B 17 ? 0.5190 1.1265 0.4878 0.0521 0.0358 -0.0860 17 MET B CB 2644 C CG . MET B 17 ? 0.5327 1.0782 0.4824 0.1014 0.0237 -0.0755 17 MET B CG 2645 S SD . MET B 17 ? 0.5646 0.9851 0.5040 0.0882 0.0213 -0.0588 17 MET B SD 2646 C CE . MET B 17 ? 0.5054 0.9065 0.4608 0.0544 0.0235 -0.0560 17 MET B CE 2647 N N . VAL B 18 ? 0.5341 1.3741 0.5093 0.1326 0.0245 -0.1149 18 VAL B N 2648 C CA . VAL B 18 ? 0.5381 1.4384 0.5155 0.1569 0.0189 -0.1223 18 VAL B CA 2649 C C . VAL B 18 ? 0.5616 1.3828 0.5074 0.2124 0.0068 -0.1106 18 VAL B C 2650 O O . VAL B 18 ? 0.5622 1.4014 0.5071 0.2259 0.0024 -0.1128 18 VAL B O 2651 C CB . VAL B 18 ? 0.5426 1.5983 0.5271 0.1786 0.0198 -0.1433 18 VAL B CB 2652 C CG1 . VAL B 18 ? 0.5306 1.6773 0.5439 0.1089 0.0335 -0.1588 18 VAL B CG1 2653 C CG2 . VAL B 18 ? 0.5665 1.6386 0.5301 0.2246 0.0168 -0.1445 18 VAL B CG2 2654 N N . ASP B 19 ? 0.5877 1.3184 0.5021 0.2412 0.0025 -0.0988 19 ASP B N 2655 C CA . ASP B 19 ? 0.6344 1.2858 0.5008 0.2945 -0.0070 -0.0898 19 ASP B CA 2656 C C . ASP B 19 ? 0.6310 1.1484 0.4828 0.2737 -0.0082 -0.0733 19 ASP B C 2657 O O . ASP B 19 ? 0.6813 1.1097 0.4829 0.3056 -0.0128 -0.0648 19 ASP B O 2658 C CB . ASP B 19 ? 0.6919 1.3483 0.5113 0.3574 -0.0118 -0.0924 19 ASP B CB 2659 C CG . ASP B 19 ? 0.7239 1.3287 0.5372 0.3446 -0.0084 -0.0861 19 ASP B CG 2660 O OD1 . ASP B 19 ? 0.7335 1.3179 0.5833 0.2879 -0.0020 -0.0820 19 ASP B OD1 2661 O OD2 . ASP B 19 ? 0.7975 1.3791 0.5630 0.3955 -0.0123 -0.0856 19 ASP B OD2 2662 N N . GLY B 20 ? 0.5771 1.0819 0.4665 0.2201 -0.0034 -0.0699 20 GLY B N 2663 C CA . GLY B 20 ? 0.5616 0.9623 0.4426 0.1999 -0.0045 -0.0568 20 GLY B CA 2664 C C . GLY B 20 ? 0.5062 0.9056 0.4269 0.1448 0.0017 -0.0548 20 GLY B C 2665 O O . GLY B 20 ? 0.4809 0.9453 0.4284 0.1176 0.0084 -0.0628 20 GLY B O 2666 N N . TRP B 21 ? 0.4920 0.8152 0.4088 0.1286 0.0003 -0.0447 21 TRP B N 2667 C CA . TRP B 21 ? 0.4505 0.7625 0.3944 0.0857 0.0053 -0.0419 21 TRP B CA 2668 C C . TRP B 21 ? 0.4315 0.7127 0.3793 0.0641 0.0094 -0.0379 21 TRP B C 2669 O O . TRP B 21 ? 0.4087 0.6969 0.3707 0.0331 0.0159 -0.0390 21 TRP B O 2670 C CB . TRP B 21 ? 0.4585 0.7165 0.3974 0.0811 0.0017 -0.0344 21 TRP B CB 2671 C CG . TRP B 21 ? 0.4555 0.7469 0.4017 0.0851 0.0003 -0.0384 21 TRP B CG 2672 C CD1 . TRP B 21 ? 0.4557 0.8186 0.4230 0.0721 0.0043 -0.0476 21 TRP B CD1 2673 C CD2 . TRP B 21 ? 0.4804 0.7342 0.4094 0.0992 -0.0046 -0.0340 21 TRP B CD2 2674 N NE1 . TRP B 21 ? 0.4626 0.8379 0.4303 0.0807 0.0011 -0.0490 21 TRP B NE1 2675 C CE2 . TRP B 21 ? 0.4754 0.7818 0.4195 0.0987 -0.0044 -0.0402 21 TRP B CE2 2676 C CE3 . TRP B 21 ? 0.5153 0.6954 0.4133 0.1082 -0.0080 -0.0264 21 TRP B CE3 2677 C CZ2 . TRP B 21 ? 0.4791 0.7646 0.4099 0.1122 -0.0085 -0.0379 21 TRP B CZ2 2678 C CZ3 . TRP B 21 ? 0.5265 0.6826 0.4070 0.1178 -0.0109 -0.0246 21 TRP B CZ3 2679 C CH2 . TRP B 21 ? 0.5140 0.7215 0.4121 0.1219 -0.0115 -0.0297 21 TRP B CH2 2680 N N . TYR B 22 ? 0.4464 0.6861 0.3737 0.0811 0.0060 -0.0333 22 TYR B N 2681 C CA . TYR B 22 ? 0.4401 0.6483 0.3684 0.0649 0.0086 -0.0293 22 TYR B CA 2682 C C . TYR B 22 ? 0.4613 0.6720 0.3715 0.0874 0.0075 -0.0310 22 TYR B C 2683 O O . TYR B 22 ? 0.4837 0.6906 0.3685 0.1195 0.0031 -0.0322 22 TYR B O 2684 C CB . TYR B 22 ? 0.4419 0.5877 0.3618 0.0565 0.0051 -0.0213 22 TYR B CB 2685 C CG . TYR B 22 ? 0.4300 0.5628 0.3533 0.0509 0.0028 -0.0189 22 TYR B CG 2686 C CD1 . TYR B 22 ? 0.4052 0.5568 0.3497 0.0315 0.0062 -0.0196 22 TYR B CD1 2687 C CD2 . TYR B 22 ? 0.4569 0.5512 0.3546 0.0634 -0.0019 -0.0162 22 TYR B CD2 2688 C CE1 . TYR B 22 ? 0.3958 0.5367 0.3435 0.0275 0.0040 -0.0174 22 TYR B CE1 2689 C CE2 . TYR B 22 ? 0.4516 0.5344 0.3508 0.0566 -0.0034 -0.0144 22 TYR B CE2 2690 C CZ . TYR B 22 ? 0.4244 0.5350 0.3529 0.0399 -0.0010 -0.0148 22 TYR B CZ 2691 O OH . TYR B 22 ? 0.4270 0.5284 0.3578 0.0342 -0.0024 -0.0131 22 TYR B OH 2692 N N . GLY B 23 ? 0.4576 0.6693 0.3739 0.0733 0.0119 -0.0311 23 GLY B N 2693 C CA . GLY B 23 ? 0.4729 0.6863 0.3726 0.0932 0.0112 -0.0326 23 GLY B CA 2694 C C . GLY B 23 ? 0.4659 0.6850 0.3737 0.0747 0.0172 -0.0334 23 GLY B C 2695 O O . GLY B 23 ? 0.4539 0.6463 0.3691 0.0497 0.0203 -0.0297 23 GLY B O 2696 N N . TYR B 24 ? 0.4808 0.7349 0.3817 0.0909 0.0188 -0.0386 24 TYR B N 2697 C CA . TYR B 24 ? 0.4889 0.7381 0.3882 0.0808 0.0234 -0.0387 24 TYR B CA 2698 C C . TYR B 24 ? 0.4886 0.8134 0.3982 0.0719 0.0316 -0.0490 24 TYR B C 2699 O O . TYR B 24 ? 0.4895 0.8803 0.4028 0.0888 0.0312 -0.0573 24 TYR B O 2700 C CB . TYR B 24 ? 0.5142 0.7226 0.3866 0.1091 0.0175 -0.0347 24 TYR B CB 2701 C CG . TYR B 24 ? 0.5377 0.6762 0.3892 0.1154 0.0105 -0.0273 24 TYR B CG 2702 C CD1 . TYR B 24 ? 0.5452 0.6384 0.3991 0.0938 0.0096 -0.0217 24 TYR B CD1 2703 C CD2 . TYR B 24 ? 0.5527 0.6722 0.3759 0.1427 0.0053 -0.0270 24 TYR B CD2 2704 C CE1 . TYR B 24 ? 0.5510 0.5919 0.3848 0.0924 0.0045 -0.0174 24 TYR B CE1 2705 C CE2 . TYR B 24 ? 0.5825 0.6332 0.3775 0.1406 0.0011 -0.0215 24 TYR B CE2 2706 C CZ . TYR B 24 ? 0.5880 0.6051 0.3914 0.1119 0.0010 -0.0174 24 TYR B CZ 2707 O OH . TYR B 24 ? 0.6207 0.5822 0.3964 0.1027 -0.0019 -0.0144 24 TYR B OH 2708 N N . HIS B 25 ? 0.4951 0.8124 0.4053 0.0443 0.0397 -0.0496 25 HIS B N 2709 C CA . HIS B 25 ? 0.5054 0.8843 0.4166 0.0341 0.0484 -0.0593 25 HIS B CA 2710 C C . HIS B 25 ? 0.5217 0.8566 0.4191 0.0390 0.0486 -0.0541 25 HIS B C 2711 O O . HIS B 25 ? 0.5321 0.8046 0.4217 0.0223 0.0500 -0.0469 25 HIS B O 2712 C CB . HIS B 25 ? 0.5067 0.9117 0.4199 -0.0133 0.0614 -0.0664 25 HIS B CB 2713 C CG . HIS B 25 ? 0.5160 0.9873 0.4256 -0.0332 0.0726 -0.0783 25 HIS B CG 2714 N ND1 . HIS B 25 ? 0.5240 1.1011 0.4460 -0.0364 0.0766 -0.0929 25 HIS B ND1 2715 C CD2 . HIS B 25 ? 0.5412 0.9942 0.4346 -0.0509 0.0810 -0.0789 25 HIS B CD2 2716 C CE1 . HIS B 25 ? 0.5262 1.1518 0.4411 -0.0590 0.0876 -0.1027 25 HIS B CE1 2717 N NE2 . HIS B 25 ? 0.5425 1.0887 0.4387 -0.0682 0.0906 -0.0938 25 HIS B NE2 2718 N N . HIS B 26 ? 0.5347 0.9039 0.4262 0.0662 0.0466 -0.0580 26 HIS B N 2719 C CA . HIS B 26 ? 0.5548 0.8900 0.4324 0.0730 0.0468 -0.0543 26 HIS B CA 2720 C C . HIS B 26 ? 0.5679 0.9622 0.4468 0.0527 0.0585 -0.0640 26 HIS B C 2721 O O . HIS B 26 ? 0.5624 1.0407 0.4518 0.0421 0.0648 -0.0757 26 HIS B O 2722 C CB . HIS B 26 ? 0.5661 0.8825 0.4246 0.1194 0.0368 -0.0512 26 HIS B CB 2723 C CG . HIS B 26 ? 0.5774 0.9728 0.4313 0.1501 0.0372 -0.0611 26 HIS B CG 2724 N ND1 . HIS B 26 ? 0.5578 1.0032 0.4120 0.1751 0.0333 -0.0668 26 HIS B ND1 2725 C CD2 . HIS B 26 ? 0.5746 1.0150 0.4219 0.1632 0.0409 -0.0674 26 HIS B CD2 2726 C CE1 . HIS B 26 ? 0.5736 1.0960 0.4207 0.2055 0.0340 -0.0766 26 HIS B CE1 2727 N NE2 . HIS B 26 ? 0.5998 1.1221 0.4439 0.1979 0.0389 -0.0773 26 HIS B NE2 2728 N N . SER B 27 ? 0.5859 0.9401 0.4521 0.0458 0.0616 -0.0601 27 SER B N 2729 C CA . SER B 27 ? 0.6067 1.0066 0.4679 0.0249 0.0734 -0.0687 27 SER B CA 2730 C C . SER B 27 ? 0.6218 0.9823 0.4686 0.0444 0.0704 -0.0633 27 SER B C 2731 O O . SER B 27 ? 0.6287 0.9117 0.4645 0.0395 0.0679 -0.0538 27 SER B O 2732 C CB . SER B 27 ? 0.6208 0.9977 0.4706 -0.0269 0.0868 -0.0707 27 SER B CB 2733 O OG . SER B 27 ? 0.6545 1.0944 0.4966 -0.0574 0.1012 -0.0832 27 SER B OG 2734 N N . ASN B 28 ? 0.6331 1.0517 0.4785 0.0692 0.0702 -0.0701 28 ASN B N 2735 C CA . ASN B 28 ? 0.6532 1.0409 0.4825 0.0878 0.0683 -0.0662 28 ASN B CA 2736 C C . ASN B 28 ? 0.6677 1.1423 0.4966 0.0916 0.0763 -0.0782 28 ASN B C 2737 O O . ASN B 28 ? 0.6628 1.2262 0.5045 0.0711 0.0850 -0.0907 28 ASN B O 2738 C CB . ASN B 28 ? 0.6581 0.9875 0.4721 0.1318 0.0540 -0.0572 28 ASN B CB 2739 C CG . ASN B 28 ? 0.6602 1.0370 0.4671 0.1747 0.0475 -0.0622 28 ASN B CG 2740 O OD1 . ASN B 28 ? 0.6561 1.1273 0.4742 0.1793 0.0524 -0.0737 28 ASN B OD1 2741 N ND2 . ASN B 28 ? 0.6744 0.9859 0.4561 0.2061 0.0369 -0.0546 28 ASN B ND2 2742 N N . ASP B 29 ? 0.6892 1.1443 0.5026 0.1156 0.0739 -0.0756 29 ASP B N 2743 C CA . ASP B 29 ? 0.7099 1.2495 0.5212 0.1238 0.0810 -0.0869 29 ASP B CA 2744 C C . ASP B 29 ? 0.7107 1.3569 0.5293 0.1588 0.0780 -0.0988 29 ASP B C 2745 O O . ASP B 29 ? 0.7103 1.4651 0.5398 0.1444 0.0878 -0.1136 29 ASP B O 2746 C CB . ASP B 29 ? 0.7326 1.2241 0.5221 0.1527 0.0765 -0.0807 29 ASP B CB 2747 C CG . ASP B 29 ? 0.7572 1.1851 0.5391 0.1157 0.0838 -0.0750 29 ASP B CG 2748 O OD1 . ASP B 29 ? 0.7730 1.1968 0.5590 0.0684 0.0946 -0.0771 29 ASP B OD1 2749 O OD2 . ASP B 29 ? 0.7882 1.1651 0.5527 0.1358 0.0792 -0.0687 29 ASP B OD2 2750 N N . GLN B 30 ? 0.7217 1.3380 0.5290 0.2046 0.0650 -0.0931 30 GLN B N 2751 C CA . GLN B 30 ? 0.7303 1.4346 0.5332 0.2513 0.0600 -0.1030 30 GLN B CA 2752 C C . GLN B 30 ? 0.7041 1.5015 0.5372 0.2217 0.0659 -0.1147 30 GLN B C 2753 O O . GLN B 30 ? 0.7096 1.6225 0.5475 0.2482 0.0659 -0.1287 30 GLN B O 2754 C CB . GLN B 30 ? 0.7595 1.3811 0.5275 0.3045 0.0459 -0.0925 30 GLN B CB 2755 C CG . GLN B 30 ? 0.8019 1.3623 0.5256 0.3493 0.0401 -0.0866 30 GLN B CG 2756 C CD . GLN B 30 ? 0.8403 1.2653 0.5260 0.3638 0.0308 -0.0722 30 GLN B CD 2757 O OE1 . GLN B 30 ? 0.8290 1.1781 0.5253 0.3240 0.0313 -0.0631 30 GLN B OE1 2758 N NE2 . GLN B 30 ? 0.8995 1.2933 0.5333 0.4213 0.0228 -0.0711 30 GLN B NE2 2759 N N . GLY B 31 ? 0.6831 1.4319 0.5328 0.1691 0.0707 -0.1095 31 GLY B N 2760 C CA . GLY B 31 ? 0.6594 1.4804 0.5326 0.1316 0.0778 -0.1199 31 GLY B CA 2761 C C . GLY B 31 ? 0.6447 1.3810 0.5230 0.1106 0.0740 -0.1089 31 GLY B C 2762 O O . GLY B 31 ? 0.6502 1.2757 0.5183 0.1054 0.0701 -0.0946 31 GLY B O 2763 N N . SER B 32 ? 0.6270 1.4236 0.5212 0.0994 0.0750 -0.1168 32 SER B N 2764 C CA . SER B 32 ? 0.6102 1.3410 0.5107 0.0767 0.0728 -0.1085 32 SER B CA 2765 C C . SER B 32 ? 0.6003 1.3869 0.5107 0.1036 0.0653 -0.1138 32 SER B C 2766 O O . SER B 32 ? 0.6061 1.4928 0.5177 0.1382 0.0629 -0.1257 32 SER B O 2767 C CB . SER B 32 ? 0.6135 1.3333 0.5156 0.0069 0.0879 -0.1120 32 SER B CB 2768 O OG . SER B 32 ? 0.6035 1.4407 0.5135 -0.0258 0.1001 -0.1309 32 SER B OG 2769 N N . GLY B 33 ? 0.5885 1.3120 0.5031 0.0915 0.0614 -0.1052 33 GLY B N 2770 C CA . GLY B 33 ? 0.5756 1.3374 0.4971 0.1151 0.0543 -0.1086 33 GLY B CA 2771 C C . GLY B 33 ? 0.5674 1.2305 0.4861 0.1146 0.0470 -0.0947 33 GLY B C 2772 O O . GLY B 33 ? 0.5712 1.1340 0.4787 0.1118 0.0439 -0.0815 33 GLY B O 2773 N N . TYR B 34 ? 0.5551 1.2559 0.4838 0.1175 0.0443 -0.0991 34 TYR B N 2774 C CA . TYR B 34 ? 0.5446 1.1677 0.4716 0.1180 0.0377 -0.0880 34 TYR B CA 2775 C C . TYR B 34 ? 0.5711 1.1584 0.4716 0.1766 0.0253 -0.0822 34 TYR B C 2776 O O . TYR B 34 ? 0.5915 1.2407 0.4776 0.2208 0.0215 -0.0901 34 TYR B O 2777 C CB . TYR B 34 ? 0.5167 1.1942 0.4640 0.0878 0.0422 -0.0959 34 TYR B CB 2778 C CG . TYR B 34 ? 0.5012 1.1961 0.4584 0.0244 0.0564 -0.1020 34 TYR B CG 2779 C CD1 . TYR B 34 ? 0.4896 1.0918 0.4405 -0.0099 0.0602 -0.0916 34 TYR B CD1 2780 C CD2 . TYR B 34 ? 0.4959 1.2995 0.4604 -0.0016 0.0669 -0.1194 34 TYR B CD2 2781 C CE1 . TYR B 34 ? 0.4947 1.0939 0.4368 -0.0653 0.0745 -0.0967 34 TYR B CE1 2782 C CE2 . TYR B 34 ? 0.4991 1.3043 0.4573 -0.0663 0.0824 -0.1258 34 TYR B CE2 2783 C CZ . TYR B 34 ? 0.5150 1.2086 0.4572 -0.0963 0.0863 -0.1136 34 TYR B CZ 2784 O OH . TYR B 34 ? 0.5386 1.2137 0.4574 -0.1568 0.1026 -0.1192 34 TYR B OH 2785 N N . ALA B 35 ? 0.5846 1.0709 0.4718 0.1771 0.0198 -0.0691 35 ALA B N 2786 C CA . ALA B 35 ? 0.6206 1.0542 0.4710 0.2223 0.0102 -0.0635 35 ALA B CA 2787 C C . ALA B 35 ? 0.6169 0.9783 0.4695 0.2010 0.0076 -0.0542 35 ALA B C 2788 O O . ALA B 35 ? 0.5975 0.9093 0.4638 0.1653 0.0102 -0.0473 35 ALA B O 2789 C CB . ALA B 35 ? 0.6599 1.0291 0.4675 0.2542 0.0065 -0.0578 35 ALA B CB 2790 N N . ALA B 36 ? 0.6367 0.9977 0.4738 0.2254 0.0027 -0.0548 36 ALA B N 2791 C CA . ALA B 36 ? 0.6395 0.9362 0.4740 0.2093 0.0001 -0.0469 36 ALA B CA 2792 C C . ALA B 36 ? 0.6792 0.8705 0.4723 0.2144 -0.0032 -0.0370 36 ALA B C 2793 O O . ALA B 36 ? 0.7249 0.8834 0.4732 0.2472 -0.0054 -0.0365 36 ALA B O 2794 C CB . ALA B 36 ? 0.6561 0.9789 0.4773 0.2379 -0.0041 -0.0508 36 ALA B CB 2795 N N . ASP B 37 ? 0.6686 0.8096 0.4725 0.1810 -0.0029 -0.0303 37 ASP B N 2796 C CA . ASP B 37 ? 0.7157 0.7652 0.4765 0.1798 -0.0053 -0.0235 37 ASP B CA 2797 C C . ASP B 37 ? 0.7600 0.7728 0.4809 0.2009 -0.0083 -0.0225 37 ASP B C 2798 O O . ASP B 37 ? 0.7256 0.7590 0.4719 0.1873 -0.0085 -0.0226 37 ASP B O 2799 C CB . ASP B 37 ? 0.6853 0.7114 0.4735 0.1369 -0.0038 -0.0189 37 ASP B CB 2800 C CG . ASP B 37 ? 0.7327 0.6796 0.4772 0.1277 -0.0052 -0.0148 37 ASP B CG 2801 O OD1 . ASP B 37 ? 0.7528 0.6695 0.4679 0.1360 -0.0050 -0.0146 37 ASP B OD1 2802 O OD2 . ASP B 37 ? 0.7351 0.6524 0.4728 0.1090 -0.0057 -0.0127 37 ASP B OD2 2803 N N . LYS B 38 ? 0.8366 0.7892 0.4878 0.2358 -0.0101 -0.0217 38 LYS B N 2804 C CA . LYS B 38 ? 0.9053 0.8117 0.4994 0.2655 -0.0122 -0.0212 38 LYS B CA 2805 C C . LYS B 38 ? 0.9225 0.7553 0.4952 0.2318 -0.0107 -0.0161 38 LYS B C 2806 O O . LYS B 38 ? 0.9233 0.7558 0.4935 0.2346 -0.0116 -0.0159 38 LYS B O 2807 C CB . LYS B 38 ? 1.0012 0.8486 0.5088 0.3168 -0.0133 -0.0217 38 LYS B CB 2808 C CG . LYS B 38 ? 1.0185 0.9512 0.5378 0.3632 -0.0156 -0.0289 38 LYS B CG 2809 C CD . LYS B 38 ? 1.0433 1.0504 0.5754 0.3960 -0.0189 -0.0352 38 LYS B CD 2810 C CE . LYS B 38 ? 1.0478 1.1650 0.5993 0.4363 -0.0207 -0.0454 38 LYS B CE 2811 N NZ . LYS B 38 ? 1.1109 1.1851 0.5964 0.4811 -0.0215 -0.0453 38 LYS B NZ 2812 N N . GLU B 39 ? 0.9367 0.7142 0.4936 0.1990 -0.0082 -0.0130 39 GLU B N 2813 C CA . GLU B 39 ? 0.9662 0.6813 0.4975 0.1623 -0.0056 -0.0105 39 GLU B CA 2814 C C . GLU B 39 ? 0.8821 0.6558 0.4851 0.1301 -0.0061 -0.0102 39 GLU B C 2815 O O . GLU B 39 ? 0.8981 0.6463 0.4836 0.1221 -0.0054 -0.0093 39 GLU B O 2816 C CB . GLU B 39 ? 1.0046 0.6658 0.5061 0.1313 -0.0026 -0.0100 39 GLU B CB 2817 C CG . GLU B 39 ? 1.0773 0.6838 0.5474 0.0865 0.0013 -0.0102 39 GLU B CG 2818 C CD . GLU B 39 ? 1.2167 0.7271 0.5991 0.0692 0.0063 -0.0116 39 GLU B CD 2819 O OE1 . GLU B 39 ? 1.2234 0.7421 0.6148 0.0616 0.0060 -0.0127 39 GLU B OE1 2820 O OE2 . GLU B 39 ? 1.3177 0.7395 0.6165 0.0604 0.0114 -0.0121 39 GLU B OE2 2821 N N . SER B 40 ? 0.7977 0.6426 0.4727 0.1136 -0.0068 -0.0108 40 SER B N 2822 C CA . SER B 40 ? 0.7284 0.6198 0.4612 0.0865 -0.0068 -0.0103 40 SER B CA 2823 C C . SER B 40 ? 0.6961 0.6296 0.4515 0.1031 -0.0080 -0.0116 40 SER B C 2824 O O . SER B 40 ? 0.6690 0.6097 0.4433 0.0862 -0.0079 -0.0106 40 SER B O 2825 C CB . SER B 40 ? 0.6696 0.6086 0.4554 0.0679 -0.0061 -0.0105 40 SER B CB 2826 O OG . SER B 40 ? 0.6700 0.6539 0.4769 0.0867 -0.0055 -0.0128 40 SER B OG 2827 N N . THR B 41 ? 0.6932 0.6615 0.4469 0.1359 -0.0090 -0.0149 41 THR B N 2828 C CA . THR B 41 ? 0.6759 0.6946 0.4465 0.1539 -0.0104 -0.0185 41 THR B CA 2829 C C . THR B 41 ? 0.7227 0.6882 0.4431 0.1714 -0.0122 -0.0168 41 THR B C 2830 O O . THR B 41 ? 0.6955 0.6837 0.4362 0.1659 -0.0129 -0.0173 41 THR B O 2831 C CB . THR B 41 ? 0.6699 0.7518 0.4455 0.1866 -0.0111 -0.0251 41 THR B CB 2832 O OG1 . THR B 41 ? 0.6403 0.7691 0.4600 0.1639 -0.0077 -0.0271 41 THR B OG1 2833 C CG2 . THR B 41 ? 0.6582 0.8060 0.4508 0.2039 -0.0127 -0.0312 41 THR B CG2 2834 N N . GLN B 42 ? 0.7965 0.6841 0.4440 0.1918 -0.0122 -0.0149 42 GLN B N 2835 C CA . GLN B 42 ? 0.8697 0.6856 0.4491 0.2089 -0.0122 -0.0131 42 GLN B CA 2836 C C . GLN B 42 ? 0.8592 0.6358 0.4418 0.1640 -0.0092 -0.0097 42 GLN B C 2837 O O . GLN B 42 ? 0.8679 0.6361 0.4416 0.1666 -0.0095 -0.0093 42 GLN B O 2838 C CB . GLN B 42 ? 0.9710 0.6968 0.4534 0.2421 -0.0111 -0.0122 42 GLN B CB 2839 C CG . GLN B 42 ? 1.0793 0.7217 0.4704 0.2736 -0.0104 -0.0110 42 GLN B CG 2840 C CD . GLN B 42 ? 1.0982 0.8076 0.5095 0.3141 -0.0153 -0.0146 42 GLN B CD 2841 O OE1 . GLN B 42 ? 1.0842 0.8855 0.5363 0.3445 -0.0194 -0.0200 42 GLN B OE1 2842 N NE2 . GLN B 42 ? 1.1206 0.7883 0.5014 0.3123 -0.0145 -0.0128 42 GLN B NE2 2843 N N . LYS B 43 ? 0.8455 0.6065 0.4413 0.1244 -0.0065 -0.0084 43 LYS B N 2844 C CA . LYS B 43 ? 0.8361 0.5854 0.4454 0.0802 -0.0039 -0.0074 43 LYS B CA 2845 C C . LYS B 43 ? 0.7485 0.5707 0.4301 0.0703 -0.0060 -0.0074 43 LYS B C 2846 O O . LYS B 43 ? 0.7512 0.5596 0.4277 0.0541 -0.0047 -0.0067 43 LYS B O 2847 C CB . LYS B 43 ? 0.8313 0.5750 0.4491 0.0439 -0.0017 -0.0083 43 LYS B CB 2848 C CG . LYS B 43 ? 0.8516 0.5833 0.4666 -0.0009 0.0017 -0.0098 43 LYS B CG 2849 C CD . LYS B 43 ? 0.8478 0.5920 0.4734 -0.0342 0.0031 -0.0129 43 LYS B CD 2850 C CE . LYS B 43 ? 0.8733 0.6214 0.4935 -0.0797 0.0068 -0.0172 43 LYS B CE 2851 N NZ . LYS B 43 ? 0.8889 0.6612 0.5166 -0.1108 0.0078 -0.0224 43 LYS B NZ 2852 N N . ALA B 44 ? 0.6760 0.5699 0.4170 0.0781 -0.0081 -0.0085 44 ALA B N 2853 C CA . ALA B 44 ? 0.6134 0.5670 0.4106 0.0696 -0.0089 -0.0090 44 ALA B CA 2854 C C . ALA B 44 ? 0.6266 0.5855 0.4092 0.0942 -0.0106 -0.0103 44 ALA B C 2855 O O . ALA B 44 ? 0.6039 0.5779 0.4071 0.0832 -0.0107 -0.0097 44 ALA B O 2856 C CB . ALA B 44 ? 0.5634 0.5785 0.4092 0.0686 -0.0085 -0.0110 44 ALA B CB 2857 N N . PHE B 45 ? 0.6645 0.6139 0.4091 0.1315 -0.0124 -0.0125 45 PHE B N 2858 C CA . PHE B 45 ? 0.6901 0.6485 0.4126 0.1643 -0.0149 -0.0149 45 PHE B CA 2859 C C . PHE B 45 ? 0.7352 0.6186 0.4058 0.1610 -0.0138 -0.0113 45 PHE B C 2860 O O . PHE B 45 ? 0.7247 0.6257 0.4044 0.1660 -0.0151 -0.0120 45 PHE B O 2861 C CB . PHE B 45 ? 0.7298 0.6987 0.4151 0.2131 -0.0175 -0.0190 45 PHE B CB 2862 C CG . PHE B 45 ? 0.7606 0.7555 0.4242 0.2542 -0.0212 -0.0233 45 PHE B CG 2863 C CD1 . PHE B 45 ? 0.7185 0.8106 0.4409 0.2515 -0.0228 -0.0294 45 PHE B CD1 2864 C CD2 . PHE B 45 ? 0.8653 0.7837 0.4414 0.2958 -0.0224 -0.0218 45 PHE B CD2 2865 C CE1 . PHE B 45 ? 0.7372 0.8649 0.4411 0.2906 -0.0268 -0.0349 45 PHE B CE1 2866 C CE2 . PHE B 45 ? 0.8906 0.8348 0.4416 0.3407 -0.0265 -0.0262 45 PHE B CE2 2867 C CZ . PHE B 45 ? 0.8225 0.8789 0.4423 0.3384 -0.0293 -0.0331 45 PHE B CZ 2868 N N . ASP B 46 ? 0.7980 0.5972 0.4107 0.1484 -0.0103 -0.0084 46 ASP B N 2869 C CA . ASP B 46 ? 0.8624 0.5803 0.4142 0.1349 -0.0066 -0.0060 46 ASP B CA 2870 C C . ASP B 46 ? 0.8129 0.5608 0.4155 0.0933 -0.0051 -0.0051 46 ASP B C 2871 O O . ASP B 46 ? 0.8361 0.5642 0.4203 0.0942 -0.0044 -0.0044 46 ASP B O 2872 C CB . ASP B 46 ? 0.9450 0.5673 0.4186 0.1200 -0.0012 -0.0050 46 ASP B CB 2873 C CG . ASP B 46 ? 1.0348 0.6008 0.4309 0.1693 -0.0019 -0.0053 46 ASP B CG 2874 O OD1 . ASP B 46 ? 1.0529 0.6373 0.4345 0.2191 -0.0061 -0.0064 46 ASP B OD1 2875 O OD2 . ASP B 46 ? 1.1064 0.6132 0.4533 0.1603 0.0017 -0.0051 46 ASP B OD2 2876 N N . GLY B 47 ? 0.7484 0.5436 0.4102 0.0612 -0.0048 -0.0053 47 GLY B N 2877 C CA . GLY B 47 ? 0.6902 0.5266 0.4038 0.0293 -0.0042 -0.0050 47 GLY B CA 2878 C C . GLY B 47 ? 0.6466 0.5353 0.4037 0.0431 -0.0072 -0.0050 47 GLY B C 2879 O O . GLY B 47 ? 0.6334 0.5163 0.3902 0.0323 -0.0063 -0.0042 47 GLY B O 2880 N N . ILE B 48 ? 0.6157 0.5576 0.4077 0.0635 -0.0100 -0.0068 48 ILE B N 2881 C CA . ILE B 48 ? 0.5798 0.5770 0.4107 0.0710 -0.0119 -0.0087 48 ILE B CA 2882 C C . ILE B 48 ? 0.6215 0.5963 0.4149 0.0962 -0.0137 -0.0094 48 ILE B C 2883 O O . ILE B 48 ? 0.6010 0.5907 0.4120 0.0884 -0.0140 -0.0091 48 ILE B O 2884 C CB . ILE B 48 ? 0.5450 0.6071 0.4126 0.0808 -0.0126 -0.0130 48 ILE B CB 2885 C CG1 . ILE B 48 ? 0.5084 0.5858 0.4087 0.0555 -0.0100 -0.0119 48 ILE B CG1 2886 C CG2 . ILE B 48 ? 0.5304 0.6491 0.4275 0.0840 -0.0134 -0.0173 48 ILE B CG2 2887 C CD1 . ILE B 48 ? 0.4613 0.5411 0.3876 0.0287 -0.0083 -0.0091 48 ILE B CD1 2888 N N . THR B 49 ? 0.6839 0.6182 0.4194 0.1292 -0.0149 -0.0102 49 THR B N 2889 C CA . THR B 49 ? 0.7437 0.6388 0.4234 0.1607 -0.0163 -0.0104 49 THR B CA 2890 C C . THR B 49 ? 0.7802 0.6142 0.4319 0.1345 -0.0126 -0.0065 49 THR B C 2891 O O . THR B 49 ? 0.7737 0.6129 0.4237 0.1427 -0.0138 -0.0067 49 THR B O 2892 C CB . THR B 49 ? 0.8220 0.6572 0.4222 0.2018 -0.0168 -0.0109 49 THR B CB 2893 O OG1 . THR B 49 ? 0.7978 0.7021 0.4241 0.2303 -0.0205 -0.0159 49 THR B OG1 2894 C CG2 . THR B 49 ? 0.8970 0.6766 0.4234 0.2398 -0.0178 -0.0107 49 THR B CG2 2895 N N . ASN B 50 ? 0.8139 0.5963 0.4436 0.1010 -0.0077 -0.0041 50 ASN B N 2896 C CA . ASN B 50 ? 0.8524 0.5905 0.4593 0.0671 -0.0027 -0.0025 50 ASN B CA 2897 C C . ASN B 50 ? 0.7882 0.5924 0.4665 0.0452 -0.0040 -0.0023 50 ASN B C 2898 O O . ASN B 50 ? 0.8053 0.5900 0.4685 0.0373 -0.0022 -0.0015 50 ASN B O 2899 C CB . ASN B 50 ? 0.8857 0.5770 0.4614 0.0289 0.0033 -0.0028 50 ASN B CB 2900 C CG . ASN B 50 ? 0.9513 0.5898 0.4824 -0.0068 0.0102 -0.0034 50 ASN B CG 2901 O OD1 . ASN B 50 ? 0.9313 0.6138 0.5070 -0.0438 0.0120 -0.0051 50 ASN B OD1 2902 N ND2 . ASN B 50 ? 1.0320 0.5761 0.4695 0.0059 0.0148 -0.0027 50 ASN B ND2 2903 N N . LYS B 51 ? 0.7261 0.6009 0.4738 0.0368 -0.0065 -0.0030 51 LYS B N 2904 C CA . LYS B 51 ? 0.6827 0.6122 0.4885 0.0209 -0.0074 -0.0028 51 LYS B CA 2905 C C . LYS B 51 ? 0.6879 0.6405 0.5032 0.0423 -0.0103 -0.0036 51 LYS B C 2906 O O . LYS B 51 ? 0.6761 0.6348 0.5039 0.0305 -0.0096 -0.0027 51 LYS B O 2907 C CB . LYS B 51 ? 0.6216 0.6050 0.4810 0.0123 -0.0083 -0.0034 51 LYS B CB 2908 C CG . LYS B 51 ? 0.5792 0.6080 0.4851 0.0022 -0.0086 -0.0032 51 LYS B CG 2909 C CD . LYS B 51 ? 0.5402 0.6054 0.4807 -0.0025 -0.0081 -0.0039 51 LYS B CD 2910 C CE . LYS B 51 ? 0.5223 0.5793 0.4615 -0.0162 -0.0070 -0.0030 51 LYS B CE 2911 N NZ . LYS B 51 ? 0.4522 0.5370 0.4191 -0.0233 -0.0060 -0.0025 51 LYS B NZ 2912 N N . VAL B 52 ? 0.7203 0.6929 0.5296 0.0742 -0.0135 -0.0065 52 VAL B N 2913 C CA . VAL B 52 ? 0.7372 0.7467 0.5566 0.0954 -0.0167 -0.0096 52 VAL B CA 2914 C C . VAL B 52 ? 0.8104 0.7655 0.5736 0.1146 -0.0171 -0.0082 52 VAL B C 2915 O O . VAL B 52 ? 0.8040 0.7843 0.5784 0.1231 -0.0192 -0.0098 52 VAL B O 2916 C CB . VAL B 52 ? 0.7214 0.7936 0.5571 0.1221 -0.0200 -0.0160 52 VAL B CB 2917 C CG1 . VAL B 52 ? 0.6780 0.7957 0.5619 0.0981 -0.0179 -0.0176 52 VAL B CG1 2918 C CG2 . VAL B 52 ? 0.7916 0.8303 0.5700 0.1615 -0.0221 -0.0172 52 VAL B CG2 2919 N N . ASN B 53 ? 0.8975 0.7725 0.5934 0.1202 -0.0143 -0.0056 53 ASN B N 2920 C CA . ASN B 53 ? 0.9846 0.7853 0.6120 0.1296 -0.0119 -0.0036 53 ASN B CA 2921 C C . ASN B 53 ? 0.9921 0.7758 0.6321 0.0856 -0.0070 -0.0010 53 ASN B C 2922 O O . ASN B 53 ? 1.0124 0.7809 0.6375 0.0881 -0.0065 -0.0002 53 ASN B O 2923 C CB . ASN B 53 ? 1.0747 0.7804 0.6088 0.1469 -0.0084 -0.0023 53 ASN B CB 2924 C CG . ASN B 53 ? 1.1001 0.8188 0.6069 0.2025 -0.0138 -0.0053 53 ASN B CG 2925 O OD1 . ASN B 53 ? 1.0709 0.8610 0.6099 0.2340 -0.0199 -0.0095 53 ASN B OD1 2926 N ND2 . ASN B 53 ? 1.1415 0.7948 0.5852 0.2146 -0.0112 -0.0044 53 ASN B ND2 2927 N N . SER B 54 ? 0.9874 0.7810 0.6552 0.0477 -0.0037 -0.0004 54 SER B N 2928 C CA . SER B 54 ? 0.9967 0.7931 0.6809 0.0068 0.0008 0.0002 54 SER B CA 2929 C C . SER B 54 ? 0.9555 0.8150 0.7015 0.0040 -0.0022 0.0005 54 SER B C 2930 O O . SER B 54 ? 0.9669 0.8143 0.7046 -0.0122 0.0007 0.0010 54 SER B O 2931 C CB . SER B 54 ? 0.9754 0.7887 0.6805 -0.0263 0.0036 -0.0011 54 SER B CB 2932 O OG . SER B 54 ? 1.0454 0.7883 0.6817 -0.0367 0.0088 -0.0022 54 SER B OG 2933 N N . VAL B 55 ? 0.9235 0.8461 0.7253 0.0167 -0.0069 -0.0003 55 VAL B N 2934 C CA . VAL B 55 ? 0.9007 0.8739 0.7507 0.0137 -0.0089 -0.0005 55 VAL B CA 2935 C C . VAL B 55 ? 0.9361 0.8998 0.7657 0.0351 -0.0110 -0.0011 55 VAL B C 2936 O O . VAL B 55 ? 0.9306 0.9002 0.7712 0.0254 -0.0103 -0.0002 55 VAL B O 2937 C CB . VAL B 55 ? 0.8491 0.8809 0.7490 0.0166 -0.0112 -0.0025 55 VAL B CB 2938 C CG1 . VAL B 55 ? 0.8394 0.8790 0.7572 -0.0013 -0.0092 -0.0015 55 VAL B CG1 2939 C CG2 . VAL B 55 ? 0.8673 0.9179 0.7602 0.0441 -0.0143 -0.0063 55 VAL B CG2 2940 N N . ILE B 56 ? 0.9863 0.9375 0.7831 0.0678 -0.0139 -0.0032 56 ILE B N 2941 C CA . ILE B 56 ? 1.0302 0.9739 0.7982 0.0977 -0.0168 -0.0048 56 ILE B CA 2942 C C . ILE B 56 ? 1.1038 0.9717 0.8143 0.0914 -0.0126 -0.0013 56 ILE B C 2943 O O . ILE B 56 ? 1.1052 0.9774 0.8168 0.0951 -0.0135 -0.0012 56 ILE B O 2944 C CB . ILE B 56 ? 1.0608 1.0117 0.7977 0.1415 -0.0211 -0.0089 56 ILE B CB 2945 C CG1 . ILE B 56 ? 0.9978 1.0447 0.7952 0.1460 -0.0249 -0.0153 56 ILE B CG1 2946 C CG2 . ILE B 56 ? 1.1273 1.0369 0.8000 0.1811 -0.0233 -0.0097 56 ILE B CG2 2947 C CD1 . ILE B 56 ? 1.0248 1.1051 0.8015 0.1888 -0.0294 -0.0217 56 ILE B CD1 2948 N N . GLU B 57 ? 1.1744 0.9720 0.8315 0.0777 -0.0071 0.0008 57 GLU B N 2949 C CA . GLU B 57 ? 1.2643 0.9770 0.8489 0.0659 -0.0006 0.0028 57 GLU B CA 2950 C C . GLU B 57 ? 1.2452 0.9716 0.8584 0.0224 0.0042 0.0036 57 GLU B C 2951 O O . GLU B 57 ? 1.2952 0.9679 0.8588 0.0126 0.0093 0.0043 57 GLU B O 2952 C CB . GLU B 57 ? 1.3465 0.9722 0.8511 0.0602 0.0056 0.0032 57 GLU B CB 2953 C CG . GLU B 57 ? 1.4284 0.9999 0.8597 0.1139 0.0028 0.0031 57 GLU B CG 2954 C CD . GLU B 57 ? 1.5064 1.0078 0.8732 0.1116 0.0075 0.0032 57 GLU B CD 2955 O OE1 . GLU B 57 ? 1.5010 0.9886 0.8723 0.0629 0.0139 0.0029 57 GLU B OE1 2956 O OE2 . GLU B 57 ? 1.5682 1.0319 0.8771 0.1606 0.0046 0.0029 57 GLU B OE2 2957 N N . LYS B 58 ? 1.1836 0.9804 0.8704 -0.0009 0.0028 0.0030 58 LYS B N 2958 C CA . LYS B 58 ? 1.1677 0.9924 0.8851 -0.0345 0.0063 0.0028 58 LYS B CA 2959 C C . LYS B 58 ? 1.1479 1.0034 0.8949 -0.0224 0.0029 0.0039 58 LYS B C 2960 O O . LYS B 58 ? 1.1515 1.0070 0.8985 -0.0433 0.0067 0.0039 58 LYS B O 2961 C CB . LYS B 58 ? 1.1101 0.9937 0.8830 -0.0560 0.0059 0.0015 58 LYS B CB 2962 C CG . LYS B 58 ? 1.1449 1.0121 0.8912 -0.0943 0.0130 -0.0016 58 LYS B CG 2963 C CD . LYS B 58 ? 1.1925 1.0183 0.8997 -0.0962 0.0149 -0.0027 58 LYS B CD 2964 C CE . LYS B 58 ? 1.2895 1.0177 0.9070 -0.0861 0.0192 -0.0019 58 LYS B CE 2965 N NZ . LYS B 58 ? 1.3314 1.0076 0.8977 -0.0918 0.0226 -0.0033 58 LYS B NZ 2966 N N . MET B 59 ? 1.1351 1.0211 0.9054 0.0092 -0.0037 0.0035 59 MET B N 2967 C CA . MET B 59 ? 1.1269 1.0387 0.9165 0.0224 -0.0070 0.0033 59 MET B CA 2968 C C . MET B 59 ? 1.1826 1.0558 0.9190 0.0575 -0.0094 0.0024 59 MET B C 2969 O O . MET B 59 ? 1.1695 1.0846 0.9232 0.0859 -0.0154 -0.0008 59 MET B O 2970 C CB . MET B 59 ? 1.0580 1.0417 0.9111 0.0252 -0.0113 0.0013 59 MET B CB 2971 C CG . MET B 59 ? 1.0269 1.0386 0.9197 -0.0017 -0.0088 0.0028 59 MET B CG 2972 S SD . MET B 59 ? 0.9932 1.0530 0.9326 -0.0078 -0.0098 0.0016 59 MET B SD 2973 C CE . MET B 59 ? 1.0051 1.0480 0.9265 -0.0023 -0.0099 0.0009 59 MET B CE 2974 N N . ASN B 60 ? 1.2567 1.0495 0.9210 0.0548 -0.0039 0.0043 60 ASN B N 2975 C CA . ASN B 60 ? 1.3272 1.0637 0.9221 0.0906 -0.0049 0.0043 60 ASN B CA 2976 C C . ASN B 60 ? 1.3408 1.0523 0.9187 0.0788 -0.0015 0.0059 60 ASN B C 2977 O O . ASN B 60 ? 1.3718 1.0671 0.9177 0.1120 -0.0047 0.0054 60 ASN B O 2978 C CB . ASN B 60 ? 1.4242 1.0652 0.9267 0.1000 0.0004 0.0053 60 ASN B CB 2979 C CG . ASN B 60 ? 1.4326 1.0926 0.9354 0.1322 -0.0049 0.0033 60 ASN B CG 2980 O OD1 . ASN B 60 ? 1.3770 1.1239 0.9440 0.1510 -0.0125 0.0002 60 ASN B OD1 2981 N ND2 . ASN B 60 ? 1.5143 1.0916 0.9402 0.1359 0.0002 0.0044 60 ASN B ND2 2982 N N . THR B 61 ? 1.3167 1.0300 0.9139 0.0335 0.0050 0.0071 61 THR B N 2983 C CA . THR B 61 ? 1.3146 1.0210 0.9092 0.0180 0.0083 0.0081 61 THR B CA 2984 C C . THR B 61 ? 1.2171 1.0124 0.9012 0.0028 0.0046 0.0077 61 THR B C 2985 O O . THR B 61 ? 1.1973 1.0107 0.9023 -0.0309 0.0095 0.0077 61 THR B O 2986 C CB . THR B 61 ? 1.3852 1.0175 0.9130 -0.0213 0.0203 0.0081 61 THR B CB 2987 O OG1 . THR B 61 ? 1.4718 1.0171 0.9142 -0.0152 0.0253 0.0079 61 THR B OG1 2988 C CG2 . THR B 61 ? 1.4206 1.0163 0.9121 -0.0216 0.0239 0.0091 61 THR B CG2 2989 N N . GLN B 62 ? 1.1603 1.0113 0.8902 0.0287 -0.0036 0.0064 62 GLN B N 2990 C CA . GLN B 62 ? 1.0815 0.9997 0.8779 0.0202 -0.0066 0.0059 62 GLN B CA 2991 C C . GLN B 62 ? 1.0768 0.9889 0.8647 0.0261 -0.0071 0.0064 62 GLN B C 2992 O O . GLN B 62 ? 1.1303 0.9966 0.8661 0.0466 -0.0072 0.0065 62 GLN B O 2993 C CB . GLN B 62 ? 1.0429 1.0154 0.8780 0.0381 -0.0130 0.0025 62 GLN B CB 2994 C CG . GLN B 62 ? 0.9954 1.0232 0.8827 0.0285 -0.0148 0.0011 62 GLN B CG 2995 C CD . GLN B 62 ? 0.9649 1.0416 0.8820 0.0343 -0.0181 -0.0037 62 GLN B CD 2996 O OE1 . GLN B 62 ? 0.9554 1.0695 0.8846 0.0431 -0.0213 -0.0087 62 GLN B OE1 2997 N NE2 . GLN B 62 ? 0.9539 1.0339 0.8808 0.0263 -0.0167 -0.0032 62 GLN B NE2 2998 N N . PHE B 63 ? 1.0151 0.9669 0.8464 0.0112 -0.0071 0.0069 63 PHE B N 2999 C CA . PHE B 63 ? 0.9981 0.9499 0.8270 0.0162 -0.0078 0.0072 63 PHE B CA 3000 C C . PHE B 63 ? 0.9817 0.9576 0.8139 0.0459 -0.0148 0.0035 63 PHE B C 3001 O O . PHE B 63 ? 0.9531 0.9756 0.8171 0.0513 -0.0187 -0.0003 63 PHE B O 3002 C CB . PHE B 63 ? 0.9534 0.9420 0.8242 -0.0028 -0.0063 0.0083 63 PHE B CB 3003 C CG . PHE B 63 ? 0.9596 0.9472 0.8280 0.0008 -0.0068 0.0088 63 PHE B CG 3004 C CD1 . PHE B 63 ? 0.9898 0.9450 0.8294 -0.0117 -0.0013 0.0108 63 PHE B CD1 3005 C CD2 . PHE B 63 ? 0.9303 0.9502 0.8218 0.0129 -0.0117 0.0063 63 PHE B CD2 3006 C CE1 . PHE B 63 ? 0.9834 0.9372 0.8205 -0.0078 -0.0016 0.0115 63 PHE B CE1 3007 C CE2 . PHE B 63 ? 0.9247 0.9433 0.8129 0.0160 -0.0122 0.0065 63 PHE B CE2 3008 C CZ . PHE B 63 ? 0.9521 0.9369 0.8146 0.0079 -0.0076 0.0097 63 PHE B CZ 3009 N N . GLU B 64 ? 0.9961 0.9437 0.7923 0.0634 -0.0158 0.0035 64 GLU B N 3010 C CA . GLU B 64 ? 0.9777 0.9574 0.7732 0.0945 -0.0228 -0.0017 64 GLU B CA 3011 C C . GLU B 64 ? 0.9430 0.9383 0.7525 0.0906 -0.0238 -0.0020 64 GLU B C 3012 O O . GLU B 64 ? 0.9666 0.9166 0.7492 0.0830 -0.0194 0.0023 64 GLU B O 3013 C CB . GLU B 64 ? 1.0456 0.9773 0.7744 0.1316 -0.0247 -0.0024 64 GLU B CB 3014 C CG . GLU B 64 ? 1.0787 0.9818 0.7815 0.1376 -0.0231 -0.0017 64 GLU B CG 3015 C CD . GLU B 64 ? 1.1716 1.0041 0.7882 0.1768 -0.0232 -0.0014 64 GLU B CD 3016 O OE1 . GLU B 64 ? 1.2274 1.0121 0.7949 0.1914 -0.0220 0.0001 64 GLU B OE1 3017 O OE2 . GLU B 64 ? 1.2156 1.0345 0.8069 0.1952 -0.0243 -0.0025 64 GLU B OE2 3018 N N . ALA B 65 ? 0.8804 0.9396 0.7283 0.0922 -0.0284 -0.0079 65 ALA B N 3019 C CA . ALA B 65 ? 0.8413 0.9195 0.7012 0.0891 -0.0298 -0.0096 65 ALA B CA 3020 C C . ALA B 65 ? 0.8632 0.9281 0.6826 0.1232 -0.0342 -0.0120 65 ALA B C 3021 O O . ALA B 65 ? 0.8844 0.9739 0.6859 0.1553 -0.0398 -0.0181 65 ALA B O 3022 C CB . ALA B 65 ? 0.8021 0.9466 0.7041 0.0746 -0.0319 -0.0168 65 ALA B CB 3023 N N . VAL B 66 ? 0.8519 0.8790 0.6535 0.1189 -0.0315 -0.0076 66 VAL B N 3024 C CA . VAL B 66 ? 0.8614 0.8700 0.6219 0.1498 -0.0349 -0.0092 66 VAL B CA 3025 C C . VAL B 66 ? 0.8018 0.8643 0.5978 0.1426 -0.0384 -0.0140 66 VAL B C 3026 O O . VAL B 66 ? 0.7766 0.8398 0.6024 0.1113 -0.0342 -0.0106 66 VAL B O 3027 C CB . VAL B 66 ? 0.9173 0.8367 0.6241 0.1446 -0.0276 -0.0011 66 VAL B CB 3028 C CG1 . VAL B 66 ? 0.9595 0.8516 0.6194 0.1753 -0.0303 -0.0022 66 VAL B CG1 3029 C CG2 . VAL B 66 ? 0.9638 0.8201 0.6229 0.1457 -0.0224 0.0025 66 VAL B CG2 3030 N N . GLY B 67 ? 0.7724 0.8819 0.5613 0.1727 -0.0459 -0.0227 67 GLY B N 3031 C CA . GLY B 67 ? 0.7001 0.8603 0.5145 0.1652 -0.0491 -0.0288 67 GLY B CA 3032 C C . GLY B 67 ? 0.6915 0.8003 0.4793 0.1690 -0.0470 -0.0228 67 GLY B C 3033 O O . GLY B 67 ? 0.7491 0.8235 0.4872 0.2040 -0.0495 -0.0222 67 GLY B O 3034 N N . LYS B 68 ? 0.6250 0.7241 0.4393 0.1353 -0.0421 -0.0184 68 LYS B N 3035 C CA . LYS B 68 ? 0.5968 0.6586 0.3929 0.1348 -0.0399 -0.0137 68 LYS B CA 3036 C C . LYS B 68 ? 0.5314 0.6433 0.3595 0.1201 -0.0423 -0.0195 68 LYS B C 3037 O O . LYS B 68 ? 0.4922 0.6469 0.3534 0.0978 -0.0421 -0.0244 68 LYS B O 3038 C CB . LYS B 68 ? 0.6008 0.6075 0.3949 0.1077 -0.0308 -0.0036 68 LYS B CB 3039 C CG . LYS B 68 ? 0.6549 0.5980 0.4048 0.1124 -0.0256 0.0020 68 LYS B CG 3040 C CD . LYS B 68 ? 0.6449 0.5594 0.4017 0.0783 -0.0164 0.0086 68 LYS B CD 3041 C CE . LYS B 68 ? 0.6956 0.5472 0.4023 0.0734 -0.0094 0.0123 68 LYS B CE 3042 N NZ . LYS B 68 ? 0.7052 0.5568 0.4046 0.0854 -0.0120 0.0104 68 LYS B NZ 3043 N N . GLU B 69 ? 0.5155 0.6147 0.3261 0.1306 -0.0437 -0.0192 69 GLU B N 3044 C CA . GLU B 69 ? 0.4749 0.6082 0.3084 0.1135 -0.0447 -0.0237 69 GLU B CA 3045 C C . GLU B 69 ? 0.4494 0.5326 0.2767 0.0996 -0.0388 -0.0147 69 GLU B C 3046 O O . GLU B 69 ? 0.4564 0.4857 0.2556 0.1075 -0.0349 -0.0071 69 GLU B O 3047 C CB . GLU B 69 ? 0.4891 0.6773 0.3140 0.1385 -0.0532 -0.0351 69 GLU B CB 3048 C CG . GLU B 69 ? 0.5256 0.7915 0.3678 0.1432 -0.0585 -0.0475 69 GLU B CG 3049 C CD . GLU B 69 ? 0.5830 0.9178 0.4130 0.1761 -0.0677 -0.0606 69 GLU B CD 3050 O OE1 . GLU B 69 ? 0.6188 0.9803 0.4525 0.1698 -0.0698 -0.0661 69 GLU B OE1 3051 O OE2 . GLU B 69 ? 0.6306 0.9971 0.4458 0.2103 -0.0731 -0.0662 69 GLU B OE2 3052 N N . PHE B 70 ? 0.4098 0.5114 0.2573 0.0778 -0.0375 -0.0168 70 PHE B N 3053 C CA . PHE B 70 ? 0.4059 0.4711 0.2518 0.0642 -0.0319 -0.0094 70 PHE B CA 3054 C C . PHE B 70 ? 0.4081 0.4953 0.2560 0.0581 -0.0343 -0.0153 70 PHE B C 3055 O O . PHE B 70 ? 0.4071 0.5389 0.2652 0.0475 -0.0373 -0.0252 70 PHE B O 3056 C CB . PHE B 70 ? 0.3693 0.4214 0.2314 0.0424 -0.0255 -0.0043 70 PHE B CB 3057 C CG . PHE B 70 ? 0.3612 0.4005 0.2238 0.0445 -0.0234 -0.0003 70 PHE B CG 3058 C CD1 . PHE B 70 ? 0.3929 0.3960 0.2402 0.0448 -0.0183 0.0068 70 PHE B CD1 3059 C CD2 . PHE B 70 ? 0.3326 0.3976 0.2069 0.0436 -0.0259 -0.0049 70 PHE B CD2 3060 C CE1 . PHE B 70 ? 0.3590 0.3482 0.2007 0.0426 -0.0156 0.0093 70 PHE B CE1 3061 C CE2 . PHE B 70 ? 0.3411 0.3915 0.2125 0.0463 -0.0241 -0.0015 70 PHE B CE2 3062 C CZ . PHE B 70 ? 0.3445 0.3548 0.1983 0.0451 -0.0189 0.0057 70 PHE B CZ 3063 N N . SER B 71 ? 0.4254 0.4832 0.2605 0.0617 -0.0322 -0.0103 71 SER B N 3064 C CA . SER B 71 ? 0.4387 0.5094 0.2716 0.0552 -0.0338 -0.0150 71 SER B CA 3065 C C . SER B 71 ? 0.4437 0.5017 0.2818 0.0295 -0.0281 -0.0136 71 SER B C 3066 O O . SER B 71 ? 0.4220 0.4615 0.2657 0.0218 -0.0233 -0.0081 71 SER B O 3067 C CB . SER B 71 ? 0.4540 0.4943 0.2672 0.0704 -0.0335 -0.0098 71 SER B CB 3068 O OG . SER B 71 ? 0.4782 0.4811 0.2901 0.0603 -0.0260 -0.0006 71 SER B OG 3069 N N . ASN B 72 ? 0.4690 0.5328 0.2977 0.0185 -0.0286 -0.0191 72 ASN B N 3070 C CA . ASN B 72 ? 0.5019 0.5370 0.3168 -0.0023 -0.0224 -0.0180 72 ASN B CA 3071 C C . ASN B 72 ? 0.4996 0.4902 0.3062 0.0076 -0.0170 -0.0064 72 ASN B C 3072 O O . ASN B 72 ? 0.5072 0.4680 0.2965 0.0000 -0.0115 -0.0038 72 ASN B O 3073 C CB . ASN B 72 ? 0.5282 0.5761 0.3254 -0.0205 -0.0233 -0.0283 72 ASN B CB 3074 C CG . ASN B 72 ? 0.5853 0.6282 0.3758 -0.0059 -0.0262 -0.0267 72 ASN B CG 3075 O OD1 . ASN B 72 ? 0.6327 0.6694 0.4308 0.0183 -0.0285 -0.0198 72 ASN B OD1 3076 N ND2 . ASN B 72 ? 0.6461 0.6873 0.4158 -0.0236 -0.0253 -0.0338 72 ASN B ND2 3077 N N . LEU B 73 ? 0.4913 0.4776 0.3036 0.0251 -0.0178 -0.0004 73 LEU B N 3078 C CA . LEU B 73 ? 0.4864 0.4487 0.2951 0.0321 -0.0121 0.0087 73 LEU B CA 3079 C C . LEU B 73 ? 0.4570 0.4238 0.2788 0.0336 -0.0093 0.0132 73 LEU B C 3080 O O . LEU B 73 ? 0.4625 0.4247 0.2835 0.0368 -0.0046 0.0186 73 LEU B O 3081 C CB . LEU B 73 ? 0.5066 0.4592 0.3062 0.0423 -0.0122 0.0115 73 LEU B CB 3082 C CG . LEU B 73 ? 0.5512 0.4899 0.3342 0.0433 -0.0118 0.0109 73 LEU B CG 3083 C CD1 . LEU B 73 ? 0.6041 0.5530 0.3797 0.0325 -0.0163 0.0018 73 LEU B CD1 3084 C CD2 . LEU B 73 ? 0.5339 0.4641 0.3088 0.0539 -0.0117 0.0139 73 LEU B CD2 3085 N N . GLU B 74 ? 0.4232 0.4043 0.2562 0.0290 -0.0118 0.0099 74 GLU B N 3086 C CA . GLU B 74 ? 0.3882 0.3726 0.2315 0.0286 -0.0094 0.0133 74 GLU B CA 3087 C C . GLU B 74 ? 0.3694 0.3612 0.2209 0.0209 -0.0089 0.0115 74 GLU B C 3088 O O . GLU B 74 ? 0.3546 0.3568 0.2168 0.0191 -0.0099 0.0107 74 GLU B O 3089 C CB . GLU B 74 ? 0.3843 0.3697 0.2247 0.0351 -0.0125 0.0120 74 GLU B CB 3090 C CG . GLU B 74 ? 0.4446 0.4092 0.2645 0.0434 -0.0115 0.0143 74 GLU B CG 3091 C CD . GLU B 74 ? 0.4857 0.4352 0.2848 0.0559 -0.0140 0.0131 74 GLU B CD 3092 O OE1 . GLU B 74 ? 0.4783 0.4479 0.2822 0.0655 -0.0201 0.0078 74 GLU B OE1 3093 O OE2 . GLU B 74 ? 0.5453 0.4603 0.3161 0.0563 -0.0090 0.0168 74 GLU B OE2 3094 N N . ARG B 75 ? 0.3842 0.3627 0.2227 0.0168 -0.0065 0.0109 75 ARG B N 3095 C CA . ARG B 75 ? 0.3884 0.3599 0.2209 0.0089 -0.0045 0.0092 75 ARG B CA 3096 C C . ARG B 75 ? 0.3720 0.3469 0.2123 0.0162 -0.0014 0.0142 75 ARG B C 3097 O O . ARG B 75 ? 0.3644 0.3427 0.2094 0.0103 -0.0013 0.0126 75 ARG B O 3098 C CB . ARG B 75 ? 0.4292 0.3668 0.2264 0.0028 -0.0010 0.0072 75 ARG B CB 3099 C CG . ARG B 75 ? 0.4955 0.4385 0.2837 -0.0140 -0.0037 -0.0012 75 ARG B CG 3100 C CD . ARG B 75 ? 0.5999 0.5672 0.3950 -0.0341 -0.0051 -0.0099 75 ARG B CD 3101 N NE . ARG B 75 ? 0.6899 0.6937 0.4902 -0.0465 -0.0096 -0.0201 75 ARG B NE 3102 C CZ . ARG B 75 ? 0.6966 0.7489 0.5248 -0.0360 -0.0165 -0.0238 75 ARG B CZ 3103 N NH1 . ARG B 75 ? 0.6517 0.7102 0.5006 -0.0168 -0.0187 -0.0176 75 ARG B NH1 3104 N NH2 . ARG B 75 ? 0.7198 0.8138 0.5484 -0.0437 -0.0208 -0.0348 75 ARG B NH2 3105 N N . ARG B 76 ? 0.3610 0.3414 0.2019 0.0279 0.0014 0.0190 76 ARG B N 3106 C CA . ARG B 76 ? 0.3542 0.3539 0.2043 0.0337 0.0042 0.0216 76 ARG B CA 3107 C C . ARG B 76 ? 0.3378 0.3556 0.2098 0.0231 0.0028 0.0208 76 ARG B C 3108 O O . ARG B 76 ? 0.3329 0.3604 0.2126 0.0215 0.0033 0.0206 76 ARG B O 3109 C CB . ARG B 76 ? 0.3524 0.3723 0.1999 0.0452 0.0079 0.0242 76 ARG B CB 3110 C CG . ARG B 76 ? 0.3558 0.3590 0.1744 0.0650 0.0099 0.0257 76 ARG B CG 3111 C CD . ARG B 76 ? 0.3205 0.3567 0.1411 0.0753 0.0130 0.0268 76 ARG B CD 3112 N NE . ARG B 76 ? 0.3152 0.3488 0.1446 0.0614 0.0126 0.0267 76 ARG B NE 3113 C CZ . ARG B 76 ? 0.2723 0.3365 0.1101 0.0548 0.0163 0.0264 76 ARG B CZ 3114 N NH1 . ARG B 76 ? 0.3109 0.4232 0.1548 0.0583 0.0204 0.0247 76 ARG B NH1 3115 N NH2 . ARG B 76 ? 0.3000 0.3489 0.1357 0.0437 0.0165 0.0267 76 ARG B NH2 3116 N N . LEU B 77 ? 0.3415 0.3568 0.2157 0.0181 0.0014 0.0203 77 LEU B N 3117 C CA . LEU B 77 ? 0.3517 0.3678 0.2307 0.0113 0.0006 0.0196 77 LEU B CA 3118 C C . LEU B 77 ? 0.3389 0.3560 0.2251 0.0112 -0.0043 0.0161 77 LEU B C 3119 O O . LEU B 77 ? 0.3253 0.3474 0.2178 0.0078 -0.0041 0.0160 77 LEU B O 3120 C CB . LEU B 77 ? 0.3690 0.3676 0.2317 0.0114 0.0010 0.0201 77 LEU B CB 3121 C CG . LEU B 77 ? 0.4117 0.3903 0.2577 0.0086 0.0015 0.0197 77 LEU B CG 3122 C CD1 . LEU B 77 ? 0.4059 0.3893 0.2497 -0.0077 0.0081 0.0207 77 LEU B CD1 3123 C CD2 . LEU B 77 ? 0.4175 0.3654 0.2334 0.0142 0.0021 0.0203 77 LEU B CD2 3124 N N . GLU B 78 ? 0.3442 0.3615 0.2281 0.0125 -0.0079 0.0123 78 GLU B N 3125 C CA . GLU B 78 ? 0.3588 0.3899 0.2492 0.0079 -0.0114 0.0067 78 GLU B CA 3126 C C . GLU B 78 ? 0.3473 0.3768 0.2416 0.0010 -0.0082 0.0077 78 GLU B C 3127 O O . GLU B 78 ? 0.3291 0.3703 0.2328 -0.0022 -0.0095 0.0056 78 GLU B O 3128 C CB . GLU B 78 ? 0.3613 0.4004 0.2444 0.0023 -0.0140 0.0002 78 GLU B CB 3129 C CG . GLU B 78 ? 0.3970 0.4634 0.2857 -0.0088 -0.0162 -0.0083 78 GLU B CG 3130 C CD . GLU B 78 ? 0.4515 0.5358 0.3300 -0.0232 -0.0174 -0.0177 78 GLU B CD 3131 O OE1 . GLU B 78 ? 0.5624 0.6267 0.4259 -0.0258 -0.0157 -0.0167 78 GLU B OE1 3132 O OE2 . GLU B 78 ? 0.5541 0.6773 0.4382 -0.0342 -0.0194 -0.0274 78 GLU B OE2 3133 N N . ASN B 79 ? 0.3567 0.3699 0.2388 0.0025 -0.0042 0.0108 79 ASN B N 3134 C CA . ASN B 79 ? 0.3686 0.3728 0.2434 0.0016 -0.0011 0.0117 79 ASN B CA 3135 C C . ASN B 79 ? 0.3571 0.3796 0.2495 0.0061 -0.0005 0.0148 79 ASN B C 3136 O O . ASN B 79 ? 0.3437 0.3692 0.2405 0.0028 -0.0004 0.0139 79 ASN B O 3137 C CB . ASN B 79 ? 0.3956 0.3705 0.2393 0.0106 0.0031 0.0141 79 ASN B CB 3138 C CG . ASN B 79 ? 0.4679 0.4204 0.2886 0.0138 0.0067 0.0146 79 ASN B CG 3139 O OD1 . ASN B 79 ? 0.4771 0.4339 0.2925 0.0321 0.0084 0.0183 79 ASN B OD1 3140 N ND2 . ASN B 79 ? 0.4903 0.4233 0.2949 -0.0045 0.0081 0.0096 79 ASN B ND2 3141 N N . LEU B 80 ? 0.3556 0.3905 0.2550 0.0097 0.0004 0.0174 80 LEU B N 3142 C CA . LEU B 80 ? 0.3586 0.4128 0.2690 0.0064 0.0023 0.0186 80 LEU B CA 3143 C C . LEU B 80 ? 0.3585 0.4094 0.2762 -0.0010 -0.0004 0.0167 80 LEU B C 3144 O O . LEU B 80 ? 0.3534 0.4131 0.2785 -0.0040 0.0001 0.0165 80 LEU B O 3145 C CB . LEU B 80 ? 0.3678 0.4321 0.2749 0.0028 0.0056 0.0197 80 LEU B CB 3146 C CG . LEU B 80 ? 0.4048 0.4957 0.3157 -0.0084 0.0102 0.0189 80 LEU B CG 3147 C CD1 . LEU B 80 ? 0.4462 0.5520 0.3485 -0.0162 0.0152 0.0183 80 LEU B CD1 3148 C CD2 . LEU B 80 ? 0.4614 0.5352 0.3688 -0.0211 0.0099 0.0179 80 LEU B CD2 3149 N N . ASN B 81 ? 0.3662 0.4061 0.2786 0.0000 -0.0036 0.0151 81 ASN B N 3150 C CA . ASN B 81 ? 0.3783 0.4166 0.2905 0.0015 -0.0069 0.0126 81 ASN B CA 3151 C C . ASN B 81 ? 0.3742 0.4265 0.2985 -0.0009 -0.0089 0.0093 81 ASN B C 3152 O O . ASN B 81 ? 0.3673 0.4232 0.2956 -0.0014 -0.0094 0.0088 81 ASN B O 3153 C CB . ASN B 81 ? 0.3804 0.4123 0.2801 0.0116 -0.0110 0.0099 81 ASN B CB 3154 C CG . ASN B 81 ? 0.4071 0.4362 0.2962 0.0224 -0.0145 0.0073 81 ASN B CG 3155 O OD1 . ASN B 81 ? 0.4244 0.4783 0.3196 0.0305 -0.0196 0.0015 81 ASN B OD1 3156 N ND2 . ASN B 81 ? 0.4201 0.4199 0.2875 0.0219 -0.0112 0.0104 81 ASN B ND2 3157 N N . LYS B 82 ? 0.3912 0.4464 0.3146 -0.0048 -0.0090 0.0067 82 LYS B N 3158 C CA . LYS B 82 ? 0.4242 0.4863 0.3490 -0.0140 -0.0086 0.0025 82 LYS B CA 3159 C C . LYS B 82 ? 0.4279 0.4822 0.3540 -0.0144 -0.0053 0.0062 82 LYS B C 3160 O O . LYS B 82 ? 0.4316 0.4950 0.3651 -0.0183 -0.0059 0.0042 82 LYS B O 3161 C CB . LYS B 82 ? 0.4472 0.4996 0.3551 -0.0246 -0.0067 -0.0014 82 LYS B CB 3162 C CG . LYS B 82 ? 0.4808 0.5306 0.3767 -0.0425 -0.0035 -0.0071 82 LYS B CG 3163 C CD . LYS B 82 ? 0.5260 0.5423 0.3858 -0.0569 0.0018 -0.0098 82 LYS B CD 3164 C CE . LYS B 82 ? 0.5873 0.6020 0.4256 -0.0855 0.0064 -0.0189 82 LYS B CE 3165 N NZ . LYS B 82 ? 0.6299 0.6428 0.4721 -0.0868 0.0083 -0.0177 82 LYS B NZ 3166 N N . LYS B 83 ? 0.4487 0.4918 0.3668 -0.0076 -0.0021 0.0108 83 LYS B N 3167 C CA . LYS B 83 ? 0.4659 0.5108 0.3830 -0.0019 0.0004 0.0135 83 LYS B CA 3168 C C . LYS B 83 ? 0.4501 0.5145 0.3856 -0.0050 -0.0006 0.0139 83 LYS B C 3169 O O . LYS B 83 ? 0.4467 0.5157 0.3855 -0.0051 0.0000 0.0138 83 LYS B O 3170 C CB . LYS B 83 ? 0.4837 0.5301 0.3894 0.0120 0.0031 0.0167 83 LYS B CB 3171 C CG . LYS B 83 ? 0.5553 0.5692 0.4283 0.0206 0.0054 0.0172 83 LYS B CG 3172 C CD . LYS B 83 ? 0.6638 0.6440 0.5075 0.0203 0.0083 0.0161 83 LYS B CD 3173 C CE . LYS B 83 ? 0.7007 0.6916 0.5402 0.0380 0.0093 0.0182 83 LYS B CE 3174 N NZ . LYS B 83 ? 0.7427 0.7105 0.5680 0.0307 0.0111 0.0167 83 LYS B NZ 3175 N N . MET B 84 ? 0.4559 0.5247 0.3958 -0.0081 -0.0015 0.0143 84 MET B N 3176 C CA . MET B 84 ? 0.4721 0.5458 0.4152 -0.0144 -0.0008 0.0144 84 MET B CA 3177 C C . MET B 84 ? 0.4749 0.5439 0.4212 -0.0144 -0.0039 0.0122 84 MET B C 3178 O O . MET B 84 ? 0.4575 0.5314 0.4081 -0.0180 -0.0031 0.0122 84 MET B O 3179 C CB . MET B 84 ? 0.4787 0.5408 0.4082 -0.0198 0.0010 0.0150 84 MET B CB 3180 C CG . MET B 84 ? 0.5086 0.5614 0.4268 -0.0306 0.0035 0.0144 84 MET B CG 3181 S SD . MET B 84 ? 0.5865 0.5974 0.4654 -0.0378 0.0069 0.0146 84 MET B SD 3182 C CE . MET B 84 ? 0.5988 0.5886 0.4679 -0.0132 -0.0004 0.0140 84 MET B CE 3183 N N . GLU B 85 ? 0.4896 0.5559 0.4333 -0.0093 -0.0075 0.0094 85 GLU B N 3184 C CA . GLU B 85 ? 0.5086 0.5832 0.4544 -0.0052 -0.0110 0.0056 85 GLU B CA 3185 C C . GLU B 85 ? 0.5058 0.5940 0.4630 -0.0125 -0.0102 0.0032 85 GLU B C 3186 O O . GLU B 85 ? 0.5070 0.6010 0.4687 -0.0124 -0.0108 0.0023 85 GLU B O 3187 C CB . GLU B 85 ? 0.5145 0.5976 0.4528 0.0057 -0.0154 0.0012 85 GLU B CB 3188 C CG . GLU B 85 ? 0.5536 0.6085 0.4668 0.0172 -0.0156 0.0039 85 GLU B CG 3189 C CD . GLU B 85 ? 0.5803 0.6423 0.4773 0.0380 -0.0210 -0.0007 85 GLU B CD 3190 O OE1 . GLU B 85 ? 0.6079 0.7054 0.5189 0.0386 -0.0244 -0.0065 85 GLU B OE1 3191 O OE2 . GLU B 85 ? 0.6196 0.6493 0.4829 0.0541 -0.0214 0.0008 85 GLU B OE2 3192 N N . ASP B 86 ? 0.5181 0.6034 0.4720 -0.0193 -0.0080 0.0024 86 ASP B N 3193 C CA . ASP B 86 ? 0.5250 0.6050 0.4739 -0.0282 -0.0048 0.0010 86 ASP B CA 3194 C C . ASP B 86 ? 0.5199 0.5925 0.4703 -0.0230 -0.0027 0.0058 86 ASP B C 3195 O O . ASP B 86 ? 0.5250 0.5962 0.4742 -0.0268 -0.0013 0.0047 86 ASP B O 3196 C CB . ASP B 86 ? 0.5545 0.6123 0.4808 -0.0348 -0.0010 0.0001 86 ASP B CB 3197 C CG . ASP B 86 ? 0.5959 0.6667 0.5164 -0.0492 -0.0015 -0.0077 86 ASP B CG 3198 O OD1 . ASP B 86 ? 0.6090 0.7157 0.5464 -0.0480 -0.0061 -0.0128 86 ASP B OD1 3199 O OD2 . ASP B 86 ? 0.6438 0.6888 0.5368 -0.0607 0.0029 -0.0096 86 ASP B OD2 3200 N N . GLY B 87 ? 0.5025 0.5758 0.4541 -0.0156 -0.0020 0.0099 87 GLY B N 3201 C CA . GLY B 87 ? 0.4904 0.5733 0.4450 -0.0109 -0.0004 0.0123 87 GLY B CA 3202 C C . GLY B 87 ? 0.4762 0.5686 0.4422 -0.0166 -0.0016 0.0114 87 GLY B C 3203 O O . GLY B 87 ? 0.4745 0.5715 0.4421 -0.0153 -0.0008 0.0115 87 GLY B O 3204 N N . PHE B 88 ? 0.4696 0.5587 0.4363 -0.0204 -0.0033 0.0107 88 PHE B N 3205 C CA . PHE B 88 ? 0.4786 0.5647 0.4447 -0.0233 -0.0042 0.0099 88 PHE B CA 3206 C C . PHE B 88 ? 0.4856 0.5761 0.4576 -0.0204 -0.0066 0.0071 88 PHE B C 3207 O O . PHE B 88 ? 0.4841 0.5759 0.4582 -0.0216 -0.0067 0.0068 88 PHE B O 3208 C CB . PHE B 88 ? 0.4863 0.5522 0.4337 -0.0234 -0.0044 0.0100 88 PHE B CB 3209 C CG . PHE B 88 ? 0.4923 0.5532 0.4273 -0.0360 0.0003 0.0112 88 PHE B CG 3210 C CD1 . PHE B 88 ? 0.4789 0.5525 0.4143 -0.0493 0.0038 0.0103 88 PHE B CD1 3211 C CD2 . PHE B 88 ? 0.4888 0.5381 0.4104 -0.0375 0.0020 0.0120 88 PHE B CD2 3212 C CE1 . PHE B 88 ? 0.4862 0.5683 0.4093 -0.0676 0.0093 0.0088 88 PHE B CE1 3213 C CE2 . PHE B 88 ? 0.4884 0.5391 0.3964 -0.0548 0.0078 0.0115 88 PHE B CE2 3214 C CZ . PHE B 88 ? 0.4870 0.5577 0.3959 -0.0716 0.0118 0.0092 88 PHE B CZ 3215 N N . LEU B 89 ? 0.5011 0.5977 0.4743 -0.0195 -0.0079 0.0041 89 LEU B N 3216 C CA . LEU B 89 ? 0.5141 0.6262 0.4918 -0.0226 -0.0089 -0.0009 89 LEU B CA 3217 C C . LEU B 89 ? 0.5185 0.6244 0.4957 -0.0302 -0.0053 -0.0001 89 LEU B C 3218 O O . LEU B 89 ? 0.5176 0.6325 0.4993 -0.0324 -0.0054 -0.0023 89 LEU B O 3219 C CB . LEU B 89 ? 0.5184 0.6456 0.4936 -0.0275 -0.0096 -0.0066 89 LEU B CB 3220 C CG . LEU B 89 ? 0.5436 0.6936 0.5185 -0.0423 -0.0077 -0.0144 89 LEU B CG 3221 C CD1 . LEU B 89 ? 0.5583 0.7373 0.5429 -0.0355 -0.0106 -0.0185 89 LEU B CD1 3222 C CD2 . LEU B 89 ? 0.5400 0.7117 0.5093 -0.0528 -0.0077 -0.0220 89 LEU B CD2 3223 N N . ASP B 90 ? 0.5284 0.6170 0.4950 -0.0305 -0.0021 0.0030 90 ASP B N 3224 C CA . ASP B 90 ? 0.5493 0.6228 0.5034 -0.0305 0.0015 0.0043 90 ASP B CA 3225 C C . ASP B 90 ? 0.5366 0.6209 0.5020 -0.0235 0.0004 0.0070 90 ASP B C 3226 O O . ASP B 90 ? 0.5396 0.6195 0.5006 -0.0236 0.0018 0.0068 90 ASP B O 3227 C CB . ASP B 90 ? 0.5766 0.6237 0.5044 -0.0239 0.0050 0.0067 90 ASP B CB 3228 C CG . ASP B 90 ? 0.6326 0.6615 0.5407 -0.0360 0.0075 0.0031 90 ASP B CG 3229 O OD1 . ASP B 90 ? 0.6563 0.6921 0.5632 -0.0542 0.0087 -0.0029 90 ASP B OD1 3230 O OD2 . ASP B 90 ? 0.6919 0.7037 0.5836 -0.0286 0.0087 0.0053 90 ASP B OD2 3231 N N . VAL B 91 ? 0.5222 0.6195 0.4977 -0.0207 -0.0014 0.0088 91 VAL B N 3232 C CA . VAL B 91 ? 0.5107 0.6219 0.4930 -0.0215 -0.0015 0.0095 91 VAL B CA 3233 C C . VAL B 91 ? 0.5168 0.6251 0.5039 -0.0261 -0.0031 0.0079 91 VAL B C 3234 O O . VAL B 91 ? 0.5133 0.6264 0.5028 -0.0263 -0.0026 0.0078 91 VAL B O 3235 C CB . VAL B 91 ? 0.5143 0.6369 0.4968 -0.0267 -0.0008 0.0099 91 VAL B CB 3236 C CG1 . VAL B 91 ? 0.5105 0.6401 0.4921 -0.0380 0.0001 0.0084 91 VAL B CG1 3237 C CG2 . VAL B 91 ? 0.4953 0.6377 0.4754 -0.0185 0.0009 0.0104 91 VAL B CG2 3238 N N . TRP B 92 ? 0.5241 0.6267 0.5097 -0.0260 -0.0052 0.0063 92 TRP B N 3239 C CA . TRP B 92 ? 0.5396 0.6416 0.5241 -0.0237 -0.0071 0.0043 92 TRP B CA 3240 C C . TRP B 92 ? 0.5274 0.6418 0.5191 -0.0253 -0.0069 0.0012 92 TRP B C 3241 O O . TRP B 92 ? 0.5286 0.6465 0.5219 -0.0241 -0.0074 0.0001 92 TRP B O 3242 C CB . TRP B 92 ? 0.5599 0.6527 0.5307 -0.0146 -0.0097 0.0030 92 TRP B CB 3243 C CG . TRP B 92 ? 0.5959 0.6626 0.5463 -0.0184 -0.0078 0.0057 92 TRP B CG 3244 C CD1 . TRP B 92 ? 0.6123 0.6685 0.5529 -0.0205 -0.0066 0.0070 92 TRP B CD1 3245 C CD2 . TRP B 92 ? 0.6263 0.6718 0.5576 -0.0264 -0.0053 0.0065 92 TRP B CD2 3246 N NE1 . TRP B 92 ? 0.6486 0.6785 0.5634 -0.0316 -0.0027 0.0080 92 TRP B NE1 3247 C CE2 . TRP B 92 ? 0.6508 0.6724 0.5573 -0.0370 -0.0016 0.0074 92 TRP B CE2 3248 C CE3 . TRP B 92 ? 0.6378 0.6805 0.5668 -0.0284 -0.0051 0.0058 92 TRP B CE3 3249 C CZ2 . TRP B 92 ? 0.6802 0.6733 0.5547 -0.0544 0.0034 0.0068 92 TRP B CZ2 3250 C CZ3 . TRP B 92 ? 0.6544 0.6691 0.5544 -0.0422 -0.0011 0.0059 92 TRP B CZ3 3251 C CH2 . TRP B 92 ? 0.6852 0.6745 0.5560 -0.0574 0.0036 0.0059 92 TRP B CH2 3252 N N . THR B 93 ? 0.5315 0.6489 0.5219 -0.0310 -0.0050 -0.0009 93 THR B N 3253 C CA . THR B 93 ? 0.5379 0.6603 0.5245 -0.0411 -0.0020 -0.0050 93 THR B CA 3254 C C . THR B 93 ? 0.5458 0.6515 0.5266 -0.0407 0.0007 -0.0016 93 THR B C 3255 O O . THR B 93 ? 0.5459 0.6581 0.5298 -0.0432 0.0011 -0.0033 93 THR B O 3256 C CB . THR B 93 ? 0.5588 0.6757 0.5312 -0.0538 0.0016 -0.0086 93 THR B CB 3257 O OG1 . THR B 93 ? 0.5556 0.6990 0.5363 -0.0526 -0.0019 -0.0131 93 THR B OG1 3258 C CG2 . THR B 93 ? 0.5718 0.6850 0.5277 -0.0730 0.0074 -0.0141 93 THR B CG2 3259 N N . TYR B 94 ? 0.5479 0.6369 0.5188 -0.0341 0.0022 0.0026 94 TYR B N 3260 C CA . TYR B 94 ? 0.5463 0.6279 0.5097 -0.0260 0.0035 0.0054 94 TYR B CA 3261 C C . TYR B 94 ? 0.5287 0.6285 0.5097 -0.0253 0.0007 0.0056 94 TYR B C 3262 O O . TYR B 94 ? 0.5242 0.6211 0.5021 -0.0251 0.0017 0.0052 94 TYR B O 3263 C CB . TYR B 94 ? 0.5521 0.6327 0.5064 -0.0125 0.0037 0.0084 94 TYR B CB 3264 C CG . TYR B 94 ? 0.5505 0.6394 0.4974 0.0023 0.0038 0.0097 94 TYR B CG 3265 C CD1 . TYR B 94 ? 0.5722 0.6319 0.4837 0.0173 0.0071 0.0108 94 TYR B CD1 3266 C CD2 . TYR B 94 ? 0.5266 0.6509 0.4941 0.0015 0.0011 0.0090 94 TYR B CD2 3267 C CE1 . TYR B 94 ? 0.5976 0.6707 0.4987 0.0380 0.0064 0.0113 94 TYR B CE1 3268 C CE2 . TYR B 94 ? 0.5341 0.6799 0.4965 0.0151 0.0007 0.0083 94 TYR B CE2 3269 C CZ . TYR B 94 ? 0.5637 0.6879 0.4953 0.0368 0.0026 0.0095 94 TYR B CZ 3270 O OH . TYR B 94 ? 0.5825 0.7333 0.5058 0.0570 0.0014 0.0081 94 TYR B OH 3271 N N . ASN B 95 ? 0.5190 0.6305 0.5108 -0.0265 -0.0020 0.0060 95 ASN B N 3272 C CA . ASN B 95 ? 0.5141 0.6307 0.5102 -0.0296 -0.0034 0.0057 95 ASN B CA 3273 C C . ASN B 95 ? 0.5129 0.6266 0.5104 -0.0295 -0.0044 0.0037 95 ASN B C 3274 O O . ASN B 95 ? 0.5118 0.6265 0.5099 -0.0302 -0.0043 0.0037 95 ASN B O 3275 C CB . ASN B 95 ? 0.5249 0.6356 0.5146 -0.0342 -0.0041 0.0058 95 ASN B CB 3276 C CG . ASN B 95 ? 0.5322 0.6565 0.5202 -0.0410 -0.0022 0.0060 95 ASN B CG 3277 O OD1 . ASN B 95 ? 0.5266 0.6733 0.5204 -0.0369 -0.0014 0.0058 95 ASN B OD1 3278 N ND2 . ASN B 95 ? 0.5560 0.6685 0.5304 -0.0503 -0.0008 0.0057 95 ASN B ND2 3279 N N . ALA B 96 ? 0.5067 0.6238 0.5046 -0.0277 -0.0055 0.0011 96 ALA B N 3280 C CA . ALA B 96 ? 0.5064 0.6352 0.5060 -0.0249 -0.0066 -0.0027 96 ALA B CA 3281 C C . ALA B 96 ? 0.5049 0.6381 0.5064 -0.0333 -0.0031 -0.0044 96 ALA B C 3282 O O . ALA B 96 ? 0.5042 0.6420 0.5073 -0.0322 -0.0032 -0.0054 96 ALA B O 3283 C CB . ALA B 96 ? 0.5099 0.6578 0.5091 -0.0192 -0.0088 -0.0073 96 ALA B CB 3284 N N . GLU B 97 ? 0.5102 0.6343 0.5036 -0.0418 0.0007 -0.0047 97 GLU B N 3285 C CA . GLU B 97 ? 0.5194 0.6316 0.4984 -0.0522 0.0060 -0.0066 97 GLU B CA 3286 C C . GLU B 97 ? 0.5252 0.6193 0.4972 -0.0445 0.0069 -0.0023 97 GLU B C 3287 O O . GLU B 97 ? 0.5314 0.6188 0.4944 -0.0498 0.0100 -0.0039 97 GLU B O 3288 C CB . GLU B 97 ? 0.5403 0.6308 0.4953 -0.0637 0.0113 -0.0081 97 GLU B CB 3289 C CG . GLU B 97 ? 0.5445 0.6616 0.5021 -0.0798 0.0126 -0.0159 97 GLU B CG 3290 C CD . GLU B 97 ? 0.5932 0.6837 0.5220 -0.0947 0.0182 -0.0178 97 GLU B CD 3291 O OE1 . GLU B 97 ? 0.6156 0.6585 0.5153 -0.0889 0.0217 -0.0126 97 GLU B OE1 3292 O OE2 . GLU B 97 ? 0.6087 0.7270 0.5396 -0.1102 0.0190 -0.0252 97 GLU B OE2 3293 N N . LEU B 98 ? 0.5165 0.6088 0.4915 -0.0328 0.0043 0.0020 98 LEU B N 3294 C CA . LEU B 98 ? 0.5214 0.6120 0.4918 -0.0229 0.0040 0.0043 98 LEU B CA 3295 C C . LEU B 98 ? 0.5098 0.6168 0.4965 -0.0247 0.0011 0.0037 98 LEU B C 3296 O O . LEU B 98 ? 0.5112 0.6158 0.4933 -0.0217 0.0019 0.0038 98 LEU B O 3297 C CB . LEU B 98 ? 0.5175 0.6177 0.4855 -0.0107 0.0026 0.0065 98 LEU B CB 3298 C CG . LEU B 98 ? 0.5279 0.6399 0.4879 0.0042 0.0020 0.0069 98 LEU B CG 3299 C CD1 . LEU B 98 ? 0.5446 0.6208 0.4696 0.0162 0.0060 0.0079 98 LEU B CD1 3300 C CD2 . LEU B 98 ? 0.5324 0.6747 0.4944 0.0156 0.0002 0.0065 98 LEU B CD2 3301 N N . LEU B 99 ? 0.4985 0.6147 0.4963 -0.0283 -0.0017 0.0032 99 LEU B N 3302 C CA . LEU B 99 ? 0.5022 0.6202 0.5021 -0.0301 -0.0036 0.0025 99 LEU B CA 3303 C C . LEU B 99 ? 0.4963 0.6140 0.4970 -0.0293 -0.0028 0.0006 99 LEU B C 3304 O O . LEU B 99 ? 0.5017 0.6187 0.5016 -0.0288 -0.0030 0.0007 99 LEU B O 3305 C CB . LEU B 99 ? 0.5124 0.6220 0.5059 -0.0311 -0.0053 0.0022 99 LEU B CB 3306 C CG . LEU B 99 ? 0.5392 0.6321 0.5168 -0.0318 -0.0061 0.0016 99 LEU B CG 3307 C CD1 . LEU B 99 ? 0.5595 0.6564 0.5349 -0.0422 -0.0049 0.0013 99 LEU B CD1 3308 C CD2 . LEU B 99 ? 0.5570 0.6258 0.5117 -0.0320 -0.0061 0.0018 99 LEU B CD2 3309 N N . VAL B 100 ? 0.4862 0.6097 0.4876 -0.0316 -0.0015 -0.0021 100 VAL B N 3310 C CA . VAL B 100 ? 0.4769 0.6119 0.4787 -0.0352 0.0004 -0.0061 100 VAL B CA 3311 C C . VAL B 100 ? 0.4791 0.5996 0.4705 -0.0415 0.0050 -0.0056 100 VAL B C 3312 O O . VAL B 100 ? 0.4707 0.5950 0.4629 -0.0414 0.0055 -0.0067 100 VAL B O 3313 C CB . VAL B 100 ? 0.4751 0.6342 0.4790 -0.0407 0.0014 -0.0120 100 VAL B CB 3314 C CG1 . VAL B 100 ? 0.4758 0.6567 0.4778 -0.0521 0.0056 -0.0184 100 VAL B CG1 3315 C CG2 . VAL B 100 ? 0.4819 0.6557 0.4891 -0.0252 -0.0040 -0.0132 100 VAL B CG2 3316 N N . LEU B 101 ? 0.4867 0.5851 0.4613 -0.0442 0.0086 -0.0038 101 LEU B N 3317 C CA . LEU B 101 ? 0.5044 0.5746 0.4538 -0.0435 0.0134 -0.0025 101 LEU B CA 3318 C C . LEU B 101 ? 0.4913 0.5665 0.4479 -0.0300 0.0098 0.0005 101 LEU B C 3319 O O . LEU B 101 ? 0.4898 0.5552 0.4362 -0.0299 0.0120 0.0001 101 LEU B O 3320 C CB . LEU B 101 ? 0.5352 0.5718 0.4535 -0.0384 0.0170 -0.0002 101 LEU B CB 3321 C CG . LEU B 101 ? 0.5707 0.5824 0.4616 -0.0543 0.0234 -0.0030 101 LEU B CG 3322 C CD1 . LEU B 101 ? 0.6066 0.5663 0.4488 -0.0409 0.0277 0.0005 101 LEU B CD1 3323 C CD2 . LEU B 101 ? 0.5754 0.5840 0.4516 -0.0809 0.0305 -0.0096 101 LEU B CD2 3324 N N . MET B 102 ? 0.4706 0.5631 0.4421 -0.0218 0.0048 0.0024 102 MET B N 3325 C CA . MET B 102 ? 0.4719 0.5789 0.4488 -0.0143 0.0018 0.0031 102 MET B CA 3326 C C . MET B 102 ? 0.4531 0.5666 0.4412 -0.0209 0.0001 0.0017 102 MET B C 3327 O O . MET B 102 ? 0.4460 0.5610 0.4312 -0.0177 -0.0001 0.0015 102 MET B O 3328 C CB . MET B 102 ? 0.4564 0.5868 0.4421 -0.0122 -0.0013 0.0031 102 MET B CB 3329 C CG . MET B 102 ? 0.4792 0.6124 0.4511 0.0026 -0.0005 0.0040 102 MET B CG 3330 S SD . MET B 102 ? 0.4971 0.6746 0.4831 -0.0002 -0.0034 0.0016 102 MET B SD 3331 C CE . MET B 102 ? 0.5118 0.7118 0.4781 0.0299 -0.0039 0.0007 102 MET B CE 3332 N N . GLU B 103 ? 0.4419 0.5572 0.4377 -0.0264 -0.0013 0.0007 103 GLU B N 3333 C CA . GLU B 103 ? 0.4408 0.5553 0.4371 -0.0268 -0.0028 -0.0005 103 GLU B CA 3334 C C . GLU B 103 ? 0.4232 0.5396 0.4191 -0.0266 -0.0003 -0.0025 103 GLU B C 3335 O O . GLU B 103 ? 0.4173 0.5328 0.4117 -0.0244 -0.0011 -0.0029 103 GLU B O 3336 C CB . GLU B 103 ? 0.4627 0.5712 0.4537 -0.0252 -0.0050 -0.0011 103 GLU B CB 3337 C CG . GLU B 103 ? 0.5272 0.6257 0.5077 -0.0327 -0.0057 -0.0002 103 GLU B CG 3338 C CD . GLU B 103 ? 0.6213 0.7249 0.5983 -0.0414 -0.0053 -0.0011 103 GLU B CD 3339 O OE1 . GLU B 103 ? 0.6457 0.7412 0.6169 -0.0396 -0.0056 -0.0017 103 GLU B OE1 3340 O OE2 . GLU B 103 ? 0.6335 0.7559 0.6132 -0.0497 -0.0049 -0.0022 103 GLU B OE2 3341 N N . ASN B 104 ? 0.4048 0.5229 0.3978 -0.0324 0.0036 -0.0044 104 ASN B N 3342 C CA . ASN B 104 ? 0.4076 0.5283 0.3939 -0.0403 0.0084 -0.0078 104 ASN B CA 3343 C C . ASN B 104 ? 0.4156 0.5146 0.3881 -0.0382 0.0107 -0.0053 104 ASN B C 3344 O O . ASN B 104 ? 0.4146 0.5164 0.3859 -0.0398 0.0121 -0.0068 104 ASN B O 3345 C CB . ASN B 104 ? 0.4165 0.5386 0.3917 -0.0559 0.0143 -0.0119 104 ASN B CB 3346 C CG . ASN B 104 ? 0.4067 0.5665 0.3962 -0.0579 0.0123 -0.0174 104 ASN B CG 3347 O OD1 . ASN B 104 ? 0.4101 0.5890 0.4120 -0.0429 0.0066 -0.0177 104 ASN B OD1 3348 N ND2 . ASN B 104 ? 0.3921 0.5602 0.3727 -0.0753 0.0173 -0.0225 104 ASN B ND2 3349 N N . GLU B 105 ? 0.4206 0.5007 0.3800 -0.0312 0.0110 -0.0020 105 GLU B N 3350 C CA . GLU B 105 ? 0.4422 0.5059 0.3844 -0.0207 0.0119 0.0001 105 GLU B CA 3351 C C . GLU B 105 ? 0.4202 0.5039 0.3801 -0.0161 0.0069 0.0002 105 GLU B C 3352 O O . GLU B 105 ? 0.4235 0.4997 0.3753 -0.0145 0.0085 -0.0002 105 GLU B O 3353 C CB . GLU B 105 ? 0.4603 0.5135 0.3851 -0.0051 0.0111 0.0026 105 GLU B CB 3354 C CG . GLU B 105 ? 0.5176 0.5520 0.4123 0.0140 0.0124 0.0039 105 GLU B CG 3355 C CD . GLU B 105 ? 0.6042 0.5819 0.4494 0.0114 0.0213 0.0043 105 GLU B CD 3356 O OE1 . GLU B 105 ? 0.6482 0.5960 0.4681 0.0045 0.0264 0.0042 105 GLU B OE1 3357 O OE2 . GLU B 105 ? 0.6334 0.5913 0.4587 0.0136 0.0243 0.0041 105 GLU B OE2 3358 N N . HIS B 106 ? 0.3971 0.5005 0.3745 -0.0166 0.0019 0.0002 106 HIS B N 3359 C CA . HIS B 106 ? 0.3931 0.5074 0.3770 -0.0181 -0.0015 -0.0007 106 HIS B CA 3360 C C . HIS B 106 ? 0.3885 0.4962 0.3733 -0.0207 -0.0012 -0.0018 106 HIS B C 3361 O O . HIS B 106 ? 0.3917 0.4984 0.3734 -0.0197 -0.0020 -0.0022 106 HIS B O 3362 C CB . HIS B 106 ? 0.3965 0.5223 0.3847 -0.0249 -0.0044 -0.0015 106 HIS B CB 3363 C CG . HIS B 106 ? 0.4474 0.5750 0.4297 -0.0337 -0.0060 -0.0037 106 HIS B CG 3364 N ND1 . HIS B 106 ? 0.4938 0.5981 0.4633 -0.0396 -0.0060 -0.0040 106 HIS B ND1 3365 C CD2 . HIS B 106 ? 0.4980 0.6448 0.4784 -0.0370 -0.0070 -0.0063 106 HIS B CD2 3366 C CE1 . HIS B 106 ? 0.5378 0.6382 0.4937 -0.0502 -0.0062 -0.0064 106 HIS B CE1 3367 N NE2 . HIS B 106 ? 0.5316 0.6634 0.4979 -0.0510 -0.0070 -0.0084 106 HIS B NE2 3368 N N . THR B 107 ? 0.3744 0.4834 0.3623 -0.0218 -0.0002 -0.0030 107 THR B N 3369 C CA . THR B 107 ? 0.3724 0.4867 0.3593 -0.0183 -0.0001 -0.0055 107 THR B CA 3370 C C . THR B 107 ? 0.3768 0.4926 0.3614 -0.0211 0.0037 -0.0067 107 THR B C 3371 O O . THR B 107 ? 0.3766 0.4922 0.3585 -0.0166 0.0029 -0.0074 107 THR B O 3372 C CB . THR B 107 ? 0.3671 0.4994 0.3578 -0.0157 0.0002 -0.0087 107 THR B CB 3373 O OG1 . THR B 107 ? 0.3708 0.4932 0.3552 -0.0087 -0.0035 -0.0074 107 THR B OG1 3374 C CG2 . THR B 107 ? 0.3632 0.5177 0.3528 -0.0079 0.0006 -0.0133 107 THR B CG2 3375 N N . LEU B 108 ? 0.3843 0.4940 0.3621 -0.0292 0.0089 -0.0071 108 LEU B N 3376 C CA . LEU B 108 ? 0.4001 0.4998 0.3638 -0.0356 0.0146 -0.0085 108 LEU B CA 3377 C C . LEU B 108 ? 0.4056 0.4900 0.3628 -0.0259 0.0125 -0.0053 108 LEU B C 3378 O O . LEU B 108 ? 0.4167 0.4995 0.3695 -0.0264 0.0143 -0.0064 108 LEU B O 3379 C CB . LEU B 108 ? 0.4188 0.4973 0.3588 -0.0489 0.0224 -0.0098 108 LEU B CB 3380 C CG . LEU B 108 ? 0.4165 0.5167 0.3602 -0.0650 0.0259 -0.0152 108 LEU B CG 3381 C CD1 . LEU B 108 ? 0.4514 0.5177 0.3574 -0.0851 0.0361 -0.0175 108 LEU B CD1 3382 C CD2 . LEU B 108 ? 0.3965 0.5435 0.3573 -0.0695 0.0258 -0.0219 108 LEU B CD2 3383 N N . ASP B 109 ? 0.4023 0.4838 0.3599 -0.0171 0.0084 -0.0025 109 ASP B N 3384 C CA . ASP B 109 ? 0.4080 0.4906 0.3613 -0.0073 0.0054 -0.0015 109 ASP B CA 3385 C C . ASP B 109 ? 0.3851 0.4808 0.3506 -0.0100 0.0010 -0.0027 109 ASP B C 3386 O O . ASP B 109 ? 0.3799 0.4768 0.3409 -0.0065 -0.0002 -0.0032 109 ASP B O 3387 C CB . ASP B 109 ? 0.4122 0.5041 0.3614 0.0030 0.0026 -0.0006 109 ASP B CB 3388 C CG . ASP B 109 ? 0.4716 0.5356 0.3907 0.0140 0.0074 0.0010 109 ASP B CG 3389 O OD1 . ASP B 109 ? 0.5338 0.5656 0.4272 0.0134 0.0132 0.0014 109 ASP B OD1 3390 O OD2 . ASP B 109 ? 0.5218 0.5905 0.4355 0.0232 0.0061 0.0017 109 ASP B OD2 3391 N N . PHE B 110 ? 0.3706 0.4699 0.3436 -0.0152 -0.0010 -0.0032 110 PHE B N 3392 C CA . PHE B 110 ? 0.3720 0.4655 0.3399 -0.0173 -0.0035 -0.0043 110 PHE B CA 3393 C C . PHE B 110 ? 0.3749 0.4637 0.3393 -0.0119 -0.0019 -0.0050 110 PHE B C 3394 O O . PHE B 110 ? 0.3816 0.4628 0.3377 -0.0112 -0.0031 -0.0055 110 PHE B O 3395 C CB . PHE B 110 ? 0.3760 0.4613 0.3388 -0.0188 -0.0047 -0.0044 110 PHE B CB 3396 C CG . PHE B 110 ? 0.3984 0.4588 0.3374 -0.0173 -0.0060 -0.0052 110 PHE B CG 3397 C CD1 . PHE B 110 ? 0.4303 0.4765 0.3516 -0.0289 -0.0064 -0.0065 110 PHE B CD1 3398 C CD2 . PHE B 110 ? 0.4095 0.4599 0.3362 -0.0032 -0.0063 -0.0057 110 PHE B CD2 3399 C CE1 . PHE B 110 ? 0.4734 0.4801 0.3575 -0.0291 -0.0060 -0.0073 110 PHE B CE1 3400 C CE2 . PHE B 110 ? 0.4634 0.4773 0.3529 0.0049 -0.0069 -0.0061 110 PHE B CE2 3401 C CZ . PHE B 110 ? 0.4757 0.4599 0.3400 -0.0095 -0.0063 -0.0065 110 PHE B CZ 3402 N N . HIS B 111 ? 0.3697 0.4680 0.3392 -0.0103 0.0013 -0.0063 111 HIS B N 3403 C CA . HIS B 111 ? 0.3723 0.4784 0.3397 -0.0070 0.0038 -0.0087 111 HIS B CA 3404 C C . HIS B 111 ? 0.3756 0.4717 0.3375 -0.0099 0.0063 -0.0077 111 HIS B C 3405 O O . HIS B 111 ? 0.3856 0.4796 0.3430 -0.0056 0.0059 -0.0083 111 HIS B O 3406 C CB . HIS B 111 ? 0.3628 0.4944 0.3360 -0.0119 0.0082 -0.0129 111 HIS B CB 3407 C CG . HIS B 111 ? 0.3686 0.5200 0.3446 -0.0014 0.0051 -0.0155 111 HIS B CG 3408 N ND1 . HIS B 111 ? 0.3806 0.5317 0.3451 0.0177 0.0013 -0.0165 111 HIS B ND1 3409 C CD2 . HIS B 111 ? 0.3684 0.5368 0.3507 -0.0038 0.0053 -0.0175 111 HIS B CD2 3410 C CE1 . HIS B 111 ? 0.3674 0.5343 0.3286 0.0302 -0.0010 -0.0189 111 HIS B CE1 3411 N NE2 . HIS B 111 ? 0.3673 0.5491 0.3430 0.0161 0.0011 -0.0198 111 HIS B NE2 3412 N N . ASP B 112 ? 0.3767 0.4626 0.3331 -0.0135 0.0088 -0.0061 112 ASP B N 3413 C CA . ASP B 112 ? 0.3961 0.4655 0.3370 -0.0103 0.0112 -0.0049 112 ASP B CA 3414 C C . ASP B 112 ? 0.3892 0.4629 0.3326 -0.0027 0.0055 -0.0043 112 ASP B C 3415 O O . ASP B 112 ? 0.3913 0.4592 0.3275 0.0003 0.0063 -0.0046 112 ASP B O 3416 C CB . ASP B 112 ? 0.4130 0.4643 0.3361 -0.0072 0.0140 -0.0032 112 ASP B CB 3417 C CG . ASP B 112 ? 0.4640 0.4836 0.3536 -0.0011 0.0193 -0.0022 112 ASP B CG 3418 O OD1 . ASP B 112 ? 0.4911 0.5040 0.3739 -0.0043 0.0222 -0.0032 112 ASP B OD1 3419 O OD2 . ASP B 112 ? 0.5057 0.5025 0.3691 0.0097 0.0209 -0.0005 112 ASP B OD2 3420 N N . SER B 113 ? 0.3768 0.4626 0.3279 -0.0032 0.0005 -0.0044 113 SER B N 3421 C CA . SER B 113 ? 0.3745 0.4701 0.3248 -0.0056 -0.0040 -0.0062 113 SER B CA 3422 C C . SER B 113 ? 0.3851 0.4669 0.3293 -0.0088 -0.0043 -0.0070 113 SER B C 3423 O O . SER B 113 ? 0.3871 0.4684 0.3242 -0.0092 -0.0057 -0.0083 113 SER B O 3424 C CB . SER B 113 ? 0.3685 0.4783 0.3228 -0.0146 -0.0068 -0.0078 113 SER B CB 3425 O OG . SER B 113 ? 0.3875 0.5017 0.3330 -0.0273 -0.0091 -0.0113 113 SER B OG 3426 N N . ASN B 114 ? 0.3833 0.4554 0.3262 -0.0076 -0.0033 -0.0066 114 ASN B N 3427 C CA . ASN B 114 ? 0.4030 0.4584 0.3306 -0.0026 -0.0038 -0.0074 114 ASN B CA 3428 C C . ASN B 114 ? 0.4059 0.4652 0.3348 0.0038 -0.0016 -0.0077 114 ASN B C 3429 O O . ASN B 114 ? 0.4274 0.4728 0.3419 0.0069 -0.0027 -0.0083 114 ASN B O 3430 C CB . ASN B 114 ? 0.4064 0.4578 0.3278 0.0065 -0.0037 -0.0077 114 ASN B CB 3431 C CG . ASN B 114 ? 0.4253 0.4586 0.3327 0.0007 -0.0055 -0.0073 114 ASN B CG 3432 O OD1 . ASN B 114 ? 0.4620 0.4835 0.3586 -0.0141 -0.0063 -0.0079 114 ASN B OD1 3433 N ND2 . ASN B 114 ? 0.3998 0.4348 0.3050 0.0107 -0.0056 -0.0075 114 ASN B ND2 3434 N N . VAL B 115 ? 0.4024 0.4758 0.3425 0.0033 0.0026 -0.0078 115 VAL B N 3435 C CA . VAL B 115 ? 0.3968 0.4714 0.3334 0.0043 0.0067 -0.0087 115 VAL B CA 3436 C C . VAL B 115 ? 0.4042 0.4668 0.3333 0.0054 0.0050 -0.0073 115 VAL B C 3437 O O . VAL B 115 ? 0.4157 0.4730 0.3381 0.0090 0.0049 -0.0078 115 VAL B O 3438 C CB . VAL B 115 ? 0.3986 0.4803 0.3354 -0.0046 0.0140 -0.0101 115 VAL B CB 3439 C CG1 . VAL B 115 ? 0.3906 0.4644 0.3142 -0.0082 0.0198 -0.0112 115 VAL B CG1 3440 C CG2 . VAL B 115 ? 0.3769 0.4860 0.3229 -0.0074 0.0158 -0.0139 115 VAL B CG2 3441 N N . LYS B 116 ? 0.4009 0.4642 0.3299 0.0054 0.0035 -0.0062 116 LYS B N 3442 C CA . LYS B 116 ? 0.4145 0.4796 0.3355 0.0115 0.0009 -0.0065 116 LYS B CA 3443 C C . LYS B 116 ? 0.4135 0.4857 0.3343 0.0065 -0.0041 -0.0088 116 LYS B C 3444 O O . LYS B 116 ? 0.4076 0.4796 0.3209 0.0098 -0.0052 -0.0100 116 LYS B O 3445 C CB . LYS B 116 ? 0.4169 0.4927 0.3353 0.0183 -0.0007 -0.0063 116 LYS B CB 3446 C CG . LYS B 116 ? 0.4522 0.5404 0.3586 0.0322 -0.0038 -0.0080 116 LYS B CG 3447 C CD . LYS B 116 ? 0.5069 0.6269 0.4142 0.0415 -0.0080 -0.0103 116 LYS B CD 3448 C CE . LYS B 116 ? 0.5501 0.7052 0.4505 0.0549 -0.0130 -0.0150 116 LYS B CE 3449 N NZ . LYS B 116 ? 0.5902 0.7200 0.4603 0.0816 -0.0106 -0.0128 116 LYS B NZ 3450 N N . ASN B 117 ? 0.4190 0.4917 0.3410 -0.0035 -0.0063 -0.0100 117 ASN B N 3451 C CA . ASN B 117 ? 0.4419 0.5067 0.3489 -0.0152 -0.0088 -0.0130 117 ASN B CA 3452 C C . ASN B 117 ? 0.4553 0.4933 0.3468 -0.0100 -0.0076 -0.0123 117 ASN B C 3453 O O . ASN B 117 ? 0.4794 0.5098 0.3554 -0.0165 -0.0090 -0.0148 117 ASN B O 3454 C CB . ASN B 117 ? 0.4534 0.5097 0.3515 -0.0286 -0.0092 -0.0142 117 ASN B CB 3455 C CG . ASN B 117 ? 0.4597 0.5517 0.3686 -0.0388 -0.0110 -0.0174 117 ASN B CG 3456 O OD1 . ASN B 117 ? 0.4379 0.5638 0.3572 -0.0326 -0.0128 -0.0195 117 ASN B OD1 3457 N ND2 . ASN B 117 ? 0.4684 0.5546 0.3710 -0.0515 -0.0103 -0.0183 117 ASN B ND2 3458 N N . LEU B 118 ? 0.4539 0.4842 0.3488 0.0018 -0.0050 -0.0100 118 LEU B N 3459 C CA . LEU B 118 ? 0.4655 0.4811 0.3470 0.0125 -0.0038 -0.0100 118 LEU B CA 3460 C C . LEU B 118 ? 0.4565 0.4799 0.3435 0.0151 -0.0024 -0.0100 118 LEU B C 3461 O O . LEU B 118 ? 0.4705 0.4790 0.3415 0.0175 -0.0032 -0.0108 118 LEU B O 3462 C CB . LEU B 118 ? 0.4631 0.4883 0.3493 0.0254 -0.0013 -0.0100 118 LEU B CB 3463 C CG . LEU B 118 ? 0.4833 0.5063 0.3551 0.0420 -0.0002 -0.0114 118 LEU B CG 3464 C CD1 . LEU B 118 ? 0.5357 0.5145 0.3674 0.0485 -0.0029 -0.0113 118 LEU B CD1 3465 C CD2 . LEU B 118 ? 0.4767 0.5294 0.3553 0.0558 0.0017 -0.0139 118 LEU B CD2 3466 N N . TYR B 119 ? 0.4340 0.4726 0.3353 0.0150 0.0003 -0.0091 119 TYR B N 3467 C CA . TYR B 119 ? 0.4419 0.4791 0.3390 0.0187 0.0023 -0.0088 119 TYR B CA 3468 C C . TYR B 119 ? 0.4489 0.4884 0.3387 0.0177 -0.0028 -0.0105 119 TYR B C 3469 O O . TYR B 119 ? 0.4535 0.4862 0.3343 0.0213 -0.0029 -0.0111 119 TYR B O 3470 C CB . TYR B 119 ? 0.4353 0.4720 0.3317 0.0195 0.0068 -0.0074 119 TYR B CB 3471 C CG . TYR B 119 ? 0.4603 0.4824 0.3391 0.0259 0.0102 -0.0069 119 TYR B CG 3472 C CD1 . TYR B 119 ? 0.4831 0.4946 0.3525 0.0220 0.0173 -0.0073 119 TYR B CD1 3473 C CD2 . TYR B 119 ? 0.4804 0.5028 0.3480 0.0374 0.0067 -0.0068 119 TYR B CD2 3474 C CE1 . TYR B 119 ? 0.4943 0.4836 0.3398 0.0269 0.0215 -0.0067 119 TYR B CE1 3475 C CE2 . TYR B 119 ? 0.5255 0.5285 0.3690 0.0482 0.0097 -0.0062 119 TYR B CE2 3476 C CZ . TYR B 119 ? 0.5048 0.4852 0.3354 0.0417 0.0174 -0.0056 119 TYR B CZ 3477 O OH . TYR B 119 ? 0.5559 0.5092 0.3555 0.0517 0.0213 -0.0048 119 TYR B OH 3478 N N . ASP B 120 ? 0.4474 0.5034 0.3410 0.0114 -0.0067 -0.0124 120 ASP B N 3479 C CA . ASP B 120 ? 0.4659 0.5419 0.3537 0.0062 -0.0113 -0.0169 120 ASP B CA 3480 C C . ASP B 120 ? 0.4864 0.5448 0.3569 -0.0082 -0.0125 -0.0197 120 ASP B C 3481 O O . ASP B 120 ? 0.4997 0.5657 0.3611 -0.0114 -0.0145 -0.0231 120 ASP B O 3482 C CB . ASP B 120 ? 0.4604 0.5707 0.3560 0.0001 -0.0144 -0.0203 120 ASP B CB 3483 C CG . ASP B 120 ? 0.4854 0.6103 0.3856 0.0202 -0.0139 -0.0184 120 ASP B CG 3484 O OD1 . ASP B 120 ? 0.5219 0.6335 0.4111 0.0375 -0.0121 -0.0162 120 ASP B OD1 3485 O OD2 . ASP B 120 ? 0.5033 0.6478 0.4108 0.0195 -0.0150 -0.0192 120 ASP B OD2 3486 N N . LYS B 121 ? 0.5047 0.5347 0.3635 -0.0150 -0.0109 -0.0185 121 LYS B N 3487 C CA . LYS B 121 ? 0.5520 0.5441 0.3771 -0.0243 -0.0105 -0.0203 121 LYS B CA 3488 C C . LYS B 121 ? 0.5602 0.5372 0.3780 -0.0103 -0.0096 -0.0187 121 LYS B C 3489 O O . LYS B 121 ? 0.5856 0.5507 0.3822 -0.0194 -0.0107 -0.0219 121 LYS B O 3490 C CB . LYS B 121 ? 0.5768 0.5337 0.3827 -0.0214 -0.0085 -0.0180 121 LYS B CB 3491 C CG . LYS B 121 ? 0.6596 0.5614 0.4112 -0.0326 -0.0071 -0.0204 121 LYS B CG 3492 C CD . LYS B 121 ? 0.7255 0.5859 0.4482 -0.0196 -0.0053 -0.0177 121 LYS B CD 3493 C CE . LYS B 121 ? 0.8281 0.6118 0.4751 -0.0295 -0.0024 -0.0199 121 LYS B CE 3494 N NZ . LYS B 121 ? 0.8802 0.6381 0.4997 -0.0274 -0.0020 -0.0212 121 LYS B NZ 3495 N N . VAL B 122 ? 0.5452 0.5263 0.3791 0.0085 -0.0071 -0.0148 122 VAL B N 3496 C CA . VAL B 122 ? 0.5531 0.5272 0.3824 0.0212 -0.0053 -0.0138 122 VAL B CA 3497 C C . VAL B 122 ? 0.5527 0.5425 0.3884 0.0189 -0.0067 -0.0151 122 VAL B C 3498 O O . VAL B 122 ? 0.5700 0.5469 0.3897 0.0192 -0.0075 -0.0165 122 VAL B O 3499 C CB . VAL B 122 ? 0.5359 0.5240 0.3811 0.0348 -0.0008 -0.0118 122 VAL B CB 3500 C CG1 . VAL B 122 ? 0.5320 0.5229 0.3753 0.0437 0.0025 -0.0118 122 VAL B CG1 3501 C CG2 . VAL B 122 ? 0.5373 0.5160 0.3704 0.0443 -0.0007 -0.0119 122 VAL B CG2 3502 N N . ARG B 123 ? 0.5412 0.5564 0.3944 0.0197 -0.0071 -0.0149 123 ARG B N 3503 C CA . ARG B 123 ? 0.5460 0.5779 0.3986 0.0258 -0.0089 -0.0165 123 ARG B CA 3504 C C . ARG B 123 ? 0.5677 0.6151 0.4101 0.0138 -0.0142 -0.0224 123 ARG B C 3505 O O . ARG B 123 ? 0.5677 0.6160 0.4011 0.0181 -0.0154 -0.0241 123 ARG B O 3506 C CB . ARG B 123 ? 0.5280 0.5783 0.3888 0.0348 -0.0086 -0.0156 123 ARG B CB 3507 C CG . ARG B 123 ? 0.5418 0.6093 0.3924 0.0504 -0.0112 -0.0177 123 ARG B CG 3508 C CD . ARG B 123 ? 0.5573 0.6341 0.4027 0.0669 -0.0109 -0.0167 123 ARG B CD 3509 N NE . ARG B 123 ? 0.5728 0.6834 0.4334 0.0589 -0.0148 -0.0197 123 ARG B NE 3510 C CZ . ARG B 123 ? 0.5756 0.7374 0.4409 0.0569 -0.0212 -0.0268 123 ARG B CZ 3511 N NH1 . ARG B 123 ? 0.5691 0.7564 0.4262 0.0635 -0.0251 -0.0319 123 ARG B NH1 3512 N NH2 . ARG B 123 ? 0.5272 0.7205 0.4050 0.0461 -0.0234 -0.0300 123 ARG B NH2 3513 N N . MET B 124 ? 0.5848 0.6459 0.4258 -0.0045 -0.0165 -0.0265 124 MET B N 3514 C CA . MET B 124 ? 0.6257 0.7086 0.4527 -0.0260 -0.0198 -0.0348 124 MET B CA 3515 C C . MET B 124 ? 0.6553 0.6947 0.4507 -0.0391 -0.0183 -0.0360 124 MET B C 3516 O O . MET B 124 ? 0.6770 0.7295 0.4548 -0.0585 -0.0201 -0.0435 124 MET B O 3517 C CB . MET B 124 ? 0.6181 0.7270 0.4463 -0.0482 -0.0207 -0.0400 124 MET B CB 3518 C CG . MET B 124 ? 0.6153 0.7817 0.4692 -0.0333 -0.0237 -0.0416 124 MET B CG 3519 S SD . MET B 124 ? 0.6421 0.8474 0.5025 -0.0562 -0.0241 -0.0475 124 MET B SD 3520 C CE . MET B 124 ? 0.6497 0.9173 0.4961 -0.0887 -0.0268 -0.0628 124 MET B CE 3521 N N . GLN B 125 ? 0.6725 0.6636 0.4574 -0.0270 -0.0149 -0.0297 125 GLN B N 3522 C CA . GLN B 125 ? 0.7083 0.6507 0.4563 -0.0291 -0.0132 -0.0298 125 GLN B CA 3523 C C . GLN B 125 ? 0.6980 0.6402 0.4513 -0.0106 -0.0132 -0.0275 125 GLN B C 3524 O O . GLN B 125 ? 0.7305 0.6516 0.4565 -0.0177 -0.0137 -0.0305 125 GLN B O 3525 C CB . GLN B 125 ? 0.7357 0.6295 0.4599 -0.0202 -0.0101 -0.0256 125 GLN B CB 3526 C CG . GLN B 125 ? 0.8150 0.6478 0.4856 -0.0178 -0.0081 -0.0259 125 GLN B CG 3527 C CD . GLN B 125 ? 0.8904 0.6633 0.5087 -0.0226 -0.0054 -0.0260 125 GLN B CD 3528 O OE1 . GLN B 125 ? 0.8784 0.6427 0.4987 0.0004 -0.0045 -0.0218 125 GLN B OE1 3529 N NE2 . GLN B 125 ? 0.9432 0.6718 0.5068 -0.0539 -0.0032 -0.0316 125 GLN B NE2 3530 N N . LEU B 126 ? 0.6617 0.6235 0.4444 0.0100 -0.0118 -0.0229 126 LEU B N 3531 C CA . LEU B 126 ? 0.6447 0.6045 0.4297 0.0256 -0.0101 -0.0208 126 LEU B CA 3532 C C . LEU B 126 ? 0.6445 0.6315 0.4335 0.0260 -0.0135 -0.0241 126 LEU B C 3533 O O . LEU B 126 ? 0.6428 0.6208 0.4215 0.0325 -0.0134 -0.0244 126 LEU B O 3534 C CB . LEU B 126 ? 0.6210 0.5859 0.4246 0.0405 -0.0049 -0.0161 126 LEU B CB 3535 C CG . LEU B 126 ? 0.6195 0.5731 0.4214 0.0460 -0.0018 -0.0143 126 LEU B CG 3536 C CD1 . LEU B 126 ? 0.5921 0.5646 0.4128 0.0523 0.0043 -0.0124 126 LEU B CD1 3537 C CD2 . LEU B 126 ? 0.6421 0.5675 0.4159 0.0550 -0.0017 -0.0148 126 LEU B CD2 3538 N N . ARG B 127 ? 0.6344 0.6583 0.4365 0.0229 -0.0167 -0.0272 127 ARG B N 3539 C CA . ARG B 127 ? 0.6379 0.7002 0.4408 0.0299 -0.0212 -0.0320 127 ARG B CA 3540 C C . ARG B 127 ? 0.6401 0.6889 0.4380 0.0548 -0.0186 -0.0277 127 ARG B C 3541 O O . ARG B 127 ? 0.6342 0.6610 0.4340 0.0661 -0.0130 -0.0219 127 ARG B O 3542 C CB . ARG B 127 ? 0.6600 0.7395 0.4475 0.0075 -0.0253 -0.0406 127 ARG B CB 3543 C CG . ARG B 127 ? 0.6803 0.7796 0.4650 -0.0216 -0.0266 -0.0470 127 ARG B CG 3544 C CD . ARG B 127 ? 0.7427 0.8205 0.4940 -0.0545 -0.0259 -0.0539 127 ARG B CD 3545 N NE . ARG B 127 ? 0.7744 0.9061 0.5207 -0.0683 -0.0302 -0.0649 127 ARG B NE 3546 C CZ . ARG B 127 ? 0.8443 0.9724 0.5575 -0.1069 -0.0292 -0.0746 127 ARG B CZ 3547 N NH1 . ARG B 127 ? 0.8993 0.9591 0.5736 -0.1325 -0.0236 -0.0735 127 ARG B NH1 3548 N NH2 . ARG B 127 ? 0.8531 1.0436 0.5648 -0.1201 -0.0332 -0.0863 127 ARG B NH2 3549 N N . ASP B 128 ? 0.6503 0.7095 0.4366 0.0604 -0.0217 -0.0314 128 ASP B N 3550 C CA . ASP B 128 ? 0.6595 0.6986 0.4327 0.0838 -0.0185 -0.0275 128 ASP B CA 3551 C C . ASP B 128 ? 0.6619 0.6597 0.4274 0.0806 -0.0131 -0.0234 128 ASP B C 3552 O O . ASP B 128 ? 0.6768 0.6571 0.4277 0.0945 -0.0100 -0.0214 128 ASP B O 3553 C CB . ASP B 128 ? 0.6766 0.7531 0.4386 0.0998 -0.0249 -0.0337 128 ASP B CB 3554 C CG . ASP B 128 ? 0.6939 0.7980 0.4551 0.0794 -0.0306 -0.0419 128 ASP B CG 3555 O OD1 . ASP B 128 ? 0.7073 0.7958 0.4701 0.0517 -0.0295 -0.0429 128 ASP B OD1 3556 O OD2 . ASP B 128 ? 0.7132 0.8520 0.4651 0.0914 -0.0357 -0.0479 128 ASP B OD2 3557 N N . ASN B 129 ? 0.6475 0.6294 0.4179 0.0653 -0.0115 -0.0225 129 ASN B N 3558 C CA . ASN B 129 ? 0.6489 0.6004 0.4120 0.0679 -0.0061 -0.0191 129 ASN B CA 3559 C C . ASN B 129 ? 0.6365 0.5799 0.4067 0.0740 0.0022 -0.0146 129 ASN B C 3560 O O . ASN B 129 ? 0.6408 0.5728 0.4066 0.0768 0.0080 -0.0132 129 ASN B O 3561 C CB . ASN B 129 ? 0.6600 0.5936 0.4133 0.0570 -0.0074 -0.0203 129 ASN B CB 3562 C CG . ASN B 129 ? 0.6915 0.6162 0.4215 0.0452 -0.0123 -0.0254 129 ASN B CG 3563 O OD1 . ASN B 129 ? 0.6760 0.6222 0.4055 0.0445 -0.0159 -0.0291 129 ASN B OD1 3564 N ND2 . ASN B 129 ? 0.7249 0.6151 0.4283 0.0364 -0.0119 -0.0263 129 ASN B ND2 3565 N N . VAL B 130 ? 0.6247 0.5772 0.4025 0.0743 0.0033 -0.0136 130 VAL B N 3566 C CA . VAL B 130 ? 0.6194 0.5621 0.3969 0.0729 0.0122 -0.0108 130 VAL B CA 3567 C C . VAL B 130 ? 0.6420 0.5721 0.4010 0.0819 0.0147 -0.0095 130 VAL B C 3568 O O . VAL B 130 ? 0.6435 0.5863 0.3985 0.0935 0.0078 -0.0110 130 VAL B O 3569 C CB . VAL B 130 ? 0.5991 0.5547 0.3956 0.0632 0.0130 -0.0107 130 VAL B CB 3570 C CG1 . VAL B 130 ? 0.5796 0.5384 0.3804 0.0626 0.0111 -0.0119 130 VAL B CG1 3571 C CG2 . VAL B 130 ? 0.5757 0.5447 0.3820 0.0613 0.0070 -0.0112 130 VAL B CG2 3572 N N . LYS B 131 ? 0.6694 0.5745 0.4103 0.0767 0.0255 -0.0078 131 LYS B N 3573 C CA . LYS B 131 ? 0.7138 0.5885 0.4224 0.0835 0.0308 -0.0060 131 LYS B CA 3574 C C . LYS B 131 ? 0.6958 0.5803 0.4194 0.0719 0.0323 -0.0058 131 LYS B C 3575 O O . LYS B 131 ? 0.6814 0.5800 0.4235 0.0536 0.0370 -0.0070 131 LYS B O 3576 C CB . LYS B 131 ? 0.7552 0.5855 0.4233 0.0742 0.0448 -0.0053 131 LYS B CB 3577 C CG . LYS B 131 ? 0.8251 0.6095 0.4416 0.0941 0.0475 -0.0037 131 LYS B CG 3578 C CD . LYS B 131 ? 0.8689 0.6032 0.4392 0.0752 0.0642 -0.0039 131 LYS B CD 3579 C CE . LYS B 131 ? 0.8893 0.6444 0.4781 0.0652 0.0659 -0.0058 131 LYS B CE 3580 N NZ . LYS B 131 ? 0.9447 0.6586 0.4900 0.0816 0.0683 -0.0044 131 LYS B NZ 3581 N N . GLU B 132 ? 0.7030 0.5849 0.4171 0.0853 0.0282 -0.0049 132 GLU B N 3582 C CA . GLU B 132 ? 0.7036 0.5843 0.4215 0.0768 0.0309 -0.0043 132 GLU B CA 3583 C C . GLU B 132 ? 0.7537 0.5760 0.4179 0.0716 0.0443 -0.0028 132 GLU B C 3584 O O . GLU B 132 ? 0.8044 0.5864 0.4206 0.0937 0.0457 -0.0010 132 GLU B O 3585 C CB . GLU B 132 ? 0.6962 0.6005 0.4215 0.0956 0.0210 -0.0047 132 GLU B CB 3586 C CG . GLU B 132 ? 0.6669 0.6173 0.4378 0.0843 0.0132 -0.0065 132 GLU B CG 3587 C CD . GLU B 132 ? 0.6906 0.6617 0.4616 0.0982 0.0073 -0.0075 132 GLU B CD 3588 O OE1 . GLU B 132 ? 0.6798 0.6491 0.4582 0.0902 0.0095 -0.0063 132 GLU B OE1 3589 O OE2 . GLU B 132 ? 0.7169 0.7120 0.4797 0.1186 0.0004 -0.0103 132 GLU B OE2 3590 N N . LEU B 133 ? 0.7537 0.5707 0.4184 0.0428 0.0548 -0.0044 133 LEU B N 3591 C CA . LEU B 133 ? 0.8145 0.5706 0.4184 0.0263 0.0705 -0.0049 133 LEU B CA 3592 C C . LEU B 133 ? 0.8481 0.5677 0.4183 0.0295 0.0737 -0.0032 133 LEU B C 3593 O O . LEU B 133 ? 0.9239 0.5703 0.4214 0.0242 0.0863 -0.0027 133 LEU B O 3594 C CB . LEU B 133 ? 0.8078 0.5827 0.4205 -0.0113 0.0820 -0.0100 133 LEU B CB 3595 C CG . LEU B 133 ? 0.7872 0.5902 0.4199 -0.0134 0.0817 -0.0121 133 LEU B CG 3596 C CD1 . LEU B 133 ? 0.7731 0.6081 0.4118 -0.0492 0.0937 -0.0193 133 LEU B CD1 3597 C CD2 . LEU B 133 ? 0.8454 0.5931 0.4279 0.0013 0.0852 -0.0094 133 LEU B CD2 3598 N N . GLY B 134 ? 0.8016 0.5647 0.4163 0.0379 0.0631 -0.0026 134 GLY B N 3599 C CA . GLY B 134 ? 0.8263 0.5619 0.4142 0.0460 0.0641 -0.0009 134 GLY B CA 3600 C C . GLY B 134 ? 0.8195 0.5619 0.4177 0.0134 0.0715 -0.0035 134 GLY B C 3601 O O . GLY B 134 ? 0.8460 0.5658 0.4234 0.0175 0.0725 -0.0022 134 GLY B O 3602 N N . ASN B 135 ? 0.7901 0.5694 0.4193 -0.0166 0.0762 -0.0079 135 ASN B N 3603 C CA . ASN B 135 ? 0.7782 0.5797 0.4190 -0.0500 0.0838 -0.0129 135 ASN B CA 3604 C C . ASN B 135 ? 0.6950 0.5768 0.4097 -0.0489 0.0730 -0.0148 135 ASN B C 3605 O O . ASN B 135 ? 0.6793 0.5991 0.4118 -0.0727 0.0778 -0.0205 135 ASN B O 3606 C CB . ASN B 135 ? 0.8189 0.6058 0.4245 -0.0873 0.1005 -0.0193 135 ASN B CB 3607 C CG . ASN B 135 ? 0.8001 0.6310 0.4378 -0.0856 0.0979 -0.0215 135 ASN B CG 3608 O OD1 . ASN B 135 ? 0.7642 0.6115 0.4323 -0.0551 0.0852 -0.0170 135 ASN B OD1 3609 N ND2 . ASN B 135 ? 0.8326 0.6854 0.4603 -0.1203 0.1106 -0.0296 135 ASN B ND2 3610 N N . GLY B 136 ? 0.6516 0.5580 0.4020 -0.0218 0.0591 -0.0111 136 GLY B N 3611 C CA . GLY B 136 ? 0.5913 0.5547 0.3944 -0.0180 0.0498 -0.0124 136 GLY B CA 3612 C C . GLY B 136 ? 0.5795 0.5681 0.3978 -0.0152 0.0485 -0.0145 136 GLY B C 3613 O O . GLY B 136 ? 0.5432 0.5666 0.3916 -0.0069 0.0412 -0.0154 136 GLY B O 3614 N N . CYS B 137 ? 0.6064 0.5707 0.3965 -0.0203 0.0559 -0.0152 137 CYS B N 3615 C CA . CYS B 137 ? 0.6041 0.5902 0.4044 -0.0166 0.0554 -0.0173 137 CYS B CA 3616 C C . CYS B 137 ? 0.5952 0.5576 0.3883 0.0038 0.0485 -0.0131 137 CYS B C 3617 O O . CYS B 137 ? 0.6126 0.5373 0.3792 0.0127 0.0483 -0.0099 137 CYS B O 3618 C CB . CYS B 137 ? 0.6395 0.6288 0.4162 -0.0420 0.0699 -0.0232 137 CYS B CB 3619 S SG . CYS B 137 ? 0.6967 0.7372 0.4832 -0.0727 0.0793 -0.0323 137 CYS B SG 3620 N N . PHE B 138 ? 0.5760 0.5616 0.3878 0.0134 0.0429 -0.0139 138 PHE B N 3621 C CA . PHE B 138 ? 0.5835 0.5528 0.3882 0.0283 0.0372 -0.0116 138 PHE B CA 3622 C C . PHE B 138 ? 0.5987 0.5724 0.3943 0.0249 0.0437 -0.0141 138 PHE B C 3623 O O . PHE B 138 ? 0.5847 0.5923 0.3941 0.0220 0.0457 -0.0178 138 PHE B O 3624 C CB . PHE B 138 ? 0.5581 0.5417 0.3830 0.0399 0.0255 -0.0109 138 PHE B CB 3625 C CG . PHE B 138 ? 0.5431 0.5316 0.3795 0.0395 0.0196 -0.0098 138 PHE B CG 3626 C CD1 . PHE B 138 ? 0.5379 0.5203 0.3688 0.0459 0.0142 -0.0088 138 PHE B CD1 3627 C CD2 . PHE B 138 ? 0.5249 0.5307 0.3767 0.0347 0.0194 -0.0107 138 PHE B CD2 3628 C CE1 . PHE B 138 ? 0.5122 0.5069 0.3539 0.0447 0.0094 -0.0088 138 PHE B CE1 3629 C CE2 . PHE B 138 ? 0.5018 0.5110 0.3628 0.0331 0.0146 -0.0097 138 PHE B CE2 3630 C CZ . PHE B 138 ? 0.4997 0.5040 0.3565 0.0367 0.0099 -0.0089 138 PHE B CZ 3631 N N . GLU B 139 ? 0.6329 0.5757 0.4027 0.0285 0.0466 -0.0126 139 GLU B N 3632 C CA . GLU B 139 ? 0.6530 0.5982 0.4124 0.0250 0.0529 -0.0148 139 GLU B CA 3633 C C . GLU B 139 ? 0.6481 0.5909 0.4136 0.0441 0.0430 -0.0130 139 GLU B C 3634 O O . GLU B 139 ? 0.6592 0.5804 0.4143 0.0552 0.0372 -0.0104 139 GLU B O 3635 C CB . GLU B 139 ? 0.6968 0.6001 0.4123 0.0120 0.0655 -0.0150 139 GLU B CB 3636 C CG . GLU B 139 ? 0.7330 0.6395 0.4340 0.0030 0.0743 -0.0183 139 GLU B CG 3637 C CD . GLU B 139 ? 0.7967 0.6435 0.4407 -0.0081 0.0867 -0.0177 139 GLU B CD 3638 O OE1 . GLU B 139 ? 0.8598 0.6719 0.4690 -0.0256 0.0964 -0.0183 139 GLU B OE1 3639 O OE2 . GLU B 139 ? 0.8849 0.7122 0.5114 0.0009 0.0875 -0.0166 139 GLU B OE2 3640 N N . PHE B 140 ? 0.6426 0.6101 0.4207 0.0493 0.0413 -0.0151 140 PHE B N 3641 C CA . PHE B 140 ? 0.6483 0.6071 0.4248 0.0644 0.0329 -0.0140 140 PHE B CA 3642 C C . PHE B 140 ? 0.6765 0.6132 0.4324 0.0675 0.0359 -0.0133 140 PHE B C 3643 O O . PHE B 140 ? 0.6908 0.6259 0.4334 0.0587 0.0463 -0.0148 140 PHE B O 3644 C CB . PHE B 140 ? 0.6415 0.6229 0.4243 0.0745 0.0311 -0.0164 140 PHE B CB 3645 C CG . PHE B 140 ? 0.6314 0.6212 0.4242 0.0788 0.0253 -0.0164 140 PHE B CG 3646 C CD1 . PHE B 140 ? 0.6371 0.6016 0.4192 0.0857 0.0165 -0.0150 140 PHE B CD1 3647 C CD2 . PHE B 140 ? 0.6354 0.6552 0.4426 0.0725 0.0295 -0.0186 140 PHE B CD2 3648 C CE1 . PHE B 140 ? 0.6377 0.5998 0.4195 0.0879 0.0124 -0.0150 140 PHE B CE1 3649 C CE2 . PHE B 140 ? 0.6243 0.6483 0.4374 0.0786 0.0240 -0.0184 140 PHE B CE2 3650 C CZ . PHE B 140 ? 0.6216 0.6130 0.4200 0.0871 0.0157 -0.0162 140 PHE B CZ 3651 N N . TYR B 141 ? 0.6892 0.6108 0.4395 0.0775 0.0273 -0.0119 141 TYR B N 3652 C CA . TYR B 141 ? 0.7206 0.6237 0.4516 0.0846 0.0279 -0.0116 141 TYR B CA 3653 C C . TYR B 141 ? 0.7310 0.6378 0.4611 0.0910 0.0258 -0.0129 141 TYR B C 3654 O O . TYR B 141 ? 0.7478 0.6408 0.4636 0.0973 0.0251 -0.0129 141 TYR B O 3655 C CB . TYR B 141 ? 0.7207 0.6171 0.4451 0.0931 0.0192 -0.0114 141 TYR B CB 3656 C CG . TYR B 141 ? 0.7402 0.6239 0.4490 0.0985 0.0217 -0.0100 141 TYR B CG 3657 C CD1 . TYR B 141 ? 0.7745 0.6245 0.4498 0.1020 0.0313 -0.0084 141 TYR B CD1 3658 C CD2 . TYR B 141 ? 0.7088 0.6085 0.4271 0.1017 0.0151 -0.0107 141 TYR B CD2 3659 C CE1 . TYR B 141 ? 0.8215 0.6436 0.4652 0.1122 0.0343 -0.0069 141 TYR B CE1 3660 C CE2 . TYR B 141 ? 0.7457 0.6301 0.4408 0.1141 0.0170 -0.0095 141 TYR B CE2 3661 C CZ . TYR B 141 ? 0.7947 0.6351 0.4486 0.1212 0.0267 -0.0072 141 TYR B CZ 3662 O OH . TYR B 141 ? 0.8421 0.6513 0.4563 0.1382 0.0296 -0.0057 141 TYR B OH 3663 N N . HIS B 142 ? 0.7377 0.6598 0.4775 0.0930 0.0247 -0.0141 142 HIS B N 3664 C CA . HIS B 142 ? 0.7597 0.6800 0.4882 0.1056 0.0234 -0.0154 142 HIS B CA 3665 C C . HIS B 142 ? 0.7627 0.7158 0.4997 0.1114 0.0283 -0.0179 142 HIS B C 3666 O O . HIS B 142 ? 0.7492 0.7208 0.5016 0.1037 0.0297 -0.0184 142 HIS B O 3667 C CB . HIS B 142 ? 0.7734 0.6674 0.4867 0.1091 0.0139 -0.0153 142 HIS B CB 3668 C CG . HIS B 142 ? 0.7738 0.6681 0.4909 0.1061 0.0105 -0.0154 142 HIS B CG 3669 N ND1 . HIS B 142 ? 0.7746 0.6699 0.4810 0.1203 0.0112 -0.0161 142 HIS B ND1 3670 C CD2 . HIS B 142 ? 0.7519 0.6466 0.4787 0.0928 0.0064 -0.0153 142 HIS B CD2 3671 C CE1 . HIS B 142 ? 0.7511 0.6401 0.4584 0.1146 0.0080 -0.0158 142 HIS B CE1 3672 N NE2 . HIS B 142 ? 0.7458 0.6360 0.4675 0.0957 0.0053 -0.0154 142 HIS B NE2 3673 N N . LYS B 143 ? 0.7833 0.7493 0.5089 0.1272 0.0307 -0.0202 143 LYS B N 3674 C CA . LYS B 143 ? 0.7861 0.7982 0.5175 0.1393 0.0344 -0.0246 143 LYS B CA 3675 C C . LYS B 143 ? 0.7945 0.7941 0.5160 0.1557 0.0271 -0.0238 143 LYS B C 3676 O O . LYS B 143 ? 0.8207 0.7735 0.5116 0.1697 0.0206 -0.0216 143 LYS B O 3677 C CB . LYS B 143 ? 0.8064 0.8444 0.5252 0.1575 0.0386 -0.0284 143 LYS B CB 3678 C CG . LYS B 143 ? 0.8069 0.8692 0.5346 0.1361 0.0494 -0.0312 143 LYS B CG 3679 C CD . LYS B 143 ? 0.8236 0.9617 0.5595 0.1382 0.0584 -0.0398 143 LYS B CD 3680 C CE . LYS B 143 ? 0.8469 0.9994 0.5791 0.1137 0.0706 -0.0433 143 LYS B CE 3681 N NZ . LYS B 143 ? 0.8414 0.9690 0.5740 0.0763 0.0784 -0.0419 143 LYS B NZ 3682 N N . CYS B 144 ? 0.7786 0.8152 0.5193 0.1516 0.0291 -0.0262 144 CYS B N 3683 C CA . CYS B 144 ? 0.7869 0.8098 0.5166 0.1658 0.0229 -0.0254 144 CYS B CA 3684 C C . CYS B 144 ? 0.7918 0.8722 0.5209 0.1913 0.0251 -0.0314 144 CYS B C 3685 O O . CYS B 144 ? 0.7643 0.9025 0.5218 0.1790 0.0300 -0.0359 144 CYS B O 3686 C CB . CYS B 144 ? 0.7619 0.7750 0.5131 0.1409 0.0214 -0.0226 144 CYS B CB 3687 S SG . CYS B 144 ? 0.7834 0.7666 0.5169 0.1512 0.0142 -0.0209 144 CYS B SG 3688 N N . ASP B 145 ? 0.8349 0.8998 0.5256 0.2283 0.0217 -0.0323 145 ASP B N 3689 C CA . ASP B 145 ? 0.8501 0.9759 0.5315 0.2645 0.0227 -0.0392 145 ASP B CA 3690 C C . ASP B 145 ? 0.8549 0.9827 0.5297 0.2782 0.0186 -0.0397 145 ASP B C 3691 O O . ASP B 145 ? 0.8441 0.9295 0.5270 0.2538 0.0161 -0.0346 145 ASP B O 3692 C CB . ASP B 145 ? 0.9021 1.0016 0.5330 0.3074 0.0201 -0.0397 145 ASP B CB 3693 C CG . ASP B 145 ? 0.9640 0.9560 0.5324 0.3252 0.0132 -0.0331 145 ASP B CG 3694 O OD1 . ASP B 145 ? 0.9774 0.9315 0.5370 0.3165 0.0100 -0.0301 145 ASP B OD1 3695 O OD2 . ASP B 145 ? 1.0195 0.9609 0.5413 0.3458 0.0119 -0.0315 145 ASP B OD2 3696 N N . ASP B 146 ? 0.8723 1.0531 0.5306 0.3195 0.0177 -0.0462 146 ASP B N 3697 C CA . ASP B 146 ? 0.8832 1.0720 0.5323 0.3377 0.0138 -0.0475 146 ASP B CA 3698 C C . ASP B 146 ? 0.9342 1.0108 0.5284 0.3491 0.0076 -0.0393 146 ASP B C 3699 O O . ASP B 146 ? 0.9271 0.9862 0.5287 0.3349 0.0057 -0.0370 146 ASP B O 3700 C CB . ASP B 146 ? 0.9009 1.1786 0.5386 0.3867 0.0135 -0.0578 146 ASP B CB 3701 C CG . ASP B 146 ? 0.8438 1.2490 0.5432 0.3595 0.0209 -0.0688 146 ASP B CG 3702 O OD1 . ASP B 146 ? 0.7874 1.1959 0.5302 0.3039 0.0265 -0.0671 146 ASP B OD1 3703 O OD2 . ASP B 146 ? 0.8708 1.3736 0.5687 0.3940 0.0215 -0.0801 146 ASP B OD2 3704 N N . GLU B 147 ? 0.9937 0.9917 0.5285 0.3703 0.0055 -0.0355 147 GLU B N 3705 C CA . GLU B 147 ? 1.0632 0.9444 0.5310 0.3737 0.0019 -0.0292 147 GLU B CA 3706 C C . GLU B 147 ? 1.0294 0.8669 0.5248 0.3157 0.0022 -0.0240 147 GLU B C 3707 O O . GLU B 147 ? 1.0597 0.8292 0.5215 0.3026 0.0005 -0.0208 147 GLU B O 3708 C CB . GLU B 147 ? 1.1536 0.9547 0.5363 0.4111 0.0009 -0.0277 147 GLU B CB 3709 C CG . GLU B 147 ? 1.2252 1.0536 0.5572 0.4828 -0.0006 -0.0328 147 GLU B CG 3710 C CD . GLU B 147 ? 1.2766 1.1149 0.5838 0.5164 -0.0034 -0.0350 147 GLU B CD 3711 O OE1 . GLU B 147 ? 1.2996 1.0709 0.5883 0.4931 -0.0041 -0.0304 147 GLU B OE1 3712 O OE2 . GLU B 147 ? 1.2964 1.2162 0.6010 0.5680 -0.0048 -0.0423 147 GLU B OE2 3713 N N . CYS B 148 ? 0.9734 0.8520 0.5245 0.2830 0.0047 -0.0240 148 CYS B N 3714 C CA . CYS B 148 ? 0.9339 0.7932 0.5176 0.2345 0.0046 -0.0206 148 CYS B CA 3715 C C . CYS B 148 ? 0.8835 0.7832 0.5126 0.2144 0.0048 -0.0208 148 CYS B C 3716 O O . CYS B 148 ? 0.8843 0.7476 0.5118 0.1896 0.0028 -0.0181 148 CYS B O 3717 C CB . CYS B 148 ? 0.8956 0.7853 0.5160 0.2148 0.0075 -0.0208 148 CYS B CB 3718 S SG . CYS B 148 ? 0.8659 0.7581 0.5325 0.1660 0.0074 -0.0182 148 CYS B SG 3719 N N . MET B 149 ? 0.8395 0.8175 0.5061 0.2233 0.0078 -0.0250 149 MET B N 3720 C CA . MET B 149 ? 0.7963 0.8140 0.5009 0.2064 0.0087 -0.0260 149 MET B CA 3721 C C . MET B 149 ? 0.8229 0.7980 0.4934 0.2208 0.0043 -0.0241 149 MET B C 3722 O O . MET B 149 ? 0.8052 0.7685 0.4934 0.1959 0.0033 -0.0217 149 MET B O 3723 C CB . MET B 149 ? 0.7628 0.8747 0.5026 0.2120 0.0138 -0.0332 149 MET B CB 3724 C CG . MET B 149 ? 0.7369 0.8892 0.5100 0.1848 0.0210 -0.0357 149 MET B CG 3725 S SD . MET B 149 ? 0.7205 0.8450 0.5235 0.1371 0.0239 -0.0306 149 MET B SD 3726 C CE . MET B 149 ? 0.6825 0.8482 0.5008 0.1155 0.0347 -0.0352 149 MET B CE 3727 N N . ASN B 150 ? 0.8718 0.8190 0.4865 0.2630 0.0020 -0.0254 150 ASN B N 3728 C CA . ASN B 150 ? 0.9148 0.8071 0.4803 0.2809 -0.0011 -0.0236 150 ASN B CA 3729 C C . ASN B 150 ? 0.9464 0.7428 0.4733 0.2515 -0.0019 -0.0186 150 ASN B C 3730 O O . ASN B 150 ? 0.9621 0.7230 0.4687 0.2444 -0.0028 -0.0171 150 ASN B O 3731 C CB . ASN B 150 ? 0.9847 0.8629 0.4849 0.3412 -0.0028 -0.0265 150 ASN B CB 3732 C CG . ASN B 150 ? 0.9442 0.9383 0.4833 0.3706 -0.0021 -0.0345 150 ASN B CG 3733 O OD1 . ASN B 150 ? 0.8699 0.9455 0.4762 0.3442 0.0001 -0.0381 150 ASN B OD1 3734 N ND2 . ASN B 150 ? 0.9894 0.9923 0.4805 0.4249 -0.0034 -0.0384 150 ASN B ND2 3735 N N . SER B 151 ? 0.9571 0.7165 0.4720 0.2323 -0.0012 -0.0171 151 SER B N 3736 C CA . SER B 151 ? 0.9808 0.6717 0.4690 0.1938 -0.0012 -0.0151 151 SER B CA 3737 C C . SER B 151 ? 0.9123 0.6494 0.4670 0.1532 -0.0017 -0.0147 151 SER B C 3738 O O . SER B 151 ? 0.9275 0.6290 0.4651 0.1268 -0.0018 -0.0146 151 SER B O 3739 C CB . SER B 151 ? 1.0105 0.6595 0.4692 0.1829 -0.0005 -0.0152 151 SER B CB 3740 O OG . SER B 151 ? 0.9383 0.6505 0.4635 0.1649 -0.0006 -0.0155 151 SER B OG 3741 N N . VAL B 152 ? 0.8468 0.6599 0.4695 0.1483 -0.0010 -0.0151 152 VAL B N 3742 C CA . VAL B 152 ? 0.7953 0.6492 0.4729 0.1188 -0.0011 -0.0146 152 VAL B CA 3743 C C . VAL B 152 ? 0.8013 0.6617 0.4816 0.1230 -0.0017 -0.0144 152 VAL B C 3744 O O . VAL B 152 ? 0.8004 0.6440 0.4818 0.0998 -0.0028 -0.0137 152 VAL B O 3745 C CB . VAL B 152 ? 0.7410 0.6585 0.4731 0.1139 0.0018 -0.0152 152 VAL B CB 3746 C CG1 . VAL B 152 ? 0.6885 0.6334 0.4617 0.0889 0.0022 -0.0142 152 VAL B CG1 3747 C CG2 . VAL B 152 ? 0.7372 0.6452 0.4636 0.1116 0.0025 -0.0152 152 VAL B CG2 3748 N N . LYS B 153 ? 0.8121 0.7021 0.4915 0.1534 -0.0010 -0.0161 153 LYS B N 3749 C CA . LYS B 153 ? 0.8201 0.7253 0.5025 0.1633 -0.0018 -0.0168 153 LYS B CA 3750 C C . LYS B 153 ? 0.8867 0.7173 0.5101 0.1670 -0.0035 -0.0149 153 LYS B C 3751 O O . LYS B 153 ? 0.8729 0.7069 0.5070 0.1568 -0.0041 -0.0143 153 LYS B O 3752 C CB . LYS B 153 ? 0.8176 0.7790 0.5040 0.1996 -0.0012 -0.0212 153 LYS B CB 3753 C CG . LYS B 153 ? 0.7614 0.8040 0.5035 0.1880 0.0029 -0.0251 153 LYS B CG 3754 C CD . LYS B 153 ? 0.7815 0.8774 0.5128 0.2253 0.0038 -0.0315 153 LYS B CD 3755 C CE . LYS B 153 ? 0.7420 0.9349 0.5240 0.2112 0.0090 -0.0388 153 LYS B CE 3756 N NZ . LYS B 153 ? 0.7273 0.9926 0.4990 0.2502 0.0093 -0.0479 153 LYS B NZ 3757 N N . ASN B 154 ? 0.9720 0.7293 0.5259 0.1804 -0.0034 -0.0143 154 ASN B N 3758 C CA . ASN B 154 ? 1.0660 0.7338 0.5448 0.1786 -0.0026 -0.0131 154 ASN B CA 3759 C C . ASN B 154 ? 1.0816 0.6986 0.5408 0.1300 -0.0006 -0.0133 154 ASN B C 3760 O O . ASN B 154 ? 1.1589 0.6910 0.5428 0.1185 0.0023 -0.0137 154 ASN B O 3761 C CB . ASN B 154 ? 1.1653 0.7687 0.5554 0.2292 -0.0023 -0.0133 154 ASN B CB 3762 C CG . ASN B 154 ? 1.2794 0.8146 0.6088 0.2315 -0.0004 -0.0131 154 ASN B CG 3763 O OD1 . ASN B 154 ? 1.2639 0.8134 0.6263 0.1971 0.0001 -0.0134 154 ASN B OD1 3764 N ND2 . ASN B 154 ? 1.4663 0.9219 0.6980 0.2756 0.0006 -0.0128 154 ASN B ND2 3765 N N . GLY B 155 ? 1.0127 0.6833 0.5337 0.1016 -0.0015 -0.0140 155 GLY B N 3766 C CA . GLY B 155 ? 1.0042 0.6639 0.5274 0.0548 -0.0008 -0.0164 155 GLY B CA 3767 C C . GLY B 155 ? 1.0600 0.6600 0.5252 0.0373 0.0013 -0.0192 155 GLY B C 3768 O O . GLY B 155 ? 1.0789 0.6600 0.5241 -0.0043 0.0032 -0.0235 155 GLY B O 3769 N N . THR B 156 ? 1.0846 0.6601 0.5214 0.0670 0.0014 -0.0178 156 THR B N 3770 C CA . THR B 156 ? 1.1454 0.6585 0.5214 0.0529 0.0037 -0.0204 156 THR B CA 3771 C C . THR B 156 ? 1.0960 0.6575 0.5166 0.0624 0.0013 -0.0200 156 THR B C 3772 O O . THR B 156 ? 1.1477 0.6634 0.5199 0.0800 0.0024 -0.0199 156 THR B O 3773 C CB . THR B 156 ? 1.2551 0.6623 0.5238 0.0827 0.0072 -0.0192 156 THR B CB 3774 O OG1 . THR B 156 ? 1.2442 0.6766 0.5232 0.1377 0.0048 -0.0161 156 THR B OG1 3775 C CG2 . THR B 156 ? 1.3087 0.6598 0.5244 0.0818 0.0102 -0.0188 156 THR B CG2 3776 N N . TYR B 157 ? 1.0031 0.6500 0.5079 0.0528 -0.0014 -0.0198 157 TYR B N 3777 C CA . TYR B 157 ? 0.9586 0.6454 0.5001 0.0570 -0.0028 -0.0197 157 TYR B CA 3778 C C . TYR B 157 ? 0.9951 0.6541 0.5063 0.0252 -0.0029 -0.0243 157 TYR B C 3779 O O . TYR B 157 ? 1.0028 0.6630 0.5080 -0.0112 -0.0029 -0.0290 157 TYR B O 3780 C CB . TYR B 157 ? 0.8636 0.6321 0.4854 0.0548 -0.0043 -0.0184 157 TYR B CB 3781 C CG . TYR B 157 ? 0.8172 0.6190 0.4692 0.0556 -0.0047 -0.0185 157 TYR B CG 3782 C CD1 . TYR B 157 ? 0.7858 0.5995 0.4446 0.0813 -0.0026 -0.0167 157 TYR B CD1 3783 C CD2 . TYR B 157 ? 0.7959 0.6218 0.4668 0.0320 -0.0071 -0.0214 157 TYR B CD2 3784 C CE1 . TYR B 157 ? 0.7715 0.6090 0.4521 0.0807 -0.0020 -0.0167 157 TYR B CE1 3785 C CE2 . TYR B 157 ? 0.7707 0.6214 0.4620 0.0369 -0.0076 -0.0214 157 TYR B CE2 3786 C CZ . TYR B 157 ? 0.7606 0.6111 0.4550 0.0599 -0.0046 -0.0185 157 TYR B CZ 3787 O OH . TYR B 157 ? 0.7369 0.6050 0.4456 0.0634 -0.0041 -0.0184 157 TYR B OH 3788 N N . ASP B 158 ? 1.0178 0.6587 0.5097 0.0380 -0.0026 -0.0241 158 ASP B N 3789 C CA . ASP B 158 ? 1.0638 0.6736 0.5182 0.0104 -0.0024 -0.0292 158 ASP B CA 3790 C C . ASP B 158 ? 1.0002 0.6811 0.5162 0.0029 -0.0058 -0.0307 158 ASP B C 3791 O O . ASP B 158 ? 0.9856 0.6768 0.5147 0.0250 -0.0061 -0.0281 158 ASP B O 3792 C CB . ASP B 158 ? 1.1359 0.6710 0.5200 0.0337 0.0002 -0.0278 158 ASP B CB 3793 C CG . ASP B 158 ? 1.2243 0.6895 0.5329 -0.0014 0.0030 -0.0339 158 ASP B CG 3794 O OD1 . ASP B 158 ? 1.2148 0.7176 0.5454 -0.0412 0.0016 -0.0404 158 ASP B OD1 3795 O OD2 . ASP B 158 ? 1.3278 0.6998 0.5487 0.0121 0.0070 -0.0331 158 ASP B OD2 3796 N N . TYR B 159 ? 0.9696 0.7006 0.5193 -0.0251 -0.0082 -0.0352 159 TYR B N 3797 C CA . TYR B 159 ? 0.9190 0.7169 0.5191 -0.0260 -0.0119 -0.0372 159 TYR B CA 3798 C C . TYR B 159 ? 0.9494 0.7362 0.5238 -0.0359 -0.0130 -0.0418 159 TYR B C 3799 O O . TYR B 159 ? 0.9189 0.7282 0.5181 -0.0156 -0.0143 -0.0392 159 TYR B O 3800 C CB . TYR B 159 ? 0.8846 0.7427 0.5183 -0.0472 -0.0148 -0.0422 159 TYR B CB 3801 C CG . TYR B 159 ? 0.8473 0.7692 0.5146 -0.0452 -0.0192 -0.0462 159 TYR B CG 3802 C CD1 . TYR B 159 ? 0.8109 0.7662 0.5196 -0.0161 -0.0202 -0.0406 159 TYR B CD1 3803 C CD2 . TYR B 159 ? 0.8713 0.8181 0.5207 -0.0722 -0.0218 -0.0565 159 TYR B CD2 3804 C CE1 . TYR B 159 ? 0.7940 0.7972 0.5208 -0.0069 -0.0241 -0.0439 159 TYR B CE1 3805 C CE2 . TYR B 159 ? 0.8467 0.8580 0.5235 -0.0631 -0.0268 -0.0609 159 TYR B CE2 3806 C CZ . TYR B 159 ? 0.8179 0.8528 0.5309 -0.0267 -0.0281 -0.0539 159 TYR B CZ 3807 O OH . TYR B 159 ? 0.7955 0.8833 0.5235 -0.0103 -0.0328 -0.0577 159 TYR B OH 3808 N N . PRO B 160 ? 1.0114 0.7615 0.5313 -0.0706 -0.0115 -0.0496 160 PRO B N 3809 C CA . PRO B 160 ? 1.0453 0.7825 0.5356 -0.0833 -0.0122 -0.0550 160 PRO B CA 3810 C C . PRO B 160 ? 1.0669 0.7547 0.5368 -0.0497 -0.0105 -0.0479 160 PRO B C 3811 O O . PRO B 160 ? 1.0635 0.7642 0.5373 -0.0461 -0.0124 -0.0496 160 PRO B O 3812 C CB . PRO B 160 ? 1.1215 0.8057 0.5394 -0.1298 -0.0078 -0.0641 160 PRO B CB 3813 C CG . PRO B 160 ? 1.1073 0.8203 0.5419 -0.1492 -0.0071 -0.0666 160 PRO B CG 3814 C CD . PRO B 160 ? 1.0610 0.7786 0.5385 -0.1049 -0.0082 -0.0548 160 PRO B CD 3815 N N . LYS B 161 ? 1.0930 0.7321 0.5418 -0.0229 -0.0073 -0.0408 161 LYS B N 3816 C CA . LYS B 161 ? 1.1166 0.7189 0.5452 0.0146 -0.0056 -0.0350 161 LYS B CA 3817 C C . LYS B 161 ? 1.0508 0.7163 0.5443 0.0400 -0.0073 -0.0308 161 LYS B C 3818 O O . LYS B 161 ? 1.0641 0.7165 0.5465 0.0594 -0.0063 -0.0290 161 LYS B O 3819 C CB . LYS B 161 ? 1.1489 0.7057 0.5450 0.0423 -0.0025 -0.0300 161 LYS B CB 3820 C CG . LYS B 161 ? 1.1720 0.7053 0.5467 0.0878 -0.0009 -0.0254 161 LYS B CG 3821 C CD . LYS B 161 ? 1.2078 0.7105 0.5504 0.1202 0.0010 -0.0221 161 LYS B CD 3822 C CE . LYS B 161 ? 1.2620 0.7407 0.5669 0.1694 0.0024 -0.0197 161 LYS B CE 3823 N NZ . LYS B 161 ? 1.2073 0.7573 0.5729 0.1834 0.0020 -0.0189 161 LYS B NZ 3824 N N . TYR B 162 ? 0.9895 0.7174 0.5431 0.0387 -0.0088 -0.0296 162 TYR B N 3825 C CA . TYR B 162 ? 0.9380 0.7125 0.5403 0.0591 -0.0080 -0.0257 162 TYR B CA 3826 C C . TYR B 162 ? 0.9026 0.7222 0.5352 0.0478 -0.0114 -0.0287 162 TYR B C 3827 O O . TYR B 162 ? 0.8755 0.7195 0.5340 0.0630 -0.0098 -0.0258 162 TYR B O 3828 C CB . TYR B 162 ? 0.9090 0.7090 0.5437 0.0730 -0.0053 -0.0216 162 TYR B CB 3829 C CG . TYR B 162 ? 0.9407 0.7129 0.5492 0.0960 -0.0023 -0.0193 162 TYR B CG 3830 C CD1 . TYR B 162 ? 0.9418 0.7231 0.5507 0.1213 0.0011 -0.0178 162 TYR B CD1 3831 C CD2 . TYR B 162 ? 0.9758 0.7156 0.5546 0.0949 -0.0027 -0.0196 162 TYR B CD2 3832 C CE1 . TYR B 162 ? 0.9690 0.7383 0.5523 0.1493 0.0031 -0.0173 162 TYR B CE1 3833 C CE2 . TYR B 162 ? 1.0167 0.7324 0.5641 0.1246 -0.0007 -0.0180 162 TYR B CE2 3834 C CZ . TYR B 162 ? 1.0052 0.7408 0.5563 0.1539 0.0018 -0.0173 162 TYR B CZ 3835 O OH . TYR B 162 ? 1.0471 0.7719 0.5658 0.1898 0.0030 -0.0172 162 TYR B OH 3836 N N . GLU B 163 ? 0.9129 0.7434 0.5353 0.0216 -0.0154 -0.0354 163 GLU B N 3837 C CA . GLU B 163 ? 0.8920 0.7774 0.5390 0.0150 -0.0199 -0.0403 163 GLU B CA 3838 C C . GLU B 163 ? 0.8863 0.7798 0.5380 0.0333 -0.0205 -0.0391 163 GLU B C 3839 O O . GLU B 163 ? 0.8519 0.7748 0.5286 0.0513 -0.0206 -0.0366 163 GLU B O 3840 C CB . GLU B 163 ? 0.9180 0.8173 0.5418 -0.0204 -0.0234 -0.0509 163 GLU B CB 3841 C CG . GLU B 163 ? 0.9059 0.8805 0.5543 -0.0246 -0.0292 -0.0587 163 GLU B CG 3842 C CD . GLU B 163 ? 0.9416 0.9505 0.5740 -0.0653 -0.0314 -0.0713 163 GLU B CD 3843 O OE1 . GLU B 163 ? 0.9765 0.9351 0.5692 -0.0951 -0.0273 -0.0736 163 GLU B OE1 3844 O OE2 . GLU B 163 ? 0.9341 1.0211 0.5879 -0.0672 -0.0368 -0.0797 163 GLU B OE2 3845 N N . GLU B 164 ? 0.9284 0.7868 0.5477 0.0295 -0.0200 -0.0407 164 GLU B N 3846 C CA . GLU B 164 ? 0.9399 0.8032 0.5576 0.0433 -0.0209 -0.0407 164 GLU B CA 3847 C C . GLU B 164 ? 0.9178 0.7720 0.5521 0.0717 -0.0154 -0.0323 164 GLU B C 3848 O O . GLU B 164 ? 0.9012 0.7748 0.5473 0.0854 -0.0153 -0.0313 164 GLU B O 3849 C CB . GLU B 164 ? 0.9895 0.8130 0.5627 0.0288 -0.0214 -0.0451 164 GLU B CB 3850 C CG . GLU B 164 ? 1.0294 0.8673 0.5791 -0.0095 -0.0252 -0.0563 164 GLU B CG 3851 C CD . GLU B 164 ? 1.0963 0.8692 0.5832 -0.0315 -0.0228 -0.0604 164 GLU B CD 3852 O OE1 . GLU B 164 ? 1.1354 0.9024 0.6045 -0.0322 -0.0242 -0.0637 164 GLU B OE1 3853 O OE2 . GLU B 164 ? 1.1438 0.8653 0.5921 -0.0476 -0.0190 -0.0606 164 GLU B OE2 3854 N N . GLU B 165 ? 0.9241 0.7509 0.5541 0.0800 -0.0103 -0.0275 165 GLU B N 3855 C CA . GLU B 165 ? 0.9124 0.7437 0.5587 0.0992 -0.0035 -0.0220 165 GLU B CA 3856 C C . GLU B 165 ? 0.8855 0.7457 0.5600 0.1005 -0.0012 -0.0201 165 GLU B C 3857 O O . GLU B 165 ? 0.8863 0.7484 0.5628 0.1097 0.0036 -0.0180 165 GLU B O 3858 C CB . GLU B 165 ? 0.9210 0.7356 0.5586 0.1089 0.0006 -0.0197 165 GLU B CB 3859 C CG . GLU B 165 ? 0.9032 0.7404 0.5603 0.1217 0.0086 -0.0169 165 GLU B CG 3860 C CD . GLU B 165 ? 0.9309 0.7704 0.5808 0.1361 0.0118 -0.0168 165 GLU B CD 3861 O OE1 . GLU B 165 ? 0.9539 0.7647 0.5774 0.1406 0.0078 -0.0174 165 GLU B OE1 3862 O OE2 . GLU B 165 ? 0.9510 0.8221 0.6163 0.1430 0.0189 -0.0170 165 GLU B OE2 3863 N N . SER B 166 ? 0.8671 0.7424 0.5552 0.0911 -0.0039 -0.0209 166 SER B N 3864 C CA . SER B 166 ? 0.8522 0.7476 0.5593 0.0938 -0.0016 -0.0191 166 SER B CA 3865 C C . SER B 166 ? 0.8603 0.7679 0.5612 0.1030 -0.0046 -0.0207 166 SER B C 3866 O O . SER B 166 ? 0.8568 0.7547 0.5509 0.1144 0.0011 -0.0177 166 SER B O 3867 C CB . SER B 166 ? 0.8363 0.7469 0.5572 0.0827 -0.0049 -0.0202 166 SER B CB 3868 O OG . SER B 166 ? 0.8265 0.7254 0.5498 0.0805 -0.0016 -0.0182 166 SER B OG 3869 N N . LYS B 167 ? 0.8776 0.8054 0.5738 0.0973 -0.0128 -0.0266 167 LYS B N 3870 C CA . LYS B 167 ? 0.8994 0.8527 0.5874 0.1099 -0.0180 -0.0307 167 LYS B CA 3871 C C . LYS B 167 ? 0.9221 0.8492 0.5915 0.1290 -0.0134 -0.0272 167 LYS B C 3872 O O . LYS B 167 ? 0.9352 0.8625 0.5906 0.1497 -0.0126 -0.0263 167 LYS B O 3873 C CB . LYS B 167 ? 0.9116 0.8927 0.5938 0.0928 -0.0260 -0.0396 167 LYS B CB 3874 C CG . LYS B 167 ? 0.9279 0.9653 0.6086 0.1027 -0.0339 -0.0478 167 LYS B CG 3875 C CD . LYS B 167 ? 0.9322 1.0231 0.6264 0.0837 -0.0392 -0.0559 167 LYS B CD 3876 C CE . LYS B 167 ? 0.9459 1.0333 0.6301 0.0429 -0.0402 -0.0627 167 LYS B CE 3877 N NZ . LYS B 167 ? 0.9708 1.0533 0.6326 0.0332 -0.0423 -0.0683 167 LYS B NZ 3878 N N . LEU B 168 ? 0.9389 0.8392 0.6011 0.1241 -0.0099 -0.0254 168 LEU B N 3879 C CA . LEU B 168 ? 0.9642 0.8387 0.6078 0.1383 -0.0043 -0.0224 168 LEU B CA 3880 C C . LEU B 168 ? 0.9746 0.8244 0.6111 0.1440 0.0068 -0.0168 168 LEU B C 3881 O O . LEU B 168 ? 1.0021 0.8328 0.6126 0.1591 0.0104 -0.0154 168 LEU B O 3882 C CB . LEU B 168 ? 0.9756 0.8309 0.6125 0.1322 -0.0029 -0.0223 168 LEU B CB 3883 C CG . LEU B 168 ? 0.9940 0.8564 0.6203 0.1238 -0.0114 -0.0282 168 LEU B CG 3884 C CD1 . LEU B 168 ? 1.0087 0.8394 0.6209 0.1182 -0.0088 -0.0272 168 LEU B CD1 3885 C CD2 . LEU B 168 ? 1.0089 0.8819 0.6208 0.1370 -0.0152 -0.0313 168 LEU B CD2 3886 N N . ASN B 169 ? 0.9614 0.8097 0.6135 0.1313 0.0127 -0.0146 169 ASN B N 3887 C CA . ASN B 169 ? 0.9733 0.8042 0.6171 0.1269 0.0246 -0.0115 169 ASN B CA 3888 C C . ASN B 169 ? 0.9894 0.8070 0.6154 0.1347 0.0261 -0.0102 169 ASN B C 3889 O O . ASN B 169 ? 1.0197 0.8017 0.6136 0.1344 0.0370 -0.0081 169 ASN B O 3890 C CB . ASN B 169 ? 0.9498 0.7980 0.6176 0.1125 0.0283 -0.0115 169 ASN B CB 3891 C CG . ASN B 169 ? 0.9564 0.8120 0.6285 0.1118 0.0307 -0.0126 169 ASN B CG 3892 O OD1 . ASN B 169 ? 0.9920 0.8399 0.6500 0.1113 0.0391 -0.0127 169 ASN B OD1 3893 N ND2 . ASN B 169 ? 0.9244 0.7916 0.6090 0.1130 0.0241 -0.0137 169 ASN B ND2 3894 N N . ARG B 170 ? 0.9766 0.8205 0.6168 0.1408 0.0159 -0.0122 170 ARG B N 3895 C CA . ARG B 170 ? 0.9956 0.8334 0.6190 0.1537 0.0157 -0.0115 170 ARG B CA 3896 C C . ARG B 170 ? 1.0480 0.8666 0.6302 0.1819 0.0142 -0.0119 170 ARG B C 3897 O O . ARG B 170 ? 1.0865 0.8717 0.6293 0.1991 0.0189 -0.0098 170 ARG B O 3898 C CB . ARG B 170 ? 0.9640 0.8478 0.6179 0.1510 0.0052 -0.0149 170 ARG B CB 3899 C CG . ARG B 170 ? 0.9652 0.8499 0.6053 0.1660 0.0046 -0.0144 170 ARG B CG 3900 C CD . ARG B 170 ? 0.9276 0.8652 0.6002 0.1595 -0.0051 -0.0188 170 ARG B CD 3901 N NE . ARG B 170 ? 0.8954 0.8812 0.5785 0.1610 -0.0159 -0.0260 170 ARG B NE 3902 C CZ . ARG B 170 ? 0.8667 0.8754 0.5732 0.1356 -0.0202 -0.0299 170 ARG B CZ 3903 N NH1 . ARG B 170 ? 0.8511 0.8383 0.5726 0.1145 -0.0157 -0.0265 170 ARG B NH1 3904 N NH2 . ARG B 170 ? 0.8573 0.9087 0.5649 0.1315 -0.0284 -0.0381 170 ARG B NH2 3905 N N . ASN B 171 ? 1.0617 0.8967 0.6460 0.1886 0.0078 -0.0149 171 ASN B N 3906 C CA . ASN B 171 ? 1.1151 0.9423 0.6618 0.2195 0.0042 -0.0166 171 ASN B CA 3907 C C . ASN B 171 ? 1.1762 0.9371 0.6737 0.2277 0.0162 -0.0121 171 ASN B C 3908 O O . ASN B 171 ? 1.2343 0.9575 0.6782 0.2564 0.0189 -0.0108 171 ASN B O 3909 C CB . ASN B 171 ? 1.0945 0.9731 0.6628 0.2200 -0.0079 -0.0233 171 ASN B CB 3910 C CG . ASN B 171 ? 1.0671 1.0132 0.6668 0.2136 -0.0193 -0.0305 171 ASN B CG 3911 O OD1 . ASN B 171 ? 1.0689 1.0294 0.6702 0.2217 -0.0204 -0.0306 171 ASN B OD1 3912 N ND2 . ASN B 171 ? 1.0543 1.0402 0.6742 0.1960 -0.0270 -0.0372 171 ASN B ND2 3913 N N . GLU B 172 ? 1.1793 0.9246 0.6882 0.2042 0.0238 -0.0102 172 GLU B N 3914 C CA . GLU B 172 ? 1.2377 0.9282 0.7021 0.2059 0.0356 -0.0075 172 GLU B CA 3915 C C . GLU B 172 ? 1.2866 0.9148 0.7030 0.1962 0.0521 -0.0040 172 GLU B C 3916 O O . GLU B 172 ? 1.2959 0.9181 0.7073 0.1953 0.0534 -0.0031 172 GLU B O 3917 C CB . GLU B 172 ? 1.2096 0.9140 0.7020 0.1848 0.0383 -0.0080 172 GLU B CB 3918 C CG . GLU B 172 ? 1.1789 0.9134 0.7153 0.1582 0.0406 -0.0084 172 GLU B CG 3919 C CD . GLU B 172 ? 1.1746 0.9173 0.7242 0.1440 0.0463 -0.0090 172 GLU B CD 3920 O OE1 . GLU B 172 ? 1.1811 0.9325 0.7362 0.1523 0.0396 -0.0102 172 GLU B OE1 3921 O OE2 . GLU B 172 ? 1.1985 0.9437 0.7514 0.1246 0.0575 -0.0094 172 GLU B OE2 3964 C C1 . EDO F . ? 0.5186 0.4576 0.5797 -0.0222 -0.0513 0.0326 1 EDO A C1 3965 O O1 . EDO F . ? 0.5409 0.4666 0.5935 -0.0249 -0.0541 0.0367 1 EDO A O1 3966 C C2 . EDO F . ? 0.5080 0.4498 0.5701 -0.0140 -0.0526 0.0318 1 EDO A C2 3967 O O2 . EDO F . ? 0.4984 0.4305 0.5584 -0.0089 -0.0543 0.0300 1 EDO A O2 3968 C C1 . NAG G . ? 1.2504 1.5130 0.9348 -0.0585 -0.0456 -0.2140 175 NAG B C1 3969 C C2 . NAG G . ? 1.3321 1.5570 0.9923 -0.0579 -0.0453 -0.2280 175 NAG B C2 3970 C C3 . NAG G . ? 1.3733 1.5874 1.0078 -0.0526 -0.0417 -0.2408 175 NAG B C3 3971 C C4 . NAG G . ? 1.3606 1.5990 1.0034 -0.0399 -0.0358 -0.2384 175 NAG B C4 3972 C C5 . NAG G . ? 1.3286 1.6031 0.9921 -0.0467 -0.0381 -0.2247 175 NAG B C5 3973 C C6 . NAG G . ? 1.3298 1.6302 0.9996 -0.0375 -0.0329 -0.2216 175 NAG B C6 3974 C C7 . NAG G . ? 1.3487 1.5521 1.0108 -0.0788 -0.0550 -0.2243 175 NAG B C7 3975 C C8 . NAG G . ? 1.3626 1.5628 1.0166 -0.0976 -0.0622 -0.2240 175 NAG B C8 3976 N N2 . NAG G . ? 1.3489 1.5613 1.0000 -0.0742 -0.0519 -0.2292 175 NAG B N2 3977 O O3 . NAG G . ? 1.4064 1.5838 1.0219 -0.0459 -0.0396 -0.2523 175 NAG B O3 3978 O O4 . NAG G . ? 1.3910 1.6225 1.0093 -0.0368 -0.0331 -0.2499 175 NAG B O4 3979 O O5 . NAG G . ? 1.2760 1.5551 0.9627 -0.0476 -0.0400 -0.2139 175 NAG B O5 3980 O O6 . NAG G . ? 1.3422 1.6376 1.0178 -0.0221 -0.0268 -0.2236 175 NAG B O6 3981 O O7 . NAG G . ? 1.3291 1.5284 1.0069 -0.0689 -0.0523 -0.2201 175 NAG B O7 3982 C C1 . PEG H . ? 0.9218 1.3602 0.7499 -0.0417 -0.0243 0.0200 176 PEG B C1 3983 O O1 . PEG H . ? 0.9412 1.3831 0.7559 -0.0462 -0.0230 0.0291 176 PEG B O1 3984 C C2 . PEG H . ? 0.9052 1.3608 0.7359 -0.0415 -0.0261 0.0091 176 PEG B C2 3985 O O2 . PEG H . ? 0.8832 1.3355 0.7247 -0.0395 -0.0254 -0.0024 176 PEG B O2 3986 C C3 . PEG H . ? 0.8615 1.3198 0.7036 -0.0421 -0.0209 -0.0096 176 PEG B C3 3987 C C4 . PEG H . ? 0.8479 1.3138 0.6935 -0.0402 -0.0212 -0.0237 176 PEG B C4 3988 O O4 . PEG H . ? 0.8390 1.3113 0.6854 -0.0407 -0.0165 -0.0308 176 PEG B O4 3989 O O . HOH I . ? 0.2742 0.3034 0.3402 -0.0296 -0.0166 -0.0169 2 HOH A O 3990 O O . HOH I . ? 0.1782 0.2681 0.2850 0.0365 -0.0146 0.0096 3 HOH A O 3991 O O . HOH I . ? 0.3484 0.3201 0.4299 -0.0088 -0.0451 0.0182 4 HOH A O 3992 O O . HOH I . ? 0.2091 0.2677 0.3160 0.0526 -0.0336 -0.0334 5 HOH A O 3993 O O . HOH I . ? 0.1973 0.2112 0.2834 0.0304 -0.0093 0.0012 6 HOH A O 3994 O O . HOH I . ? 0.1959 0.2031 0.2857 0.0224 -0.0162 -0.0082 7 HOH A O 3995 O O . HOH I . ? 0.3476 0.3331 0.4020 -0.0335 -0.0210 0.0124 8 HOH A O 3996 O O . HOH I . ? 0.6519 0.6904 0.7565 -0.0037 -0.0178 0.0098 124 HOH A O 3997 O O . HOH I . ? 0.5565 0.5485 0.6183 0.1084 -0.0393 -0.0481 333 HOH A O 3998 O O . HOH I . ? 0.7348 0.8663 0.8446 0.0928 -0.0353 -0.0284 334 HOH A O 3999 O O . HOH I . ? 0.8972 1.0223 0.7446 0.0837 -0.0234 0.0967 335 HOH A O 4000 O O . HOH I . ? 0.2880 0.3679 0.3907 -0.0057 -0.0348 -0.0066 336 HOH A O 4001 O O . HOH I . ? 0.6219 0.6280 0.6093 -0.0983 -0.0091 -0.0102 337 HOH A O 4002 O O . HOH I . ? 0.6878 0.6264 0.7391 -0.0344 -0.0522 0.0424 338 HOH A O 4003 O O . HOH I . ? 0.2792 0.3012 0.3856 0.0317 -0.0387 -0.0163 339 HOH A O 4004 O O . HOH I . ? 0.6899 0.7293 0.7364 0.0335 0.0156 0.0147 340 HOH A O 4005 O O . HOH I . ? 0.6379 0.5214 0.6779 -0.0199 -0.0586 0.0283 341 HOH A O 4006 O O . HOH I . ? 0.7004 0.8950 0.7718 0.0113 -0.0093 -0.0460 342 HOH A O 4007 O O . HOH I . ? 0.7147 0.7747 0.7857 0.1194 -0.0309 -0.0589 343 HOH A O 4008 O O . HOH I . ? 0.6848 0.7663 0.7658 0.0204 -0.0285 -0.0253 344 HOH A O 4009 O O . HOH I . ? 0.3993 0.4087 0.4143 -0.0752 -0.0120 -0.0125 345 HOH A O 4010 O O . HOH I . ? 0.6819 0.8335 0.7848 -0.0153 -0.0246 -0.0184 346 HOH A O 4011 O O . HOH I . ? 0.7176 0.6375 0.6776 -0.0866 -0.0059 -0.0133 347 HOH A O 4012 O O . HOH I . ? 0.2408 0.2308 0.3149 0.0007 -0.0089 0.0045 348 HOH A O 4013 O O . HOH I . ? 0.6860 0.4785 0.6778 0.0319 -0.0627 -0.0147 349 HOH A O 4014 O O . HOH I . ? 0.5697 0.6466 0.6179 -0.0318 0.0028 0.0347 350 HOH A O 4015 O O . HOH I . ? 0.7038 0.7804 0.7471 -0.0668 -0.0416 0.0173 351 HOH A O 4016 O O . HOH I . ? 0.6586 0.8501 0.7769 0.0194 -0.0260 -0.0237 352 HOH A O 4017 O O . HOH I . ? 0.6533 0.4502 0.6398 -0.0499 -0.0675 -0.0043 353 HOH A O 4018 O O . HOH I . ? 0.6945 0.8599 0.6538 -0.0212 -0.0083 0.0037 354 HOH A O 4019 O O . HOH I . ? 0.3164 0.3981 0.4017 -0.0201 -0.0191 -0.0212 355 HOH A O 4020 O O . HOH I . ? 0.6588 0.8760 0.7330 0.0335 -0.0087 -0.0587 356 HOH A O 4021 O O . HOH I . ? 0.8019 0.7357 0.8304 -0.1215 -0.0610 0.0305 357 HOH A O 4022 O O . HOH I . ? 0.3069 0.2744 0.3650 -0.0067 -0.0117 -0.0129 358 HOH A O 4023 O O . HOH I . ? 0.3822 0.3704 0.4760 0.0475 -0.0415 -0.0256 359 HOH A O 4024 O O . HOH I . ? 0.2539 0.2833 0.3276 -0.0301 -0.0374 0.0111 360 HOH A O 4025 O O . HOH I . ? 0.6724 0.5784 0.6925 -0.1066 -0.0660 0.0008 361 HOH A O 4026 O O . HOH I . ? 0.4757 0.3558 0.4483 -0.0289 0.0026 -0.0124 362 HOH A O 4027 O O . HOH I . ? 0.3760 0.4063 0.4829 0.0191 -0.0377 -0.0106 363 HOH A O 4028 O O . HOH I . ? 0.2925 0.3076 0.3906 0.0055 -0.0157 0.0035 364 HOH A O 4029 O O . HOH I . ? 0.3723 0.5523 0.4589 -0.0191 -0.0132 -0.0276 365 HOH A O 4030 O O . HOH I . ? 0.3291 0.3946 0.4323 0.0624 -0.0323 -0.0398 366 HOH A O 4031 O O . HOH I . ? 0.6595 0.7533 0.7033 0.0248 -0.0324 -0.0761 367 HOH A O 4032 O O . HOH I . ? 0.7784 0.7872 0.7683 -0.0535 -0.0024 0.0228 368 HOH A O 4033 O O . HOH I . ? 0.9210 0.5338 0.6247 -0.0536 0.0386 -0.0357 369 HOH A O 4034 O O . HOH I . ? 0.5994 0.6355 0.6393 -0.0310 -0.0095 -0.0157 370 HOH A O 4035 O O . HOH I . ? 0.6962 0.9437 0.8161 0.0536 -0.0198 -0.0370 371 HOH A O 4036 O O . HOH I . ? 0.7334 0.7915 0.7587 -0.0680 -0.0438 0.0333 372 HOH A O 4037 O O . HOH I . ? 0.2906 0.4079 0.4057 0.0348 -0.0288 -0.0286 373 HOH A O 4038 O O . HOH I . ? 0.6933 0.7772 0.6721 0.0381 -0.0165 0.0225 374 HOH A O 4039 O O . HOH I . ? 0.6880 0.7050 0.7855 -0.0493 -0.0439 0.0034 375 HOH A O 4040 O O . HOH I . ? 0.3996 0.4059 0.4240 -0.0726 -0.0177 -0.0112 376 HOH A O 4041 O O . HOH I . ? 0.7263 0.6965 0.7743 -0.1107 -0.0607 0.0101 377 HOH A O 4042 O O . HOH I . ? 0.8607 0.9917 0.7108 -0.0104 -0.0117 0.0619 378 HOH A O 4043 O O . HOH I . ? 1.0539 0.7519 0.9152 -0.1971 -0.0893 0.0380 379 HOH A O 4044 O O . HOH I . ? 0.7671 1.0739 0.7167 0.0073 -0.0162 -0.0849 380 HOH A O 4045 O O . HOH I . ? 0.7506 0.9305 0.8732 0.0626 -0.0368 -0.0151 381 HOH A O 4046 O O . HOH I . ? 0.4221 0.3267 0.4172 0.0096 0.0091 -0.0065 382 HOH A O 4047 O O . HOH I . ? 0.4556 0.2729 0.3694 0.0116 0.0222 -0.0124 383 HOH A O 4048 O O . HOH I . ? 0.4680 0.2736 0.4643 -0.0308 -0.0666 0.0198 384 HOH A O 4049 O O . HOH I . ? 0.5880 0.4394 0.5383 -0.0038 0.0123 -0.0113 385 HOH A O 4050 O O . HOH I . ? 0.3232 0.3766 0.4303 0.0089 -0.0347 -0.0109 386 HOH A O 4051 O O . HOH I . ? 0.4396 0.5995 0.5549 -0.0632 -0.0262 0.0371 387 HOH A O 4052 O O . HOH I . ? 0.7394 0.9689 0.8481 0.1088 -0.0201 -0.0498 388 HOH A O 4053 O O . HOH I . ? 0.6350 0.7613 0.6602 -0.1194 -0.0284 -0.0041 389 HOH A O 4054 O O . HOH I . ? 0.5336 0.8501 0.4548 -0.0161 -0.0215 -0.0083 390 HOH A O 4055 O O . HOH I . ? 0.7691 1.0138 0.8494 -0.0524 -0.0124 -0.0191 391 HOH A O 4056 O O . HOH I . ? 0.4399 0.4723 0.5219 0.0922 -0.0356 -0.0472 392 HOH A O 4057 O O . HOH I . ? 0.3574 0.4336 0.4270 -0.0339 -0.0158 -0.0192 393 HOH A O 4058 O O . HOH I . ? 0.5945 0.7225 0.6558 -0.0404 -0.0110 -0.0208 394 HOH A O 4059 O O . HOH I . ? 0.5394 0.5235 0.5404 0.0490 0.0265 0.0064 395 HOH A O 4060 O O . HOH I . ? 0.3292 0.3176 0.4099 -0.0676 -0.0484 0.0116 396 HOH A O 4061 O O . HOH I . ? 0.7429 0.6856 0.7933 -0.0668 -0.0492 0.0429 397 HOH A O 4062 O O . HOH I . ? 0.9021 1.1787 0.9187 -0.1698 -0.0488 0.0140 398 HOH A O 4063 O O . HOH I . ? 0.5815 1.0246 0.4407 -0.0315 -0.0352 -0.0124 399 HOH A O 4064 O O . HOH I . ? 0.5360 0.7211 0.6569 0.0382 -0.0428 -0.0006 400 HOH A O 4065 O O . HOH I . ? 0.6476 0.6222 0.6985 0.0176 -0.0090 -0.0083 401 HOH A O 4066 O O . HOH I . ? 0.6858 0.7801 0.7485 0.0213 -0.0307 -0.0602 402 HOH A O 4067 O O . HOH I . ? 0.6666 0.6883 0.7668 -0.0431 -0.0438 -0.0015 403 HOH A O 4068 O O . HOH I . ? 0.7499 0.7420 0.7542 0.0037 -0.0065 -0.0004 404 HOH A O 4069 O O . HOH I . ? 0.4683 0.6388 0.5827 0.0199 -0.0237 -0.0284 405 HOH A O 4070 O O . HOH I . ? 0.4773 0.5189 0.5194 -0.0702 -0.0238 -0.0079 406 HOH A O 4071 O O . HOH I . ? 0.4422 0.3374 0.4161 -0.0488 -0.0020 -0.0134 407 HOH A O 4072 O O . HOH I . ? 0.5294 0.4105 0.5394 -0.1101 -0.0647 0.0278 408 HOH A O 4073 O O . HOH I . ? 0.3518 0.3711 0.4592 -0.0008 -0.0356 -0.0196 409 HOH A O 4074 O O . HOH I . ? 0.7132 0.5972 0.7399 -0.0232 -0.0620 0.0452 410 HOH A O 4075 O O . HOH I . ? 0.5875 0.8332 0.6780 0.0292 -0.0083 -0.0501 411 HOH A O 4076 O O . HOH I . ? 0.4212 0.3910 0.4826 0.0962 -0.0423 -0.0427 412 HOH A O 4077 O O . HOH I . ? 0.8136 0.9485 0.7908 -0.1654 -0.0392 0.0033 413 HOH A O 4078 O O . HOH I . ? 0.7706 0.7462 0.7540 -0.0213 -0.0031 0.0001 414 HOH A O 4079 O O . HOH I . ? 0.7489 0.7446 0.7895 -0.0072 -0.0095 -0.0128 415 HOH A O 4080 O O . HOH I . ? 0.6511 0.6491 0.7181 0.0134 -0.0136 -0.0136 416 HOH A O 4081 O O . HOH I . ? 0.5973 0.5842 0.6341 0.0287 0.0111 0.0062 417 HOH A O 4082 O O . HOH I . ? 0.3331 0.3398 0.3980 0.0051 -0.0137 -0.0166 418 HOH A O 4083 O O . HOH I . ? 0.5827 0.5887 0.6465 0.0426 0.0031 0.0067 419 HOH A O 4084 O O . HOH I . ? 0.8226 0.9277 0.7584 0.0083 -0.0129 0.0284 420 HOH A O 4085 O O . HOH I . ? 0.5483 0.5283 0.6181 0.0264 -0.0409 -0.0565 421 HOH A O 4086 O O . HOH I . ? 0.4352 0.5362 0.5070 -0.0536 -0.0239 -0.0116 422 HOH A O 4087 O O . HOH I . ? 0.3379 0.2931 0.3832 -0.0179 -0.0106 -0.0119 423 HOH A O 4088 O O . HOH I . ? 0.4123 0.4274 0.5094 -0.0505 -0.0403 0.0127 424 HOH A O 4089 O O . HOH I . ? 0.8955 0.6757 0.7556 -0.0790 0.0106 -0.0170 425 HOH A O 4090 O O . HOH I . ? 0.6745 0.6437 0.7502 0.0628 -0.0526 -0.0006 426 HOH A O 4091 O O . HOH I . ? 0.5244 0.4814 0.5115 -0.0667 -0.0055 -0.0104 427 HOH A O 4092 O O . HOH I . ? 0.4378 0.4225 0.5124 0.0887 -0.0448 -0.0281 428 HOH A O 4093 O O . HOH I . ? 0.3955 0.4276 0.5064 -0.0217 -0.0329 0.0030 429 HOH A O 4094 O O . HOH I . ? 0.9324 0.6420 0.7193 -0.0577 0.0274 -0.0298 430 HOH A O 4095 O O . HOH I . ? 0.5217 0.3549 0.5311 -0.0401 -0.0644 0.0275 431 HOH A O 4096 O O . HOH I . ? 0.7546 0.9132 0.7894 0.0015 -0.0127 -0.0328 432 HOH A O 4097 O O . HOH I . ? 0.3115 0.3492 0.4018 0.0355 -0.0074 0.0064 433 HOH A O 4098 O O . HOH I . ? 0.5771 0.4951 0.6190 -0.0758 -0.0604 -0.0058 434 HOH A O 4099 O O . HOH I . ? 0.4702 0.7017 0.4773 0.0102 -0.0385 -0.0212 435 HOH A O 4100 O O . HOH I . ? 0.6624 0.5271 0.6703 -0.0926 -0.0637 0.0364 436 HOH A O 4101 O O . HOH I . ? 0.5171 0.4653 0.5454 0.0318 0.0081 0.0000 437 HOH A O 4102 O O . HOH I . ? 0.5197 0.4462 0.5455 0.0144 0.0015 -0.0057 438 HOH A O 4103 O O . HOH I . ? 0.5195 0.5221 0.5974 0.0398 -0.0570 0.0228 439 HOH A O 4104 O O . HOH I . ? 0.4104 0.3863 0.4673 -0.0335 -0.0473 0.0413 440 HOH A O 4105 O O . HOH I . ? 0.5734 0.5532 0.6473 0.0536 -0.0386 -0.0528 441 HOH A O 4106 O O . HOH I . ? 0.4449 0.5024 0.5449 0.0159 -0.0462 0.0081 442 HOH A O 4107 O O . HOH I . ? 0.4759 0.7304 0.5635 -0.0703 -0.0414 0.0073 443 HOH A O 4108 O O . HOH I . ? 0.4048 0.4063 0.5029 0.0460 -0.0420 -0.0191 444 HOH A O 4109 O O . HOH I . ? 0.4193 0.4886 0.4982 0.0190 -0.0245 -0.0287 445 HOH A O 4110 O O . HOH I . ? 0.5215 0.3999 0.5012 0.0084 0.0089 -0.0081 446 HOH A O 4111 O O . HOH I . ? 0.3855 0.3630 0.4705 0.0591 -0.0463 -0.0171 447 HOH A O 4112 O O . HOH I . ? 0.4258 0.4570 0.5126 -0.0528 -0.0284 0.0321 448 HOH A O 4113 O O . HOH I . ? 0.3939 0.4038 0.4820 0.0321 -0.0350 -0.0496 449 HOH A O 4114 O O . HOH I . ? 0.6123 0.7370 0.6185 0.0030 -0.0143 -0.0088 450 HOH A O 4115 O O . HOH I . ? 0.4346 0.4176 0.5030 -0.0635 -0.0402 0.0383 451 HOH A O 4116 O O . HOH I . ? 0.4090 0.4457 0.4930 -0.0191 -0.0399 0.0101 452 HOH A O 4117 O O . HOH I . ? 0.5677 0.6425 0.6375 -0.0445 -0.0392 0.0092 453 HOH A O 4118 O O . HOH I . ? 0.4181 0.4405 0.5113 0.0039 -0.0446 0.0102 454 HOH A O 4119 O O . HOH I . ? 0.6092 0.4753 0.5298 -0.0692 0.0032 -0.0171 455 HOH A O 4120 O O . HOH I . ? 0.5354 0.4564 0.5331 0.0290 0.0148 -0.0026 456 HOH A O 4121 O O . HOH I . ? 0.5161 0.5402 0.5701 -0.0458 -0.0353 0.0153 457 HOH A O 4122 O O . HOH I . ? 0.5177 0.4837 0.4722 -0.1142 -0.0174 -0.0102 458 HOH A O 4123 O O . HOH I . ? 0.5453 0.7176 0.6112 -0.0546 -0.0121 -0.0185 459 HOH A O 4124 O O . HOH I . ? 0.7150 0.5190 0.5767 -0.1050 0.0058 -0.0185 460 HOH A O 4125 O O . HOH I . ? 0.8006 0.5762 0.6212 -0.1271 0.0074 -0.0234 461 HOH A O 4126 O O . HOH I . ? 0.5118 0.5220 0.5831 0.0596 -0.0341 -0.0628 462 HOH A O 4127 O O . HOH I . ? 0.4204 0.5732 0.4890 0.0132 -0.0132 -0.0450 463 HOH A O 4128 O O . HOH I . ? 0.4541 0.4259 0.5117 0.0315 -0.0017 -0.0006 464 HOH A O 4129 O O . HOH I . ? 0.4262 0.5721 0.5448 -0.0344 -0.0204 0.0302 465 HOH A O 4130 O O . HOH I . ? 0.4965 0.5749 0.5936 -0.0485 -0.0217 0.0331 466 HOH A O 4131 O O . HOH I . ? 0.5520 0.5256 0.5399 -0.0811 -0.0076 -0.0111 467 HOH A O 4132 O O . HOH I . ? 0.4695 0.6731 0.5210 -0.1108 -0.0365 0.0028 468 HOH A O 4133 O O . HOH I . ? 0.4944 0.6708 0.5755 0.0231 -0.0124 -0.0499 469 HOH A O 4134 O O . HOH I . ? 0.4077 0.5250 0.4854 0.0458 -0.0206 -0.0643 470 HOH A O 4135 O O . HOH I . ? 0.5213 0.5278 0.6132 0.0621 -0.0465 -0.0115 471 HOH A O 4136 O O . HOH I . ? 0.4388 0.4309 0.5009 0.0397 0.0009 0.0038 472 HOH A O 4137 O O . HOH I . ? 0.6842 0.9851 0.6200 0.0144 -0.0390 0.0212 473 HOH A O 4138 O O . HOH I . ? 0.3207 0.4182 0.4339 0.0507 -0.0321 -0.0297 474 HOH A O 4139 O O . HOH I . ? 0.3745 0.4821 0.4825 0.0732 -0.0311 -0.0378 475 HOH A O 4140 O O . HOH I . ? 0.6374 0.4516 0.6441 0.0088 -0.0641 0.0078 476 HOH A O 4141 O O . HOH I . ? 0.4324 0.5160 0.5259 0.0996 -0.0329 -0.0438 477 HOH A O 4142 O O . HOH I . ? 0.4580 0.4537 0.5233 0.0436 -0.0021 0.0032 478 HOH A O 4143 O O . HOH I . ? 0.5279 0.5614 0.6219 0.0276 -0.0502 0.0124 479 HOH A O 4144 O O . HOH I . ? 0.5995 0.5450 0.5658 -0.0893 -0.0131 -0.0101 480 HOH A O 4145 O O . HOH I . ? 0.5328 0.6533 0.6131 -0.0364 -0.0182 -0.0190 481 HOH A O 4146 O O . HOH I . ? 0.5363 0.6221 0.5680 -0.0955 -0.0206 -0.0096 482 HOH A O 4147 O O . HOH I . ? 0.4003 0.3594 0.4109 -0.0605 -0.0118 -0.0125 483 HOH A O 4148 O O . HOH I . ? 0.5610 0.8845 0.6753 0.0144 -0.0122 -0.0322 484 HOH A O 4149 O O . HOH I . ? 0.5338 0.4285 0.5750 -0.0101 -0.0594 0.0335 485 HOH A O 4150 O O . HOH I . ? 0.5291 0.4355 0.5737 -0.0352 -0.0557 0.0368 486 HOH A O 4151 O O . HOH I . ? 0.6639 0.4247 0.6255 -0.0517 -0.0723 0.0274 487 HOH A O 4152 O O . HOH I . ? 0.5731 0.7271 0.6081 -0.0059 -0.0100 -0.0289 488 HOH A O 4153 O O . HOH I . ? 0.5759 0.7065 0.6659 -0.1256 -0.0468 0.0385 489 HOH A O 4154 O O . HOH I . ? 0.4652 0.4971 0.5776 0.0005 -0.0291 -0.0069 490 HOH A O 4155 O O . HOH I . ? 0.6596 0.7693 0.7308 0.0380 -0.0224 -0.0645 491 HOH A O 4156 O O . HOH I . ? 0.5766 0.5875 0.6143 -0.0527 -0.0415 0.0456 492 HOH A O 4157 O O . HOH I . ? 0.4126 0.4606 0.5269 -0.0012 -0.0264 0.0002 493 HOH A O 4158 O O . HOH I . ? 0.6757 0.8160 0.7912 0.0191 -0.0284 -0.0226 494 HOH A O 4159 O O . HOH I . ? 0.5314 0.6834 0.5125 0.0211 -0.0218 0.0112 495 HOH A O 4160 O O . HOH I . ? 0.6080 0.9136 0.5053 -0.0392 -0.0084 0.0099 496 HOH A O 4161 O O . HOH I . ? 0.5830 0.7295 0.5972 -0.1375 -0.0335 -0.0002 497 HOH A O 4162 O O . HOH I . ? 0.5636 0.6054 0.6017 -0.0237 0.0036 0.0253 498 HOH A O 4163 O O . HOH I . ? 0.5011 0.7063 0.5216 0.0076 -0.0147 -0.0471 499 HOH A O 4164 O O . HOH I . ? 0.5334 0.5743 0.6343 0.0478 -0.0468 -0.0018 500 HOH A O 4165 O O . HOH I . ? 0.6543 0.5477 0.6969 0.0568 -0.0589 0.0054 501 HOH A O 4166 O O . HOH I . ? 0.6312 0.6686 0.7032 0.0453 -0.0316 -0.0661 502 HOH A O 4167 O O . HOH I . ? 0.6234 0.4235 0.5954 -0.0904 -0.0707 0.0367 503 HOH A O 4168 O O . HOH I . ? 0.6304 0.6447 0.7114 -0.0027 -0.0089 0.0111 504 HOH A O 4169 O O . HOH I . ? 0.4404 0.3692 0.4540 -0.0316 -0.0063 -0.0120 505 HOH A O 4170 O O . HOH I . ? 0.3401 0.3472 0.4442 0.0186 -0.0322 -0.0314 506 HOH A O 4171 O O . HOH I . ? 0.4351 0.4628 0.5163 0.0107 -0.0182 -0.0226 507 HOH A O 4172 O O . HOH I . ? 0.5896 0.5868 0.6043 -0.0707 -0.0236 0.0012 508 HOH A O 4173 O O . HOH I . ? 0.6329 0.6298 0.7092 0.0495 -0.0363 -0.0565 509 HOH A O 4174 O O . HOH I . ? 0.5918 0.7067 0.7068 0.0569 -0.0400 -0.0129 510 HOH A O 4175 O O . HOH I . ? 0.9119 0.5881 0.6710 0.0348 0.0515 -0.0275 511 HOH A O 4176 O O . HOH I . ? 0.6225 0.7494 0.6108 -0.0076 -0.0108 -0.0030 512 HOH A O 4177 O O . HOH I . ? 0.5334 0.6634 0.6478 0.0394 -0.0267 -0.0330 513 HOH A O 4178 O O . HOH I . ? 0.5454 0.5500 0.6364 0.0171 -0.0185 -0.0133 514 HOH A O 4179 O O . HOH I . ? 0.5655 0.4856 0.4875 -0.1254 -0.0103 -0.0157 515 HOH A O 4180 O O . HOH I . ? 0.7309 0.6802 0.7706 -0.1054 -0.0539 0.0437 516 HOH A O 4181 O O . HOH I . ? 0.3928 0.5612 0.4992 -0.0180 -0.0324 -0.0085 517 HOH A O 4182 O O . HOH I . ? 0.6264 0.8579 0.7370 -0.0023 -0.0195 -0.0250 518 HOH A O 4183 O O . HOH I . ? 0.6016 0.8679 0.6037 -0.1905 -0.0439 0.0093 519 HOH A O 4184 O O . HOH I . ? 0.5662 0.5885 0.6533 0.0210 -0.0354 -0.0490 520 HOH A O 4185 O O . HOH I . ? 0.5992 0.4943 0.6259 0.0403 -0.0673 0.0395 521 HOH A O 4186 O O . HOH I . ? 0.4061 0.4969 0.4349 -0.0490 -0.0066 -0.0144 522 HOH A O 4187 O O . HOH I . ? 0.5940 0.5609 0.6514 0.1071 -0.0443 -0.0370 523 HOH A O 4188 O O . HOH I . ? 0.5494 0.5782 0.6261 0.0290 0.0005 0.0099 524 HOH A O 4189 O O . HOH I . ? 0.4845 0.6843 0.5965 0.0650 -0.0202 -0.0453 525 HOH A O 4190 O O . HOH I . ? 0.5637 0.7192 0.6488 0.0404 -0.0159 -0.0574 526 HOH A O 4191 O O . HOH I . ? 0.6598 0.7288 0.7645 0.0326 -0.0464 0.0035 527 HOH A O 4192 O O . HOH I . ? 0.5449 0.6070 0.6294 -0.0129 -0.0470 0.0187 528 HOH A O 4193 O O . HOH I . ? 0.4857 0.5163 0.5956 -0.0077 -0.0361 -0.0137 529 HOH A O 4194 O O . HOH I . ? 0.5650 0.6282 0.6400 0.0275 -0.0226 -0.0138 530 HOH A O 4195 O O . HOH I . ? 0.4469 0.4764 0.4692 -0.0505 -0.0078 -0.0126 531 HOH A O 4196 O O . HOH I . ? 0.5896 0.5549 0.6656 0.0700 -0.0464 -0.0237 532 HOH A O 4197 O O . HOH I . ? 0.4567 0.6177 0.5700 0.0154 -0.0443 0.0043 533 HOH A O 4198 O O . HOH I . ? 0.5763 0.8544 0.5581 -0.0045 -0.0097 -0.0452 534 HOH A O 4199 O O . HOH I . ? 0.5798 0.5381 0.5640 0.0020 0.0179 0.0023 535 HOH A O 4200 O O . HOH I . ? 0.5698 0.4391 0.5935 0.0120 -0.0543 -0.0484 536 HOH A O 4201 O O . HOH I . ? 0.6861 0.7202 0.7700 0.0312 -0.0026 0.0091 537 HOH A O 4202 O O . HOH I . ? 0.5525 0.6450 0.6244 0.0303 -0.0257 -0.0602 538 HOH A O 4203 O O . HOH I . ? 0.7099 0.6162 0.6452 0.0300 0.0327 -0.0064 539 HOH A O 4204 O O . HOH I . ? 0.7427 0.7546 0.8124 0.0164 -0.0002 0.0087 540 HOH A O 4205 O O . HOH I . ? 0.5168 0.5770 0.6288 -0.0054 -0.0360 -0.0122 541 HOH A O 4206 O O . HOH I . ? 0.5093 0.5921 0.5963 0.1202 -0.0352 -0.0405 542 HOH A O 4207 O O . HOH I . ? 0.6254 0.8740 0.6191 -0.0005 -0.0129 -0.0437 543 HOH A O 4208 O O . HOH I . ? 0.5918 0.7718 0.6496 -0.0969 -0.0312 -0.0023 544 HOH A O 4209 O O . HOH I . ? 0.9730 0.6196 0.7036 -0.0928 0.0263 -0.0307 545 HOH A O 4210 O O . HOH I . ? 0.5281 0.6516 0.6376 0.0233 -0.0462 0.0061 546 HOH A O 4211 O O . HOH I . ? 0.6941 0.7390 0.7061 -0.1019 -0.0189 -0.0101 547 HOH A O 4212 O O . HOH I . ? 0.5827 0.5061 0.5455 -0.0735 -0.0075 -0.0107 548 HOH A O 4213 O O . HOH I . ? 0.5048 0.7570 0.5722 -0.0915 -0.0493 0.0168 549 HOH A O 4214 O O . HOH I . ? 0.6507 0.8089 0.6690 -0.0207 -0.0064 -0.0203 550 HOH A O 4215 O O . HOH I . ? 0.3724 0.4221 0.4607 -0.0167 -0.0398 0.0072 551 HOH A O 4216 O O . HOH I . ? 0.5768 0.5526 0.5876 -0.0381 -0.0061 -0.0105 552 HOH A O 4217 O O . HOH I . ? 0.5800 0.5625 0.6687 -0.0297 -0.0473 -0.0174 553 HOH A O 4218 O O . HOH I . ? 0.5375 0.6062 0.5490 -0.0159 -0.0077 -0.0085 554 HOH A O 4219 O O . HOH I . ? 0.5555 0.6992 0.5885 -0.0329 -0.0056 -0.0200 555 HOH A O 4220 O O . HOH I . ? 0.5762 0.5771 0.6233 0.0463 0.0108 0.0081 556 HOH A O 4221 O O . HOH I . ? 0.5576 0.4650 0.5617 -0.0163 -0.0011 -0.0106 557 HOH A O 4222 O O . HOH I . ? 0.5720 0.6861 0.6829 0.0800 -0.0377 -0.0229 558 HOH A O 4223 O O . HOH I . ? 0.5116 0.5222 0.6145 0.0127 -0.0257 -0.0209 559 HOH A O 4224 O O . HOH I . ? 0.4401 0.4936 0.5069 -0.0241 -0.0514 0.0332 560 HOH A O 4225 O O . HOH I . ? 0.7682 0.6936 0.7947 -0.1172 -0.0640 0.0150 561 HOH A O 4226 O O . HOH I . ? 0.6913 0.6310 0.6494 -0.0008 0.0222 -0.0017 562 HOH A O 4227 O O . HOH I . ? 0.5690 0.6180 0.6441 0.0235 0.0037 0.0150 563 HOH A O 4228 O O . HOH I . ? 0.6269 0.8582 0.7225 0.0690 -0.0117 -0.0604 564 HOH A O 4229 O O . HOH I . ? 0.5011 0.6739 0.6013 -0.0310 -0.0344 -0.0043 565 HOH A O 4230 O O . HOH I . ? 0.7682 0.6222 0.7904 0.0663 -0.0576 -0.0143 566 HOH A O 4231 O O . HOH I . ? 0.6679 0.8006 0.7526 -0.0355 -0.0448 0.0122 567 HOH A O 4232 O O . HOH I . ? 0.5790 0.6189 0.6899 -0.0236 -0.0304 0.0080 568 HOH A O 4233 O O . HOH I . ? 0.6570 0.9273 0.6194 -0.0338 -0.0018 -0.0159 569 HOH A O 4234 O O . HOH I . ? 0.6745 0.7493 0.7404 0.0373 -0.0218 -0.0044 570 HOH A O 4235 O O . HOH I . ? 0.5311 0.5691 0.6372 -0.0055 -0.0383 -0.0207 571 HOH A O 4236 O O . HOH I . ? 0.7965 0.7358 0.7783 0.0647 0.0281 0.0026 572 HOH A O 4237 O O . HOH I . ? 0.8091 0.7075 0.8464 0.0865 -0.0509 -0.0301 573 HOH A O 4238 O O . HOH I . ? 0.7920 0.9782 0.6784 -0.0032 -0.0170 0.0454 574 HOH A O 4239 O O . HOH I . ? 0.5437 0.6949 0.6043 -0.0838 -0.0266 -0.0069 575 HOH A O 4240 O O . HOH I . ? 0.6895 0.6747 0.7572 0.0364 -0.0600 0.0304 576 HOH A O 4241 O O . HOH I . ? 0.5353 0.7543 0.6478 -0.0127 -0.0402 0.0019 577 HOH A O 4242 O O . HOH I . ? 0.5866 0.5280 0.6138 0.0357 0.0069 -0.0006 578 HOH A O 4243 O O . HOH I . ? 0.6546 0.7473 0.7117 -0.0312 -0.0109 -0.0208 579 HOH A O 4244 O O . HOH I . ? 0.6096 0.6580 0.7206 -0.0100 -0.0230 0.0092 580 HOH A O 4245 O O . HOH I . ? 0.7471 0.8564 0.8099 0.0108 -0.0366 -0.0494 581 HOH A O 4246 O O . HOH I . ? 0.8254 0.6447 0.8266 0.0382 -0.0573 -0.0378 582 HOH A O 4247 O O . HOH I . ? 0.6837 0.6456 0.6587 -0.0996 -0.0134 -0.0125 583 HOH A O 4248 O O . HOH I . ? 0.5705 0.7012 0.5361 0.0044 -0.0145 0.0118 584 HOH A O 4249 O O . HOH I . ? 1.0613 0.7185 0.7927 -0.0755 0.0312 -0.0357 585 HOH A O 4250 O O . HOH I . ? 1.0289 1.6198 0.7442 -0.0475 -0.0134 -0.1332 586 HOH A O 4251 O O . HOH I . ? 0.5165 0.7031 0.5483 0.0129 -0.0167 -0.0514 587 HOH A O 4252 O O . HOH I . ? 0.4849 0.5644 0.5824 0.0009 -0.0454 0.0103 588 HOH A O 4253 O O . HOH I . ? 0.7058 0.6233 0.7420 0.1084 -0.0488 -0.0339 589 HOH A O 4254 O O . HOH I . ? 0.6364 0.6967 0.7212 0.1187 -0.0410 -0.0288 590 HOH A O 4255 O O . HOH I . ? 0.7402 0.7516 0.7575 -0.0574 -0.0170 0.0304 591 HOH A O 4256 O O . HOH I . ? 0.5506 0.5744 0.5765 -0.0653 -0.0325 0.0173 592 HOH A O 4257 O O . HOH I . ? 0.6371 0.5296 0.6734 0.0694 -0.0491 -0.0418 593 HOH A O 4258 O O . HOH I . ? 0.6334 0.8528 0.7600 0.0452 -0.0371 -0.0095 594 HOH A O 4259 O O . HOH I . ? 0.5950 0.4992 0.6298 -0.0657 -0.0615 -0.0178 595 HOH A O 4260 O O . HOH I . ? 0.5736 0.6942 0.6897 0.0570 -0.0344 -0.0240 596 HOH A O 4261 O O . HOH I . ? 0.8148 0.7602 0.8156 -0.0245 -0.0037 -0.0078 597 HOH A O 4262 O O . HOH I . ? 0.9138 0.8226 0.9186 -0.1421 -0.0683 0.0225 598 HOH A O 4263 O O . HOH I . ? 0.6118 0.6361 0.6769 0.1283 -0.0381 -0.0452 599 HOH A O 4264 O O . HOH I . ? 0.7438 0.5571 0.7490 0.0348 -0.0619 -0.0075 600 HOH A O 4265 O O . HOH I . ? 0.5959 0.7858 0.7024 -0.0138 -0.0235 -0.0193 601 HOH A O 4266 O O . HOH I . ? 0.6743 0.6120 0.7063 0.0290 0.0019 -0.0030 602 HOH A O 4267 O O . HOH I . ? 0.8171 0.8366 0.8826 -0.0155 -0.0529 0.0374 603 HOH A O 4268 O O . HOH I . ? 0.6902 0.8631 0.7304 -0.0483 -0.0047 -0.0196 604 HOH A O 4269 O O . HOH I . ? 0.6001 0.6892 0.6908 0.1207 -0.0377 -0.0330 605 HOH A O 4270 O O . HOH I . ? 0.5785 0.7323 0.6111 0.0261 -0.0243 -0.0752 606 HOH A O 4271 O O . HOH I . ? 0.5323 0.5624 0.6399 0.0003 -0.0208 0.0038 607 HOH A O 4272 O O . HOH I . ? 0.5893 0.6108 0.6565 0.1066 -0.0346 -0.0563 608 HOH A O 4273 O O . HOH I . ? 0.6111 0.6348 0.6989 0.0153 -0.0203 -0.0216 609 HOH A O 4274 O O . HOH I . ? 0.8095 0.7698 0.8691 0.0120 -0.0459 -0.0560 610 HOH A O 4275 O O . HOH I . ? 0.6877 0.6147 0.7154 -0.0014 -0.0026 -0.0086 611 HOH A O 4276 O O . HOH I . ? 0.8582 0.7100 0.8348 -0.1432 -0.0724 0.0260 612 HOH A O 4277 O O . HOH I . ? 0.7268 0.8254 0.7864 0.0150 0.0150 0.0262 613 HOH A O 4278 O O . HOH I . ? 0.6476 0.5929 0.6812 -0.0146 -0.0075 -0.0118 614 HOH A O 4279 O O . HOH I . ? 0.8190 0.8275 0.7964 -0.1125 -0.0244 -0.0046 615 HOH A O 4280 O O . HOH I . ? 0.6744 0.6885 0.7716 0.0009 -0.0396 -0.0325 616 HOH A O 4281 O O . HOH I . ? 0.5971 0.7525 0.7165 0.0468 -0.0409 -0.0067 617 HOH A O 4282 O O . HOH I . ? 0.6385 0.6505 0.6426 0.0155 -0.0087 0.0034 618 HOH A O 4283 O O . HOH I . ? 0.5806 0.7097 0.6347 -0.0838 -0.0231 -0.0092 619 HOH A O 4284 O O . HOH I . ? 0.7228 0.8590 0.7276 -0.0329 -0.0045 -0.0119 620 HOH A O 4285 O O . HOH I . ? 0.5332 0.5721 0.6392 0.0092 -0.0318 -0.0206 621 HOH A O 4286 O O . HOH I . ? 0.6233 0.7309 0.7336 -0.0054 -0.0119 0.0229 622 HOH A O 4287 O O . HOH I . ? 0.7483 1.1453 0.8756 0.0670 -0.0109 -0.0379 623 HOH A O 4288 O O . HOH I . ? 0.5804 0.5978 0.6782 0.0151 -0.0234 -0.0210 624 HOH A O 4289 O O . HOH I . ? 0.7354 0.6640 0.7489 -0.0039 -0.0030 -0.0082 625 HOH A O # 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 PRO 1 9 9 PRO PRO A . n A 1 2 GLY 2 10 10 GLY GLY A . n A 1 3 ASP 3 11 11 ASP ASP A . n A 1 4 GLN 4 12 12 GLN GLN A . n A 1 5 ILE 5 13 13 ILE ILE A . n A 1 6 CYS 6 14 14 CYS CYS A . n A 1 7 ILE 7 15 15 ILE ILE A . n A 1 8 GLY 8 16 16 GLY GLY A . n A 1 9 TYR 9 17 17 TYR TYR A . n A 1 10 HIS 10 18 18 HIS HIS A . n A 1 11 ALA 11 19 19 ALA ALA A . n A 1 12 ASN 12 20 20 ASN ASN A . n A 1 13 ASN 13 21 21 ASN ASN A . n A 1 14 SER 14 22 22 SER SER A . n A 1 15 THR 15 23 23 THR THR A . n A 1 16 GLU 16 24 24 GLU GLU A . n A 1 17 LYS 17 25 25 LYS LYS A . n A 1 18 VAL 18 26 26 VAL VAL A . n A 1 19 ASP 19 27 27 ASP ASP A . n A 1 20 THR 20 28 28 THR THR A . n A 1 21 ILE 21 29 29 ILE ILE A . n A 1 22 LEU 22 30 30 LEU LEU A . n A 1 23 GLU 23 31 31 GLU GLU A . n A 1 24 ARG 24 32 32 ARG ARG A . n A 1 25 ASN 25 33 33 ASN ASN A . n A 1 26 VAL 26 34 34 VAL VAL A . n A 1 27 THR 27 35 35 THR THR A . n A 1 28 VAL 28 36 36 VAL VAL A . n A 1 29 THR 29 37 37 THR THR A . n A 1 30 HIS 30 38 38 HIS HIS A . n A 1 31 ALA 31 39 39 ALA ALA A . n A 1 32 LYS 32 40 40 LYS LYS A . n A 1 33 ASP 33 41 41 ASP ASP A . n A 1 34 ILE 34 42 42 ILE ILE A . n A 1 35 LEU 35 43 43 LEU LEU A . n A 1 36 GLU 36 44 44 GLU GLU A . n A 1 37 LYS 37 45 45 LYS LYS A . n A 1 38 THR 38 46 46 THR THR A . n A 1 39 HIS 39 47 47 HIS HIS A . n A 1 40 ASN 40 48 48 ASN ASN A . n A 1 41 GLY 41 49 49 GLY GLY A . n A 1 42 LYS 42 50 50 LYS LYS A . n A 1 43 LEU 43 51 51 LEU LEU A . n A 1 44 CYS 44 52 52 CYS CYS A . n A 1 45 LYS 45 53 53 LYS LYS A . n A 1 46 LEU 46 53 53 LEU LEU A A n A 1 47 ASN 47 54 54 ASN ASN A . n A 1 48 GLY 48 55 55 GLY GLY A . n A 1 49 ILE 49 56 56 ILE ILE A . n A 1 50 PRO 50 57 57 PRO PRO A . n A 1 51 PRO 51 58 58 PRO PRO A . n A 1 52 LEU 52 59 59 LEU LEU A . n A 1 53 GLU 53 60 60 GLU GLU A . n A 1 54 LEU 54 61 61 LEU LEU A . n A 1 55 GLY 55 62 62 GLY GLY A . n A 1 56 ASP 56 63 63 ASP ASP A . n A 1 57 CYS 57 64 64 CYS CYS A . n A 1 58 SER 58 65 65 SER SER A . n A 1 59 ILE 59 66 66 ILE ILE A . n A 1 60 ALA 60 67 67 ALA ALA A . n A 1 61 GLY 61 68 68 GLY GLY A . n A 1 62 TRP 62 69 69 TRP TRP A . n A 1 63 LEU 63 70 70 LEU LEU A . n A 1 64 LEU 64 71 71 LEU LEU A . n A 1 65 GLY 65 72 72 GLY GLY A . n A 1 66 ASN 66 73 73 ASN ASN A . n A 1 67 PRO 67 74 74 PRO PRO A . n A 1 68 GLU 68 75 75 GLU GLU A . n A 1 69 CYS 69 76 76 CYS CYS A . n A 1 70 ASP 70 77 77 ASP ASP A . n A 1 71 ARG 71 78 78 ARG ARG A . n A 1 72 LEU 72 79 79 LEU LEU A . n A 1 73 LEU 73 80 80 LEU LEU A . n A 1 74 SER 74 81 81 SER SER A . n A 1 75 VAL 75 81 81 VAL VAL A A n A 1 76 PRO 76 82 82 PRO PRO A . n A 1 77 GLU 77 83 83 GLU GLU A . n A 1 78 TRP 78 84 84 TRP TRP A . n A 1 79 SER 79 85 85 SER SER A . n A 1 80 TYR 80 86 86 TYR TYR A . n A 1 81 ILE 81 87 87 ILE ILE A . n A 1 82 MET 82 88 88 MET MET A . n A 1 83 GLU 83 89 89 GLU GLU A . n A 1 84 LYS 84 90 90 LYS LYS A . n A 1 85 GLU 85 91 91 GLU GLU A . n A 1 86 ASN 86 92 92 ASN ASN A . n A 1 87 PRO 87 93 93 PRO PRO A . n A 1 88 ARG 88 94 94 ARG ARG A . n A 1 89 ASP 89 95 95 ASP ASP A . n A 1 90 GLY 90 95 95 GLY GLY A A n A 1 91 LEU 91 96 96 LEU LEU A . n A 1 92 CYS 92 97 97 CYS CYS A . n A 1 93 TYR 93 98 98 TYR TYR A . n A 1 94 PRO 94 99 99 PRO PRO A . n A 1 95 GLY 95 100 100 GLY GLY A . n A 1 96 SER 96 101 101 SER SER A . n A 1 97 PHE 97 102 102 PHE PHE A . n A 1 98 ASN 98 103 103 ASN ASN A . n A 1 99 ASP 99 104 104 ASP ASP A . n A 1 100 TYR 100 105 105 TYR TYR A . n A 1 101 GLU 101 106 106 GLU GLU A . n A 1 102 GLU 102 107 107 GLU GLU A . n A 1 103 LEU 103 108 108 LEU LEU A . n A 1 104 LYS 104 109 109 LYS LYS A . n A 1 105 HIS 105 110 110 HIS HIS A . n A 1 106 LEU 106 111 111 LEU LEU A . n A 1 107 LEU 107 112 112 LEU LEU A . n A 1 108 SER 108 113 113 SER SER A . n A 1 109 SER 109 114 114 SER SER A . n A 1 110 VAL 110 115 115 VAL VAL A . n A 1 111 LYS 111 116 116 LYS LYS A . n A 1 112 HIS 112 116 116 HIS HIS A A n A 1 113 PHE 113 116 116 PHE PHE A B n A 1 114 GLU 114 116 116 GLU GLU A C n A 1 115 LYS 115 117 117 LYS LYS A . n A 1 116 VAL 116 118 118 VAL VAL A . n A 1 117 LYS 117 119 119 LYS LYS A . n A 1 118 ILE 118 120 120 ILE ILE A . n A 1 119 LEU 119 121 121 LEU LEU A . n A 1 120 PRO 120 122 122 PRO PRO A . n A 1 121 LYS 121 123 123 LYS LYS A . n A 1 122 ASP 122 125 125 ASP ASP A . n A 1 123 ARG 123 126 126 ARG ARG A . n A 1 124 TRP 124 127 127 TRP TRP A . n A 1 125 THR 125 128 128 THR THR A . n A 1 126 GLN 126 129 129 GLN GLN A . n A 1 127 HIS 127 130 130 HIS HIS A . n A 1 128 THR 128 131 131 THR THR A . n A 1 129 THR 129 132 132 THR THR A . n A 1 130 THR 130 133 133 THR THR A . n A 1 131 GLY 131 134 134 GLY GLY A . n A 1 132 GLY 132 135 135 GLY GLY A . n A 1 133 SER 133 136 136 SER SER A . n A 1 134 ARG 134 137 137 ARG ARG A . n A 1 135 ALA 135 138 138 ALA ALA A . n A 1 136 CYS 136 139 139 CYS CYS A . n A 1 137 ALA 137 140 140 ALA ALA A . n A 1 138 VAL 138 141 141 VAL VAL A . n A 1 139 SER 139 142 142 SER SER A . n A 1 140 GLY 140 143 143 GLY GLY A . n A 1 141 ASN 141 144 144 ASN ASN A . n A 1 142 PRO 142 145 145 PRO PRO A . n A 1 143 SER 143 146 146 SER SER A . n A 1 144 PHE 144 147 147 PHE PHE A . n A 1 145 PHE 145 148 148 PHE PHE A . n A 1 146 ARG 146 149 149 ARG ARG A . n A 1 147 ASN 147 150 150 ASN ASN A . n A 1 148 MET 148 151 151 MET MET A . n A 1 149 VAL 149 152 152 VAL VAL A . n A 1 150 TRP 150 153 153 TRP TRP A . n A 1 151 LEU 151 154 154 LEU LEU A . n A 1 152 THR 152 155 155 THR THR A . n A 1 153 GLU 153 156 156 GLU GLU A . n A 1 154 LYS 154 157 157 LYS LYS A . n A 1 155 GLY 155 158 158 GLY GLY A . n A 1 156 SER 156 159 159 SER SER A . n A 1 157 ASN 157 160 160 ASN ASN A . n A 1 158 TYR 158 161 161 TYR TYR A . n A 1 159 PRO 159 162 162 PRO PRO A . n A 1 160 VAL 160 163 163 VAL VAL A . n A 1 161 ALA 161 164 164 ALA ALA A . n A 1 162 LYS 162 165 165 LYS LYS A . n A 1 163 GLY 163 166 166 GLY GLY A . n A 1 164 SER 164 167 167 SER SER A . n A 1 165 TYR 165 168 168 TYR TYR A . n A 1 166 ASN 166 169 169 ASN ASN A . n A 1 167 ASN 167 170 170 ASN ASN A . n A 1 168 THR 168 171 171 THR THR A . n A 1 169 SER 169 172 172 SER SER A . n A 1 170 GLY 170 173 173 GLY GLY A . n A 1 171 GLU 171 174 174 GLU GLU A . n A 1 172 GLN 172 175 175 GLN GLN A . n A 1 173 MET 173 176 176 MET MET A . n A 1 174 LEU 174 177 177 LEU LEU A . n A 1 175 ILE 175 178 178 ILE ILE A . n A 1 176 ILE 176 179 179 ILE ILE A . n A 1 177 TRP 177 180 180 TRP TRP A . n A 1 178 GLY 178 181 181 GLY GLY A . n A 1 179 VAL 179 182 182 VAL VAL A . n A 1 180 HIS 180 183 183 HIS HIS A . n A 1 181 HIS 181 184 184 HIS HIS A . n A 1 182 PRO 182 185 185 PRO PRO A . n A 1 183 ASN 183 186 186 ASN ASN A . n A 1 184 ASP 184 187 187 ASP ASP A . n A 1 185 GLU 185 188 188 GLU GLU A . n A 1 186 THR 186 189 189 THR THR A . n A 1 187 GLU 187 190 190 GLU GLU A . n A 1 188 GLN 188 191 191 GLN GLN A . n A 1 189 ARG 189 192 192 ARG ARG A . n A 1 190 THR 190 193 193 THR THR A . n A 1 191 LEU 191 194 194 LEU LEU A . n A 1 192 TYR 192 195 195 TYR TYR A . n A 1 193 GLN 193 196 196 GLN GLN A . n A 1 194 ASN 194 197 197 ASN ASN A . n A 1 195 VAL 195 198 198 VAL VAL A . n A 1 196 GLY 196 199 199 GLY GLY A . n A 1 197 THR 197 200 200 THR THR A . n A 1 198 TYR 198 201 201 TYR TYR A . n A 1 199 VAL 199 202 202 VAL VAL A . n A 1 200 SER 200 203 203 SER SER A . n A 1 201 VAL 201 204 204 VAL VAL A . n A 1 202 GLY 202 205 205 GLY GLY A . n A 1 203 THR 203 206 206 THR THR A . n A 1 204 SER 204 207 207 SER SER A . n A 1 205 THR 205 208 208 THR THR A . n A 1 206 LEU 206 209 209 LEU LEU A . n A 1 207 ASN 207 210 210 ASN ASN A . n A 1 208 LYS 208 211 211 LYS LYS A . n A 1 209 ARG 209 212 212 ARG ARG A . n A 1 210 SER 210 213 213 SER SER A . n A 1 211 THR 211 214 214 THR THR A . n A 1 212 PRO 212 215 215 PRO PRO A . n A 1 213 GLU 213 216 216 GLU GLU A . n A 1 214 ILE 214 217 217 ILE ILE A . n A 1 215 ALA 215 218 218 ALA ALA A . n A 1 216 THR 216 219 219 THR THR A . n A 1 217 ARG 217 220 220 ARG ARG A . n A 1 218 PRO 218 221 221 PRO PRO A . n A 1 219 LYS 219 222 222 LYS LYS A . n A 1 220 VAL 220 223 223 VAL VAL A . n A 1 221 ASN 221 224 224 ASN ASN A . n A 1 222 GLY 222 225 225 GLY GLY A . n A 1 223 GLN 223 226 226 GLN GLN A . n A 1 224 GLY 224 227 227 GLY GLY A . n A 1 225 GLY 225 228 228 GLY GLY A . n A 1 226 ARG 226 229 229 ARG ARG A . n A 1 227 MET 227 230 230 MET MET A . n A 1 228 GLU 228 231 231 GLU GLU A . n A 1 229 PHE 229 232 232 PHE PHE A . n A 1 230 SER 230 233 233 SER SER A . n A 1 231 TRP 231 234 234 TRP TRP A . n A 1 232 THR 232 235 235 THR THR A . n A 1 233 LEU 233 236 236 LEU LEU A . n A 1 234 LEU 234 237 237 LEU LEU A . n A 1 235 ASP 235 238 238 ASP ASP A . n A 1 236 MET 236 239 239 MET MET A . n A 1 237 TRP 237 240 240 TRP TRP A . n A 1 238 ASP 238 241 241 ASP ASP A . n A 1 239 THR 239 242 242 THR THR A . n A 1 240 ILE 240 243 243 ILE ILE A . n A 1 241 ASN 241 244 244 ASN ASN A . n A 1 242 PHE 242 245 245 PHE PHE A . n A 1 243 GLU 243 246 246 GLU GLU A . n A 1 244 SER 244 247 247 SER SER A . n A 1 245 THR 245 248 248 THR THR A . n A 1 246 GLY 246 249 249 GLY GLY A . n A 1 247 ASN 247 250 250 ASN ASN A . n A 1 248 LEU 248 251 251 LEU LEU A . n A 1 249 ILE 249 252 252 ILE ILE A . n A 1 250 ALA 250 253 253 ALA ALA A . n A 1 251 PRO 251 254 254 PRO PRO A . n A 1 252 GLU 252 255 255 GLU GLU A . n A 1 253 TYR 253 256 256 TYR TYR A . n A 1 254 GLY 254 257 257 GLY GLY A . n A 1 255 PHE 255 258 258 PHE PHE A . n A 1 256 LYS 256 259 259 LYS LYS A . n A 1 257 ILE 257 260 260 ILE ILE A . n A 1 258 SER 258 261 261 SER SER A . n A 1 259 LYS 259 262 262 LYS LYS A . n A 1 260 ARG 260 263 263 ARG ARG A . n A 1 261 GLY 261 263 263 GLY GLY A A n A 1 262 SER 262 264 264 SER SER A . n A 1 263 SER 263 265 265 SER SER A . n A 1 264 GLY 264 266 266 GLY GLY A . n A 1 265 ILE 265 267 267 ILE ILE A . n A 1 266 MET 266 268 268 MET MET A . n A 1 267 LYS 267 269 269 LYS LYS A . n A 1 268 THR 268 270 270 THR THR A . n A 1 269 GLU 269 271 271 GLU GLU A . n A 1 270 GLY 270 272 272 GLY GLY A . n A 1 271 THR 271 273 273 THR THR A . n A 1 272 LEU 272 274 274 LEU LEU A . n A 1 273 GLU 273 275 275 GLU GLU A . n A 1 274 ASN 274 276 276 ASN ASN A . n A 1 275 CYS 275 277 277 CYS CYS A . n A 1 276 GLU 276 278 278 GLU GLU A . n A 1 277 THR 277 279 279 THR THR A . n A 1 278 LYS 278 280 280 LYS LYS A . n A 1 279 CYS 279 281 281 CYS CYS A . n A 1 280 GLN 280 282 282 GLN GLN A . n A 1 281 THR 281 283 283 THR THR A . n A 1 282 PRO 282 284 284 PRO PRO A . n A 1 283 LEU 283 285 285 LEU LEU A . n A 1 284 GLY 284 286 286 GLY GLY A . n A 1 285 ALA 285 287 287 ALA ALA A . n A 1 286 ILE 286 288 288 ILE ILE A . n A 1 287 ASN 287 289 289 ASN ASN A . n A 1 288 THR 288 290 290 THR THR A . n A 1 289 THR 289 291 291 THR THR A . n A 1 290 LEU 290 292 292 LEU LEU A . n A 1 291 PRO 291 293 293 PRO PRO A . n A 1 292 PHE 292 294 294 PHE PHE A . n A 1 293 HIS 293 295 295 HIS HIS A . n A 1 294 ASN 294 296 296 ASN ASN A . n A 1 295 VAL 295 297 297 VAL VAL A . n A 1 296 HIS 296 298 298 HIS HIS A . n A 1 297 PRO 297 299 299 PRO PRO A . n A 1 298 LEU 298 300 300 LEU LEU A . n A 1 299 THR 299 301 301 THR THR A . n A 1 300 ILE 300 302 302 ILE ILE A . n A 1 301 GLY 301 303 303 GLY GLY A . n A 1 302 GLU 302 304 304 GLU GLU A . n A 1 303 CYS 303 305 305 CYS CYS A . n A 1 304 PRO 304 306 306 PRO PRO A . n A 1 305 LYS 305 307 307 LYS LYS A . n A 1 306 TYR 306 308 308 TYR TYR A . n A 1 307 VAL 307 309 309 VAL VAL A . n A 1 308 LYS 308 310 310 LYS LYS A . n A 1 309 SER 309 311 311 SER SER A . n A 1 310 GLU 310 312 312 GLU GLU A . n A 1 311 LYS 311 313 313 LYS LYS A . n A 1 312 LEU 312 314 314 LEU LEU A . n A 1 313 VAL 313 315 315 VAL VAL A . n A 1 314 LEU 314 316 316 LEU LEU A . n A 1 315 ALA 315 317 317 ALA ALA A . n A 1 316 THR 316 318 318 THR THR A . n A 1 317 GLY 317 319 319 GLY GLY A . n A 1 318 LEU 318 320 320 LEU LEU A . n A 1 319 ARG 319 321 321 ARG ARG A . n A 1 320 ASN 320 322 322 ASN ASN A . n A 1 321 VAL 321 323 323 VAL VAL A . n A 1 322 PRO 322 324 324 PRO PRO A . n A 1 323 GLN 323 325 325 GLN GLN A . n A 1 324 ILE 324 326 ? ? ? A . n A 1 325 GLU 325 327 ? ? ? A . n A 1 326 SER 326 328 ? ? ? A . n A 1 327 ARG 327 329 ? ? ? A . n B 2 1 GLY 1 1 1 GLY GLY B . n B 2 2 LEU 2 2 2 LEU LEU B . n B 2 3 PHE 3 3 3 PHE PHE B . n B 2 4 GLY 4 4 4 GLY GLY B . n B 2 5 ALA 5 5 5 ALA ALA B . n B 2 6 ILE 6 6 6 ILE ILE B . n B 2 7 ALA 7 7 7 ALA ALA B . n B 2 8 GLY 8 8 8 GLY GLY B . n B 2 9 PHE 9 9 9 PHE PHE B . n B 2 10 ILE 10 10 10 ILE ILE B . n B 2 11 GLU 11 11 11 GLU GLU B . n B 2 12 GLY 12 12 12 GLY GLY B . n B 2 13 GLY 13 13 13 GLY GLY B . n B 2 14 TRP 14 14 14 TRP TRP B . n B 2 15 GLN 15 15 15 GLN GLN B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 MET 17 17 17 MET MET B . n B 2 18 VAL 18 18 18 VAL VAL B . n B 2 19 ASP 19 19 19 ASP ASP B . n B 2 20 GLY 20 20 20 GLY GLY B . n B 2 21 TRP 21 21 21 TRP TRP B . n B 2 22 TYR 22 22 22 TYR TYR B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 TYR 24 24 24 TYR TYR B . n B 2 25 HIS 25 25 25 HIS HIS B . n B 2 26 HIS 26 26 26 HIS HIS B . n B 2 27 SER 27 27 27 SER SER B . n B 2 28 ASN 28 28 28 ASN ASN B . n B 2 29 ASP 29 29 29 ASP ASP B . n B 2 30 GLN 30 30 30 GLN GLN B . n B 2 31 GLY 31 31 31 GLY GLY B . n B 2 32 SER 32 32 32 SER SER B . n B 2 33 GLY 33 33 33 GLY GLY B . n B 2 34 TYR 34 34 34 TYR TYR B . n B 2 35 ALA 35 35 35 ALA ALA B . n B 2 36 ALA 36 36 36 ALA ALA B . n B 2 37 ASP 37 37 37 ASP ASP B . n B 2 38 LYS 38 38 38 LYS LYS B . n B 2 39 GLU 39 39 39 GLU GLU B . n B 2 40 SER 40 40 40 SER SER B . n B 2 41 THR 41 41 41 THR THR B . n B 2 42 GLN 42 42 42 GLN GLN B . n B 2 43 LYS 43 43 43 LYS LYS B . n B 2 44 ALA 44 44 44 ALA ALA B . n B 2 45 PHE 45 45 45 PHE PHE B . n B 2 46 ASP 46 46 46 ASP ASP B . n B 2 47 GLY 47 47 47 GLY GLY B . n B 2 48 ILE 48 48 48 ILE ILE B . n B 2 49 THR 49 49 49 THR THR B . n B 2 50 ASN 50 50 50 ASN ASN B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 VAL 52 52 52 VAL VAL B . n B 2 53 ASN 53 53 53 ASN ASN B . n B 2 54 SER 54 54 54 SER SER B . n B 2 55 VAL 55 55 55 VAL VAL B . n B 2 56 ILE 56 56 56 ILE ILE B . n B 2 57 GLU 57 57 57 GLU GLU B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 MET 59 59 59 MET MET B . n B 2 60 ASN 60 60 60 ASN ASN B . n B 2 61 THR 61 61 61 THR THR B . n B 2 62 GLN 62 62 62 GLN GLN B . n B 2 63 PHE 63 63 63 PHE PHE B . n B 2 64 GLU 64 64 64 GLU GLU B . n B 2 65 ALA 65 65 65 ALA ALA B . n B 2 66 VAL 66 66 66 VAL VAL B . n B 2 67 GLY 67 67 67 GLY GLY B . n B 2 68 LYS 68 68 68 LYS LYS B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 SER 71 71 71 SER SER B . n B 2 72 ASN 72 72 72 ASN ASN B . n B 2 73 LEU 73 73 73 LEU LEU B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 ARG 75 75 75 ARG ARG B . n B 2 76 ARG 76 76 76 ARG ARG B . n B 2 77 LEU 77 77 77 LEU LEU B . n B 2 78 GLU 78 78 78 GLU GLU B . n B 2 79 ASN 79 79 79 ASN ASN B . n B 2 80 LEU 80 80 80 LEU LEU B . n B 2 81 ASN 81 81 81 ASN ASN B . n B 2 82 LYS 82 82 82 LYS LYS B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 MET 84 84 84 MET MET B . n B 2 85 GLU 85 85 85 GLU GLU B . n B 2 86 ASP 86 86 86 ASP ASP B . n B 2 87 GLY 87 87 87 GLY GLY B . n B 2 88 PHE 88 88 88 PHE PHE B . n B 2 89 LEU 89 89 89 LEU LEU B . n B 2 90 ASP 90 90 90 ASP ASP B . n B 2 91 VAL 91 91 91 VAL VAL B . n B 2 92 TRP 92 92 92 TRP TRP B . n B 2 93 THR 93 93 93 THR THR B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 ASN 95 95 95 ASN ASN B . n B 2 96 ALA 96 96 96 ALA ALA B . n B 2 97 GLU 97 97 97 GLU GLU B . n B 2 98 LEU 98 98 98 LEU LEU B . n B 2 99 LEU 99 99 99 LEU LEU B . n B 2 100 VAL 100 100 100 VAL VAL B . n B 2 101 LEU 101 101 101 LEU LEU B . n B 2 102 MET 102 102 102 MET MET B . n B 2 103 GLU 103 103 103 GLU GLU B . n B 2 104 ASN 104 104 104 ASN ASN B . n B 2 105 GLU 105 105 105 GLU GLU B . n B 2 106 HIS 106 106 106 HIS HIS B . n B 2 107 THR 107 107 107 THR THR B . n B 2 108 LEU 108 108 108 LEU LEU B . n B 2 109 ASP 109 109 109 ASP ASP B . n B 2 110 PHE 110 110 110 PHE PHE B . n B 2 111 HIS 111 111 111 HIS HIS B . n B 2 112 ASP 112 112 112 ASP ASP B . n B 2 113 SER 113 113 113 SER SER B . n B 2 114 ASN 114 114 114 ASN ASN B . n B 2 115 VAL 115 115 115 VAL VAL B . n B 2 116 LYS 116 116 116 LYS LYS B . n B 2 117 ASN 117 117 117 ASN ASN B . n B 2 118 LEU 118 118 118 LEU LEU B . n B 2 119 TYR 119 119 119 TYR TYR B . n B 2 120 ASP 120 120 120 ASP ASP B . n B 2 121 LYS 121 121 121 LYS LYS B . n B 2 122 VAL 122 122 122 VAL VAL B . n B 2 123 ARG 123 123 123 ARG ARG B . n B 2 124 MET 124 124 124 MET MET B . n B 2 125 GLN 125 125 125 GLN GLN B . n B 2 126 LEU 126 126 126 LEU LEU B . n B 2 127 ARG 127 127 127 ARG ARG B . n B 2 128 ASP 128 128 128 ASP ASP B . n B 2 129 ASN 129 129 129 ASN ASN B . n B 2 130 VAL 130 130 130 VAL VAL B . n B 2 131 LYS 131 131 131 LYS LYS B . n B 2 132 GLU 132 132 132 GLU GLU B . n B 2 133 LEU 133 133 133 LEU LEU B . n B 2 134 GLY 134 134 134 GLY GLY B . n B 2 135 ASN 135 135 135 ASN ASN B . n B 2 136 GLY 136 136 136 GLY GLY B . n B 2 137 CYS 137 137 137 CYS CYS B . n B 2 138 PHE 138 138 138 PHE PHE B . n B 2 139 GLU 139 139 139 GLU GLU B . n B 2 140 PHE 140 140 140 PHE PHE B . n B 2 141 TYR 141 141 141 TYR TYR B . n B 2 142 HIS 142 142 142 HIS HIS B . n B 2 143 LYS 143 143 143 LYS LYS B . n B 2 144 CYS 144 144 144 CYS CYS B . n B 2 145 ASP 145 145 145 ASP ASP B . n B 2 146 ASP 146 146 146 ASP ASP B . n B 2 147 GLU 147 147 147 GLU GLU B . n B 2 148 CYS 148 148 148 CYS CYS B . n B 2 149 MET 149 149 149 MET MET B . n B 2 150 ASN 150 150 150 ASN ASN B . n B 2 151 SER 151 151 151 SER SER B . n B 2 152 VAL 152 152 152 VAL VAL B . n B 2 153 LYS 153 153 153 LYS LYS B . n B 2 154 ASN 154 154 154 ASN ASN B . n B 2 155 GLY 155 155 155 GLY GLY B . n B 2 156 THR 156 156 156 THR THR B . n B 2 157 TYR 157 157 157 TYR TYR B . n B 2 158 ASP 158 158 158 ASP ASP B . n B 2 159 TYR 159 159 159 TYR TYR B . n B 2 160 PRO 160 160 160 PRO PRO B . n B 2 161 LYS 161 161 161 LYS LYS B . n B 2 162 TYR 162 162 162 TYR TYR B . n B 2 163 GLU 163 163 163 GLU GLU B . n B 2 164 GLU 164 164 164 GLU GLU B . n B 2 165 GLU 165 165 165 GLU GLU B . n B 2 166 SER 166 166 166 SER SER B . n B 2 167 LYS 167 167 167 LYS LYS B . n B 2 168 LEU 168 168 168 LEU LEU B . n B 2 169 ASN 169 169 169 ASN ASN B . n B 2 170 ARG 170 170 170 ARG ARG B . n B 2 171 ASN 171 171 171 ASN ASN B . n B 2 172 GLU 172 172 172 GLU GLU B . n B 2 173 ILE 173 173 ? ? ? B . n B 2 174 LYS 174 174 ? ? ? 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 3 NAG 1 330 111 NAG NAG A . D 3 NAG 2 331 112 NAG NAG A . E 3 NAG 1 332 121 NAG NAG A . F 4 EDO 1 1 1 EDO EDO A . G 3 NAG 1 175 131 NAG NAG B . H 5 PEG 1 176 1 PEG PEG B . I 6 HOH 1 2 2 HOH HOH A . I 6 HOH 2 3 3 HOH HOH A . I 6 HOH 3 4 4 HOH HOH A . I 6 HOH 4 5 5 HOH HOH A . I 6 HOH 5 6 6 HOH HOH A . I 6 HOH 6 7 7 HOH HOH A . I 6 HOH 7 8 8 HOH HOH A . I 6 HOH 8 124 124 HOH HOH A . I 6 HOH 9 333 333 HOH HOH A . I 6 HOH 10 334 334 HOH HOH A . I 6 HOH 11 335 335 HOH HOH A . I 6 HOH 12 336 1 HOH HOH A . I 6 HOH 13 337 337 HOH HOH A . I 6 HOH 14 338 338 HOH HOH A . I 6 HOH 15 339 9 HOH HOH A . I 6 HOH 16 340 340 HOH HOH A . I 6 HOH 17 341 341 HOH HOH A . I 6 HOH 18 342 342 HOH HOH A . I 6 HOH 19 343 343 HOH HOH A . I 6 HOH 20 344 344 HOH HOH A . I 6 HOH 21 345 10 HOH HOH A . I 6 HOH 22 346 346 HOH HOH A . I 6 HOH 23 347 347 HOH HOH A . I 6 HOH 24 348 11 HOH HOH A . I 6 HOH 25 349 349 HOH HOH A . I 6 HOH 26 350 350 HOH HOH A . I 6 HOH 27 351 351 HOH HOH A . I 6 HOH 28 352 352 HOH HOH A . I 6 HOH 29 353 13 HOH HOH A . I 6 HOH 30 354 354 HOH HOH A . I 6 HOH 31 355 15 HOH HOH A . I 6 HOH 32 356 356 HOH HOH A . I 6 HOH 33 357 357 HOH HOH A . I 6 HOH 34 358 16 HOH HOH A . I 6 HOH 35 359 17 HOH HOH A . I 6 HOH 36 360 18 HOH HOH A . I 6 HOH 37 361 361 HOH HOH A . I 6 HOH 38 362 19 HOH HOH A . I 6 HOH 39 363 20 HOH HOH A . I 6 HOH 40 364 21 HOH HOH A . I 6 HOH 41 365 22 HOH HOH A . I 6 HOH 42 366 23 HOH HOH A . I 6 HOH 43 367 367 HOH HOH A . I 6 HOH 44 368 368 HOH HOH A . I 6 HOH 45 369 369 HOH HOH A . I 6 HOH 46 370 370 HOH HOH A . I 6 HOH 47 371 371 HOH HOH A . I 6 HOH 48 372 372 HOH HOH A . I 6 HOH 49 373 24 HOH HOH A . I 6 HOH 50 374 374 HOH HOH A . I 6 HOH 51 375 375 HOH HOH A . I 6 HOH 52 376 25 HOH HOH A . I 6 HOH 53 377 377 HOH HOH A . I 6 HOH 54 378 378 HOH HOH A . I 6 HOH 55 379 379 HOH HOH A . I 6 HOH 56 380 380 HOH HOH A . I 6 HOH 57 381 381 HOH HOH A . I 6 HOH 58 382 26 HOH HOH A . I 6 HOH 59 383 27 HOH HOH A . I 6 HOH 60 384 28 HOH HOH A . I 6 HOH 61 385 29 HOH HOH A . I 6 HOH 62 386 31 HOH HOH A . I 6 HOH 63 387 32 HOH HOH A . I 6 HOH 64 388 388 HOH HOH A . I 6 HOH 65 389 389 HOH HOH A . I 6 HOH 66 390 33 HOH HOH A . I 6 HOH 67 391 391 HOH HOH A . I 6 HOH 68 392 34 HOH HOH A . I 6 HOH 69 393 35 HOH HOH A . I 6 HOH 70 394 394 HOH HOH A . I 6 HOH 71 395 395 HOH HOH A . I 6 HOH 72 396 36 HOH HOH A . I 6 HOH 73 397 397 HOH HOH A . I 6 HOH 74 398 398 HOH HOH A . I 6 HOH 75 399 38 HOH HOH A . I 6 HOH 76 400 400 HOH HOH A . I 6 HOH 77 401 401 HOH HOH A . I 6 HOH 78 402 402 HOH HOH A . I 6 HOH 79 403 403 HOH HOH A . I 6 HOH 80 404 404 HOH HOH A . I 6 HOH 81 405 39 HOH HOH A . I 6 HOH 82 406 40 HOH HOH A . I 6 HOH 83 407 41 HOH HOH A . I 6 HOH 84 408 42 HOH HOH A . I 6 HOH 85 409 44 HOH HOH A . I 6 HOH 86 410 410 HOH HOH A . I 6 HOH 87 411 411 HOH HOH A . I 6 HOH 88 412 45 HOH HOH A . I 6 HOH 89 413 413 HOH HOH A . I 6 HOH 90 414 414 HOH HOH A . I 6 HOH 91 415 415 HOH HOH A . I 6 HOH 92 416 416 HOH HOH A . I 6 HOH 93 417 417 HOH HOH A . I 6 HOH 94 418 46 HOH HOH A . I 6 HOH 95 419 419 HOH HOH A . I 6 HOH 96 420 420 HOH HOH A . I 6 HOH 97 421 421 HOH HOH A . I 6 HOH 98 422 47 HOH HOH A . I 6 HOH 99 423 50 HOH HOH A . I 6 HOH 100 424 51 HOH HOH A . I 6 HOH 101 425 425 HOH HOH A . I 6 HOH 102 426 426 HOH HOH A . I 6 HOH 103 427 53 HOH HOH A . I 6 HOH 104 428 54 HOH HOH A . I 6 HOH 105 429 55 HOH HOH A . I 6 HOH 106 430 56 HOH HOH A . I 6 HOH 107 431 57 HOH HOH A . I 6 HOH 108 432 432 HOH HOH A . I 6 HOH 109 433 58 HOH HOH A . I 6 HOH 110 434 59 HOH HOH A . I 6 HOH 111 435 60 HOH HOH A . I 6 HOH 112 436 61 HOH HOH A . I 6 HOH 113 437 62 HOH HOH A . I 6 HOH 114 438 63 HOH HOH A . I 6 HOH 115 439 64 HOH HOH A . I 6 HOH 116 440 65 HOH HOH A . I 6 HOH 117 441 66 HOH HOH A . I 6 HOH 118 442 67 HOH HOH A . I 6 HOH 119 443 68 HOH HOH A . I 6 HOH 120 444 69 HOH HOH A . I 6 HOH 121 445 70 HOH HOH A . I 6 HOH 122 446 71 HOH HOH A . I 6 HOH 123 447 72 HOH HOH A . I 6 HOH 124 448 73 HOH HOH A . I 6 HOH 125 449 74 HOH HOH A . I 6 HOH 126 450 75 HOH HOH A . I 6 HOH 127 451 76 HOH HOH A . I 6 HOH 128 452 77 HOH HOH A . I 6 HOH 129 453 78 HOH HOH A . I 6 HOH 130 454 79 HOH HOH A . I 6 HOH 131 455 80 HOH HOH A . I 6 HOH 132 456 81 HOH HOH A . I 6 HOH 133 457 82 HOH HOH A . I 6 HOH 134 458 83 HOH HOH A . I 6 HOH 135 459 84 HOH HOH A . I 6 HOH 136 460 85 HOH HOH A . I 6 HOH 137 461 86 HOH HOH A . I 6 HOH 138 462 87 HOH HOH A . I 6 HOH 139 463 88 HOH HOH A . I 6 HOH 140 464 89 HOH HOH A . I 6 HOH 141 465 90 HOH HOH A . I 6 HOH 142 466 91 HOH HOH A . I 6 HOH 143 467 92 HOH HOH A . I 6 HOH 144 468 93 HOH HOH A . I 6 HOH 145 469 94 HOH HOH A . I 6 HOH 146 470 95 HOH HOH A . I 6 HOH 147 471 96 HOH HOH A . I 6 HOH 148 472 97 HOH HOH A . I 6 HOH 149 473 98 HOH HOH A . I 6 HOH 150 474 99 HOH HOH A . I 6 HOH 151 475 101 HOH HOH A . I 6 HOH 152 476 102 HOH HOH A . I 6 HOH 153 477 103 HOH HOH A . I 6 HOH 154 478 104 HOH HOH A . I 6 HOH 155 479 105 HOH HOH A . I 6 HOH 156 480 106 HOH HOH A . I 6 HOH 157 481 107 HOH HOH A . I 6 HOH 158 482 108 HOH HOH A . I 6 HOH 159 483 109 HOH HOH A . I 6 HOH 160 484 110 HOH HOH A . I 6 HOH 161 485 111 HOH HOH A . I 6 HOH 162 486 112 HOH HOH A . I 6 HOH 163 487 114 HOH HOH A . I 6 HOH 164 488 115 HOH HOH A . I 6 HOH 165 489 116 HOH HOH A . I 6 HOH 166 490 121 HOH HOH A . I 6 HOH 167 491 125 HOH HOH A . I 6 HOH 168 492 127 HOH HOH A . I 6 HOH 169 493 129 HOH HOH A . I 6 HOH 170 494 130 HOH HOH A . I 6 HOH 171 495 131 HOH HOH A . I 6 HOH 172 496 132 HOH HOH A . I 6 HOH 173 497 133 HOH HOH A . I 6 HOH 174 498 134 HOH HOH A . I 6 HOH 175 499 135 HOH HOH A . I 6 HOH 176 500 136 HOH HOH A . I 6 HOH 177 501 137 HOH HOH A . I 6 HOH 178 502 139 HOH HOH A . I 6 HOH 179 503 140 HOH HOH A . I 6 HOH 180 504 141 HOH HOH A . I 6 HOH 181 505 142 HOH HOH A . I 6 HOH 182 506 143 HOH HOH A . I 6 HOH 183 507 146 HOH HOH A . I 6 HOH 184 508 148 HOH HOH A . I 6 HOH 185 509 149 HOH HOH A . I 6 HOH 186 510 150 HOH HOH A . I 6 HOH 187 511 151 HOH HOH A . I 6 HOH 188 512 152 HOH HOH A . I 6 HOH 189 513 153 HOH HOH A . I 6 HOH 190 514 154 HOH HOH A . I 6 HOH 191 515 155 HOH HOH A . I 6 HOH 192 516 157 HOH HOH A . I 6 HOH 193 517 159 HOH HOH A . I 6 HOH 194 518 161 HOH HOH A . I 6 HOH 195 519 163 HOH HOH A . I 6 HOH 196 520 164 HOH HOH A . I 6 HOH 197 521 165 HOH HOH A . I 6 HOH 198 522 166 HOH HOH A . I 6 HOH 199 523 167 HOH HOH A . I 6 HOH 200 524 168 HOH HOH A . I 6 HOH 201 525 169 HOH HOH A . I 6 HOH 202 526 171 HOH HOH A . I 6 HOH 203 527 172 HOH HOH A . I 6 HOH 204 528 176 HOH HOH A . I 6 HOH 205 529 178 HOH HOH A . I 6 HOH 206 530 179 HOH HOH A . I 6 HOH 207 531 180 HOH HOH A . I 6 HOH 208 532 181 HOH HOH A . I 6 HOH 209 533 182 HOH HOH A . I 6 HOH 210 534 183 HOH HOH A . I 6 HOH 211 535 184 HOH HOH A . I 6 HOH 212 536 185 HOH HOH A . I 6 HOH 213 537 186 HOH HOH A . I 6 HOH 214 538 187 HOH HOH A . I 6 HOH 215 539 188 HOH HOH A . I 6 HOH 216 540 190 HOH HOH A . I 6 HOH 217 541 191 HOH HOH A . I 6 HOH 218 542 194 HOH HOH A . I 6 HOH 219 543 195 HOH HOH A . I 6 HOH 220 544 196 HOH HOH A . I 6 HOH 221 545 197 HOH HOH A . I 6 HOH 222 546 198 HOH HOH A . I 6 HOH 223 547 199 HOH HOH A . I 6 HOH 224 548 201 HOH HOH A . I 6 HOH 225 549 203 HOH HOH A . I 6 HOH 226 550 205 HOH HOH A . I 6 HOH 227 551 206 HOH HOH A . I 6 HOH 228 552 207 HOH HOH A . I 6 HOH 229 553 208 HOH HOH A . I 6 HOH 230 554 209 HOH HOH A . I 6 HOH 231 555 210 HOH HOH A . I 6 HOH 232 556 213 HOH HOH A . I 6 HOH 233 557 214 HOH HOH A . I 6 HOH 234 558 216 HOH HOH A . I 6 HOH 235 559 217 HOH HOH A . I 6 HOH 236 560 219 HOH HOH A . I 6 HOH 237 561 220 HOH HOH A . I 6 HOH 238 562 221 HOH HOH A . I 6 HOH 239 563 222 HOH HOH A . I 6 HOH 240 564 223 HOH HOH A . I 6 HOH 241 565 226 HOH HOH A . I 6 HOH 242 566 228 HOH HOH A . I 6 HOH 243 567 229 HOH HOH A . I 6 HOH 244 568 230 HOH HOH A . I 6 HOH 245 569 231 HOH HOH A . I 6 HOH 246 570 232 HOH HOH A . I 6 HOH 247 571 235 HOH HOH A . I 6 HOH 248 572 236 HOH HOH A . I 6 HOH 249 573 237 HOH HOH A . I 6 HOH 250 574 238 HOH HOH A . I 6 HOH 251 575 240 HOH HOH A . I 6 HOH 252 576 241 HOH HOH A . I 6 HOH 253 577 242 HOH HOH A . I 6 HOH 254 578 243 HOH HOH A . I 6 HOH 255 579 244 HOH HOH A . I 6 HOH 256 580 245 HOH HOH A . I 6 HOH 257 581 246 HOH HOH A . I 6 HOH 258 582 249 HOH HOH A . I 6 HOH 259 583 250 HOH HOH A . I 6 HOH 260 584 254 HOH HOH A . I 6 HOH 261 585 255 HOH HOH A . I 6 HOH 262 586 261 HOH HOH A . I 6 HOH 263 587 263 HOH HOH A . I 6 HOH 264 588 264 HOH HOH A . I 6 HOH 265 589 266 HOH HOH A . I 6 HOH 266 590 267 HOH HOH A . I 6 HOH 267 591 268 HOH HOH A . I 6 HOH 268 592 269 HOH HOH A . I 6 HOH 269 593 270 HOH HOH A . I 6 HOH 270 594 272 HOH HOH A . I 6 HOH 271 595 273 HOH HOH A . I 6 HOH 272 596 274 HOH HOH A . I 6 HOH 273 597 275 HOH HOH A . I 6 HOH 274 598 279 HOH HOH A . I 6 HOH 275 599 280 HOH HOH A . I 6 HOH 276 600 281 HOH HOH A . I 6 HOH 277 601 284 HOH HOH A . I 6 HOH 278 602 286 HOH HOH A . I 6 HOH 279 603 287 HOH HOH A . I 6 HOH 280 604 288 HOH HOH A . I 6 HOH 281 605 289 HOH HOH A . I 6 HOH 282 606 291 HOH HOH A . I 6 HOH 283 607 294 HOH HOH A . I 6 HOH 284 608 295 HOH HOH A . I 6 HOH 285 609 296 HOH HOH A . I 6 HOH 286 610 298 HOH HOH A . I 6 HOH 287 611 299 HOH HOH A . I 6 HOH 288 612 304 HOH HOH A . I 6 HOH 289 613 305 HOH HOH A . I 6 HOH 290 614 306 HOH HOH A . I 6 HOH 291 615 308 HOH HOH A . I 6 HOH 292 616 309 HOH HOH A . I 6 HOH 293 617 312 HOH HOH A . I 6 HOH 294 618 313 HOH HOH A . I 6 HOH 295 619 314 HOH HOH A . I 6 HOH 296 620 316 HOH HOH A . I 6 HOH 297 621 317 HOH HOH A . I 6 HOH 298 622 321 HOH HOH A . I 6 HOH 299 623 322 HOH HOH A . I 6 HOH 300 624 323 HOH HOH A . I 6 HOH 301 625 325 HOH HOH A . J 6 HOH 1 177 177 HOH HOH B . J 6 HOH 2 178 12 HOH HOH B . J 6 HOH 3 179 14 HOH HOH B . J 6 HOH 4 180 30 HOH HOH B . J 6 HOH 5 181 37 HOH HOH B . J 6 HOH 6 182 43 HOH HOH B . J 6 HOH 7 183 48 HOH HOH B . J 6 HOH 8 184 49 HOH HOH B . J 6 HOH 9 185 52 HOH HOH B . J 6 HOH 10 186 100 HOH HOH B . J 6 HOH 11 187 113 HOH HOH B . J 6 HOH 12 188 117 HOH HOH B . J 6 HOH 13 189 189 HOH HOH B . J 6 HOH 14 190 118 HOH HOH B . J 6 HOH 15 191 119 HOH HOH B . J 6 HOH 16 192 192 HOH HOH B . J 6 HOH 17 193 193 HOH HOH B . J 6 HOH 18 194 120 HOH HOH B . J 6 HOH 19 195 122 HOH HOH B . J 6 HOH 20 196 123 HOH HOH B . J 6 HOH 21 197 126 HOH HOH B . J 6 HOH 22 198 128 HOH HOH B . J 6 HOH 23 199 138 HOH HOH B . J 6 HOH 24 200 200 HOH HOH B . J 6 HOH 25 201 144 HOH HOH B . J 6 HOH 26 202 202 HOH HOH B . J 6 HOH 27 203 145 HOH HOH B . J 6 HOH 28 204 204 HOH HOH B . J 6 HOH 29 205 147 HOH HOH B . J 6 HOH 30 206 156 HOH HOH B . J 6 HOH 31 207 158 HOH HOH B . J 6 HOH 32 208 160 HOH HOH B . J 6 HOH 33 209 162 HOH HOH B . J 6 HOH 34 210 170 HOH HOH B . J 6 HOH 35 211 211 HOH HOH B . J 6 HOH 36 212 212 HOH HOH B . J 6 HOH 37 213 173 HOH HOH B . J 6 HOH 38 214 174 HOH HOH B . J 6 HOH 39 215 215 HOH HOH B . J 6 HOH 40 216 175 HOH HOH B . J 6 HOH 41 218 218 HOH HOH B . J 6 HOH 42 224 224 HOH HOH B . J 6 HOH 43 225 225 HOH HOH B . J 6 HOH 44 227 227 HOH HOH B . J 6 HOH 45 233 233 HOH HOH B . J 6 HOH 46 234 234 HOH HOH B . J 6 HOH 47 239 239 HOH HOH B . J 6 HOH 48 247 247 HOH HOH B . J 6 HOH 49 248 248 HOH HOH B . J 6 HOH 50 251 251 HOH HOH B . J 6 HOH 51 252 252 HOH HOH B . J 6 HOH 52 253 253 HOH HOH B . J 6 HOH 53 256 256 HOH HOH B . J 6 HOH 54 257 257 HOH HOH B . J 6 HOH 55 258 258 HOH HOH B . J 6 HOH 56 259 259 HOH HOH B . J 6 HOH 57 260 260 HOH HOH B . J 6 HOH 58 262 262 HOH HOH B . J 6 HOH 59 265 265 HOH HOH B . J 6 HOH 60 271 271 HOH HOH B . J 6 HOH 61 276 276 HOH HOH B . J 6 HOH 62 277 277 HOH HOH B . J 6 HOH 63 278 278 HOH HOH B . J 6 HOH 64 282 282 HOH HOH B . J 6 HOH 65 283 283 HOH HOH B . J 6 HOH 66 285 285 HOH HOH B . J 6 HOH 67 290 290 HOH HOH B . J 6 HOH 68 292 292 HOH HOH B . J 6 HOH 69 293 293 HOH HOH B . J 6 HOH 70 297 297 HOH HOH B . J 6 HOH 71 300 300 HOH HOH B . J 6 HOH 72 301 301 HOH HOH B . J 6 HOH 73 302 302 HOH HOH B . J 6 HOH 74 303 303 HOH HOH B . J 6 HOH 75 307 307 HOH HOH B . J 6 HOH 76 310 310 HOH HOH B . J 6 HOH 77 311 311 HOH HOH B . J 6 HOH 78 315 315 HOH HOH B . J 6 HOH 79 318 318 HOH HOH B . J 6 HOH 80 319 319 HOH HOH B . J 6 HOH 81 320 320 HOH HOH B . J 6 HOH 82 324 324 HOH HOH B . J 6 HOH 83 326 326 HOH HOH B . J 6 HOH 84 327 327 HOH HOH B . J 6 HOH 85 328 328 HOH HOH B . J 6 HOH 86 329 329 HOH HOH B . J 6 HOH 87 330 330 HOH HOH B . J 6 HOH 88 331 331 HOH HOH B . J 6 HOH 89 332 332 HOH HOH B . J 6 HOH 90 336 336 HOH HOH B . J 6 HOH 91 339 339 HOH HOH B . J 6 HOH 92 345 345 HOH HOH B . J 6 HOH 93 348 348 HOH HOH B . J 6 HOH 94 353 353 HOH HOH B . J 6 HOH 95 358 358 HOH HOH B . J 6 HOH 96 359 359 HOH HOH B . J 6 HOH 97 360 360 HOH HOH B . J 6 HOH 98 362 362 HOH HOH B . J 6 HOH 99 363 363 HOH HOH B . J 6 HOH 100 364 364 HOH HOH B . J 6 HOH 101 365 365 HOH HOH B . J 6 HOH 102 366 366 HOH HOH B . J 6 HOH 103 373 373 HOH HOH B . J 6 HOH 104 376 376 HOH HOH B . J 6 HOH 105 383 383 HOH HOH B . J 6 HOH 106 384 384 HOH HOH B . J 6 HOH 107 390 390 HOH HOH B . J 6 HOH 108 392 392 HOH HOH B . J 6 HOH 109 396 396 HOH HOH B . J 6 HOH 110 399 399 HOH HOH B . J 6 HOH 111 405 405 HOH HOH B . J 6 HOH 112 406 406 HOH HOH B . J 6 HOH 113 407 407 HOH HOH B . J 6 HOH 114 408 408 HOH HOH B . J 6 HOH 115 409 409 HOH HOH B . J 6 HOH 116 412 412 HOH HOH B . J 6 HOH 117 423 423 HOH HOH B . J 6 HOH 118 424 424 HOH HOH B . J 6 HOH 119 427 427 HOH HOH B . J 6 HOH 120 428 428 HOH HOH B . J 6 HOH 121 429 429 HOH HOH B . J 6 HOH 122 430 430 HOH HOH B . J 6 HOH 123 431 431 HOH HOH B . J 6 HOH 124 433 433 HOH HOH B . J 6 HOH 125 434 434 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 25 A ASN 33 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 166 A ASN 169 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 154 B ASN 154 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 31720 ? 1 MORE -126 ? 1 'SSA (A^2)' 62620 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_545 -y,x-y-1,z -0.5000000000 -0.8660254038 0.0000000000 35.1695000000 0.8660254038 -0.5000000000 0.0000000000 -60.9153608768 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_655 -x+y+1,-x,z -0.5000000000 0.8660254038 0.0000000000 70.3390000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 B HOH 365 ? J HOH . 2 1 B HOH 434 ? J HOH . # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2011-03-09 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-08 # _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' 'Version format compliance' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _diffrn_reflns.diffrn_id 1 _diffrn_reflns.pdbx_d_res_high 2.100 _diffrn_reflns.pdbx_d_res_low 40.000 _diffrn_reflns.pdbx_number_obs 37509 _diffrn_reflns.pdbx_Rmerge_I_obs 0.084 _diffrn_reflns.pdbx_Rsym_value ? _diffrn_reflns.pdbx_chi_squared 1.06 _diffrn_reflns.av_sigmaI_over_netI 18.35 _diffrn_reflns.pdbx_redundancy 7.80 _diffrn_reflns.pdbx_percent_possible_obs 97.60 _diffrn_reflns.number 290928 _diffrn_reflns.pdbx_observed_criterion ? _diffrn_reflns.limit_h_max ? _diffrn_reflns.limit_h_min ? _diffrn_reflns.limit_k_max ? _diffrn_reflns.limit_k_min ? _diffrn_reflns.limit_l_max ? _diffrn_reflns.limit_l_min ? # loop_ _pdbx_diffrn_reflns_shell.diffrn_id _pdbx_diffrn_reflns_shell.d_res_high _pdbx_diffrn_reflns_shell.d_res_low _pdbx_diffrn_reflns_shell.number_obs _pdbx_diffrn_reflns_shell.rejects _pdbx_diffrn_reflns_shell.Rmerge_I_obs _pdbx_diffrn_reflns_shell.Rsym_value _pdbx_diffrn_reflns_shell.chi_squared _pdbx_diffrn_reflns_shell.redundancy _pdbx_diffrn_reflns_shell.percent_possible_obs 1 4.52 40.00 ? ? 0.050 ? 1.066 11.00 99.70 1 3.59 4.52 ? ? 0.069 ? 1.065 10.40 100.00 1 3.14 3.59 ? ? 0.091 ? 0.988 9.80 100.00 1 2.85 3.14 ? ? 0.136 ? 0.996 9.40 100.00 1 2.65 2.85 ? ? 0.198 ? 1.086 8.80 100.00 1 2.49 2.65 ? ? 0.259 ? 1.006 7.80 100.00 1 2.37 2.49 ? ? 0.321 ? 1.083 6.60 100.00 1 2.26 2.37 ? ? 0.411 ? 1.280 5.40 99.30 1 2.18 2.26 ? ? 0.472 ? 1.093 4.20 95.00 1 2.10 2.18 ? ? 0.514 ? 1.242 3.10 81.80 # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 15.9128 -14.0726 -35.7974 -0.0953 -0.0909 0.0037 0.0075 -0.0235 -0.0197 0.3973 0.1974 1.8641 0.0791 -0.0251 -0.1858 -0.0564 0.0053 0.0511 -0.0585 0.0594 -0.0032 -0.0090 0.0449 -0.0884 'X-RAY DIFFRACTION' 2 ? refined 23.9719 -15.9278 16.5619 -0.0571 0.0425 -0.1003 0.0054 -0.0008 -0.0092 0.1407 0.5602 9.2359 -0.2742 -0.8278 1.2770 -0.0537 -0.0426 0.0963 0.0118 0.0034 0.0439 0.0661 -0.3664 -0.4467 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 1 A 326 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 B 1 B 172 ? . . . . ? # _pdbx_phasing_MR.entry_id 3QQE _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.500 _pdbx_phasing_MR.d_res_low_rotation 33.150 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 33.150 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method mr # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 PHASER 1.3.3 'Fri Oct 20 12:51:01 2006' program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 4 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 5 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 6 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 7 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 8 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OH _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 TYR _pdbx_validate_close_contact.auth_seq_id_1 308 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 618 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.16 # 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 33 ? ? 71.22 48.08 2 1 PHE A 148 ? ? -37.59 126.13 3 1 ASN A 170 ? ? -67.92 88.76 4 1 GLN A 196 ? ? 61.15 -48.06 5 1 THR A 206 ? ? -119.57 -166.41 6 1 TRP A 240 ? ? 71.14 -1.67 7 1 ASN A 250 ? ? 84.55 2.53 8 1 SER A 265 ? ? -146.93 -150.16 9 1 PRO A 324 ? ? -27.35 134.46 10 1 MET B 59 ? ? -106.54 58.21 11 1 THR B 61 ? ? -110.85 61.68 12 1 ARG B 127 ? ? 54.83 -132.16 # 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 ILE 326 ? A ILE 324 2 1 Y 1 A GLU 327 ? A GLU 325 3 1 Y 1 A SER 328 ? A SER 326 4 1 Y 1 A ARG 329 ? A ARG 327 5 1 Y 1 B ILE 173 ? B ILE 173 6 1 Y 1 B LYS 174 ? B LYS 174 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 1,2-ETHANEDIOL EDO 5 'DI(HYDROXYETHYL)ETHER' PEG 6 water HOH #