data_5JQ3 # _entry.id 5JQ3 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5JQ3 WWPDB D_1000221032 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5JQ3 _pdbx_database_status.recvd_initial_deposition_date 2016-05-04 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhao, Y.' 1 'Ren, J.' 2 'Stuart, D.I.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 1476-4687 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 535 _citation.language ? _citation.page_first 168 _citation.page_last 172 _citation.title 'Toremifene interacts with and destabilizes the Ebola virus glycoprotein.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/nature18615 _citation.pdbx_database_id_PubMed 27362232 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhao, Y.' 1 primary 'Ren, J.' 2 primary 'Harlos, K.' 3 primary 'Jones, D.M.' 4 primary 'Zeltina, A.' 5 primary 'Bowden, T.A.' 6 primary 'Padilla-Parra, S.' 7 primary 'Fry, E.E.' 8 primary 'Stuart, D.I.' 9 # _cell.entry_id 5JQ3 _cell.length_a 114.258 _cell.length_b 114.258 _cell.length_c 307.377 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 18 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5JQ3 _symmetry.space_group_name_H-M 'H 3 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 155 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1' 36472.930 1 ? T42A,T42A,T42A ? ? 2 polymer man 'Envelope glycoprotein 2' 18989.391 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 7 ? ? ? ? 4 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 6 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 7 water nat water 18.015 119 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 GP1,2,GP,GP1,2,GP,GP1,2,GP 2 GP1,2,GP # 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 ;ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAEN CYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILP QAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSTHHQDTGEESASSGKLGLITNTIAGVAGLITGGRR TRR(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK) ; ;ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAEN CYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILP QAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSTHHQDTGEESASSGKLGLITNTIAGVAGLITGGRR TRRXXXXXXXXX ; A ? 2 'polypeptide(L)' no no ;EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRT FSILNRKAIDFLLQRWGGTCHILGPDCCIEPHDWTKNITDKIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFL GTHHHHHH ; ;EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRT FSILNRKAIDFLLQRWGGTCHILGPDCCIEPHDWTKNITDKIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFL GTHHHHHH ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 THR n 1 3 GLY n 1 4 ARG n 1 5 SER n 1 6 ILE n 1 7 PRO n 1 8 LEU n 1 9 GLY n 1 10 VAL n 1 11 ILE n 1 12 HIS n 1 13 ASN n 1 14 SER n 1 15 ALA n 1 16 LEU n 1 17 GLN n 1 18 VAL n 1 19 SER n 1 20 ASP n 1 21 VAL n 1 22 ASP n 1 23 LYS n 1 24 LEU n 1 25 VAL n 1 26 CYS n 1 27 ARG n 1 28 ASP n 1 29 LYS n 1 30 LEU n 1 31 SER n 1 32 SER n 1 33 THR n 1 34 ASN n 1 35 GLN n 1 36 LEU n 1 37 ARG n 1 38 SER n 1 39 VAL n 1 40 GLY n 1 41 LEU n 1 42 ASN n 1 43 LEU n 1 44 GLU n 1 45 GLY n 1 46 ASN n 1 47 GLY n 1 48 VAL n 1 49 ALA n 1 50 THR n 1 51 ASP n 1 52 VAL n 1 53 PRO n 1 54 SER n 1 55 ALA n 1 56 THR n 1 57 LYS n 1 58 ARG n 1 59 TRP n 1 60 GLY n 1 61 PHE n 1 62 ARG n 1 63 SER n 1 64 GLY n 1 65 VAL n 1 66 PRO n 1 67 PRO n 1 68 LYS n 1 69 VAL n 1 70 VAL n 1 71 ASN n 1 72 TYR n 1 73 GLU n 1 74 ALA n 1 75 GLY n 1 76 GLU n 1 77 TRP n 1 78 ALA n 1 79 GLU n 1 80 ASN n 1 81 CYS n 1 82 TYR n 1 83 ASN n 1 84 LEU n 1 85 GLU n 1 86 ILE n 1 87 LYS n 1 88 LYS n 1 89 PRO n 1 90 ASP n 1 91 GLY n 1 92 SER n 1 93 GLU n 1 94 CYS n 1 95 LEU n 1 96 PRO n 1 97 ALA n 1 98 ALA n 1 99 PRO n 1 100 ASP n 1 101 GLY n 1 102 ILE n 1 103 ARG n 1 104 GLY n 1 105 PHE n 1 106 PRO n 1 107 ARG n 1 108 CYS n 1 109 ARG n 1 110 TYR n 1 111 VAL n 1 112 HIS n 1 113 LYS n 1 114 VAL n 1 115 SER n 1 116 GLY n 1 117 THR n 1 118 GLY n 1 119 PRO n 1 120 CYS n 1 121 ALA n 1 122 GLY n 1 123 ASP n 1 124 PHE n 1 125 ALA n 1 126 PHE n 1 127 HIS n 1 128 LYS n 1 129 GLU n 1 130 GLY n 1 131 ALA n 1 132 PHE n 1 133 PHE n 1 134 LEU n 1 135 TYR n 1 136 ASP n 1 137 ARG n 1 138 LEU n 1 139 ALA n 1 140 SER n 1 141 THR n 1 142 VAL n 1 143 ILE n 1 144 TYR n 1 145 ARG n 1 146 GLY n 1 147 THR n 1 148 THR n 1 149 PHE n 1 150 ALA n 1 151 GLU n 1 152 GLY n 1 153 VAL n 1 154 VAL n 1 155 ALA n 1 156 PHE n 1 157 LEU n 1 158 ILE n 1 159 LEU n 1 160 PRO n 1 161 GLN n 1 162 ALA n 1 163 LYS n 1 164 LYS n 1 165 ASP n 1 166 PHE n 1 167 PHE n 1 168 SER n 1 169 SER n 1 170 HIS n 1 171 PRO n 1 172 LEU n 1 173 ARG n 1 174 GLU n 1 175 PRO n 1 176 VAL n 1 177 ASN n 1 178 ALA n 1 179 THR n 1 180 GLU n 1 181 ASP n 1 182 PRO n 1 183 SER n 1 184 SER n 1 185 GLY n 1 186 TYR n 1 187 TYR n 1 188 SER n 1 189 THR n 1 190 THR n 1 191 ILE n 1 192 ARG n 1 193 TYR n 1 194 GLN n 1 195 ALA n 1 196 THR n 1 197 GLY n 1 198 PHE n 1 199 GLY n 1 200 THR n 1 201 ASN n 1 202 GLU n 1 203 THR n 1 204 GLU n 1 205 TYR n 1 206 LEU n 1 207 PHE n 1 208 GLU n 1 209 VAL n 1 210 ASP n 1 211 ASN n 1 212 LEU n 1 213 THR n 1 214 TYR n 1 215 VAL n 1 216 GLN n 1 217 LEU n 1 218 GLU n 1 219 SER n 1 220 ARG n 1 221 PHE n 1 222 THR n 1 223 PRO n 1 224 GLN n 1 225 PHE n 1 226 LEU n 1 227 LEU n 1 228 GLN n 1 229 LEU n 1 230 ASN n 1 231 GLU n 1 232 THR n 1 233 ILE n 1 234 TYR n 1 235 THR n 1 236 SER n 1 237 GLY n 1 238 LYS n 1 239 ARG n 1 240 SER n 1 241 ASN n 1 242 THR n 1 243 THR n 1 244 GLY n 1 245 LYS n 1 246 LEU n 1 247 ILE n 1 248 TRP n 1 249 LYS n 1 250 VAL n 1 251 ASN n 1 252 PRO n 1 253 GLU n 1 254 ILE n 1 255 ASP n 1 256 THR n 1 257 THR n 1 258 ILE n 1 259 GLY n 1 260 GLU n 1 261 TRP n 1 262 ALA n 1 263 PHE n 1 264 TRP n 1 265 GLU n 1 266 THR n 1 267 LYS n 1 268 LYS n 1 269 ASN n 1 270 LEU n 1 271 THR n 1 272 ARG n 1 273 LYS n 1 274 ILE n 1 275 ARG n 1 276 SER n 1 277 GLU n 1 278 GLU n 1 279 LEU n 1 280 SER n 1 281 PHE n 1 282 THR n 1 283 VAL n 1 284 VAL n 1 285 SER n 1 286 THR n 1 287 HIS n 1 288 HIS n 1 289 GLN n 1 290 ASP n 1 291 THR n 1 292 GLY n 1 293 GLU n 1 294 GLU n 1 295 SER n 1 296 ALA n 1 297 SER n 1 298 SER n 1 299 GLY n 1 300 LYS n 1 301 LEU n 1 302 GLY n 1 303 LEU n 1 304 ILE n 1 305 THR n 1 306 ASN n 1 307 THR n 1 308 ILE n 1 309 ALA n 1 310 GLY n 1 311 VAL n 1 312 ALA n 1 313 GLY n 1 314 LEU n 1 315 ILE n 1 316 THR n 1 317 GLY n 1 318 GLY n 1 319 ARG n 1 320 ARG n 1 321 THR n 1 322 ARG n 1 323 ARG n 1 324 UNK n 1 325 UNK n 1 326 UNK n 1 327 UNK n 1 328 UNK n 1 329 UNK n 1 330 UNK n 1 331 UNK n 1 332 UNK n 2 1 GLU n 2 2 ALA n 2 3 ILE n 2 4 VAL n 2 5 ASN n 2 6 ALA n 2 7 GLN n 2 8 PRO n 2 9 LYS n 2 10 CYS n 2 11 ASN n 2 12 PRO n 2 13 ASN n 2 14 LEU n 2 15 HIS n 2 16 TYR n 2 17 TRP n 2 18 THR n 2 19 THR n 2 20 GLN n 2 21 ASP n 2 22 GLU n 2 23 GLY n 2 24 ALA n 2 25 ALA n 2 26 ILE n 2 27 GLY n 2 28 LEU n 2 29 ALA n 2 30 TRP n 2 31 ILE n 2 32 PRO n 2 33 TYR n 2 34 PHE n 2 35 GLY n 2 36 PRO n 2 37 ALA n 2 38 ALA n 2 39 GLU n 2 40 GLY n 2 41 ILE n 2 42 TYR n 2 43 ILE n 2 44 GLU n 2 45 GLY n 2 46 LEU n 2 47 MET n 2 48 HIS n 2 49 ASN n 2 50 GLN n 2 51 ASP n 2 52 GLY n 2 53 LEU n 2 54 ILE n 2 55 CYS n 2 56 GLY n 2 57 LEU n 2 58 ARG n 2 59 GLN n 2 60 LEU n 2 61 ALA n 2 62 ASN n 2 63 GLU n 2 64 THR n 2 65 THR n 2 66 GLN n 2 67 ALA n 2 68 LEU n 2 69 GLN n 2 70 LEU n 2 71 PHE n 2 72 LEU n 2 73 ARG n 2 74 ALA n 2 75 THR n 2 76 THR n 2 77 GLU n 2 78 LEU n 2 79 ARG n 2 80 THR n 2 81 PHE n 2 82 SER n 2 83 ILE n 2 84 LEU n 2 85 ASN n 2 86 ARG n 2 87 LYS n 2 88 ALA n 2 89 ILE n 2 90 ASP n 2 91 PHE n 2 92 LEU n 2 93 LEU n 2 94 GLN n 2 95 ARG n 2 96 TRP n 2 97 GLY n 2 98 GLY n 2 99 THR n 2 100 CYS n 2 101 HIS n 2 102 ILE n 2 103 LEU n 2 104 GLY n 2 105 PRO n 2 106 ASP n 2 107 CYS n 2 108 CYS n 2 109 ILE n 2 110 GLU n 2 111 PRO n 2 112 HIS n 2 113 ASP n 2 114 TRP n 2 115 THR n 2 116 LYS n 2 117 ASN n 2 118 ILE n 2 119 THR n 2 120 ASP n 2 121 LYS n 2 122 ILE n 2 123 ASP n 2 124 GLN n 2 125 ILE n 2 126 ILE n 2 127 HIS n 2 128 ASP n 2 129 PHE n 2 130 VAL n 2 131 ASP n 2 132 GLY n 2 133 SER n 2 134 GLY n 2 135 TYR n 2 136 ILE n 2 137 PRO n 2 138 GLU n 2 139 ALA n 2 140 PRO n 2 141 ARG n 2 142 ASP n 2 143 GLY n 2 144 GLN n 2 145 ALA n 2 146 TYR n 2 147 VAL n 2 148 ARG n 2 149 LYS n 2 150 ASP n 2 151 GLY n 2 152 GLU n 2 153 TRP n 2 154 VAL n 2 155 LEU n 2 156 LEU n 2 157 SER n 2 158 THR n 2 159 PHE n 2 160 LEU n 2 161 GLY n 2 162 THR n 2 163 HIS n 2 164 HIS n 2 165 HIS n 2 166 HIS n 2 167 HIS n 2 168 HIS 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 'Biological sequence' 1 285 ? ? GP ? ? ? ? ? ? 'Ebola virus - Mayinga, Zaire, 1976' 128952 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? 1 2 sample 'Biological sequence' 286 323 ? ? GP ? ? ? ? ? ? 'Ebola virus - Mayinga, Zaire, 1976' 128952 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? 1 3 sample 'Biological sequence' 324 332 ? ? GP ? ? ? ? ? ? 'Ebola virus - Mayinga, Zaire, 1976' 128952 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 168 ? ? GP ? ? ? ? ? ? 'Ebola virus - Mayinga, Zaire, 1976' 128952 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP VGP_EBOZM Q05320 ? 1 ;SIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAENCYNL EIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKK DFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRSNTTG KLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVS ; 32 2 UNP VGP_EBOZM Q05320 ? 1 THHQDTGEESASSGKLGLITNTIAGVAGLITGGRRTRR 464 3 PDB 5JQ3 5JQ3 ? 1 ? 324 4 UNP VGP_EBOZM Q05320 ? 2 ;EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRT FSILNRKAIDFLLQRWGGTCHILGPDCCIEPHDWTKNITDKIDQIIHDFVD ; 502 # 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 5JQ3 A 5 ? 285 ? Q05320 32 ? 312 ? 32 431 2 2 5JQ3 A 286 ? 323 ? Q05320 464 ? 501 ? 432 469 3 3 5JQ3 A 324 ? 332 ? 5JQ3 470 ? 478 ? 470 478 4 4 5JQ3 B 1 ? 131 ? Q05320 502 ? 632 ? 502 632 # 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 5JQ3 GLU A 1 ? UNP Q05320 ? ? 'expression tag' 28 1 1 5JQ3 THR A 2 ? UNP Q05320 ? ? 'expression tag' 29 2 1 5JQ3 GLY A 3 ? UNP Q05320 ? ? 'expression tag' 30 3 1 5JQ3 ARG A 4 ? UNP Q05320 ? ? 'expression tag' 31 4 1 5JQ3 ALA A 15 ? UNP Q05320 THR 42 'engineered mutation' 42 5 4 5JQ3 GLY B 132 ? UNP Q05320 ? ? 'expression tag' 633 6 4 5JQ3 SER B 133 ? UNP Q05320 ? ? 'expression tag' 634 7 4 5JQ3 GLY B 134 ? UNP Q05320 ? ? 'expression tag' 635 8 4 5JQ3 TYR B 135 ? UNP Q05320 ? ? 'expression tag' 636 9 4 5JQ3 ILE B 136 ? UNP Q05320 ? ? 'expression tag' 637 10 4 5JQ3 PRO B 137 ? UNP Q05320 ? ? 'expression tag' 638 11 4 5JQ3 GLU B 138 ? UNP Q05320 ? ? 'expression tag' 639 12 4 5JQ3 ALA B 139 ? UNP Q05320 ? ? 'expression tag' 640 13 4 5JQ3 PRO B 140 ? UNP Q05320 ? ? 'expression tag' 641 14 4 5JQ3 ARG B 141 ? UNP Q05320 ? ? 'expression tag' 642 15 4 5JQ3 ASP B 142 ? UNP Q05320 ? ? 'expression tag' 643 16 4 5JQ3 GLY B 143 ? UNP Q05320 ? ? 'expression tag' 644 17 4 5JQ3 GLN B 144 ? UNP Q05320 ? ? 'expression tag' 645 18 4 5JQ3 ALA B 145 ? UNP Q05320 ? ? 'expression tag' 646 19 4 5JQ3 TYR B 146 ? UNP Q05320 ? ? 'expression tag' 647 20 4 5JQ3 VAL B 147 ? UNP Q05320 ? ? 'expression tag' 648 21 4 5JQ3 ARG B 148 ? UNP Q05320 ? ? 'expression tag' 649 22 4 5JQ3 LYS B 149 ? UNP Q05320 ? ? 'expression tag' 650 23 4 5JQ3 ASP B 150 ? UNP Q05320 ? ? 'expression tag' 651 24 4 5JQ3 GLY B 151 ? UNP Q05320 ? ? 'expression tag' 652 25 4 5JQ3 GLU B 152 ? UNP Q05320 ? ? 'expression tag' 653 26 4 5JQ3 TRP B 153 ? UNP Q05320 ? ? 'expression tag' 654 27 4 5JQ3 VAL B 154 ? UNP Q05320 ? ? 'expression tag' 655 28 4 5JQ3 LEU B 155 ? UNP Q05320 ? ? 'expression tag' 656 29 4 5JQ3 LEU B 156 ? UNP Q05320 ? ? 'expression tag' 657 30 4 5JQ3 SER B 157 ? UNP Q05320 ? ? 'expression tag' 658 31 4 5JQ3 THR B 158 ? UNP Q05320 ? ? 'expression tag' 659 32 4 5JQ3 PHE B 159 ? UNP Q05320 ? ? 'expression tag' 660 33 4 5JQ3 LEU B 160 ? UNP Q05320 ? ? 'expression tag' 661 34 4 5JQ3 GLY B 161 ? UNP Q05320 ? ? 'expression tag' 662 35 4 5JQ3 THR B 162 ? UNP Q05320 ? ? 'expression tag' 663 36 4 5JQ3 HIS B 163 ? UNP Q05320 ? ? 'expression tag' 664 37 4 5JQ3 HIS B 164 ? UNP Q05320 ? ? 'expression tag' 665 38 4 5JQ3 HIS B 165 ? UNP Q05320 ? ? 'expression tag' 666 39 4 5JQ3 HIS B 166 ? UNP Q05320 ? ? 'expression tag' 667 40 4 5JQ3 HIS B 167 ? UNP Q05320 ? ? 'expression tag' 668 41 4 5JQ3 HIS B 168 ? UNP Q05320 ? ? 'expression tag' 669 42 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 UNK 'L-peptide linking' . UNKNOWN ? 'C4 H9 N O2' 103.120 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5JQ3 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 4.43 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 72.21 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.2 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '9% (w/v) PEG 6000 and 0.1 M Sodium citrate tribasic dihydrate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS3 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-09-12 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.07193 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'DIAMOND BEAMLINE I03' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.07193 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I03 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 5JQ3 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 94.190 _reflns.d_resolution_high 2.230 _reflns.number_obs 38090 _reflns.number_all ? _reflns.percent_possible_obs 100.0 _reflns.pdbx_Rmerge_I_obs 0.204 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 17.4000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 57.80 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.23 _reflns_shell.d_res_low 2.29 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 1.300 _reflns_shell.pdbx_redundancy 15.40 _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_all ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5JQ3 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 36035 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 94.19 _refine.ls_d_res_high 2.23 _refine.ls_percent_reflns_obs 99.5 _refine.ls_R_factor_obs 0.223 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.222 _refine.ls_R_factor_R_free 0.246 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.900 _refine.ls_number_reflns_R_free 1865 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.942 _refine.correlation_coeff_Fo_to_Fc_free 0.934 _refine.B_iso_mean 72.48 _refine.aniso_B[1][1] 0.27000 _refine.aniso_B[2][2] 0.27000 _refine.aniso_B[3][3] -0.86000 _refine.aniso_B[1][2] 0.13000 _refine.aniso_B[1][3] 0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ;HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS ; _refine.pdbx_starting_model 3CSY _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.193 _refine.pdbx_overall_ESU_R_Free 0.170 _refine.overall_SU_ML 0.156 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 12.888 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3068 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 143 _refine_hist.number_atoms_solvent 119 _refine_hist.number_atoms_total 3330 _refine_hist.d_res_high 2.23 _refine_hist.d_res_low 94.19 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.007 0.019 ? 3297 'X-RAY DIFFRACTION' ? r_bond_other_d 0.002 0.020 ? 3010 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.244 1.989 ? 4494 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.852 3.000 ? 6936 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.028 5.000 ? 387 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.769 24.150 ? 147 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.099 15.000 ? 486 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.657 15.000 ? 17 'X-RAY DIFFRACTION' ? r_chiral_restr 0.065 0.200 ? 520 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.021 ? 3642 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 753 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.257 4.142 ? 1566 'X-RAY DIFFRACTION' ? r_mcbond_other 1.257 4.139 ? 1565 'X-RAY DIFFRACTION' ? r_mcangle_it 2.327 6.188 ? 1947 'X-RAY DIFFRACTION' ? r_mcangle_other 2.326 6.192 ? 1948 'X-RAY DIFFRACTION' ? r_scbond_it 1.585 4.744 ? 1731 'X-RAY DIFFRACTION' ? r_scbond_other 1.585 4.744 ? 1731 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 2.738 7.059 ? 2548 'X-RAY DIFFRACTION' ? r_long_range_B_refined 6.465 35.117 ? 3555 'X-RAY DIFFRACTION' ? r_long_range_B_other 6.465 35.117 ? 3555 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.23 _refine_ls_shell.d_res_low 2.29 _refine_ls_shell.number_reflns_R_work 2569 _refine_ls_shell.R_factor_R_work 0.3900 _refine_ls_shell.percent_reflns_obs 97.63 _refine_ls_shell.R_factor_R_free 0.3750 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 146 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 5JQ3 _struct.title 'Crystal structure of Ebola glycoprotein' _struct.pdbx_descriptor 'Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5JQ3 _struct_keywords.text 'Ebola virus, Filoviridae, envelope glycoprotein, protein inhibitor complex, ibuprofen, toremifene, 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 3 ? G N N 4 ? H N N 4 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 5 ? M N N 6 ? N N N 6 ? O N N 7 ? P N N 7 ? # 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 AA1 SER A 32 ? ASN A 34 ? SER A 59 ASN A 61 5 ? 3 HELX_P HELX_P2 AA2 GLU A 44 ? GLY A 47 ? GLU A 71 GLY A 74 5 ? 4 HELX_P HELX_P3 AA3 ASP A 51 ? LYS A 57 ? ASP A 78 LYS A 84 1 ? 7 HELX_P HELX_P4 AA4 THR A 222 ? GLY A 237 ? THR A 249 GLY A 264 1 ? 16 HELX_P HELX_P5 AA5 ALA B 37 ? GLY B 40 ? ALA B 538 GLY B 541 5 ? 4 HELX_P HELX_P6 AA6 ASN B 49 ? ASP B 51 ? ASN B 550 ASP B 552 5 ? 3 HELX_P HELX_P7 AA7 GLY B 52 ? THR B 75 ? GLY B 553 THR B 576 1 ? 24 HELX_P HELX_P8 AA8 SER B 82 ? GLY B 97 ? SER B 583 GLY B 598 1 ? 16 HELX_P HELX_P9 AA9 PRO B 111 ? ASP B 120 ? PRO B 612 ASP B 621 1 ? 10 HELX_P HELX_P10 AB1 LYS B 121 ? ASP B 123 ? LYS B 622 ASP B 624 5 ? 3 # _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 26 SG ? ? ? 1_555 B CYS 108 SG ? ? A CYS 53 B CYS 609 1_555 ? ? ? ? ? ? ? 2.047 ? disulf2 disulf ? ? A CYS 81 SG ? ? ? 1_555 A CYS 108 SG ? ? A CYS 108 A CYS 135 1_555 ? ? ? ? ? ? ? 2.058 ? disulf3 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 120 SG ? ? A CYS 121 A CYS 147 1_555 ? ? ? ? ? ? ? 2.046 ? disulf4 disulf ? ? B CYS 10 SG ? ? ? 1_555 B CYS 55 SG ? ? B CYS 511 B CYS 556 1_555 ? ? ? ? ? ? ? 2.065 ? disulf5 disulf ? ? B CYS 100 SG ? ? ? 1_555 B CYS 107 SG ? ? B CYS 601 B CYS 608 1_555 ? ? ? ? ? ? ? 2.049 ? covale1 covale one ? A ASN 201 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 228 A NAG 603 1_555 ? ? ? ? ? ? ? 1.452 ? covale2 covale one ? A ASN 211 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 238 A NAG 602 1_555 ? ? ? ? ? ? ? 1.448 ? covale3 covale one ? A ASN 230 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 257 A NAG 601 1_555 ? ? ? ? ? ? ? 1.447 ? covale4 covale one ? A ASN 241 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 268 A NAG 604 1_555 ? ? ? ? ? ? ? 1.444 ? covale5 covale one ? B ASN 62 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 563 B NAG 702 1_555 ? ? ? ? ? ? ? 1.435 ? covale6 covale one ? B ASN 117 ND2 ? ? ? 1_555 I NAG . C1 ? ? B ASN 618 B NAG 701 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale both ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? B NAG 702 B NAG 703 1_555 ? ? ? ? ? ? ? 1.440 ? covale8 covale both ? K NAG . O4 ? ? ? 1_555 L BMA . C1 ? ? B NAG 703 B BMA 704 1_555 ? ? ? ? ? ? ? 1.443 ? covale9 covale one ? L BMA . O3 ? ? ? 1_555 N MAN . C1 ? ? B BMA 704 B MAN 706 1_555 ? ? ? ? ? ? ? 1.445 ? covale10 covale one ? L BMA . O6 ? ? ? 1_555 M MAN . C1 ? ? B BMA 704 B MAN 705 1_555 ? ? ? ? ? ? ? 1.438 ? # 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 AA1 ? 2 ? AA2 ? 6 ? AA3 ? 2 ? AA4 ? 3 ? AA5 ? 8 ? # 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 AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA5 5 6 ? parallel AA5 6 7 ? parallel AA5 7 8 ? 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 AA1 1 GLY A 9 ? HIS A 12 ? GLY A 36 HIS A 39 AA1 2 ALA A 15 ? VAL A 18 ? ALA A 42 VAL A 45 AA2 1 LEU A 36 ? ASN A 42 ? LEU A 63 ASN A 69 AA2 2 ALA A 150 ? ILE A 158 ? ALA A 177 ILE A 185 AA2 3 PHE A 132 ? LEU A 134 ? PHE A 159 LEU A 161 AA2 4 LEU A 138 ? SER A 140 ? LEU A 165 SER A 167 AA2 5 VAL A 69 ? ASN A 71 ? VAL A 96 ASN A 98 AA2 6 ARG B 79 ? THR B 80 ? ARG B 580 THR B 581 AA3 1 TRP A 59 ? ARG A 62 ? TRP A 86 ARG A 89 AA3 2 PHE A 124 ? HIS A 127 ? PHE A 151 HIS A 154 AA4 1 ALA A 74 ? GLU A 76 ? ALA A 101 GLU A 103 AA4 2 LEU B 14 ? THR B 19 ? LEU B 515 THR B 520 AA4 3 TYR B 42 ? MET B 47 ? TYR B 543 MET B 548 AA5 1 ALA A 78 ? LYS A 87 ? ALA A 105 LYS A 114 AA5 2 CYS A 108 ? THR A 117 ? CYS A 135 THR A 144 AA5 3 THR A 189 ? THR A 196 ? THR A 216 THR A 223 AA5 4 GLU A 204 ? ASP A 210 ? GLU A 231 ASP A 237 AA5 5 THR A 213 ? GLN A 216 ? THR A 240 GLN A 243 AA5 6 LEU A 246 ? VAL A 250 ? LEU A 273 VAL A 277 AA5 7 UNK A 326 ? UNK A 331 ? UNK A 472 UNK A 477 AA5 8 SER A 280 ? VAL A 283 ? SER A 306 VAL A 309 # 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 AA1 1 2 N VAL A 10 ? N VAL A 37 O GLN A 17 ? O GLN A 44 AA2 1 2 N LEU A 41 ? N LEU A 68 O VAL A 153 ? O VAL A 180 AA2 2 3 O ALA A 150 ? O ALA A 177 N LEU A 134 ? N LEU A 161 AA2 3 4 N PHE A 133 ? N PHE A 160 O SER A 140 ? O SER A 167 AA2 4 5 O ALA A 139 ? O ALA A 166 N VAL A 70 ? N VAL A 97 AA2 5 6 N VAL A 69 ? N VAL A 96 O THR B 80 ? O THR B 581 AA3 1 2 N GLY A 60 ? N GLY A 87 O PHE A 126 ? O PHE A 153 AA4 1 2 N GLY A 75 ? N GLY A 102 O TRP B 17 ? O TRP B 518 AA4 2 3 N THR B 18 ? N THR B 519 O ILE B 43 ? O ILE B 544 AA5 1 2 N CYS A 81 ? N CYS A 108 O HIS A 112 ? O HIS A 139 AA5 2 3 N VAL A 111 ? N VAL A 138 O ILE A 191 ? O ILE A 218 AA5 3 4 N ARG A 192 ? N ARG A 219 O GLU A 208 ? O GLU A 235 AA5 4 5 N PHE A 207 ? N PHE A 234 O VAL A 215 ? O VAL A 242 AA5 5 6 N TYR A 214 ? N TYR A 241 O LEU A 246 ? O LEU A 273 AA5 6 7 N ILE A 247 ? N ILE A 274 O UNK A 326 ? O UNK A 472 AA5 7 8 O UNK A 331 ? O UNK A 477 N SER A 280 ? N SER A 306 # 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 A GOL 605 ? 5 'binding site for residue GOL A 605' AC2 Software A GOL 606 ? 5 'binding site for residue GOL A 606' AC3 Software A NAG 603 ? 1 'binding site for Mono-Saccharide NAG A 603 bound to ASN A 228' AC4 Software A NAG 602 ? 3 'binding site for Mono-Saccharide NAG A 602 bound to ASN A 238' AC5 Software A NAG 601 ? 4 'binding site for Mono-Saccharide NAG A 601 bound to ASN A 257' AC6 Software A NAG 604 ? 4 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 268' AC7 Software B ASN 563 ? 9 'binding site for Poly-Saccharide residues NAG B 702 through MAN B 706 bound to ASN B 563' AC8 Software B NAG 701 ? 2 'binding site for Mono-Saccharide NAG B 701 bound to ASN B 618' # 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 5 TRP A 77 ? TRP A 104 . ? 1_555 ? 2 AC1 5 GLU A 79 ? GLU A 106 . ? 1_555 ? 3 AC1 5 PHE A 263 ? PHE A 290 . ? 1_555 ? 4 AC1 5 HOH O . ? HOH A 708 . ? 1_555 ? 5 AC1 5 HIS B 15 ? HIS B 516 . ? 1_555 ? 6 AC2 5 GLU A 93 ? GLU A 120 . ? 1_555 ? 7 AC2 5 CYS A 94 ? CYS A 121 . ? 1_555 ? 8 AC2 5 LEU A 95 ? LEU A 122 . ? 1_555 ? 9 AC2 5 PRO A 96 ? PRO A 123 . ? 1_555 ? 10 AC2 5 ASP A 123 ? ASP A 150 . ? 1_555 ? 11 AC3 1 ASN A 201 ? ASN A 228 . ? 1_555 ? 12 AC4 3 ASN A 211 ? ASN A 238 . ? 1_555 ? 13 AC4 3 ASN A 211 ? ASN A 238 . ? 18_444 ? 14 AC4 3 LEU A 212 ? LEU A 239 . ? 18_444 ? 15 AC5 4 THR A 190 ? THR A 217 . ? 1_555 ? 16 AC5 4 LEU A 227 ? LEU A 254 . ? 1_555 ? 17 AC5 4 ASN A 230 ? ASN A 257 . ? 1_555 ? 18 AC5 4 TYR A 234 ? TYR A 261 . ? 1_555 ? 19 AC6 4 THR A 235 ? THR A 262 . ? 18_444 ? 20 AC6 4 GLY A 237 ? GLY A 264 . ? 1_555 ? 21 AC6 4 LYS A 238 ? LYS A 265 . ? 1_555 ? 22 AC6 4 ASN A 241 ? ASN A 268 . ? 1_555 ? 23 AC7 9 GLU A 129 ? GLU A 156 . ? 1_555 ? 24 AC7 9 GLN B 7 ? GLN B 508 . ? 1_555 ? 25 AC7 9 PHE B 34 ? PHE B 535 . ? 3_455 ? 26 AC7 9 ASN B 62 ? ASN B 563 . ? 1_555 ? 27 AC7 9 THR B 65 ? THR B 566 . ? 1_555 ? 28 AC7 9 HOH P . ? HOH B 804 . ? 1_555 ? 29 AC7 9 HOH P . ? HOH B 826 . ? 1_555 ? 30 AC7 9 HOH P . ? HOH B 827 . ? 1_555 ? 31 AC7 9 HOH P . ? HOH B 842 . ? 1_555 ? 32 AC8 2 ASN B 117 ? ASN B 618 . ? 1_555 ? 33 AC8 2 LYS B 121 ? LYS B 622 . ? 1_555 ? # _atom_sites.entry_id 5JQ3 _atom_sites.fract_transf_matrix[1][1] 0.008752 _atom_sites.fract_transf_matrix[1][2] 0.005053 _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] 0.010106 _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] 0.003253 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 5 ? -68.815 17.889 -5.513 1.00 62.66 ? 32 SER A N 1 ATOM 2 C CA . SER A 1 5 ? -67.496 18.588 -5.474 1.00 60.11 ? 32 SER A CA 1 ATOM 3 C C . SER A 1 5 ? -66.438 17.748 -6.205 1.00 55.88 ? 32 SER A C 1 ATOM 4 O O . SER A 1 5 ? -66.568 16.525 -6.297 1.00 55.66 ? 32 SER A O 1 ATOM 5 C CB . SER A 1 5 ? -67.097 18.826 -4.012 1.00 62.12 ? 32 SER A CB 1 ATOM 6 O OG . SER A 1 5 ? -66.167 19.894 -3.875 1.00 63.60 ? 32 SER A OG 1 ATOM 7 N N . ILE A 1 6 ? -65.400 18.404 -6.718 1.00 52.12 ? 33 ILE A N 1 ATOM 8 C CA . ILE A 1 6 ? -64.254 17.701 -7.303 1.00 49.26 ? 33 ILE A CA 1 ATOM 9 C C . ILE A 1 6 ? -63.441 17.048 -6.174 1.00 48.94 ? 33 ILE A C 1 ATOM 10 O O . ILE A 1 6 ? -63.012 17.743 -5.254 1.00 48.29 ? 33 ILE A O 1 ATOM 11 C CB . ILE A 1 6 ? -63.359 18.640 -8.134 1.00 48.14 ? 33 ILE A CB 1 ATOM 12 C CG1 . ILE A 1 6 ? -64.124 19.134 -9.371 1.00 47.47 ? 33 ILE A CG1 1 ATOM 13 C CG2 . ILE A 1 6 ? -62.087 17.919 -8.589 1.00 47.85 ? 33 ILE A CG2 1 ATOM 14 C CD1 . ILE A 1 6 ? -63.433 20.255 -10.116 1.00 46.13 ? 33 ILE A CD1 1 ATOM 15 N N . PRO A 1 7 ? -63.236 15.715 -6.226 1.00 48.14 ? 34 PRO A N 1 ATOM 16 C CA . PRO A 1 7 ? -62.508 15.084 -5.121 1.00 48.91 ? 34 PRO A CA 1 ATOM 17 C C . PRO A 1 7 ? -61.069 15.562 -4.981 1.00 47.84 ? 34 PRO A C 1 ATOM 18 O O . PRO A 1 7 ? -60.437 15.947 -5.970 1.00 47.06 ? 34 PRO A O 1 ATOM 19 C CB . PRO A 1 7 ? -62.527 13.593 -5.478 1.00 49.53 ? 34 PRO A CB 1 ATOM 20 C CG . PRO A 1 7 ? -63.655 13.432 -6.428 1.00 49.23 ? 34 PRO A CG 1 ATOM 21 C CD . PRO A 1 7 ? -63.718 14.715 -7.196 1.00 47.85 ? 34 PRO A CD 1 ATOM 22 N N . LEU A 1 8 ? -60.581 15.525 -3.749 1.00 48.46 ? 35 LEU A N 1 ATOM 23 C CA . LEU A 1 8 ? -59.225 15.900 -3.405 1.00 48.12 ? 35 LEU A CA 1 ATOM 24 C C . LEU A 1 8 ? -58.620 14.776 -2.562 1.00 49.44 ? 35 LEU A C 1 ATOM 25 O O . LEU A 1 8 ? -59.166 14.411 -1.515 1.00 51.23 ? 35 LEU A O 1 ATOM 26 C CB . LEU A 1 8 ? -59.246 17.218 -2.633 1.00 48.51 ? 35 LEU A CB 1 ATOM 27 C CG . LEU A 1 8 ? -57.912 17.862 -2.253 1.00 49.11 ? 35 LEU A CG 1 ATOM 28 C CD1 . LEU A 1 8 ? -57.119 18.256 -3.489 1.00 47.35 ? 35 LEU A CD1 1 ATOM 29 C CD2 . LEU A 1 8 ? -58.162 19.071 -1.364 1.00 50.13 ? 35 LEU A CD2 1 ATOM 30 N N . GLY A 1 9 ? -57.505 14.223 -3.032 1.00 48.71 ? 36 GLY A N 1 ATOM 31 C CA . GLY A 1 9 ? -56.826 13.133 -2.348 1.00 49.98 ? 36 GLY A CA 1 ATOM 32 C C . GLY A 1 9 ? -56.002 13.630 -1.176 1.00 51.75 ? 36 GLY A C 1 ATOM 33 O O . GLY A 1 9 ? -55.322 14.642 -1.286 1.00 51.24 ? 36 GLY A O 1 ATOM 34 N N . VAL A 1 10 ? -56.075 12.919 -0.051 1.00 54.11 ? 37 VAL A N 1 ATOM 35 C CA . VAL A 1 10 ? -55.254 13.206 1.129 1.00 56.42 ? 37 VAL A CA 1 ATOM 36 C C . VAL A 1 10 ? -54.795 11.894 1.762 1.00 58.55 ? 37 VAL A C 1 ATOM 37 O O . VAL A 1 10 ? -55.503 10.886 1.703 1.00 58.73 ? 37 VAL A O 1 ATOM 38 C CB . VAL A 1 10 ? -55.999 14.061 2.194 1.00 57.91 ? 37 VAL A CB 1 ATOM 39 C CG1 . VAL A 1 10 ? -56.418 15.399 1.606 1.00 56.64 ? 37 VAL A CG1 1 ATOM 40 C CG2 . VAL A 1 10 ? -57.217 13.335 2.762 1.00 59.25 ? 37 VAL A CG2 1 ATOM 41 N N . ILE A 1 11 ? -53.613 11.925 2.371 1.00 60.21 ? 38 ILE A N 1 ATOM 42 C CA . ILE A 1 11 ? -53.060 10.758 3.040 1.00 63.49 ? 38 ILE A CA 1 ATOM 43 C C . ILE A 1 11 ? -53.387 10.829 4.540 1.00 66.41 ? 38 ILE A C 1 ATOM 44 O O . ILE A 1 11 ? -52.968 11.762 5.218 1.00 67.18 ? 38 ILE A O 1 ATOM 45 C CB . ILE A 1 11 ? -51.536 10.646 2.793 1.00 63.98 ? 38 ILE A CB 1 ATOM 46 C CG1 . ILE A 1 11 ? -51.274 10.408 1.298 1.00 61.87 ? 38 ILE A CG1 1 ATOM 47 C CG2 . ILE A 1 11 ? -50.931 9.517 3.631 1.00 67.01 ? 38 ILE A CG2 1 ATOM 48 C CD1 . ILE A 1 11 ? -49.844 10.644 0.862 1.00 62.04 ? 38 ILE A CD1 1 ATOM 49 N N . HIS A 1 12 ? -54.165 9.857 5.029 1.00 68.64 ? 39 HIS A N 1 ATOM 50 C CA . HIS A 1 12 ? -54.386 9.644 6.469 1.00 72.30 ? 39 HIS A CA 1 ATOM 51 C C . HIS A 1 12 ? -54.160 8.177 6.791 1.00 73.88 ? 39 HIS A C 1 ATOM 52 O O . HIS A 1 12 ? -54.471 7.310 5.960 1.00 72.26 ? 39 HIS A O 1 ATOM 53 C CB . HIS A 1 12 ? -55.809 10.014 6.883 1.00 73.76 ? 39 HIS A CB 1 ATOM 54 C CG . HIS A 1 12 ? -56.100 11.479 6.810 1.00 74.06 ? 39 HIS A CG 1 ATOM 55 N ND1 . HIS A 1 12 ? -57.110 12.000 6.027 1.00 72.91 ? 39 HIS A ND1 1 ATOM 56 C CD2 . HIS A 1 12 ? -55.511 12.536 7.419 1.00 75.65 ? 39 HIS A CD2 1 ATOM 57 C CE1 . HIS A 1 12 ? -57.131 13.316 6.157 1.00 72.15 ? 39 HIS A CE1 1 ATOM 58 N NE2 . HIS A 1 12 ? -56.166 13.667 6.990 1.00 74.02 ? 39 HIS A NE2 1 ATOM 59 N N . ASN A 1 13 ? -53.634 7.911 7.992 1.00 76.72 ? 40 ASN A N 1 ATOM 60 C CA . ASN A 1 13 ? -53.386 6.546 8.474 1.00 79.34 ? 40 ASN A CA 1 ATOM 61 C C . ASN A 1 13 ? -52.727 5.667 7.376 1.00 77.94 ? 40 ASN A C 1 ATOM 62 O O . ASN A 1 13 ? -53.256 4.563 6.960 1.00 78.60 ? 40 ASN A O 1 ATOM 63 C CB . ASN A 1 13 ? -54.698 5.917 8.963 1.00 81.10 ? 40 ASN A CB 1 ATOM 64 C CG . ASN A 1 13 ? -55.302 6.644 10.160 1.00 83.33 ? 40 ASN A CG 1 ATOM 65 O OD1 . ASN A 1 13 ? -54.596 7.097 11.065 1.00 85.35 ? 40 ASN A OD1 1 ATOM 66 N ND2 . ASN A 1 13 ? -56.625 6.730 10.182 1.00 83.51 ? 40 ASN A ND2 1 ATOM 67 N N . SER A 1 14 ? -51.599 6.196 6.854 1.00 76.12 ? 41 SER A N 1 ATOM 68 C CA . SER A 1 14 ? -50.825 5.519 5.812 1.00 75.18 ? 41 SER A CA 1 ATOM 69 C C . SER A 1 14 ? -51.668 5.078 4.603 1.00 73.15 ? 41 SER A C 1 ATOM 70 O O . SER A 1 14 ? -51.416 4.024 4.018 1.00 74.18 ? 41 SER A O 1 ATOM 71 C CB . SER A 1 14 ? -50.065 4.327 6.403 1.00 78.12 ? 41 SER A CB 1 ATOM 72 O OG . SER A 1 14 ? -49.054 4.766 7.285 1.00 80.37 ? 41 SER A OG 1 ATOM 73 N N . ALA A 1 15 ? -52.665 5.878 4.229 1.00 70.83 ? 42 ALA A N 1 ATOM 74 C CA . ALA A 1 15 ? -53.557 5.511 3.124 1.00 69.04 ? 42 ALA A CA 1 ATOM 75 C C . ALA A 1 15 ? -54.205 6.714 2.424 1.00 66.44 ? 42 ALA A C 1 ATOM 76 O O . ALA A 1 15 ? -54.704 7.647 3.059 1.00 66.05 ? 42 ALA A O 1 ATOM 77 C CB . ALA A 1 15 ? -54.629 4.548 3.611 1.00 70.91 ? 42 ALA A CB 1 ATOM 78 N N . LEU A 1 16 ? -54.210 6.671 1.099 1.00 65.07 ? 43 LEU A N 1 ATOM 79 C CA . LEU A 1 16 ? -54.835 7.719 0.309 1.00 63.55 ? 43 LEU A CA 1 ATOM 80 C C . LEU A 1 16 ? -56.360 7.610 0.354 1.00 64.79 ? 43 LEU A C 1 ATOM 81 O O . LEU A 1 16 ? -56.933 6.515 0.139 1.00 65.76 ? 43 LEU A O 1 ATOM 82 C CB . LEU A 1 16 ? -54.376 7.631 -1.137 1.00 61.12 ? 43 LEU A CB 1 ATOM 83 C CG . LEU A 1 16 ? -54.827 8.786 -2.023 1.00 58.35 ? 43 LEU A CG 1 ATOM 84 C CD1 . LEU A 1 16 ? -54.107 10.072 -1.640 1.00 58.09 ? 43 LEU A CD1 1 ATOM 85 C CD2 . LEU A 1 16 ? -54.587 8.415 -3.473 1.00 56.27 ? 43 LEU A CD2 1 ATOM 86 N N . GLN A 1 17 ? -57.003 8.746 0.672 1.00 65.93 ? 44 GLN A N 1 ATOM 87 C CA . GLN A 1 17 ? -58.464 8.853 0.730 1.00 67.38 ? 44 GLN A CA 1 ATOM 88 C C . GLN A 1 17 ? -58.947 10.150 0.083 1.00 66.39 ? 44 GLN A C 1 ATOM 89 O O . GLN A 1 17 ? -58.173 11.087 -0.093 1.00 64.84 ? 44 GLN A O 1 ATOM 90 C CB . GLN A 1 17 ? -58.987 8.708 2.172 1.00 70.18 ? 44 GLN A CB 1 ATOM 91 C CG . GLN A 1 17 ? -58.057 9.162 3.286 1.00 71.98 ? 44 GLN A CG 1 ATOM 92 C CD . GLN A 1 17 ? -58.409 8.510 4.612 1.00 75.86 ? 44 GLN A CD 1 ATOM 93 O OE1 . GLN A 1 17 ? -58.978 9.150 5.501 1.00 77.39 ? 44 GLN A OE1 1 ATOM 94 N NE2 . GLN A 1 17 ? -58.078 7.224 4.748 1.00 77.49 ? 44 GLN A NE2 1 ATOM 95 N N . VAL A 1 18 ? -60.224 10.171 -0.298 1.00 68.12 ? 45 VAL A N 1 ATOM 96 C CA . VAL A 1 18 ? -60.890 11.393 -0.732 1.00 68.86 ? 45 VAL A CA 1 ATOM 97 C C . VAL A 1 18 ? -61.176 12.241 0.498 1.00 72.04 ? 45 VAL A C 1 ATOM 98 O O . VAL A 1 18 ? -61.666 11.726 1.499 1.00 73.55 ? 45 VAL A O 1 ATOM 99 C CB . VAL A 1 18 ? -62.229 11.107 -1.454 1.00 69.08 ? 45 VAL A CB 1 ATOM 100 C CG1 . VAL A 1 18 ? -62.967 12.410 -1.786 1.00 68.37 ? 45 VAL A CG1 1 ATOM 101 C CG2 . VAL A 1 18 ? -61.995 10.275 -2.706 1.00 67.88 ? 45 VAL A CG2 1 ATOM 102 N N . SER A 1 19 ? -60.886 13.538 0.400 1.00 74.45 ? 46 SER A N 1 ATOM 103 C CA . SER A 1 19 ? -61.137 14.496 1.481 1.00 78.92 ? 46 SER A CA 1 ATOM 104 C C . SER A 1 19 ? -62.639 14.708 1.652 1.00 81.68 ? 46 SER A C 1 ATOM 105 O O . SER A 1 19 ? -63.342 14.953 0.669 1.00 80.40 ? 46 SER A O 1 ATOM 106 C CB . SER A 1 19 ? -60.461 15.838 1.166 1.00 78.13 ? 46 SER A CB 1 ATOM 107 O OG . SER A 1 19 ? -60.668 16.784 2.204 1.00 80.72 ? 46 SER A OG 1 ATOM 108 N N . ASP A 1 20 ? -63.119 14.614 2.892 1.00 87.31 ? 47 ASP A N 1 ATOM 109 C CA . ASP A 1 20 ? -64.544 14.797 3.194 1.00 91.76 ? 47 ASP A CA 1 ATOM 110 C C . ASP A 1 20 ? -64.860 16.286 3.386 1.00 92.73 ? 47 ASP A C 1 ATOM 111 O O . ASP A 1 20 ? -64.328 16.935 4.298 1.00 93.02 ? 47 ASP A O 1 ATOM 112 C CB . ASP A 1 20 ? -64.947 13.992 4.444 1.00 96.23 ? 47 ASP A CB 1 ATOM 113 C CG . ASP A 1 20 ? -66.468 13.840 4.597 1.00 98.92 ? 47 ASP A CG 1 ATOM 114 O OD1 . ASP A 1 20 ? -66.918 13.485 5.707 1.00 102.67 ? 47 ASP A OD1 1 ATOM 115 O OD2 . ASP A 1 20 ? -67.221 14.060 3.621 1.00 98.32 ? 47 ASP A OD2 1 ATOM 116 N N . VAL A 1 21 ? -65.745 16.805 2.533 1.00 93.57 ? 48 VAL A N 1 ATOM 117 C CA . VAL A 1 21 ? -66.072 18.241 2.489 1.00 94.26 ? 48 VAL A CA 1 ATOM 118 C C . VAL A 1 21 ? -66.959 18.672 3.677 1.00 97.59 ? 48 VAL A C 1 ATOM 119 O O . VAL A 1 21 ? -66.909 19.832 4.088 1.00 97.43 ? 48 VAL A O 1 ATOM 120 C CB . VAL A 1 21 ? -66.732 18.633 1.136 1.00 92.31 ? 48 VAL A CB 1 ATOM 121 C CG1 . VAL A 1 21 ? -66.954 20.142 1.048 1.00 91.99 ? 48 VAL A CG1 1 ATOM 122 C CG2 . VAL A 1 21 ? -65.880 18.154 -0.038 1.00 90.06 ? 48 VAL A CG2 1 ATOM 123 N N . ASP A 1 22 ? -67.758 17.742 4.214 1.00 101.31 ? 49 ASP A N 1 ATOM 124 C CA . ASP A 1 22 ? -68.573 17.974 5.427 1.00 105.34 ? 49 ASP A CA 1 ATOM 125 C C . ASP A 1 22 ? -67.717 18.158 6.685 1.00 106.48 ? 49 ASP A C 1 ATOM 126 O O . ASP A 1 22 ? -67.976 19.055 7.493 1.00 107.49 ? 49 ASP A O 1 ATOM 127 C CB . ASP A 1 22 ? -69.548 16.804 5.675 1.00 108.96 ? 49 ASP A CB 1 ATOM 128 C CG . ASP A 1 22 ? -70.638 16.685 4.608 1.00 109.13 ? 49 ASP A CG 1 ATOM 129 O OD1 . ASP A 1 22 ? -70.643 17.471 3.632 1.00 107.18 ? 49 ASP A OD1 1 ATOM 130 O OD2 . ASP A 1 22 ? -71.498 15.788 4.755 1.00 111.57 ? 49 ASP A OD2 1 ATOM 131 N N . LYS A 1 23 ? -66.715 17.291 6.847 1.00 106.07 ? 50 LYS A N 1 ATOM 132 C CA . LYS A 1 23 ? -65.815 17.324 8.005 1.00 106.52 ? 50 LYS A CA 1 ATOM 133 C C . LYS A 1 23 ? -64.789 18.443 7.877 1.00 103.29 ? 50 LYS A C 1 ATOM 134 O O . LYS A 1 23 ? -64.539 18.953 6.783 1.00 102.46 ? 50 LYS A O 1 ATOM 135 C CB . LYS A 1 23 ? -65.060 15.998 8.157 1.00 107.48 ? 50 LYS A CB 1 ATOM 136 C CG . LYS A 1 23 ? -65.933 14.769 8.350 1.00 109.71 ? 50 LYS A CG 1 ATOM 137 C CD . LYS A 1 23 ? -66.364 14.569 9.790 1.00 113.66 ? 50 LYS A CD 1 ATOM 138 C CE . LYS A 1 23 ? -67.102 13.249 9.940 1.00 115.90 ? 50 LYS A CE 1 ATOM 139 N NZ . LYS A 1 23 ? -67.624 13.059 11.322 1.00 120.14 ? 50 LYS A NZ 1 ATOM 140 N N . LEU A 1 24 ? -64.194 18.795 9.013 1.00 102.94 ? 51 LEU A N 1 ATOM 141 C CA . LEU A 1 24 ? -63.065 19.714 9.080 1.00 100.16 ? 51 LEU A CA 1 ATOM 142 C C . LEU A 1 24 ? -62.018 19.093 9.999 1.00 100.83 ? 51 LEU A C 1 ATOM 143 O O . LEU A 1 24 ? -62.262 18.944 11.200 1.00 103.07 ? 51 LEU A O 1 ATOM 144 C CB . LEU A 1 24 ? -63.518 21.078 9.621 1.00 100.50 ? 51 LEU A CB 1 ATOM 145 C CG . LEU A 1 24 ? -62.452 22.125 9.980 1.00 99.75 ? 51 LEU A CG 1 ATOM 146 C CD1 . LEU A 1 24 ? -61.402 22.252 8.884 1.00 96.71 ? 51 LEU A CD1 1 ATOM 147 C CD2 . LEU A 1 24 ? -63.100 23.475 10.259 1.00 100.23 ? 51 LEU A CD2 1 ATOM 148 N N . VAL A 1 25 ? -60.868 18.727 9.431 1.00 97.90 ? 52 VAL A N 1 ATOM 149 C CA . VAL A 1 25 ? -59.752 18.177 10.206 1.00 99.01 ? 52 VAL A CA 1 ATOM 150 C C . VAL A 1 25 ? -58.732 19.302 10.417 1.00 97.42 ? 52 VAL A C 1 ATOM 151 O O . VAL A 1 25 ? -58.029 19.686 9.484 1.00 96.10 ? 52 VAL A O 1 ATOM 152 C CB . VAL A 1 25 ? -59.081 16.967 9.497 1.00 98.60 ? 52 VAL A CB 1 ATOM 153 C CG1 . VAL A 1 25 ? -58.276 16.147 10.503 1.00 101.00 ? 52 VAL A CG1 1 ATOM 154 C CG2 . VAL A 1 25 ? -60.113 16.087 8.790 1.00 97.24 ? 52 VAL A CG2 1 ATOM 155 N N . CYS A 1 26 ? -58.671 19.842 11.634 1.00 98.34 ? 53 CYS A N 1 ATOM 156 C CA . CYS A 1 26 ? -57.727 20.926 11.965 1.00 98.45 ? 53 CYS A CA 1 ATOM 157 C C . CYS A 1 26 ? -56.249 20.501 11.950 1.00 98.87 ? 53 CYS A C 1 ATOM 158 O O . CYS A 1 26 ? -55.367 21.361 11.885 1.00 97.98 ? 53 CYS A O 1 ATOM 159 C CB . CYS A 1 26 ? -58.058 21.558 13.329 1.00 101.33 ? 53 CYS A CB 1 ATOM 160 S SG . CYS A 1 26 ? -59.505 22.652 13.355 1.00 101.28 ? 53 CYS A SG 1 ATOM 161 N N . ARG A 1 27 ? -55.983 19.194 12.036 1.00 100.21 ? 54 ARG A N 1 ATOM 162 C CA . ARG A 1 27 ? -54.614 18.667 11.968 1.00 100.43 ? 54 ARG A CA 1 ATOM 163 C C . ARG A 1 27 ? -54.072 18.628 10.540 1.00 94.63 ? 54 ARG A C 1 ATOM 164 O O . ARG A 1 27 ? -52.856 18.613 10.352 1.00 93.80 ? 54 ARG A O 1 ATOM 165 C CB . ARG A 1 27 ? -54.518 17.275 12.613 1.00 104.47 ? 54 ARG A CB 1 ATOM 166 C CG . ARG A 1 27 ? -53.107 16.917 13.068 1.00 107.90 ? 54 ARG A CG 1 ATOM 167 C CD . ARG A 1 27 ? -53.051 15.636 13.891 1.00 111.75 ? 54 ARG A CD 1 ATOM 168 N NE . ARG A 1 27 ? -52.978 14.434 13.053 1.00 111.05 ? 54 ARG A NE 1 ATOM 169 C CZ . ARG A 1 27 ? -52.793 13.191 13.508 1.00 113.43 ? 54 ARG A CZ 1 ATOM 170 N NH1 . ARG A 1 27 ? -52.742 12.177 12.644 1.00 111.86 ? 54 ARG A NH1 1 ATOM 171 N NH2 . ARG A 1 27 ? -52.659 12.945 14.815 1.00 117.16 ? 54 ARG A NH2 1 ATOM 172 N N . ASP A 1 28 ? -54.959 18.591 9.542 1.00 90.52 ? 55 ASP A N 1 ATOM 173 C CA . ASP A 1 28 ? -54.551 18.780 8.145 1.00 86.38 ? 55 ASP A CA 1 ATOM 174 C C . ASP A 1 28 ? -53.903 20.152 8.001 1.00 83.87 ? 55 ASP A C 1 ATOM 175 O O . ASP A 1 28 ? -54.432 21.147 8.509 1.00 84.01 ? 55 ASP A O 1 ATOM 176 C CB . ASP A 1 28 ? -55.735 18.665 7.174 1.00 84.69 ? 55 ASP A CB 1 ATOM 177 C CG . ASP A 1 28 ? -56.200 17.232 6.976 1.00 85.69 ? 55 ASP A CG 1 ATOM 178 O OD1 . ASP A 1 28 ? -56.083 16.423 7.923 1.00 89.66 ? 55 ASP A OD1 1 ATOM 179 O OD2 . ASP A 1 28 ? -56.688 16.912 5.871 1.00 83.20 ? 55 ASP A OD2 1 ATOM 180 N N . LYS A 1 29 ? -52.751 20.188 7.335 1.00 80.75 ? 56 LYS A N 1 ATOM 181 C CA . LYS A 1 29 ? -51.983 21.412 7.181 1.00 79.51 ? 56 LYS A CA 1 ATOM 182 C C . LYS A 1 29 ? -51.713 21.681 5.702 1.00 74.64 ? 56 LYS A C 1 ATOM 183 O O . LYS A 1 29 ? -51.177 20.826 4.995 1.00 74.43 ? 56 LYS A O 1 ATOM 184 C CB . LYS A 1 29 ? -50.678 21.314 7.972 1.00 82.97 ? 56 LYS A CB 1 ATOM 185 C CG . LYS A 1 29 ? -50.021 22.661 8.245 1.00 85.04 ? 56 LYS A CG 1 ATOM 186 C CD . LYS A 1 29 ? -48.905 22.549 9.271 1.00 88.61 ? 56 LYS A CD 1 ATOM 187 C CE . LYS A 1 29 ? -49.440 22.608 10.690 1.00 92.10 ? 56 LYS A CE 1 ATOM 188 N NZ . LYS A 1 29 ? -48.455 22.072 11.670 1.00 95.71 ? 56 LYS A NZ 1 ATOM 189 N N . LEU A 1 30 ? -52.131 22.859 5.243 1.00 71.11 ? 57 LEU A N 1 ATOM 190 C CA . LEU A 1 30 ? -51.827 23.362 3.905 1.00 66.82 ? 57 LEU A CA 1 ATOM 191 C C . LEU A 1 30 ? -51.078 24.688 4.071 1.00 66.98 ? 57 LEU A C 1 ATOM 192 O O . LEU A 1 30 ? -51.694 25.743 4.209 1.00 67.04 ? 57 LEU A O 1 ATOM 193 C CB . LEU A 1 30 ? -53.124 23.560 3.114 1.00 64.27 ? 57 LEU A CB 1 ATOM 194 C CG . LEU A 1 30 ? -53.014 24.088 1.684 1.00 61.78 ? 57 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 30 ? -52.198 23.133 0.838 1.00 60.70 ? 57 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 30 ? -54.389 24.283 1.067 1.00 60.18 ? 57 LEU A CD2 1 ATOM 197 N N . SER A 1 31 ? -49.749 24.627 4.086 1.00 66.66 ? 58 SER A N 1 ATOM 198 C CA . SER A 1 31 ? -48.927 25.812 4.323 1.00 67.65 ? 58 SER A CA 1 ATOM 199 C C . SER A 1 31 ? -48.450 26.496 3.038 1.00 65.14 ? 58 SER A C 1 ATOM 200 O O . SER A 1 31 ? -47.788 27.524 3.100 1.00 65.54 ? 58 SER A O 1 ATOM 201 C CB . SER A 1 31 ? -47.741 25.458 5.230 1.00 70.65 ? 58 SER A CB 1 ATOM 202 O OG . SER A 1 31 ? -46.929 24.467 4.636 1.00 70.89 ? 58 SER A OG 1 ATOM 203 N N . SER A 1 32 ? -48.814 25.954 1.879 1.00 63.12 ? 59 SER A N 1 ATOM 204 C CA . SER A 1 32 ? -48.409 26.528 0.600 1.00 61.73 ? 59 SER A CA 1 ATOM 205 C C . SER A 1 32 ? -49.211 25.921 -0.540 1.00 59.21 ? 59 SER A C 1 ATOM 206 O O . SER A 1 32 ? -49.655 24.779 -0.449 1.00 58.42 ? 59 SER A O 1 ATOM 207 C CB . SER A 1 32 ? -46.902 26.303 0.403 1.00 63.17 ? 59 SER A CB 1 ATOM 208 O OG . SER A 1 32 ? -46.553 26.146 -0.950 1.00 62.42 ? 59 SER A OG 1 ATOM 209 N N . THR A 1 33 ? -49.385 26.687 -1.617 1.00 58.18 ? 60 THR A N 1 ATOM 210 C CA . THR A 1 33 ? -49.982 26.167 -2.845 1.00 56.80 ? 60 THR A CA 1 ATOM 211 C C . THR A 1 33 ? -49.124 25.082 -3.517 1.00 56.63 ? 60 THR A C 1 ATOM 212 O O . THR A 1 33 ? -49.634 24.348 -4.359 1.00 54.21 ? 60 THR A O 1 ATOM 213 C CB . THR A 1 33 ? -50.296 27.279 -3.875 1.00 55.97 ? 60 THR A CB 1 ATOM 214 O OG1 . THR A 1 33 ? -49.146 28.110 -4.073 1.00 58.49 ? 60 THR A OG1 1 ATOM 215 C CG2 . THR A 1 33 ? -51.453 28.130 -3.406 1.00 56.14 ? 60 THR A CG2 1 ATOM 216 N N . ASN A 1 34 ? -47.844 24.983 -3.144 1.00 59.71 ? 61 ASN A N 1 ATOM 217 C CA . ASN A 1 34 ? -46.973 23.873 -3.580 1.00 60.52 ? 61 ASN A CA 1 ATOM 218 C C . ASN A 1 34 ? -47.408 22.504 -3.081 1.00 59.29 ? 61 ASN A C 1 ATOM 219 O O . ASN A 1 34 ? -47.085 21.506 -3.707 1.00 59.54 ? 61 ASN A O 1 ATOM 220 C CB . ASN A 1 34 ? -45.515 24.091 -3.139 1.00 64.03 ? 61 ASN A CB 1 ATOM 221 C CG . ASN A 1 34 ? -44.843 25.244 -3.863 1.00 65.72 ? 61 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 34 ? -45.113 25.507 -5.038 1.00 65.03 ? 61 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 34 ? -43.946 25.931 -3.164 1.00 69.31 ? 61 ASN A ND2 1 ATOM 224 N N . GLN A 1 35 ? -48.111 22.449 -1.954 1.00 58.90 ? 62 GLN A N 1 ATOM 225 C CA . GLN A 1 35 ? -48.649 21.183 -1.446 1.00 58.24 ? 62 GLN A CA 1 ATOM 226 C C . GLN A 1 35 ? -49.823 20.652 -2.276 1.00 55.50 ? 62 GLN A C 1 ATOM 227 O O . GLN A 1 35 ? -50.206 19.495 -2.110 1.00 54.82 ? 62 GLN A O 1 ATOM 228 C CB . GLN A 1 35 ? -49.080 21.315 0.019 1.00 59.80 ? 62 GLN A CB 1 ATOM 229 C CG . GLN A 1 35 ? -47.942 21.508 1.001 1.00 62.41 ? 62 GLN A CG 1 ATOM 230 C CD . GLN A 1 35 ? -48.426 21.581 2.439 1.00 64.63 ? 62 GLN A CD 1 ATOM 231 O OE1 . GLN A 1 35 ? -48.144 22.547 3.153 1.00 66.41 ? 62 GLN A OE1 1 ATOM 232 N NE2 . GLN A 1 35 ? -49.172 20.568 2.868 1.00 64.67 ? 62 GLN A NE2 1 ATOM 233 N N . LEU A 1 36 ? -50.404 21.495 -3.133 1.00 53.64 ? 63 LEU A N 1 ATOM 234 C CA . LEU A 1 36 ? -51.475 21.088 -4.026 1.00 52.03 ? 63 LEU A CA 1 ATOM 235 C C . LEU A 1 36 ? -50.895 20.637 -5.360 1.00 51.33 ? 63 LEU A C 1 ATOM 236 O O . LEU A 1 36 ? -50.076 21.340 -5.940 1.00 51.48 ? 63 LEU A O 1 ATOM 237 C CB . LEU A 1 36 ? -52.464 22.234 -4.228 1.00 51.24 ? 63 LEU A CB 1 ATOM 238 C CG . LEU A 1 36 ? -53.180 22.657 -2.943 1.00 52.44 ? 63 LEU A CG 1 ATOM 239 C CD1 . LEU A 1 36 ? -53.882 23.993 -3.093 1.00 51.97 ? 63 LEU A CD1 1 ATOM 240 C CD2 . LEU A 1 36 ? -54.168 21.592 -2.494 1.00 52.62 ? 63 LEU A CD2 1 ATOM 241 N N . ARG A 1 37 ? -51.312 19.458 -5.823 1.00 51.29 ? 64 ARG A N 1 ATOM 242 C CA . ARG A 1 37 ? -50.832 18.884 -7.077 1.00 51.75 ? 64 ARG A CA 1 ATOM 243 C C . ARG A 1 37 ? -51.952 18.293 -7.907 1.00 48.63 ? 64 ARG A C 1 ATOM 244 O O . ARG A 1 37 ? -52.853 17.654 -7.372 1.00 48.40 ? 64 ARG A O 1 ATOM 245 C CB . ARG A 1 37 ? -49.809 17.787 -6.809 1.00 55.26 ? 64 ARG A CB 1 ATOM 246 C CG . ARG A 1 37 ? -48.448 18.315 -6.407 1.00 60.17 ? 64 ARG A CG 1 ATOM 247 C CD . ARG A 1 37 ? -47.649 18.871 -7.588 1.00 62.16 ? 64 ARG A CD 1 ATOM 248 N NE . ARG A 1 37 ? -46.935 20.092 -7.206 1.00 65.50 ? 64 ARG A NE 1 ATOM 249 C CZ . ARG A 1 37 ? -45.898 20.151 -6.367 1.00 69.44 ? 64 ARG A CZ 1 ATOM 250 N NH1 . ARG A 1 37 ? -45.411 19.053 -5.782 1.00 72.01 ? 64 ARG A NH1 1 ATOM 251 N NH2 . ARG A 1 37 ? -45.340 21.333 -6.096 1.00 71.70 ? 64 ARG A NH2 1 ATOM 252 N N . SER A 1 38 ? -51.872 18.522 -9.213 1.00 46.07 ? 65 SER A N 1 ATOM 253 C CA . SER A 1 38 ? -52.701 17.848 -10.203 1.00 45.15 ? 65 SER A CA 1 ATOM 254 C C . SER A 1 38 ? -51.798 16.888 -10.976 1.00 45.03 ? 65 SER A C 1 ATOM 255 O O . SER A 1 38 ? -50.673 17.239 -11.342 1.00 44.57 ? 65 SER A O 1 ATOM 256 C CB . SER A 1 38 ? -53.359 18.851 -11.154 1.00 43.84 ? 65 SER A CB 1 ATOM 257 O OG . SER A 1 38 ? -52.402 19.761 -11.670 1.00 44.04 ? 65 SER A OG 1 ATOM 258 N N . VAL A 1 39 ? -52.298 15.677 -11.202 1.00 44.66 ? 66 VAL A N 1 ATOM 259 C CA . VAL A 1 39 ? -51.515 14.599 -11.789 1.00 45.26 ? 66 VAL A CA 1 ATOM 260 C C . VAL A 1 39 ? -52.334 13.904 -12.864 1.00 43.54 ? 66 VAL A C 1 ATOM 261 O O . VAL A 1 39 ? -53.501 13.610 -12.645 1.00 42.65 ? 66 VAL A O 1 ATOM 262 C CB . VAL A 1 39 ? -51.128 13.544 -10.734 1.00 47.68 ? 66 VAL A CB 1 ATOM 263 C CG1 . VAL A 1 39 ? -50.147 12.537 -11.320 1.00 48.99 ? 66 VAL A CG1 1 ATOM 264 C CG2 . VAL A 1 39 ? -50.517 14.206 -9.515 1.00 49.62 ? 66 VAL A CG2 1 ATOM 265 N N . GLY A 1 40 ? -51.710 13.635 -14.009 1.00 42.45 ? 67 GLY A N 1 ATOM 266 C CA . GLY A 1 40 ? -52.341 12.868 -15.086 1.00 41.62 ? 67 GLY A CA 1 ATOM 267 C C . GLY A 1 40 ? -51.891 11.427 -15.005 1.00 42.43 ? 67 GLY A C 1 ATOM 268 O O . GLY A 1 40 ? -50.689 11.162 -14.912 1.00 42.42 ? 67 GLY A O 1 ATOM 269 N N . LEU A 1 41 ? -52.853 10.503 -15.006 1.00 43.05 ? 68 LEU A N 1 ATOM 270 C CA . LEU A 1 41 ? -52.576 9.062 -14.965 1.00 44.25 ? 68 LEU A CA 1 ATOM 271 C C . LEU A 1 41 ? -53.134 8.386 -16.220 1.00 43.26 ? 68 LEU A C 1 ATOM 272 O O . LEU A 1 41 ? -54.253 8.665 -16.641 1.00 42.59 ? 68 LEU A O 1 ATOM 273 C CB . LEU A 1 41 ? -53.183 8.409 -13.713 1.00 45.69 ? 68 LEU A CB 1 ATOM 274 C CG . LEU A 1 41 ? -52.555 8.656 -12.330 1.00 47.31 ? 68 LEU A CG 1 ATOM 275 C CD1 . LEU A 1 41 ? -51.046 8.462 -12.334 1.00 48.35 ? 68 LEU A CD1 1 ATOM 276 C CD2 . LEU A 1 41 ? -52.894 10.045 -11.826 1.00 47.00 ? 68 LEU A CD2 1 ATOM 277 N N . ASN A 1 42 ? -52.360 7.464 -16.779 1.00 43.65 ? 69 ASN A N 1 ATOM 278 C CA . ASN A 1 42 ? -52.668 6.863 -18.072 1.00 43.36 ? 69 ASN A CA 1 ATOM 279 C C . ASN A 1 42 ? -53.588 5.659 -17.913 1.00 44.51 ? 69 ASN A C 1 ATOM 280 O O . ASN A 1 42 ? -53.352 4.820 -17.038 1.00 45.61 ? 69 ASN A O 1 ATOM 281 C CB . ASN A 1 42 ? -51.365 6.444 -18.761 1.00 43.91 ? 69 ASN A CB 1 ATOM 282 C CG . ASN A 1 42 ? -50.425 7.618 -19.007 1.00 43.22 ? 69 ASN A CG 1 ATOM 283 O OD1 . ASN A 1 42 ? -50.865 8.761 -19.139 1.00 42.39 ? 69 ASN A OD1 1 ATOM 284 N ND2 . ASN A 1 42 ? -49.123 7.338 -19.073 1.00 43.95 ? 69 ASN A ND2 1 ATOM 285 N N . LEU A 1 43 ? -54.625 5.574 -18.758 1.00 44.18 ? 70 LEU A N 1 ATOM 286 C CA . LEU A 1 43 ? -55.535 4.412 -18.786 1.00 46.08 ? 70 LEU A CA 1 ATOM 287 C C . LEU A 1 43 ? -54.823 3.079 -18.984 1.00 47.48 ? 70 LEU A C 1 ATOM 288 O O . LEU A 1 43 ? -55.283 2.047 -18.490 1.00 48.59 ? 70 LEU A O 1 ATOM 289 C CB . LEU A 1 43 ? -56.588 4.547 -19.886 1.00 46.30 ? 70 LEU A CB 1 ATOM 290 C CG . LEU A 1 43 ? -57.690 5.598 -19.774 1.00 46.31 ? 70 LEU A CG 1 ATOM 291 C CD1 . LEU A 1 43 ? -58.737 5.319 -20.851 1.00 46.71 ? 70 LEU A CD1 1 ATOM 292 C CD2 . LEU A 1 43 ? -58.337 5.602 -18.396 1.00 46.98 ? 70 LEU A CD2 1 ATOM 293 N N . GLU A 1 44 ? -53.739 3.107 -19.752 1.00 48.17 ? 71 GLU A N 1 ATOM 294 C CA . GLU A 1 44 ? -52.750 2.027 -19.804 1.00 50.05 ? 71 GLU A CA 1 ATOM 295 C C . GLU A 1 44 ? -52.522 1.334 -18.469 1.00 49.66 ? 71 GLU A C 1 ATOM 296 O O . GLU A 1 44 ? -52.540 0.103 -18.387 1.00 50.24 ? 71 GLU A O 1 ATOM 297 C CB . GLU A 1 44 ? -51.398 2.614 -20.189 1.00 51.50 ? 71 GLU A CB 1 ATOM 298 C CG . GLU A 1 44 ? -51.094 2.575 -21.646 1.00 53.25 ? 71 GLU A CG 1 ATOM 299 C CD . GLU A 1 44 ? -49.641 2.861 -21.936 1.00 54.76 ? 71 GLU A CD 1 ATOM 300 O OE1 . GLU A 1 44 ? -48.944 3.527 -21.130 1.00 54.97 ? 71 GLU A OE1 1 ATOM 301 O OE2 . GLU A 1 44 ? -49.201 2.407 -23.003 1.00 57.51 ? 71 GLU A OE2 1 ATOM 302 N N . GLY A 1 45 ? -52.265 2.151 -17.442 1.00 47.75 ? 72 GLY A N 1 ATOM 303 C CA . GLY A 1 45 ? -51.954 1.666 -16.101 1.00 48.72 ? 72 GLY A CA 1 ATOM 304 C C . GLY A 1 45 ? -53.064 0.928 -15.381 1.00 48.83 ? 72 GLY A C 1 ATOM 305 O O . GLY A 1 45 ? -52.811 0.330 -14.339 1.00 50.65 ? 72 GLY A O 1 ATOM 306 N N . ASN A 1 46 ? -54.286 0.991 -15.911 1.00 47.61 ? 73 ASN A N 1 ATOM 307 C CA . ASN A 1 46 ? -55.425 0.222 -15.404 1.00 49.41 ? 73 ASN A CA 1 ATOM 308 C C . ASN A 1 46 ? -55.719 -1.060 -16.195 1.00 51.32 ? 73 ASN A C 1 ATOM 309 O O . ASN A 1 46 ? -56.694 -1.751 -15.904 1.00 53.14 ? 73 ASN A O 1 ATOM 310 C CB . ASN A 1 46 ? -56.672 1.108 -15.378 1.00 48.05 ? 73 ASN A CB 1 ATOM 311 C CG . ASN A 1 46 ? -56.439 2.413 -14.651 1.00 46.60 ? 73 ASN A CG 1 ATOM 312 O OD1 . ASN A 1 46 ? -55.555 2.511 -13.801 1.00 46.36 ? 73 ASN A OD1 1 ATOM 313 N ND2 . ASN A 1 46 ? -57.216 3.434 -15.002 1.00 45.75 ? 73 ASN A ND2 1 ATOM 314 N N . GLY A 1 47 ? -54.885 -1.373 -17.190 1.00 51.74 ? 74 GLY A N 1 ATOM 315 C CA . GLY A 1 47 ? -54.969 -2.633 -17.933 1.00 53.37 ? 74 GLY A CA 1 ATOM 316 C C . GLY A 1 47 ? -55.829 -2.627 -19.186 1.00 52.87 ? 74 GLY A C 1 ATOM 317 O O . GLY A 1 47 ? -56.156 -3.694 -19.699 1.00 54.44 ? 74 GLY A O 1 ATOM 318 N N . VAL A 1 48 ? -56.185 -1.451 -19.699 1.00 51.50 ? 75 VAL A N 1 ATOM 319 C CA . VAL A 1 48 ? -57.014 -1.381 -20.911 1.00 51.75 ? 75 VAL A CA 1 ATOM 320 C C . VAL A 1 48 ? -56.197 -1.792 -22.145 1.00 51.90 ? 75 VAL A C 1 ATOM 321 O O . VAL A 1 48 ? -54.988 -1.573 -22.195 1.00 51.65 ? 75 VAL A O 1 ATOM 322 C CB . VAL A 1 48 ? -57.657 0.011 -21.134 1.00 50.20 ? 75 VAL A CB 1 ATOM 323 C CG1 . VAL A 1 48 ? -58.429 0.454 -19.896 1.00 50.38 ? 75 VAL A CG1 1 ATOM 324 C CG2 . VAL A 1 48 ? -56.620 1.051 -21.548 1.00 49.05 ? 75 VAL A CG2 1 ATOM 325 N N . ALA A 1 49 ? -56.865 -2.397 -23.124 1.00 52.26 ? 76 ALA A N 1 ATOM 326 C CA . ALA A 1 49 ? -56.218 -2.780 -24.381 1.00 52.40 ? 76 ALA A CA 1 ATOM 327 C C . ALA A 1 49 ? -55.691 -1.539 -25.114 1.00 50.20 ? 76 ALA A C 1 ATOM 328 O O . ALA A 1 49 ? -56.419 -0.561 -25.291 1.00 49.02 ? 76 ALA A O 1 ATOM 329 C CB . ALA A 1 49 ? -57.190 -3.554 -25.263 1.00 53.42 ? 76 ALA A CB 1 ATOM 330 N N . THR A 1 50 ? -54.419 -1.588 -25.511 1.00 50.20 ? 77 THR A N 1 ATOM 331 C CA . THR A 1 50 ? -53.722 -0.455 -26.123 1.00 49.06 ? 77 THR A CA 1 ATOM 332 C C . THR A 1 50 ? -53.473 -0.566 -27.638 1.00 49.88 ? 77 THR A C 1 ATOM 333 O O . THR A 1 50 ? -53.060 0.417 -28.266 1.00 48.61 ? 77 THR A O 1 ATOM 334 C CB . THR A 1 50 ? -52.365 -0.232 -25.438 1.00 49.06 ? 77 THR A CB 1 ATOM 335 O OG1 . THR A 1 50 ? -51.580 -1.428 -25.513 1.00 50.34 ? 77 THR A OG1 1 ATOM 336 C CG2 . THR A 1 50 ? -52.565 0.156 -23.986 1.00 48.65 ? 77 THR A CG2 1 ATOM 337 N N . ASP A 1 51 ? -53.689 -1.746 -28.216 1.00 51.59 ? 78 ASP A N 1 ATOM 338 C CA . ASP A 1 51 ? -53.653 -1.900 -29.675 1.00 52.68 ? 78 ASP A CA 1 ATOM 339 C C . ASP A 1 51 ? -54.601 -0.902 -30.366 1.00 51.71 ? 78 ASP A C 1 ATOM 340 O O . ASP A 1 51 ? -55.668 -0.567 -29.836 1.00 50.82 ? 78 ASP A O 1 ATOM 341 C CB . ASP A 1 51 ? -53.988 -3.337 -30.090 1.00 54.94 ? 78 ASP A CB 1 ATOM 342 C CG . ASP A 1 51 ? -55.386 -3.770 -29.657 1.00 56.52 ? 78 ASP A CG 1 ATOM 343 O OD1 . ASP A 1 51 ? -56.305 -3.733 -30.503 1.00 58.13 ? 78 ASP A OD1 1 ATOM 344 O OD2 . ASP A 1 51 ? -55.572 -4.137 -28.471 1.00 57.13 ? 78 ASP A OD2 1 ATOM 345 N N . VAL A 1 52 ? -54.187 -0.424 -31.539 1.00 51.42 ? 79 VAL A N 1 ATOM 346 C CA . VAL A 1 52 ? -54.933 0.597 -32.287 1.00 50.54 ? 79 VAL A CA 1 ATOM 347 C C . VAL A 1 52 ? -56.407 0.234 -32.556 1.00 51.25 ? 79 VAL A C 1 ATOM 348 O O . VAL A 1 52 ? -57.277 1.081 -32.380 1.00 51.04 ? 79 VAL A O 1 ATOM 349 C CB . VAL A 1 52 ? -54.183 0.985 -33.598 1.00 50.70 ? 79 VAL A CB 1 ATOM 350 C CG1 . VAL A 1 52 ? -55.084 1.719 -34.583 1.00 50.56 ? 79 VAL A CG1 1 ATOM 351 C CG2 . VAL A 1 52 ? -52.969 1.843 -33.261 1.00 49.60 ? 79 VAL A CG2 1 ATOM 352 N N . PRO A 1 53 ? -56.697 -1.010 -32.981 1.00 52.94 ? 80 PRO A N 1 ATOM 353 C CA . PRO A 1 53 ? -58.112 -1.350 -33.197 1.00 54.31 ? 80 PRO A CA 1 ATOM 354 C C . PRO A 1 53 ? -58.986 -1.244 -31.931 1.00 54.32 ? 80 PRO A C 1 ATOM 355 O O . PRO A 1 53 ? -60.107 -0.749 -32.010 1.00 55.26 ? 80 PRO A O 1 ATOM 356 C CB . PRO A 1 53 ? -58.058 -2.789 -33.706 1.00 56.29 ? 80 PRO A CB 1 ATOM 357 C CG . PRO A 1 53 ? -56.696 -2.934 -34.281 1.00 56.30 ? 80 PRO A CG 1 ATOM 358 C CD . PRO A 1 53 ? -55.804 -2.090 -33.426 1.00 54.25 ? 80 PRO A CD 1 ATOM 359 N N . SER A 1 54 ? -58.468 -1.679 -30.783 1.00 53.86 ? 81 SER A N 1 ATOM 360 C CA . SER A 1 54 ? -59.200 -1.573 -29.511 1.00 53.31 ? 81 SER A CA 1 ATOM 361 C C . SER A 1 54 ? -59.292 -0.123 -29.018 1.00 51.68 ? 81 SER A C 1 ATOM 362 O O . SER A 1 54 ? -60.352 0.323 -28.568 1.00 51.61 ? 81 SER A O 1 ATOM 363 C CB . SER A 1 54 ? -58.531 -2.428 -28.436 1.00 53.59 ? 81 SER A CB 1 ATOM 364 O OG . SER A 1 54 ? -58.496 -3.787 -28.815 1.00 55.19 ? 81 SER A OG 1 ATOM 365 N N . ALA A 1 55 ? -58.178 0.602 -29.109 1.00 50.63 ? 82 ALA A N 1 ATOM 366 C CA . ALA A 1 55 ? -58.104 1.987 -28.639 1.00 48.99 ? 82 ALA A CA 1 ATOM 367 C C . ALA A 1 55 ? -59.055 2.924 -29.374 1.00 49.08 ? 82 ALA A C 1 ATOM 368 O O . ALA A 1 55 ? -59.756 3.714 -28.739 1.00 49.43 ? 82 ALA A O 1 ATOM 369 C CB . ALA A 1 55 ? -56.682 2.507 -28.742 1.00 48.05 ? 82 ALA A CB 1 ATOM 370 N N . THR A 1 56 ? -59.089 2.823 -30.700 1.00 49.24 ? 83 THR A N 1 ATOM 371 C CA . THR A 1 56 ? -59.900 3.727 -31.525 1.00 49.09 ? 83 THR A CA 1 ATOM 372 C C . THR A 1 56 ? -61.408 3.529 -31.361 1.00 50.11 ? 83 THR A C 1 ATOM 373 O O . THR A 1 56 ? -62.169 4.456 -31.617 1.00 49.78 ? 83 THR A O 1 ATOM 374 C CB . THR A 1 56 ? -59.544 3.621 -33.029 1.00 49.78 ? 83 THR A CB 1 ATOM 375 O OG1 . THR A 1 56 ? -59.727 2.277 -33.483 1.00 50.81 ? 83 THR A OG1 1 ATOM 376 C CG2 . THR A 1 56 ? -58.105 4.047 -33.274 1.00 49.25 ? 83 THR A CG2 1 ATOM 377 N N . LYS A 1 57 ? -61.836 2.336 -30.941 1.00 52.16 ? 84 LYS A N 1 ATOM 378 C CA . LYS A 1 57 ? -63.255 2.081 -30.627 1.00 53.78 ? 84 LYS A CA 1 ATOM 379 C C . LYS A 1 57 ? -63.762 2.817 -29.381 1.00 52.61 ? 84 LYS A C 1 ATOM 380 O O . LYS A 1 57 ? -64.978 2.953 -29.200 1.00 53.53 ? 84 LYS A O 1 ATOM 381 C CB . LYS A 1 57 ? -63.521 0.582 -30.475 1.00 56.74 ? 84 LYS A CB 1 ATOM 382 C CG . LYS A 1 57 ? -63.481 -0.157 -31.798 1.00 59.44 ? 84 LYS A CG 1 ATOM 383 C CD . LYS A 1 57 ? -63.559 -1.668 -31.634 1.00 62.41 ? 84 LYS A CD 1 ATOM 384 C CE . LYS A 1 57 ? -63.087 -2.352 -32.913 1.00 64.48 ? 84 LYS A CE 1 ATOM 385 N NZ . LYS A 1 57 ? -63.513 -3.774 -33.013 1.00 67.62 ? 84 LYS A NZ 1 ATOM 386 N N . ARG A 1 58 ? -62.842 3.269 -28.525 1.00 50.25 ? 85 ARG A N 1 ATOM 387 C CA . ARG A 1 58 ? -63.192 4.100 -27.374 1.00 48.92 ? 85 ARG A CA 1 ATOM 388 C C . ARG A 1 58 ? -63.431 5.569 -27.731 1.00 47.29 ? 85 ARG A C 1 ATOM 389 O O . ARG A 1 58 ? -63.845 6.331 -26.862 1.00 47.25 ? 85 ARG A O 1 ATOM 390 C CB . ARG A 1 58 ? -62.110 4.005 -26.286 1.00 48.01 ? 85 ARG A CB 1 ATOM 391 C CG . ARG A 1 58 ? -61.935 2.603 -25.715 1.00 49.59 ? 85 ARG A CG 1 ATOM 392 C CD . ARG A 1 58 ? -61.089 2.611 -24.446 1.00 49.25 ? 85 ARG A CD 1 ATOM 393 N NE . ARG A 1 58 ? -59.662 2.815 -24.718 1.00 48.34 ? 85 ARG A NE 1 ATOM 394 C CZ . ARG A 1 58 ? -58.762 1.849 -24.927 1.00 49.41 ? 85 ARG A CZ 1 ATOM 395 N NH1 . ARG A 1 58 ? -57.492 2.177 -25.150 1.00 48.37 ? 85 ARG A NH1 1 ATOM 396 N NH2 . ARG A 1 58 ? -59.100 0.555 -24.922 1.00 51.39 ? 85 ARG A NH2 1 ATOM 397 N N . TRP A 1 59 ? -63.150 5.981 -28.973 1.00 46.46 ? 86 TRP A N 1 ATOM 398 C CA . TRP A 1 59 ? -63.335 7.370 -29.394 1.00 44.96 ? 86 TRP A CA 1 ATOM 399 C C . TRP A 1 59 ? -64.466 7.470 -30.408 1.00 46.10 ? 86 TRP A C 1 ATOM 400 O O . TRP A 1 59 ? -64.705 6.530 -31.161 1.00 48.00 ? 86 TRP A O 1 ATOM 401 C CB . TRP A 1 59 ? -62.037 7.949 -29.963 1.00 44.06 ? 86 TRP A CB 1 ATOM 402 C CG . TRP A 1 59 ? -60.811 7.529 -29.193 1.00 43.45 ? 86 TRP A CG 1 ATOM 403 C CD1 . TRP A 1 59 ? -60.719 7.317 -27.848 1.00 42.99 ? 86 TRP A CD1 1 ATOM 404 C CD2 . TRP A 1 59 ? -59.512 7.270 -29.730 1.00 43.43 ? 86 TRP A CD2 1 ATOM 405 N NE1 . TRP A 1 59 ? -59.452 6.925 -27.517 1.00 43.31 ? 86 TRP A NE1 1 ATOM 406 C CE2 . TRP A 1 59 ? -58.685 6.894 -28.653 1.00 43.48 ? 86 TRP A CE2 1 ATOM 407 C CE3 . TRP A 1 59 ? -58.966 7.318 -31.016 1.00 43.95 ? 86 TRP A CE3 1 ATOM 408 C CZ2 . TRP A 1 59 ? -57.335 6.565 -28.823 1.00 43.46 ? 86 TRP A CZ2 1 ATOM 409 C CZ3 . TRP A 1 59 ? -57.627 6.986 -31.187 1.00 44.12 ? 86 TRP A CZ3 1 ATOM 410 C CH2 . TRP A 1 59 ? -56.830 6.609 -30.098 1.00 43.92 ? 86 TRP A CH2 1 ATOM 411 N N . GLY A 1 60 ? -65.164 8.604 -30.406 1.00 45.15 ? 87 GLY A N 1 ATOM 412 C CA . GLY A 1 60 ? -66.329 8.823 -31.264 1.00 45.92 ? 87 GLY A CA 1 ATOM 413 C C . GLY A 1 60 ? -66.600 10.301 -31.506 1.00 45.54 ? 87 GLY A C 1 ATOM 414 O O . GLY A 1 60 ? -66.252 11.154 -30.674 1.00 43.43 ? 87 GLY A O 1 ATOM 415 N N . PHE A 1 61 ? -67.227 10.591 -32.646 1.00 46.68 ? 88 PHE A N 1 ATOM 416 C CA . PHE A 1 61 ? -67.529 11.959 -33.070 1.00 47.25 ? 88 PHE A CA 1 ATOM 417 C C . PHE A 1 61 ? -68.906 12.420 -32.596 1.00 47.91 ? 88 PHE A C 1 ATOM 418 O O . PHE A 1 61 ? -69.857 11.640 -32.567 1.00 49.47 ? 88 PHE A O 1 ATOM 419 C CB . PHE A 1 61 ? -67.420 12.091 -34.599 1.00 49.00 ? 88 PHE A CB 1 ATOM 420 C CG . PHE A 1 61 ? -66.007 12.015 -35.102 1.00 48.67 ? 88 PHE A CG 1 ATOM 421 C CD1 . PHE A 1 61 ? -65.422 10.787 -35.391 1.00 48.94 ? 88 PHE A CD1 1 ATOM 422 C CD2 . PHE A 1 61 ? -65.246 13.172 -35.258 1.00 48.11 ? 88 PHE A CD2 1 ATOM 423 C CE1 . PHE A 1 61 ? -64.108 10.716 -35.830 1.00 48.52 ? 88 PHE A CE1 1 ATOM 424 C CE2 . PHE A 1 61 ? -63.934 13.104 -35.703 1.00 47.46 ? 88 PHE A CE2 1 ATOM 425 C CZ . PHE A 1 61 ? -63.362 11.874 -35.984 1.00 47.60 ? 88 PHE A CZ 1 ATOM 426 N N . ARG A 1 62 ? -69.003 13.701 -32.249 1.00 47.02 ? 89 ARG A N 1 ATOM 427 C CA . ARG A 1 62 ? -70.229 14.279 -31.692 1.00 47.63 ? 89 ARG A CA 1 ATOM 428 C C . ARG A 1 62 ? -70.235 15.783 -31.954 1.00 47.03 ? 89 ARG A C 1 ATOM 429 O O . ARG A 1 62 ? -69.197 16.431 -31.854 1.00 45.30 ? 89 ARG A O 1 ATOM 430 C CB . ARG A 1 62 ? -70.282 13.972 -30.179 1.00 47.22 ? 89 ARG A CB 1 ATOM 431 C CG . ARG A 1 62 ? -71.299 14.737 -29.333 1.00 47.90 ? 89 ARG A CG 1 ATOM 432 C CD . ARG A 1 62 ? -72.721 14.324 -29.647 1.00 50.29 ? 89 ARG A CD 1 ATOM 433 N NE . ARG A 1 62 ? -73.715 15.202 -29.015 1.00 51.49 ? 89 ARG A NE 1 ATOM 434 C CZ . ARG A 1 62 ? -74.083 15.174 -27.731 1.00 50.96 ? 89 ARG A CZ 1 ATOM 435 N NH1 . ARG A 1 62 ? -75.007 16.027 -27.303 1.00 52.01 ? 89 ARG A NH1 1 ATOM 436 N NH2 . ARG A 1 62 ? -73.540 14.314 -26.869 1.00 49.68 ? 89 ARG A NH2 1 ATOM 437 N N . SER A 1 63 ? -71.406 16.320 -32.281 1.00 48.47 ? 90 SER A N 1 ATOM 438 C CA . SER A 1 63 ? -71.611 17.764 -32.417 1.00 48.77 ? 90 SER A CA 1 ATOM 439 C C . SER A 1 63 ? -72.428 18.325 -31.246 1.00 48.63 ? 90 SER A C 1 ATOM 440 O O . SER A 1 63 ? -73.057 17.570 -30.510 1.00 48.83 ? 90 SER A O 1 ATOM 441 C CB . SER A 1 63 ? -72.320 18.059 -33.739 1.00 50.74 ? 90 SER A CB 1 ATOM 442 O OG . SER A 1 63 ? -71.472 17.727 -34.821 1.00 50.86 ? 90 SER A OG 1 ATOM 443 N N . GLY A 1 64 ? -72.403 19.647 -31.084 1.00 48.43 ? 91 GLY A N 1 ATOM 444 C CA . GLY A 1 64 ? -73.197 20.341 -30.062 1.00 49.22 ? 91 GLY A CA 1 ATOM 445 C C . GLY A 1 64 ? -72.539 20.523 -28.698 1.00 47.60 ? 91 GLY A C 1 ATOM 446 O O . GLY A 1 64 ? -73.061 21.257 -27.863 1.00 48.09 ? 91 GLY A O 1 ATOM 447 N N . VAL A 1 65 ? -71.402 19.867 -28.468 1.00 45.97 ? 92 VAL A N 1 ATOM 448 C CA . VAL A 1 65 ? -70.696 19.921 -27.192 1.00 44.64 ? 92 VAL A CA 1 ATOM 449 C C . VAL A 1 65 ? -69.382 20.691 -27.368 1.00 43.72 ? 92 VAL A C 1 ATOM 450 O O . VAL A 1 65 ? -68.464 20.194 -28.029 1.00 42.87 ? 92 VAL A O 1 ATOM 451 C CB . VAL A 1 65 ? -70.413 18.503 -26.664 1.00 44.00 ? 92 VAL A CB 1 ATOM 452 C CG1 . VAL A 1 65 ? -69.662 18.558 -25.335 1.00 43.07 ? 92 VAL A CG1 1 ATOM 453 C CG2 . VAL A 1 65 ? -71.720 17.736 -26.509 1.00 45.78 ? 92 VAL A CG2 1 ATOM 454 N N . PRO A 1 66 ? -69.275 21.905 -26.784 1.00 44.37 ? 93 PRO A N 1 ATOM 455 C CA . PRO A 1 66 ? -68.013 22.656 -26.893 1.00 44.00 ? 93 PRO A CA 1 ATOM 456 C C . PRO A 1 66 ? -66.832 21.943 -26.207 1.00 42.52 ? 93 PRO A C 1 ATOM 457 O O . PRO A 1 66 ? -67.008 21.398 -25.125 1.00 42.64 ? 93 PRO A O 1 ATOM 458 C CB . PRO A 1 66 ? -68.312 23.979 -26.165 1.00 44.54 ? 93 PRO A CB 1 ATOM 459 C CG . PRO A 1 66 ? -69.785 24.061 -26.052 1.00 46.09 ? 93 PRO A CG 1 ATOM 460 C CD . PRO A 1 66 ? -70.297 22.656 -26.033 1.00 45.92 ? 93 PRO A CD 1 ATOM 461 N N . PRO A 1 67 ? -65.643 21.936 -26.830 1.00 42.27 ? 94 PRO A N 1 ATOM 462 C CA . PRO A 1 67 ? -64.499 21.313 -26.155 1.00 41.43 ? 94 PRO A CA 1 ATOM 463 C C . PRO A 1 67 ? -64.050 22.060 -24.891 1.00 40.85 ? 94 PRO A C 1 ATOM 464 O O . PRO A 1 67 ? -64.345 23.241 -24.723 1.00 41.19 ? 94 PRO A O 1 ATOM 465 C CB . PRO A 1 67 ? -63.398 21.353 -27.213 1.00 41.25 ? 94 PRO A CB 1 ATOM 466 C CG . PRO A 1 67 ? -63.788 22.452 -28.127 1.00 42.71 ? 94 PRO A CG 1 ATOM 467 C CD . PRO A 1 67 ? -65.282 22.433 -28.167 1.00 43.39 ? 94 PRO A CD 1 ATOM 468 N N . LYS A 1 68 ? -63.361 21.348 -24.007 1.00 39.74 ? 95 LYS A N 1 ATOM 469 C CA . LYS A 1 68 ? -62.893 21.915 -22.755 1.00 39.38 ? 95 LYS A CA 1 ATOM 470 C C . LYS A 1 68 ? -61.521 21.370 -22.440 1.00 39.29 ? 95 LYS A C 1 ATOM 471 O O . LYS A 1 68 ? -61.233 20.210 -22.726 1.00 38.85 ? 95 LYS A O 1 ATOM 472 C CB . LYS A 1 68 ? -63.872 21.593 -21.628 1.00 39.44 ? 95 LYS A CB 1 ATOM 473 C CG . LYS A 1 68 ? -65.220 22.300 -21.728 1.00 40.32 ? 95 LYS A CG 1 ATOM 474 C CD . LYS A 1 68 ? -65.096 23.781 -21.395 1.00 40.71 ? 95 LYS A CD 1 ATOM 475 C CE . LYS A 1 68 ? -66.281 24.587 -21.881 1.00 41.78 ? 95 LYS A CE 1 ATOM 476 N NZ . LYS A 1 68 ? -67.562 24.060 -21.351 1.00 42.54 ? 95 LYS A NZ 1 ATOM 477 N N . VAL A 1 69 ? -60.688 22.226 -21.846 1.00 39.92 ? 96 VAL A N 1 ATOM 478 C CA . VAL A 1 69 ? -59.294 21.923 -21.544 1.00 39.45 ? 96 VAL A CA 1 ATOM 479 C C . VAL A 1 69 ? -58.993 22.275 -20.080 1.00 39.37 ? 96 VAL A C 1 ATOM 480 O O . VAL A 1 69 ? -59.435 23.310 -19.577 1.00 39.40 ? 96 VAL A O 1 ATOM 481 C CB . VAL A 1 69 ? -58.357 22.711 -22.490 1.00 39.72 ? 96 VAL A CB 1 ATOM 482 C CG1 . VAL A 1 69 ? -56.899 22.546 -22.093 1.00 39.35 ? 96 VAL A CG1 1 ATOM 483 C CG2 . VAL A 1 69 ? -58.579 22.263 -23.933 1.00 40.40 ? 96 VAL A CG2 1 ATOM 484 N N . VAL A 1 70 ? -58.236 21.407 -19.413 1.00 39.02 ? 97 VAL A N 1 ATOM 485 C CA . VAL A 1 70 ? -57.831 21.612 -18.020 1.00 39.23 ? 97 VAL A CA 1 ATOM 486 C C . VAL A 1 70 ? -56.372 21.225 -17.890 1.00 39.68 ? 97 VAL A C 1 ATOM 487 O O . VAL A 1 70 ? -55.949 20.229 -18.472 1.00 39.23 ? 97 VAL A O 1 ATOM 488 C CB . VAL A 1 70 ? -58.707 20.820 -17.025 1.00 39.25 ? 97 VAL A CB 1 ATOM 489 C CG1 . VAL A 1 70 ? -58.690 19.321 -17.309 1.00 39.66 ? 97 VAL A CG1 1 ATOM 490 C CG2 . VAL A 1 70 ? -58.283 21.089 -15.587 1.00 39.62 ? 97 VAL A CG2 1 ATOM 491 N N . ASN A 1 71 ? -55.594 22.013 -17.147 1.00 40.88 ? 98 ASN A N 1 ATOM 492 C CA . ASN A 1 71 ? -54.180 21.713 -17.022 1.00 41.70 ? 98 ASN A CA 1 ATOM 493 C C . ASN A 1 71 ? -53.938 20.652 -15.952 1.00 40.53 ? 98 ASN A C 1 ATOM 494 O O . ASN A 1 71 ? -54.796 20.379 -15.124 1.00 39.63 ? 98 ASN A O 1 ATOM 495 C CB . ASN A 1 71 ? -53.345 22.976 -16.792 1.00 43.80 ? 98 ASN A CB 1 ATOM 496 C CG . ASN A 1 71 ? -53.317 23.399 -15.361 1.00 46.02 ? 98 ASN A CG 1 ATOM 497 O OD1 . ASN A 1 71 ? -54.365 23.626 -14.758 1.00 48.55 ? 98 ASN A OD1 1 ATOM 498 N ND2 . ASN A 1 71 ? -52.121 23.497 -14.794 1.00 47.10 ? 98 ASN A ND2 1 ATOM 499 N N . TYR A 1 72 ? -52.779 20.020 -16.042 1.00 40.26 ? 99 TYR A N 1 ATOM 500 C CA . TYR A 1 72 ? -52.289 19.112 -15.022 1.00 40.85 ? 99 TYR A CA 1 ATOM 501 C C . TYR A 1 72 ? -50.768 19.269 -15.013 1.00 41.82 ? 99 TYR A C 1 ATOM 502 O O . TYR A 1 72 ? -50.170 19.538 -16.051 1.00 41.01 ? 99 TYR A O 1 ATOM 503 C CB . TYR A 1 72 ? -52.767 17.675 -15.281 1.00 40.63 ? 99 TYR A CB 1 ATOM 504 C CG . TYR A 1 72 ? -52.137 17.004 -16.478 1.00 40.84 ? 99 TYR A CG 1 ATOM 505 C CD1 . TYR A 1 72 ? -52.660 17.165 -17.769 1.00 40.28 ? 99 TYR A CD1 1 ATOM 506 C CD2 . TYR A 1 72 ? -51.013 16.208 -16.322 1.00 41.54 ? 99 TYR A CD2 1 ATOM 507 C CE1 . TYR A 1 72 ? -52.060 16.550 -18.864 1.00 39.91 ? 99 TYR A CE1 1 ATOM 508 C CE2 . TYR A 1 72 ? -50.412 15.594 -17.399 1.00 41.68 ? 99 TYR A CE2 1 ATOM 509 C CZ . TYR A 1 72 ? -50.934 15.770 -18.671 1.00 40.57 ? 99 TYR A CZ 1 ATOM 510 O OH . TYR A 1 72 ? -50.309 15.150 -19.719 1.00 39.82 ? 99 TYR A OH 1 ATOM 511 N N . GLU A 1 73 ? -50.155 19.138 -13.840 1.00 43.04 ? 100 GLU A N 1 ATOM 512 C CA . GLU A 1 73 ? -48.753 19.546 -13.626 1.00 44.75 ? 100 GLU A CA 1 ATOM 513 C C . GLU A 1 73 ? -47.730 18.441 -13.846 1.00 44.28 ? 100 GLU A C 1 ATOM 514 O O . GLU A 1 73 ? -46.576 18.725 -14.158 1.00 46.12 ? 100 GLU A O 1 ATOM 515 C CB . GLU A 1 73 ? -48.574 20.107 -12.205 1.00 47.58 ? 100 GLU A CB 1 ATOM 516 C CG . GLU A 1 73 ? -49.368 21.387 -11.944 1.00 49.02 ? 100 GLU A CG 1 ATOM 517 C CD . GLU A 1 73 ? -49.424 21.786 -10.472 1.00 51.92 ? 100 GLU A CD 1 ATOM 518 O OE1 . GLU A 1 73 ? -49.310 22.999 -10.176 1.00 54.22 ? 100 GLU A OE1 1 ATOM 519 O OE2 . GLU A 1 73 ? -49.582 20.901 -9.603 1.00 53.34 ? 100 GLU A OE2 1 ATOM 520 N N . ALA A 1 74 ? -48.137 17.192 -13.652 1.00 42.97 ? 101 ALA A N 1 ATOM 521 C CA . ALA A 1 74 ? -47.221 16.055 -13.719 1.00 42.90 ? 101 ALA A CA 1 ATOM 522 C C . ALA A 1 74 ? -47.932 14.883 -14.331 1.00 40.81 ? 101 ALA A C 1 ATOM 523 O O . ALA A 1 74 ? -49.131 14.722 -14.157 1.00 40.20 ? 101 ALA A O 1 ATOM 524 C CB . ALA A 1 74 ? -46.722 15.696 -12.330 1.00 44.57 ? 101 ALA A CB 1 ATOM 525 N N . GLY A 1 75 ? -47.193 14.058 -15.051 1.00 40.73 ? 102 GLY A N 1 ATOM 526 C CA . GLY A 1 75 ? -47.792 12.936 -15.750 1.00 39.82 ? 102 GLY A CA 1 ATOM 527 C C . GLY A 1 75 ? -46.947 11.700 -15.692 1.00 40.56 ? 102 GLY A C 1 ATOM 528 O O . GLY A 1 75 ? -45.895 11.686 -15.071 1.00 41.52 ? 102 GLY A O 1 ATOM 529 N N . GLU A 1 76 ? -47.433 10.669 -16.367 1.00 40.30 ? 103 GLU A N 1 ATOM 530 C CA . GLU A 1 76 ? -46.818 9.358 -16.375 1.00 42.04 ? 103 GLU A CA 1 ATOM 531 C C . GLU A 1 76 ? -46.237 9.069 -17.763 1.00 42.19 ? 103 GLU A C 1 ATOM 532 O O . GLU A 1 76 ? -46.858 9.395 -18.771 1.00 40.80 ? 103 GLU A O 1 ATOM 533 C CB . GLU A 1 76 ? -47.884 8.325 -16.022 1.00 42.15 ? 103 GLU A CB 1 ATOM 534 C CG . GLU A 1 76 ? -47.383 6.894 -15.964 1.00 44.11 ? 103 GLU A CG 1 ATOM 535 C CD . GLU A 1 76 ? -48.418 5.927 -15.428 1.00 44.93 ? 103 GLU A CD 1 ATOM 536 O OE1 . GLU A 1 76 ? -48.010 4.837 -14.977 1.00 47.30 ? 103 GLU A OE1 1 ATOM 537 O OE2 . GLU A 1 76 ? -49.632 6.238 -15.465 1.00 43.78 ? 103 GLU A OE2 1 ATOM 538 N N . TRP A 1 77 ? -45.066 8.437 -17.804 1.00 43.99 ? 104 TRP A N 1 ATOM 539 C CA . TRP A 1 77 ? -44.452 8.017 -19.068 1.00 44.74 ? 104 TRP A CA 1 ATOM 540 C C . TRP A 1 77 ? -45.351 6.947 -19.655 1.00 44.96 ? 104 TRP A C 1 ATOM 541 O O . TRP A 1 77 ? -45.719 5.997 -18.956 1.00 46.51 ? 104 TRP A O 1 ATOM 542 C CB . TRP A 1 77 ? -43.076 7.395 -18.849 1.00 46.57 ? 104 TRP A CB 1 ATOM 543 C CG . TRP A 1 77 ? -41.972 8.322 -18.467 1.00 47.38 ? 104 TRP A CG 1 ATOM 544 C CD1 . TRP A 1 77 ? -41.982 9.264 -17.476 1.00 47.04 ? 104 TRP A CD1 1 ATOM 545 C CD2 . TRP A 1 77 ? -40.655 8.346 -19.029 1.00 48.89 ? 104 TRP A CD2 1 ATOM 546 N NE1 . TRP A 1 77 ? -40.763 9.892 -17.408 1.00 48.57 ? 104 TRP A NE1 1 ATOM 547 C CE2 . TRP A 1 77 ? -39.928 9.347 -18.348 1.00 49.51 ? 104 TRP A CE2 1 ATOM 548 C CE3 . TRP A 1 77 ? -40.022 7.623 -20.051 1.00 49.89 ? 104 TRP A CE3 1 ATOM 549 C CZ2 . TRP A 1 77 ? -38.595 9.648 -18.654 1.00 51.41 ? 104 TRP A CZ2 1 ATOM 550 C CZ3 . TRP A 1 77 ? -38.695 7.918 -20.356 1.00 51.71 ? 104 TRP A CZ3 1 ATOM 551 C CH2 . TRP A 1 77 ? -37.996 8.927 -19.658 1.00 52.64 ? 104 TRP A CH2 1 ATOM 552 N N . ALA A 1 78 ? -45.715 7.112 -20.920 1.00 44.29 ? 105 ALA A N 1 ATOM 553 C CA . ALA A 1 78 ? -46.621 6.195 -21.596 1.00 44.48 ? 105 ALA A CA 1 ATOM 554 C C . ALA A 1 78 ? -45.849 5.209 -22.471 1.00 46.23 ? 105 ALA A C 1 ATOM 555 O O . ALA A 1 78 ? -44.853 5.570 -23.085 1.00 46.79 ? 105 ALA A O 1 ATOM 556 C CB . ALA A 1 78 ? -47.598 6.990 -22.443 1.00 43.09 ? 105 ALA A CB 1 ATOM 557 N N . GLU A 1 79 ? -46.297 3.959 -22.505 1.00 47.81 ? 106 GLU A N 1 ATOM 558 C CA . GLU A 1 79 ? -45.869 3.022 -23.542 1.00 49.90 ? 106 GLU A CA 1 ATOM 559 C C . GLU A 1 79 ? -46.517 3.335 -24.883 1.00 48.54 ? 106 GLU A C 1 ATOM 560 O O . GLU A 1 79 ? -45.855 3.253 -25.922 1.00 48.70 ? 106 GLU A O 1 ATOM 561 C CB . GLU A 1 79 ? -46.173 1.574 -23.167 1.00 52.33 ? 106 GLU A CB 1 ATOM 562 C CG . GLU A 1 79 ? -45.079 0.955 -22.333 1.00 55.81 ? 106 GLU A CG 1 ATOM 563 C CD . GLU A 1 79 ? -43.981 0.304 -23.133 1.00 58.28 ? 106 GLU A CD 1 ATOM 564 O OE1 . GLU A 1 79 ? -44.294 -0.547 -23.994 1.00 59.58 ? 106 GLU A OE1 1 ATOM 565 O OE2 . GLU A 1 79 ? -42.800 0.611 -22.859 1.00 61.18 ? 106 GLU A OE2 1 ATOM 566 N N . ASN A 1 80 ? -47.798 3.689 -24.848 1.00 46.66 ? 107 ASN A N 1 ATOM 567 C CA . ASN A 1 80 ? -48.595 3.858 -26.048 1.00 46.86 ? 107 ASN A CA 1 ATOM 568 C C . ASN A 1 80 ? -49.234 5.234 -26.086 1.00 45.28 ? 107 ASN A C 1 ATOM 569 O O . ASN A 1 80 ? -49.958 5.626 -25.158 1.00 44.19 ? 107 ASN A O 1 ATOM 570 C CB . ASN A 1 80 ? -49.677 2.786 -26.121 1.00 47.23 ? 107 ASN A CB 1 ATOM 571 C CG . ASN A 1 80 ? -49.102 1.390 -26.181 1.00 49.12 ? 107 ASN A CG 1 ATOM 572 O OD1 . ASN A 1 80 ? -48.568 0.969 -27.208 1.00 50.12 ? 107 ASN A OD1 1 ATOM 573 N ND2 . ASN A 1 80 ? -49.212 0.661 -25.080 1.00 50.21 ? 107 ASN A ND2 1 ATOM 574 N N . CYS A 1 81 ? -48.935 5.961 -27.159 1.00 45.23 ? 108 CYS A N 1 ATOM 575 C CA . CYS A 1 81 ? -49.612 7.206 -27.494 1.00 44.44 ? 108 CYS A CA 1 ATOM 576 C C . CYS A 1 81 ? -50.131 7.122 -28.931 1.00 44.17 ? 108 CYS A C 1 ATOM 577 O O . CYS A 1 81 ? -49.737 6.238 -29.696 1.00 44.64 ? 108 CYS A O 1 ATOM 578 C CB . CYS A 1 81 ? -48.658 8.393 -27.345 1.00 45.27 ? 108 CYS A CB 1 ATOM 579 S SG . CYS A 1 81 ? -47.976 8.725 -25.687 1.00 46.27 ? 108 CYS A SG 1 ATOM 580 N N . TYR A 1 82 ? -51.015 8.046 -29.289 1.00 42.98 ? 109 TYR A N 1 ATOM 581 C CA . TYR A 1 82 ? -51.680 8.036 -30.587 1.00 43.08 ? 109 TYR A CA 1 ATOM 582 C C . TYR A 1 82 ? -51.634 9.418 -31.212 1.00 43.24 ? 109 TYR A C 1 ATOM 583 O O . TYR A 1 82 ? -51.597 10.424 -30.508 1.00 41.61 ? 109 TYR A O 1 ATOM 584 C CB . TYR A 1 82 ? -53.127 7.548 -30.441 1.00 43.09 ? 109 TYR A CB 1 ATOM 585 C CG . TYR A 1 82 ? -53.216 6.279 -29.624 1.00 43.51 ? 109 TYR A CG 1 ATOM 586 C CD1 . TYR A 1 82 ? -53.099 5.024 -30.225 1.00 44.42 ? 109 TYR A CD1 1 ATOM 587 C CD2 . TYR A 1 82 ? -53.356 6.337 -28.237 1.00 42.89 ? 109 TYR A CD2 1 ATOM 588 C CE1 . TYR A 1 82 ? -53.146 3.863 -29.467 1.00 45.49 ? 109 TYR A CE1 1 ATOM 589 C CE2 . TYR A 1 82 ? -53.403 5.184 -27.470 1.00 43.36 ? 109 TYR A CE2 1 ATOM 590 C CZ . TYR A 1 82 ? -53.295 3.958 -28.078 1.00 44.90 ? 109 TYR A CZ 1 ATOM 591 O OH . TYR A 1 82 ? -53.352 2.834 -27.302 1.00 46.17 ? 109 TYR A OH 1 ATOM 592 N N . ASN A 1 83 ? -51.637 9.444 -32.543 1.00 44.51 ? 110 ASN A N 1 ATOM 593 C CA . ASN A 1 83 ? -51.510 10.672 -33.331 1.00 44.82 ? 110 ASN A CA 1 ATOM 594 C C . ASN A 1 83 ? -52.316 10.434 -34.615 1.00 45.92 ? 110 ASN A C 1 ATOM 595 O O . ASN A 1 83 ? -51.975 9.548 -35.393 1.00 46.31 ? 110 ASN A O 1 ATOM 596 C CB . ASN A 1 83 ? -50.021 10.931 -33.604 1.00 45.42 ? 110 ASN A CB 1 ATOM 597 C CG . ASN A 1 83 ? -49.758 12.258 -34.298 1.00 45.66 ? 110 ASN A CG 1 ATOM 598 O OD1 . ASN A 1 83 ? -50.288 12.512 -35.375 1.00 46.81 ? 110 ASN A OD1 1 ATOM 599 N ND2 . ASN A 1 83 ? -48.909 13.096 -33.703 1.00 44.83 ? 110 ASN A ND2 1 ATOM 600 N N . LEU A 1 84 ? -53.396 11.194 -34.808 1.00 46.08 ? 111 LEU A N 1 ATOM 601 C CA . LEU A 1 84 ? -54.401 10.897 -35.838 1.00 47.38 ? 111 LEU A CA 1 ATOM 602 C C . LEU A 1 84 ? -54.426 11.945 -36.948 1.00 49.02 ? 111 LEU A C 1 ATOM 603 O O . LEU A 1 84 ? -54.488 13.144 -36.660 1.00 47.59 ? 111 LEU A O 1 ATOM 604 C CB . LEU A 1 84 ? -55.798 10.809 -35.218 1.00 46.96 ? 111 LEU A CB 1 ATOM 605 C CG . LEU A 1 84 ? -56.030 9.815 -34.078 1.00 47.00 ? 111 LEU A CG 1 ATOM 606 C CD1 . LEU A 1 84 ? -57.502 9.797 -33.698 1.00 46.91 ? 111 LEU A CD1 1 ATOM 607 C CD2 . LEU A 1 84 ? -55.566 8.416 -34.451 1.00 48.27 ? 111 LEU A CD2 1 ATOM 608 N N . GLU A 1 85 ? -54.381 11.469 -38.201 1.00 51.23 ? 112 GLU A N 1 ATOM 609 C CA . GLU A 1 85 ? -54.566 12.291 -39.404 1.00 53.76 ? 112 GLU A CA 1 ATOM 610 C C . GLU A 1 85 ? -55.695 11.679 -40.225 1.00 54.40 ? 112 GLU A C 1 ATOM 611 O O . GLU A 1 85 ? -55.448 10.957 -41.195 1.00 55.85 ? 112 GLU A O 1 ATOM 612 C CB . GLU A 1 85 ? -53.284 12.323 -40.244 1.00 56.52 ? 112 GLU A CB 1 ATOM 613 C CG . GLU A 1 85 ? -52.105 13.032 -39.594 1.00 58.10 ? 112 GLU A CG 1 ATOM 614 C CD . GLU A 1 85 ? -52.166 14.546 -39.682 1.00 60.54 ? 112 GLU A CD 1 ATOM 615 O OE1 . GLU A 1 85 ? -53.097 15.104 -40.323 1.00 62.77 ? 112 GLU A OE1 1 ATOM 616 O OE2 . GLU A 1 85 ? -51.250 15.182 -39.109 1.00 62.28 ? 112 GLU A OE2 1 ATOM 617 N N . ILE A 1 86 ? -56.932 11.970 -39.836 1.00 53.32 ? 113 ILE A N 1 ATOM 618 C CA . ILE A 1 86 ? -58.105 11.375 -40.466 1.00 54.44 ? 113 ILE A CA 1 ATOM 619 C C . ILE A 1 86 ? -58.823 12.417 -41.329 1.00 55.89 ? 113 ILE A C 1 ATOM 620 O O . ILE A 1 86 ? -59.048 13.543 -40.890 1.00 55.50 ? 113 ILE A O 1 ATOM 621 C CB . ILE A 1 86 ? -59.080 10.781 -39.423 1.00 53.98 ? 113 ILE A CB 1 ATOM 622 C CG1 . ILE A 1 86 ? -58.343 9.890 -38.411 1.00 53.06 ? 113 ILE A CG1 1 ATOM 623 C CG2 . ILE A 1 86 ? -60.185 9.979 -40.104 1.00 55.91 ? 113 ILE A CG2 1 ATOM 624 C CD1 . ILE A 1 86 ? -57.592 8.717 -39.014 1.00 54.16 ? 113 ILE A CD1 1 ATOM 625 N N . LYS A 1 87 ? -59.162 12.033 -42.560 1.00 57.61 ? 114 LYS A N 1 ATOM 626 C CA . LYS A 1 87 ? -59.949 12.867 -43.469 1.00 59.43 ? 114 LYS A CA 1 ATOM 627 C C . LYS A 1 87 ? -61.244 12.158 -43.826 1.00 60.73 ? 114 LYS A C 1 ATOM 628 O O . LYS A 1 87 ? -61.365 10.960 -43.643 1.00 60.03 ? 114 LYS A O 1 ATOM 629 C CB . LYS A 1 87 ? -59.159 13.148 -44.747 1.00 61.47 ? 114 LYS A CB 1 ATOM 630 C CG . LYS A 1 87 ? -57.925 14.002 -44.532 1.00 61.53 ? 114 LYS A CG 1 ATOM 631 C CD . LYS A 1 87 ? -57.181 14.257 -45.830 1.00 64.16 ? 114 LYS A CD 1 ATOM 632 C CE . LYS A 1 87 ? -56.085 15.299 -45.661 1.00 64.77 ? 114 LYS A CE 1 ATOM 633 N NZ . LYS A 1 87 ? -55.115 14.922 -44.585 1.00 63.78 ? 114 LYS A NZ 1 ATOM 634 N N . LYS A 1 88 ? -62.227 12.910 -44.306 1.00 63.05 ? 115 LYS A N 1 ATOM 635 C CA . LYS A 1 88 ? -63.404 12.311 -44.936 1.00 66.59 ? 115 LYS A CA 1 ATOM 636 C C . LYS A 1 88 ? -63.018 11.881 -46.359 1.00 69.25 ? 115 LYS A C 1 ATOM 637 O O . LYS A 1 88 ? -62.006 12.356 -46.887 1.00 69.15 ? 115 LYS A O 1 ATOM 638 C CB . LYS A 1 88 ? -64.584 13.293 -44.960 1.00 68.44 ? 115 LYS A CB 1 ATOM 639 C CG . LYS A 1 88 ? -65.275 13.459 -43.611 1.00 67.85 ? 115 LYS A CG 1 ATOM 640 C CD . LYS A 1 88 ? -66.687 14.031 -43.727 1.00 70.44 ? 115 LYS A CD 1 ATOM 641 C CE . LYS A 1 88 ? -66.721 15.555 -43.669 1.00 70.81 ? 115 LYS A CE 1 ATOM 642 N NZ . LYS A 1 88 ? -66.405 16.102 -42.319 1.00 68.36 ? 115 LYS A NZ 1 ATOM 643 N N . PRO A 1 89 ? -63.805 10.978 -46.985 1.00 71.84 ? 116 PRO A N 1 ATOM 644 C CA . PRO A 1 89 ? -63.535 10.584 -48.386 1.00 74.40 ? 116 PRO A CA 1 ATOM 645 C C . PRO A 1 89 ? -63.398 11.752 -49.382 1.00 76.34 ? 116 PRO A C 1 ATOM 646 O O . PRO A 1 89 ? -62.674 11.620 -50.371 1.00 77.62 ? 116 PRO A O 1 ATOM 647 C CB . PRO A 1 89 ? -64.739 9.692 -48.754 1.00 76.28 ? 116 PRO A CB 1 ATOM 648 C CG . PRO A 1 89 ? -65.700 9.791 -47.614 1.00 75.55 ? 116 PRO A CG 1 ATOM 649 C CD . PRO A 1 89 ? -64.895 10.171 -46.407 1.00 72.30 ? 116 PRO A CD 1 ATOM 650 N N . ASP A 1 90 ? -64.070 12.877 -49.109 1.00 76.65 ? 117 ASP A N 1 ATOM 651 C CA . ASP A 1 90 ? -63.921 14.111 -49.906 1.00 78.07 ? 117 ASP A CA 1 ATOM 652 C C . ASP A 1 90 ? -62.650 14.954 -49.624 1.00 75.72 ? 117 ASP A C 1 ATOM 653 O O . ASP A 1 90 ? -62.529 16.062 -50.147 1.00 76.61 ? 117 ASP A O 1 ATOM 654 C CB . ASP A 1 90 ? -65.182 14.990 -49.766 1.00 79.99 ? 117 ASP A CB 1 ATOM 655 C CG . ASP A 1 90 ? -65.310 15.668 -48.393 1.00 78.90 ? 117 ASP A CG 1 ATOM 656 O OD1 . ASP A 1 90 ? -64.479 15.434 -47.484 1.00 77.12 ? 117 ASP A OD1 1 ATOM 657 O OD2 . ASP A 1 90 ? -66.268 16.449 -48.223 1.00 81.13 ? 117 ASP A OD2 1 ATOM 658 N N . GLY A 1 91 ? -61.737 14.460 -48.783 1.00 72.28 ? 118 GLY A N 1 ATOM 659 C CA . GLY A 1 91 ? -60.460 15.134 -48.520 1.00 70.66 ? 118 GLY A CA 1 ATOM 660 C C . GLY A 1 91 ? -60.426 16.171 -47.399 1.00 68.34 ? 118 GLY A C 1 ATOM 661 O O . GLY A 1 91 ? -59.342 16.645 -47.041 1.00 66.98 ? 118 GLY A O 1 ATOM 662 N N . SER A 1 92 ? -61.586 16.538 -46.847 1.00 67.36 ? 119 SER A N 1 ATOM 663 C CA . SER A 1 92 ? -61.645 17.544 -45.783 1.00 65.61 ? 119 SER A CA 1 ATOM 664 C C . SER A 1 92 ? -61.247 16.929 -44.444 1.00 62.84 ? 119 SER A C 1 ATOM 665 O O . SER A 1 92 ? -61.414 15.731 -44.221 1.00 61.05 ? 119 SER A O 1 ATOM 666 C CB . SER A 1 92 ? -63.036 18.172 -45.688 1.00 66.53 ? 119 SER A CB 1 ATOM 667 O OG . SER A 1 92 ? -64.026 17.201 -45.411 1.00 66.74 ? 119 SER A OG 1 ATOM 668 N N . GLU A 1 93 ? -60.727 17.771 -43.557 1.00 62.08 ? 120 GLU A N 1 ATOM 669 C CA . GLU A 1 93 ? -60.174 17.319 -42.285 1.00 60.54 ? 120 GLU A CA 1 ATOM 670 C C . GLU A 1 93 ? -61.278 16.939 -41.299 1.00 59.24 ? 120 GLU A C 1 ATOM 671 O O . GLU A 1 93 ? -62.278 17.641 -41.170 1.00 60.05 ? 120 GLU A O 1 ATOM 672 C CB . GLU A 1 93 ? -59.278 18.405 -41.685 1.00 60.51 ? 120 GLU A CB 1 ATOM 673 C CG . GLU A 1 93 ? -58.059 18.757 -42.542 1.00 62.06 ? 120 GLU A CG 1 ATOM 674 C CD . GLU A 1 93 ? -56.935 17.730 -42.476 1.00 62.34 ? 120 GLU A CD 1 ATOM 675 O OE1 . GLU A 1 93 ? -57.062 16.699 -41.781 1.00 62.25 ? 120 GLU A OE1 1 ATOM 676 O OE2 . GLU A 1 93 ? -55.900 17.955 -43.132 1.00 64.88 ? 120 GLU A OE2 1 ATOM 677 N N . CYS A 1 94 ? -61.095 15.808 -40.625 1.00 58.27 ? 121 CYS A N 1 ATOM 678 C CA . CYS A 1 94 ? -62.021 15.364 -39.578 1.00 57.49 ? 121 CYS A CA 1 ATOM 679 C C . CYS A 1 94 ? -61.731 15.995 -38.219 1.00 54.12 ? 121 CYS A C 1 ATOM 680 O O . CYS A 1 94 ? -62.651 16.163 -37.434 1.00 53.30 ? 121 CYS A O 1 ATOM 681 C CB . CYS A 1 94 ? -61.990 13.841 -39.432 1.00 58.73 ? 121 CYS A CB 1 ATOM 682 S SG . CYS A 1 94 ? -62.713 12.946 -40.830 1.00 62.44 ? 121 CYS A SG 1 ATOM 683 N N . LEU A 1 95 ? -60.466 16.331 -37.954 1.00 51.48 ? 122 LEU A N 1 ATOM 684 C CA . LEU A 1 95 ? -60.023 16.826 -36.642 1.00 48.97 ? 122 LEU A CA 1 ATOM 685 C C . LEU A 1 95 ? -59.474 18.253 -36.748 1.00 48.50 ? 122 LEU A C 1 ATOM 686 O O . LEU A 1 95 ? -58.832 18.591 -37.743 1.00 48.86 ? 122 LEU A O 1 ATOM 687 C CB . LEU A 1 95 ? -58.950 15.897 -36.076 1.00 47.43 ? 122 LEU A CB 1 ATOM 688 C CG . LEU A 1 95 ? -59.357 14.427 -35.945 1.00 47.52 ? 122 LEU A CG 1 ATOM 689 C CD1 . LEU A 1 95 ? -58.142 13.546 -35.720 1.00 47.67 ? 122 LEU A CD1 1 ATOM 690 C CD2 . LEU A 1 95 ? -60.374 14.228 -34.835 1.00 46.87 ? 122 LEU A CD2 1 ATOM 691 N N . PRO A 1 96 ? -59.721 19.098 -35.724 1.00 47.60 ? 123 PRO A N 1 ATOM 692 C CA . PRO A 1 96 ? -59.210 20.470 -35.773 1.00 47.57 ? 123 PRO A CA 1 ATOM 693 C C . PRO A 1 96 ? -57.724 20.515 -35.479 1.00 46.47 ? 123 PRO A C 1 ATOM 694 O O . PRO A 1 96 ? -57.193 19.606 -34.835 1.00 45.24 ? 123 PRO A O 1 ATOM 695 C CB . PRO A 1 96 ? -59.989 21.170 -34.663 1.00 47.30 ? 123 PRO A CB 1 ATOM 696 C CG . PRO A 1 96 ? -60.226 20.100 -33.657 1.00 46.08 ? 123 PRO A CG 1 ATOM 697 C CD . PRO A 1 96 ? -60.421 18.830 -34.451 1.00 46.91 ? 123 PRO A CD 1 ATOM 698 N N . ALA A 1 97 ? -57.065 21.561 -35.962 1.00 47.33 ? 124 ALA A N 1 ATOM 699 C CA . ALA A 1 97 ? -55.657 21.800 -35.668 1.00 47.66 ? 124 ALA A CA 1 ATOM 700 C C . ALA A 1 97 ? -55.496 22.075 -34.181 1.00 46.97 ? 124 ALA A C 1 ATOM 701 O O . ALA A 1 97 ? -56.403 22.617 -33.546 1.00 47.23 ? 124 ALA A O 1 ATOM 702 C CB . ALA A 1 97 ? -55.133 22.982 -36.472 1.00 48.97 ? 124 ALA A CB 1 ATOM 703 N N . ALA A 1 98 ? -54.346 21.691 -33.636 1.00 46.45 ? 125 ALA A N 1 ATOM 704 C CA . ALA A 1 98 ? -54.021 21.953 -32.238 1.00 45.33 ? 125 ALA A CA 1 ATOM 705 C C . ALA A 1 98 ? -54.110 23.452 -31.960 1.00 45.51 ? 125 ALA A C 1 ATOM 706 O O . ALA A 1 98 ? -53.476 24.237 -32.657 1.00 46.79 ? 125 ALA A O 1 ATOM 707 C CB . ALA A 1 98 ? -52.621 21.447 -31.918 1.00 45.16 ? 125 ALA A CB 1 ATOM 708 N N . PRO A 1 99 ? -54.910 23.857 -30.958 1.00 45.01 ? 126 PRO A N 1 ATOM 709 C CA . PRO A 1 99 ? -54.856 25.251 -30.504 1.00 45.79 ? 126 PRO A CA 1 ATOM 710 C C . PRO A 1 99 ? -53.445 25.690 -30.099 1.00 46.43 ? 126 PRO A C 1 ATOM 711 O O . PRO A 1 99 ? -52.589 24.850 -29.801 1.00 45.32 ? 126 PRO A O 1 ATOM 712 C CB . PRO A 1 99 ? -55.774 25.258 -29.274 1.00 44.62 ? 126 PRO A CB 1 ATOM 713 C CG . PRO A 1 99 ? -56.733 24.145 -29.507 1.00 44.15 ? 126 PRO A CG 1 ATOM 714 C CD . PRO A 1 99 ? -55.964 23.091 -30.263 1.00 43.92 ? 126 PRO A CD 1 ATOM 715 N N . ASP A 1 100 ? -53.227 27.001 -30.090 1.00 47.93 ? 127 ASP A N 1 ATOM 716 C CA . ASP A 1 100 ? -51.962 27.594 -29.669 1.00 49.71 ? 127 ASP A CA 1 ATOM 717 C C . ASP A 1 100 ? -51.561 27.083 -28.274 1.00 48.69 ? 127 ASP A C 1 ATOM 718 O O . ASP A 1 100 ? -52.357 27.130 -27.335 1.00 46.65 ? 127 ASP A O 1 ATOM 719 C CB . ASP A 1 100 ? -52.098 29.121 -29.658 1.00 52.81 ? 127 ASP A CB 1 ATOM 720 C CG . ASP A 1 100 ? -50.767 29.848 -29.506 1.00 56.15 ? 127 ASP A CG 1 ATOM 721 O OD1 . ASP A 1 100 ? -49.692 29.209 -29.612 1.00 58.09 ? 127 ASP A OD1 1 ATOM 722 O OD2 . ASP A 1 100 ? -50.803 31.084 -29.296 1.00 58.20 ? 127 ASP A OD2 1 ATOM 723 N N . GLY A 1 101 ? -50.342 26.561 -28.165 1.00 48.57 ? 128 GLY A N 1 ATOM 724 C CA . GLY A 1 101 ? -49.801 26.093 -26.893 1.00 48.05 ? 128 GLY A CA 1 ATOM 725 C C . GLY A 1 101 ? -50.214 24.702 -26.445 1.00 46.84 ? 128 GLY A C 1 ATOM 726 O O . GLY A 1 101 ? -49.939 24.319 -25.306 1.00 45.82 ? 128 GLY A O 1 ATOM 727 N N . ILE A 1 102 ? -50.872 23.945 -27.321 1.00 47.16 ? 129 ILE A N 1 ATOM 728 C CA . ILE A 1 102 ? -51.160 22.540 -27.064 1.00 47.12 ? 129 ILE A CA 1 ATOM 729 C C . ILE A 1 102 ? -50.204 21.693 -27.905 1.00 47.54 ? 129 ILE A C 1 ATOM 730 O O . ILE A 1 102 ? -50.387 21.560 -29.106 1.00 50.38 ? 129 ILE A O 1 ATOM 731 C CB . ILE A 1 102 ? -52.634 22.200 -27.337 1.00 47.39 ? 129 ILE A CB 1 ATOM 732 C CG1 . ILE A 1 102 ? -53.528 23.122 -26.496 1.00 47.84 ? 129 ILE A CG1 1 ATOM 733 C CG2 . ILE A 1 102 ? -52.921 20.746 -26.974 1.00 47.61 ? 129 ILE A CG2 1 ATOM 734 C CD1 . ILE A 1 102 ? -54.992 22.724 -26.430 1.00 47.86 ? 129 ILE A CD1 1 ATOM 735 N N . ARG A 1 103 ? -49.173 21.159 -27.251 1.00 47.25 ? 130 ARG A N 1 ATOM 736 C CA . ARG A 1 103 ? -48.168 20.288 -27.857 1.00 47.28 ? 130 ARG A CA 1 ATOM 737 C C . ARG A 1 103 ? -48.440 18.844 -27.449 1.00 45.12 ? 130 ARG A C 1 ATOM 738 O O . ARG A 1 103 ? -49.227 18.589 -26.546 1.00 43.42 ? 130 ARG A O 1 ATOM 739 C CB . ARG A 1 103 ? -46.771 20.673 -27.374 1.00 49.59 ? 130 ARG A CB 1 ATOM 740 C CG . ARG A 1 103 ? -46.318 22.085 -27.717 1.00 51.87 ? 130 ARG A CG 1 ATOM 741 C CD . ARG A 1 103 ? -45.113 22.483 -26.877 1.00 53.77 ? 130 ARG A CD 1 ATOM 742 N NE . ARG A 1 103 ? -45.502 22.605 -25.475 1.00 54.73 ? 130 ARG A NE 1 ATOM 743 C CZ . ARG A 1 103 ? -46.110 23.664 -24.927 1.00 55.79 ? 130 ARG A CZ 1 ATOM 744 N NH1 . ARG A 1 103 ? -46.392 24.756 -25.644 1.00 56.84 ? 130 ARG A NH1 1 ATOM 745 N NH2 . ARG A 1 103 ? -46.434 23.635 -23.636 1.00 55.65 ? 130 ARG A NH2 1 ATOM 746 N N . GLY A 1 104 ? -47.758 17.903 -28.095 1.00 44.79 ? 131 GLY A N 1 ATOM 747 C CA . GLY A 1 104 ? -47.978 16.481 -27.852 1.00 43.63 ? 131 GLY A CA 1 ATOM 748 C C . GLY A 1 104 ? -47.552 16.008 -26.467 1.00 43.06 ? 131 GLY A C 1 ATOM 749 O O . GLY A 1 104 ? -46.762 16.656 -25.785 1.00 42.87 ? 131 GLY A O 1 ATOM 750 N N . PHE A 1 105 ? -48.094 14.867 -26.058 1.00 41.92 ? 132 PHE A N 1 ATOM 751 C CA . PHE A 1 105 ? -47.715 14.227 -24.800 1.00 41.68 ? 132 PHE A CA 1 ATOM 752 C C . PHE A 1 105 ? -46.204 13.964 -24.785 1.00 42.74 ? 132 PHE A C 1 ATOM 753 O O . PHE A 1 105 ? -45.686 13.391 -25.722 1.00 43.77 ? 132 PHE A O 1 ATOM 754 C CB . PHE A 1 105 ? -48.474 12.919 -24.641 1.00 41.10 ? 132 PHE A CB 1 ATOM 755 C CG . PHE A 1 105 ? -48.428 12.361 -23.254 1.00 40.90 ? 132 PHE A CG 1 ATOM 756 C CD1 . PHE A 1 105 ? -49.323 12.808 -22.293 1.00 39.75 ? 132 PHE A CD1 1 ATOM 757 C CD2 . PHE A 1 105 ? -47.509 11.376 -22.912 1.00 41.72 ? 132 PHE A CD2 1 ATOM 758 C CE1 . PHE A 1 105 ? -49.296 12.293 -21.015 1.00 40.08 ? 132 PHE A CE1 1 ATOM 759 C CE2 . PHE A 1 105 ? -47.476 10.858 -21.624 1.00 42.07 ? 132 PHE A CE2 1 ATOM 760 C CZ . PHE A 1 105 ? -48.374 11.318 -20.682 1.00 41.09 ? 132 PHE A CZ 1 ATOM 761 N N . PRO A 1 106 ? -45.498 14.383 -23.723 1.00 43.52 ? 133 PRO A N 1 ATOM 762 C CA . PRO A 1 106 ? -44.035 14.459 -23.792 1.00 44.98 ? 133 PRO A CA 1 ATOM 763 C C . PRO A 1 106 ? -43.220 13.158 -23.670 1.00 45.63 ? 133 PRO A C 1 ATOM 764 O O . PRO A 1 106 ? -42.027 13.180 -23.980 1.00 47.24 ? 133 PRO A O 1 ATOM 765 C CB . PRO A 1 106 ? -43.694 15.390 -22.623 1.00 45.57 ? 133 PRO A CB 1 ATOM 766 C CG . PRO A 1 106 ? -44.771 15.149 -21.633 1.00 44.36 ? 133 PRO A CG 1 ATOM 767 C CD . PRO A 1 106 ? -46.009 14.880 -22.430 1.00 43.16 ? 133 PRO A CD 1 ATOM 768 N N . ARG A 1 107 ? -43.822 12.066 -23.200 1.00 44.75 ? 134 ARG A N 1 ATOM 769 C CA . ARG A 1 107 ? -43.098 10.802 -22.983 1.00 45.93 ? 134 ARG A CA 1 ATOM 770 C C . ARG A 1 107 ? -43.912 9.609 -23.483 1.00 46.09 ? 134 ARG A C 1 ATOM 771 O O . ARG A 1 107 ? -44.805 9.133 -22.787 1.00 45.95 ? 134 ARG A O 1 ATOM 772 C CB . ARG A 1 107 ? -42.754 10.633 -21.494 1.00 46.19 ? 134 ARG A CB 1 ATOM 773 C CG . ARG A 1 107 ? -41.746 11.639 -20.946 1.00 46.56 ? 134 ARG A CG 1 ATOM 774 C CD . ARG A 1 107 ? -40.348 11.319 -21.434 1.00 48.36 ? 134 ARG A CD 1 ATOM 775 N NE . ARG A 1 107 ? -39.342 12.295 -21.017 1.00 49.55 ? 134 ARG A NE 1 ATOM 776 C CZ . ARG A 1 107 ? -39.087 13.458 -21.617 1.00 49.32 ? 134 ARG A CZ 1 ATOM 777 N NH1 . ARG A 1 107 ? -38.128 14.239 -21.130 1.00 50.77 ? 134 ARG A NH1 1 ATOM 778 N NH2 . ARG A 1 107 ? -39.775 13.858 -22.688 1.00 47.99 ? 134 ARG A NH2 1 ATOM 779 N N . CYS A 1 108 ? -43.608 9.166 -24.708 1.00 47.29 ? 135 CYS A N 1 ATOM 780 C CA . CYS A 1 108 ? -44.250 8.028 -25.361 1.00 47.64 ? 135 CYS A CA 1 ATOM 781 C C . CYS A 1 108 ? -43.182 7.075 -25.873 1.00 48.87 ? 135 CYS A C 1 ATOM 782 O O . CYS A 1 108 ? -42.278 7.500 -26.601 1.00 49.68 ? 135 CYS A O 1 ATOM 783 C CB . CYS A 1 108 ? -45.070 8.507 -26.557 1.00 47.83 ? 135 CYS A CB 1 ATOM 784 S SG . CYS A 1 108 ? -46.281 9.785 -26.176 1.00 48.95 ? 135 CYS A SG 1 ATOM 785 N N . ARG A 1 109 ? -43.274 5.797 -25.509 1.00 48.76 ? 136 ARG A N 1 ATOM 786 C CA . ARG A 1 109 ? -42.355 4.790 -26.054 1.00 50.79 ? 136 ARG A CA 1 ATOM 787 C C . ARG A 1 109 ? -42.718 4.472 -27.509 1.00 50.12 ? 136 ARG A C 1 ATOM 788 O O . ARG A 1 109 ? -41.839 4.413 -28.362 1.00 51.11 ? 136 ARG A O 1 ATOM 789 C CB . ARG A 1 109 ? -42.350 3.512 -25.204 1.00 52.30 ? 136 ARG A CB 1 ATOM 790 C CG . ARG A 1 109 ? -41.391 2.417 -25.670 1.00 54.66 ? 136 ARG A CG 1 ATOM 791 C CD . ARG A 1 109 ? -39.925 2.801 -25.519 1.00 56.78 ? 136 ARG A CD 1 ATOM 792 N NE . ARG A 1 109 ? -39.052 1.910 -26.291 1.00 59.60 ? 136 ARG A NE 1 ATOM 793 C CZ . ARG A 1 109 ? -38.846 1.979 -27.612 1.00 59.75 ? 136 ARG A CZ 1 ATOM 794 N NH1 . ARG A 1 109 ? -38.032 1.102 -28.184 1.00 62.10 ? 136 ARG A NH1 1 ATOM 795 N NH2 . ARG A 1 109 ? -39.443 2.908 -28.372 1.00 58.09 ? 136 ARG A NH2 1 ATOM 796 N N . TYR A 1 110 ? -44.011 4.277 -27.764 1.00 48.47 ? 137 TYR A N 1 ATOM 797 C CA . TYR A 1 110 ? -44.542 4.036 -29.094 1.00 48.38 ? 137 TYR A CA 1 ATOM 798 C C . TYR A 1 110 ? -45.601 5.072 -29.428 1.00 46.98 ? 137 TYR A C 1 ATOM 799 O O . TYR A 1 110 ? -46.553 5.241 -28.666 1.00 47.27 ? 137 TYR A O 1 ATOM 800 C CB . TYR A 1 110 ? -45.165 2.646 -29.163 1.00 48.92 ? 137 TYR A CB 1 ATOM 801 C CG . TYR A 1 110 ? -44.191 1.555 -28.810 1.00 51.01 ? 137 TYR A CG 1 ATOM 802 C CD1 . TYR A 1 110 ? -43.078 1.309 -29.611 1.00 52.63 ? 137 TYR A CD1 1 ATOM 803 C CD2 . TYR A 1 110 ? -44.367 0.778 -27.666 1.00 51.44 ? 137 TYR A CD2 1 ATOM 804 C CE1 . TYR A 1 110 ? -42.171 0.314 -29.285 1.00 54.90 ? 137 TYR A CE1 1 ATOM 805 C CE2 . TYR A 1 110 ? -43.467 -0.216 -27.331 1.00 53.61 ? 137 TYR A CE2 1 ATOM 806 C CZ . TYR A 1 110 ? -42.373 -0.450 -28.141 1.00 55.31 ? 137 TYR A CZ 1 ATOM 807 O OH . TYR A 1 110 ? -41.484 -1.442 -27.808 1.00 57.37 ? 137 TYR A OH 1 ATOM 808 N N . VAL A 1 111 ? -45.432 5.768 -30.551 1.00 46.59 ? 138 VAL A N 1 ATOM 809 C CA . VAL A 1 111 ? -46.458 6.669 -31.066 1.00 45.53 ? 138 VAL A CA 1 ATOM 810 C C . VAL A 1 111 ? -47.137 5.956 -32.221 1.00 46.26 ? 138 VAL A C 1 ATOM 811 O O . VAL A 1 111 ? -46.520 5.708 -33.253 1.00 47.55 ? 138 VAL A O 1 ATOM 812 C CB . VAL A 1 111 ? -45.882 8.021 -31.536 1.00 45.19 ? 138 VAL A CB 1 ATOM 813 C CG1 . VAL A 1 111 ? -46.993 8.919 -32.087 1.00 43.93 ? 138 VAL A CG1 1 ATOM 814 C CG2 . VAL A 1 111 ? -45.150 8.707 -30.387 1.00 44.95 ? 138 VAL A CG2 1 ATOM 815 N N . HIS A 1 112 ? -48.399 5.600 -32.022 1.00 46.30 ? 139 HIS A N 1 ATOM 816 C CA . HIS A 1 112 ? -49.185 4.936 -33.042 1.00 47.43 ? 139 HIS A CA 1 ATOM 817 C C . HIS A 1 112 ? -49.810 6.024 -33.902 1.00 47.67 ? 139 HIS A C 1 ATOM 818 O O . HIS A 1 112 ? -50.804 6.643 -33.513 1.00 46.05 ? 139 HIS A O 1 ATOM 819 C CB . HIS A 1 112 ? -50.249 4.038 -32.416 1.00 47.41 ? 139 HIS A CB 1 ATOM 820 C CG . HIS A 1 112 ? -49.695 2.996 -31.493 1.00 48.44 ? 139 HIS A CG 1 ATOM 821 N ND1 . HIS A 1 112 ? -49.288 1.756 -31.929 1.00 50.02 ? 139 HIS A ND1 1 ATOM 822 C CD2 . HIS A 1 112 ? -49.487 3.010 -30.155 1.00 48.27 ? 139 HIS A CD2 1 ATOM 823 C CE1 . HIS A 1 112 ? -48.849 1.052 -30.904 1.00 50.70 ? 139 HIS A CE1 1 ATOM 824 N NE2 . HIS A 1 112 ? -48.958 1.791 -29.815 1.00 49.65 ? 139 HIS A NE2 1 ATOM 825 N N . LYS A 1 113 ? -49.195 6.266 -35.061 1.00 49.43 ? 140 LYS A N 1 ATOM 826 C CA . LYS A 1 113 ? -49.616 7.327 -35.968 1.00 50.86 ? 140 LYS A CA 1 ATOM 827 C C . LYS A 1 113 ? -50.539 6.769 -37.054 1.00 51.18 ? 140 LYS A C 1 ATOM 828 O O . LYS A 1 113 ? -50.098 6.014 -37.912 1.00 52.37 ? 140 LYS A O 1 ATOM 829 C CB . LYS A 1 113 ? -48.393 7.994 -36.588 1.00 54.19 ? 140 LYS A CB 1 ATOM 830 C CG . LYS A 1 113 ? -48.730 9.094 -37.579 1.00 56.75 ? 140 LYS A CG 1 ATOM 831 C CD . LYS A 1 113 ? -47.635 10.145 -37.656 1.00 59.22 ? 140 LYS A CD 1 ATOM 832 C CE . LYS A 1 113 ? -48.033 11.240 -38.631 1.00 62.02 ? 140 LYS A CE 1 ATOM 833 N NZ . LYS A 1 113 ? -47.010 12.321 -38.690 1.00 64.42 ? 140 LYS A NZ 1 ATOM 834 N N . VAL A 1 114 ? -51.815 7.141 -37.002 1.00 50.19 ? 141 VAL A N 1 ATOM 835 C CA . VAL A 1 114 ? -52.835 6.603 -37.892 1.00 51.00 ? 141 VAL A CA 1 ATOM 836 C C . VAL A 1 114 ? -53.236 7.669 -38.899 1.00 52.20 ? 141 VAL A C 1 ATOM 837 O O . VAL A 1 114 ? -53.587 8.782 -38.518 1.00 51.03 ? 141 VAL A O 1 ATOM 838 C CB . VAL A 1 114 ? -54.089 6.144 -37.112 1.00 50.36 ? 141 VAL A CB 1 ATOM 839 C CG1 . VAL A 1 114 ? -55.114 5.503 -38.046 1.00 51.61 ? 141 VAL A CG1 1 ATOM 840 C CG2 . VAL A 1 114 ? -53.703 5.181 -35.993 1.00 49.98 ? 141 VAL A CG2 1 ATOM 841 N N . SER A 1 115 ? -53.166 7.316 -40.185 1.00 54.80 ? 142 SER A N 1 ATOM 842 C CA . SER A 1 115 ? -53.654 8.160 -41.276 1.00 56.64 ? 142 SER A CA 1 ATOM 843 C C . SER A 1 115 ? -54.755 7.410 -42.006 1.00 57.53 ? 142 SER A C 1 ATOM 844 O O . SER A 1 115 ? -54.726 6.189 -42.079 1.00 58.93 ? 142 SER A O 1 ATOM 845 C CB . SER A 1 115 ? -52.520 8.503 -42.244 1.00 58.50 ? 142 SER A CB 1 ATOM 846 O OG . SER A 1 115 ? -51.420 9.051 -41.532 1.00 59.27 ? 142 SER A OG 1 ATOM 847 N N . GLY A 1 116 ? -55.737 8.129 -42.531 1.00 57.45 ? 143 GLY A N 1 ATOM 848 C CA . GLY A 1 116 ? -56.799 7.477 -43.278 1.00 58.87 ? 143 GLY A CA 1 ATOM 849 C C . GLY A 1 116 ? -58.099 8.235 -43.343 1.00 58.71 ? 143 GLY A C 1 ATOM 850 O O . GLY A 1 116 ? -58.129 9.454 -43.194 1.00 57.41 ? 143 GLY A O 1 ATOM 851 N N . THR A 1 117 ? -59.178 7.486 -43.558 1.00 59.95 ? 144 THR A N 1 ATOM 852 C CA . THR A 1 117 ? -60.485 8.060 -43.821 1.00 60.69 ? 144 THR A CA 1 ATOM 853 C C . THR A 1 117 ? -61.592 7.439 -42.978 1.00 60.64 ? 144 THR A C 1 ATOM 854 O O . THR A 1 117 ? -61.514 6.274 -42.587 1.00 60.42 ? 144 THR A O 1 ATOM 855 C CB . THR A 1 117 ? -60.863 7.895 -45.304 1.00 63.07 ? 144 THR A CB 1 ATOM 856 O OG1 . THR A 1 117 ? -60.850 6.502 -45.644 1.00 64.21 ? 144 THR A OG1 1 ATOM 857 C CG2 . THR A 1 117 ? -59.888 8.658 -46.201 1.00 63.32 ? 144 THR A CG2 1 ATOM 858 N N . GLY A 1 118 ? -62.626 8.237 -42.718 1.00 61.05 ? 145 GLY A N 1 ATOM 859 C CA . GLY A 1 118 ? -63.854 7.767 -42.074 1.00 61.79 ? 145 GLY A CA 1 ATOM 860 C C . GLY A 1 118 ? -64.987 8.743 -42.344 1.00 63.27 ? 145 GLY A C 1 ATOM 861 O O . GLY A 1 118 ? -64.749 9.819 -42.890 1.00 63.43 ? 145 GLY A O 1 ATOM 862 N N . PRO A 1 119 ? -66.227 8.376 -41.974 1.00 65.09 ? 146 PRO A N 1 ATOM 863 C CA . PRO A 1 119 ? -67.342 9.315 -42.126 1.00 66.80 ? 146 PRO A CA 1 ATOM 864 C C . PRO A 1 119 ? -67.310 10.503 -41.142 1.00 65.91 ? 146 PRO A C 1 ATOM 865 O O . PRO A 1 119 ? -67.842 11.561 -41.474 1.00 67.24 ? 146 PRO A O 1 ATOM 866 C CB . PRO A 1 119 ? -68.578 8.438 -41.905 1.00 68.20 ? 146 PRO A CB 1 ATOM 867 C CG . PRO A 1 119 ? -68.100 7.313 -41.061 1.00 67.14 ? 146 PRO A CG 1 ATOM 868 C CD . PRO A 1 119 ? -66.669 7.075 -41.441 1.00 65.86 ? 146 PRO A CD 1 ATOM 869 N N . CYS A 1 120 ? -66.706 10.336 -39.962 1.00 64.77 ? 147 CYS A N 1 ATOM 870 C CA . CYS A 1 120 ? -66.500 11.449 -39.015 1.00 63.94 ? 147 CYS A CA 1 ATOM 871 C C . CYS A 1 120 ? -67.776 12.269 -38.797 1.00 63.66 ? 147 CYS A C 1 ATOM 872 O O . CYS A 1 120 ? -67.803 13.477 -39.055 1.00 63.09 ? 147 CYS A O 1 ATOM 873 C CB . CYS A 1 120 ? -65.374 12.360 -39.514 1.00 64.48 ? 147 CYS A CB 1 ATOM 874 S SG . CYS A 1 120 ? -63.816 11.514 -39.871 1.00 67.25 ? 147 CYS A SG 1 ATOM 875 N N . ALA A 1 121 ? -68.831 11.600 -38.333 1.00 63.69 ? 148 ALA A N 1 ATOM 876 C CA . ALA A 1 121 ? -70.169 12.198 -38.266 1.00 64.67 ? 148 ALA A CA 1 ATOM 877 C C . ALA A 1 121 ? -70.368 13.013 -36.978 1.00 62.30 ? 148 ALA A C 1 ATOM 878 O O . ALA A 1 121 ? -71.167 12.654 -36.113 1.00 63.77 ? 148 ALA A O 1 ATOM 879 C CB . ALA A 1 121 ? -71.236 11.117 -38.409 1.00 66.56 ? 148 ALA A CB 1 ATOM 880 N N . GLY A 1 122 ? -69.647 14.127 -36.886 1.00 59.63 ? 149 GLY A N 1 ATOM 881 C CA . GLY A 1 122 ? -69.656 14.991 -35.709 1.00 57.12 ? 149 GLY A CA 1 ATOM 882 C C . GLY A 1 122 ? -68.481 15.951 -35.748 1.00 54.97 ? 149 GLY A C 1 ATOM 883 O O . GLY A 1 122 ? -67.449 15.644 -36.345 1.00 53.77 ? 149 GLY A O 1 ATOM 884 N N . ASP A 1 123 ? -68.634 17.103 -35.099 1.00 53.77 ? 150 ASP A N 1 ATOM 885 C CA . ASP A 1 123 ? -67.634 18.180 -35.168 1.00 52.30 ? 150 ASP A CA 1 ATOM 886 C C . ASP A 1 123 ? -66.350 17.921 -34.383 1.00 49.55 ? 150 ASP A C 1 ATOM 887 O O . ASP A 1 123 ? -65.295 18.433 -34.752 1.00 49.37 ? 150 ASP A O 1 ATOM 888 C CB . ASP A 1 123 ? -68.239 19.505 -34.690 1.00 53.08 ? 150 ASP A CB 1 ATOM 889 C CG . ASP A 1 123 ? -69.343 20.010 -35.596 1.00 55.50 ? 150 ASP A CG 1 ATOM 890 O OD1 . ASP A 1 123 ? -69.418 19.586 -36.770 1.00 57.82 ? 150 ASP A OD1 1 ATOM 891 O OD2 . ASP A 1 123 ? -70.140 20.846 -35.128 1.00 56.40 ? 150 ASP A OD2 1 ATOM 892 N N . PHE A 1 124 ? -66.445 17.174 -33.285 1.00 47.78 ? 151 PHE A N 1 ATOM 893 C CA . PHE A 1 124 ? -65.279 16.839 -32.467 1.00 45.30 ? 151 PHE A CA 1 ATOM 894 C C . PHE A 1 124 ? -65.305 15.368 -32.081 1.00 44.36 ? 151 PHE A C 1 ATOM 895 O O . PHE A 1 124 ? -66.377 14.771 -32.000 1.00 44.19 ? 151 PHE A O 1 ATOM 896 C CB . PHE A 1 124 ? -65.231 17.708 -31.209 1.00 44.43 ? 151 PHE A CB 1 ATOM 897 C CG . PHE A 1 124 ? -65.070 19.176 -31.487 1.00 44.47 ? 151 PHE A CG 1 ATOM 898 C CD1 . PHE A 1 124 ? -63.810 19.727 -31.681 1.00 43.98 ? 151 PHE A CD1 1 ATOM 899 C CD2 . PHE A 1 124 ? -66.176 20.012 -31.543 1.00 45.57 ? 151 PHE A CD2 1 ATOM 900 C CE1 . PHE A 1 124 ? -63.660 21.082 -31.932 1.00 44.28 ? 151 PHE A CE1 1 ATOM 901 C CE2 . PHE A 1 124 ? -66.031 21.371 -31.787 1.00 45.90 ? 151 PHE A CE2 1 ATOM 902 C CZ . PHE A 1 124 ? -64.774 21.904 -31.990 1.00 45.29 ? 151 PHE A CZ 1 ATOM 903 N N . ALA A 1 125 ? -64.118 14.811 -31.840 1.00 43.21 ? 152 ALA A N 1 ATOM 904 C CA . ALA A 1 125 ? -63.951 13.428 -31.414 1.00 43.28 ? 152 ALA A CA 1 ATOM 905 C C . ALA A 1 125 ? -63.720 13.395 -29.908 1.00 42.89 ? 152 ALA A C 1 ATOM 906 O O . ALA A 1 125 ? -62.760 13.990 -29.427 1.00 41.82 ? 152 ALA A O 1 ATOM 907 C CB . ALA A 1 125 ? -62.768 12.800 -32.125 1.00 43.31 ? 152 ALA A CB 1 ATOM 908 N N . PHE A 1 126 ? -64.594 12.692 -29.186 1.00 43.60 ? 153 PHE A N 1 ATOM 909 C CA . PHE A 1 126 ? -64.554 12.577 -27.722 1.00 42.75 ? 153 PHE A CA 1 ATOM 910 C C . PHE A 1 126 ? -64.252 11.147 -27.297 1.00 43.44 ? 153 PHE A C 1 ATOM 911 O O . PHE A 1 126 ? -64.340 10.214 -28.102 1.00 43.79 ? 153 PHE A O 1 ATOM 912 C CB . PHE A 1 126 ? -65.914 12.937 -27.135 1.00 43.58 ? 153 PHE A CB 1 ATOM 913 C CG . PHE A 1 126 ? -66.309 14.361 -27.354 1.00 43.87 ? 153 PHE A CG 1 ATOM 914 C CD1 . PHE A 1 126 ? -66.888 14.757 -28.560 1.00 44.49 ? 153 PHE A CD1 1 ATOM 915 C CD2 . PHE A 1 126 ? -66.108 15.317 -26.355 1.00 43.02 ? 153 PHE A CD2 1 ATOM 916 C CE1 . PHE A 1 126 ? -67.255 16.075 -28.766 1.00 44.76 ? 153 PHE A CE1 1 ATOM 917 C CE2 . PHE A 1 126 ? -66.477 16.638 -26.558 1.00 43.06 ? 153 PHE A CE2 1 ATOM 918 C CZ . PHE A 1 126 ? -67.049 17.018 -27.764 1.00 44.23 ? 153 PHE A CZ 1 ATOM 919 N N . HIS A 1 127 ? -63.922 10.987 -26.017 1.00 43.12 ? 154 HIS A N 1 ATOM 920 C CA . HIS A 1 127 ? -63.705 9.674 -25.414 1.00 44.05 ? 154 HIS A CA 1 ATOM 921 C C . HIS A 1 127 ? -65.063 9.132 -24.958 1.00 46.25 ? 154 HIS A C 1 ATOM 922 O O . HIS A 1 127 ? -65.763 9.790 -24.205 1.00 47.37 ? 154 HIS A O 1 ATOM 923 C CB . HIS A 1 127 ? -62.725 9.792 -24.242 1.00 43.20 ? 154 HIS A CB 1 ATOM 924 C CG . HIS A 1 127 ? -61.985 8.530 -23.945 1.00 43.52 ? 154 HIS A CG 1 ATOM 925 N ND1 . HIS A 1 127 ? -62.549 7.483 -23.253 1.00 44.86 ? 154 HIS A ND1 1 ATOM 926 C CD2 . HIS A 1 127 ? -60.726 8.143 -24.248 1.00 43.50 ? 154 HIS A CD2 1 ATOM 927 C CE1 . HIS A 1 127 ? -61.671 6.505 -23.140 1.00 45.24 ? 154 HIS A CE1 1 ATOM 928 N NE2 . HIS A 1 127 ? -60.556 6.879 -23.738 1.00 44.41 ? 154 HIS A NE2 1 ATOM 929 N N . LYS A 1 128 ? -65.438 7.945 -25.425 1.00 48.02 ? 155 LYS A N 1 ATOM 930 C CA . LYS A 1 128 ? -66.753 7.361 -25.125 1.00 50.62 ? 155 LYS A CA 1 ATOM 931 C C . LYS A 1 128 ? -66.954 6.952 -23.657 1.00 50.76 ? 155 LYS A C 1 ATOM 932 O O . LYS A 1 128 ? -68.080 6.797 -23.207 1.00 51.72 ? 155 LYS A O 1 ATOM 933 C CB . LYS A 1 128 ? -67.010 6.142 -26.017 1.00 52.79 ? 155 LYS A CB 1 ATOM 934 C CG . LYS A 1 128 ? -67.152 6.457 -27.499 1.00 53.88 ? 155 LYS A CG 1 ATOM 935 C CD . LYS A 1 128 ? -67.623 5.220 -28.259 1.00 56.50 ? 155 LYS A CD 1 ATOM 936 C CE . LYS A 1 128 ? -67.841 5.496 -29.734 1.00 57.85 ? 155 LYS A CE 1 ATOM 937 N NZ . LYS A 1 128 ? -68.398 4.308 -30.449 1.00 60.60 ? 155 LYS A NZ 1 ATOM 938 N N . GLU A 1 129 ? -65.857 6.735 -22.946 1.00 50.33 ? 156 GLU A N 1 ATOM 939 C CA . GLU A 1 129 ? -65.862 6.427 -21.512 1.00 51.26 ? 156 GLU A CA 1 ATOM 940 C C . GLU A 1 129 ? -65.649 7.645 -20.589 1.00 49.92 ? 156 GLU A C 1 ATOM 941 O O . GLU A 1 129 ? -65.529 7.494 -19.372 1.00 50.56 ? 156 GLU A O 1 ATOM 942 C CB . GLU A 1 129 ? -64.831 5.321 -21.249 1.00 52.39 ? 156 GLU A CB 1 ATOM 943 C CG . GLU A 1 129 ? -65.193 4.031 -22.000 1.00 55.02 ? 156 GLU A CG 1 ATOM 944 C CD . GLU A 1 129 ? -64.062 3.023 -22.145 1.00 56.45 ? 156 GLU A CD 1 ATOM 945 O OE1 . GLU A 1 129 ? -64.301 1.966 -22.775 1.00 59.56 ? 156 GLU A OE1 1 ATOM 946 O OE2 . GLU A 1 129 ? -62.941 3.265 -21.655 1.00 56.83 ? 156 GLU A OE2 1 ATOM 947 N N . GLY A 1 130 ? -65.626 8.849 -21.159 1.00 47.86 ? 157 GLY A N 1 ATOM 948 C CA . GLY A 1 130 ? -65.475 10.078 -20.379 1.00 46.29 ? 157 GLY A CA 1 ATOM 949 C C . GLY A 1 130 ? -64.059 10.413 -19.938 1.00 44.04 ? 157 GLY A C 1 ATOM 950 O O . GLY A 1 130 ? -63.862 11.350 -19.172 1.00 41.98 ? 157 GLY A O 1 ATOM 951 N N . ALA A 1 131 ? -63.070 9.673 -20.435 1.00 42.93 ? 158 ALA A N 1 ATOM 952 C CA . ALA A 1 131 ? -61.684 9.968 -20.135 1.00 41.65 ? 158 ALA A CA 1 ATOM 953 C C . ALA A 1 131 ? -61.226 11.189 -20.930 1.00 40.81 ? 158 ALA A C 1 ATOM 954 O O . ALA A 1 131 ? -61.994 11.778 -21.716 1.00 40.46 ? 158 ALA A O 1 ATOM 955 C CB . ALA A 1 131 ? -60.805 8.764 -20.433 1.00 42.10 ? 158 ALA A CB 1 ATOM 956 N N . PHE A 1 132 ? -59.981 11.583 -20.687 1.00 40.09 ? 159 PHE A N 1 ATOM 957 C CA . PHE A 1 132 ? -59.383 12.719 -21.349 1.00 39.60 ? 159 PHE A CA 1 ATOM 958 C C . PHE A 1 132 ? -58.325 12.277 -22.332 1.00 39.64 ? 159 PHE A C 1 ATOM 959 O O . PHE A 1 132 ? -57.787 11.164 -22.251 1.00 40.48 ? 159 PHE A O 1 ATOM 960 C CB . PHE A 1 132 ? -58.743 13.656 -20.324 1.00 39.24 ? 159 PHE A CB 1 ATOM 961 C CG . PHE A 1 132 ? -59.735 14.318 -19.418 1.00 40.19 ? 159 PHE A CG 1 ATOM 962 C CD1 . PHE A 1 132 ? -60.393 15.479 -19.816 1.00 40.20 ? 159 PHE A CD1 1 ATOM 963 C CD2 . PHE A 1 132 ? -60.022 13.784 -18.166 1.00 41.12 ? 159 PHE A CD2 1 ATOM 964 C CE1 . PHE A 1 132 ? -61.318 16.093 -18.982 1.00 40.43 ? 159 PHE A CE1 1 ATOM 965 C CE2 . PHE A 1 132 ? -60.944 14.400 -17.329 1.00 41.45 ? 159 PHE A CE2 1 ATOM 966 C CZ . PHE A 1 132 ? -61.593 15.552 -17.743 1.00 40.98 ? 159 PHE A CZ 1 ATOM 967 N N . PHE A 1 133 ? -58.020 13.189 -23.245 1.00 38.43 ? 160 PHE A N 1 ATOM 968 C CA . PHE A 1 133 ? -56.868 13.071 -24.099 1.00 38.11 ? 160 PHE A CA 1 ATOM 969 C C . PHE A 1 133 ? -55.806 13.957 -23.488 1.00 37.27 ? 160 PHE A C 1 ATOM 970 O O . PHE A 1 133 ? -55.999 15.163 -23.364 1.00 37.16 ? 160 PHE A O 1 ATOM 971 C CB . PHE A 1 133 ? -57.257 13.477 -25.518 1.00 38.05 ? 160 PHE A CB 1 ATOM 972 C CG . PHE A 1 133 ? -58.404 12.671 -26.048 1.00 38.30 ? 160 PHE A CG 1 ATOM 973 C CD1 . PHE A 1 133 ? -58.204 11.358 -26.460 1.00 39.35 ? 160 PHE A CD1 1 ATOM 974 C CD2 . PHE A 1 133 ? -59.687 13.189 -26.079 1.00 38.36 ? 160 PHE A CD2 1 ATOM 975 C CE1 . PHE A 1 133 ? -59.262 10.586 -26.926 1.00 39.81 ? 160 PHE A CE1 1 ATOM 976 C CE2 . PHE A 1 133 ? -60.751 12.428 -26.548 1.00 38.97 ? 160 PHE A CE2 1 ATOM 977 C CZ . PHE A 1 133 ? -60.538 11.123 -26.968 1.00 39.89 ? 160 PHE A CZ 1 ATOM 978 N N . LEU A 1 134 ? -54.706 13.340 -23.067 1.00 37.40 ? 161 LEU A N 1 ATOM 979 C CA . LEU A 1 134 ? -53.638 14.028 -22.362 1.00 36.96 ? 161 LEU A CA 1 ATOM 980 C C . LEU A 1 134 ? -52.595 14.483 -23.366 1.00 37.94 ? 161 LEU A C 1 ATOM 981 O O . LEU A 1 134 ? -52.068 13.679 -24.142 1.00 38.09 ? 161 LEU A O 1 ATOM 982 C CB . LEU A 1 134 ? -52.991 13.105 -21.333 1.00 37.36 ? 161 LEU A CB 1 ATOM 983 C CG . LEU A 1 134 ? -53.896 12.534 -20.229 1.00 37.81 ? 161 LEU A CG 1 ATOM 984 C CD1 . LEU A 1 134 ? -53.062 11.766 -19.212 1.00 38.66 ? 161 LEU A CD1 1 ATOM 985 C CD2 . LEU A 1 134 ? -54.686 13.630 -19.524 1.00 37.47 ? 161 LEU A CD2 1 ATOM 986 N N . TYR A 1 135 ? -52.306 15.779 -23.334 1.00 37.93 ? 162 TYR A N 1 ATOM 987 C CA . TYR A 1 135 ? -51.311 16.406 -24.171 1.00 38.46 ? 162 TYR A CA 1 ATOM 988 C C . TYR A 1 135 ? -50.220 16.899 -23.228 1.00 38.95 ? 162 TYR A C 1 ATOM 989 O O . TYR A 1 135 ? -50.110 16.368 -22.131 1.00 39.34 ? 162 TYR A O 1 ATOM 990 C CB . TYR A 1 135 ? -51.975 17.532 -24.959 1.00 38.55 ? 162 TYR A CB 1 ATOM 991 C CG . TYR A 1 135 ? -53.067 17.045 -25.878 1.00 38.52 ? 162 TYR A CG 1 ATOM 992 C CD1 . TYR A 1 135 ? -52.760 16.461 -27.102 1.00 39.08 ? 162 TYR A CD1 1 ATOM 993 C CD2 . TYR A 1 135 ? -54.401 17.178 -25.536 1.00 38.13 ? 162 TYR A CD2 1 ATOM 994 C CE1 . TYR A 1 135 ? -53.753 16.021 -27.962 1.00 39.05 ? 162 TYR A CE1 1 ATOM 995 C CE2 . TYR A 1 135 ? -55.398 16.741 -26.388 1.00 38.55 ? 162 TYR A CE2 1 ATOM 996 C CZ . TYR A 1 135 ? -55.067 16.160 -27.597 1.00 38.76 ? 162 TYR A CZ 1 ATOM 997 O OH . TYR A 1 135 ? -56.062 15.732 -28.429 1.00 38.67 ? 162 TYR A OH 1 ATOM 998 N N . ASP A 1 136 ? -49.402 17.868 -23.641 1.00 39.44 ? 163 ASP A N 1 ATOM 999 C CA . ASP A 1 136 ? -48.353 18.413 -22.781 1.00 41.05 ? 163 ASP A CA 1 ATOM 1000 C C . ASP A 1 136 ? -48.932 19.283 -21.646 1.00 40.82 ? 163 ASP A C 1 ATOM 1001 O O . ASP A 1 136 ? -49.098 20.489 -21.791 1.00 40.86 ? 163 ASP A O 1 ATOM 1002 C CB . ASP A 1 136 ? -47.337 19.206 -23.616 1.00 42.14 ? 163 ASP A CB 1 ATOM 1003 C CG . ASP A 1 136 ? -46.205 19.771 -22.787 1.00 44.07 ? 163 ASP A CG 1 ATOM 1004 O OD1 . ASP A 1 136 ? -45.581 20.766 -23.229 1.00 45.14 ? 163 ASP A OD1 1 ATOM 1005 O OD2 . ASP A 1 136 ? -45.923 19.225 -21.691 1.00 44.78 ? 163 ASP A OD2 1 ATOM 1006 N N . ARG A 1 137 ? -49.239 18.646 -20.520 1.00 40.84 ? 164 ARG A N 1 ATOM 1007 C CA . ARG A 1 137 ? -49.732 19.336 -19.314 1.00 40.73 ? 164 ARG A CA 1 ATOM 1008 C C . ARG A 1 137 ? -51.071 20.055 -19.501 1.00 39.64 ? 164 ARG A C 1 ATOM 1009 O O . ARG A 1 137 ? -51.420 20.961 -18.731 1.00 39.11 ? 164 ARG A O 1 ATOM 1010 C CB . ARG A 1 137 ? -48.662 20.274 -18.760 1.00 42.20 ? 164 ARG A CB 1 ATOM 1011 C CG . ARG A 1 137 ? -47.428 19.516 -18.308 1.00 44.09 ? 164 ARG A CG 1 ATOM 1012 C CD . ARG A 1 137 ? -46.266 20.462 -18.087 1.00 46.24 ? 164 ARG A CD 1 ATOM 1013 N NE . ARG A 1 137 ? -45.767 20.949 -19.372 1.00 47.04 ? 164 ARG A NE 1 ATOM 1014 C CZ . ARG A 1 137 ? -45.171 22.120 -19.574 1.00 48.75 ? 164 ARG A CZ 1 ATOM 1015 N NH1 . ARG A 1 137 ? -44.776 22.447 -20.807 1.00 49.33 ? 164 ARG A NH1 1 ATOM 1016 N NH2 . ARG A 1 137 ? -44.970 22.978 -18.573 1.00 49.39 ? 164 ARG A NH2 1 ATOM 1017 N N . LEU A 1 138 ? -51.815 19.614 -20.514 1.00 38.59 ? 165 LEU A N 1 ATOM 1018 C CA . LEU A 1 138 ? -53.162 20.065 -20.792 1.00 38.30 ? 165 LEU A CA 1 ATOM 1019 C C . LEU A 1 138 ? -53.940 18.818 -21.177 1.00 38.12 ? 165 LEU A C 1 ATOM 1020 O O . LEU A 1 138 ? -53.492 18.049 -22.029 1.00 37.91 ? 165 LEU A O 1 ATOM 1021 C CB . LEU A 1 138 ? -53.177 21.080 -21.937 1.00 38.67 ? 165 LEU A CB 1 ATOM 1022 C CG . LEU A 1 138 ? -52.558 22.444 -21.624 1.00 39.68 ? 165 LEU A CG 1 ATOM 1023 C CD1 . LEU A 1 138 ? -52.347 23.285 -22.875 1.00 40.32 ? 165 LEU A CD1 1 ATOM 1024 C CD2 . LEU A 1 138 ? -53.422 23.197 -20.624 1.00 39.90 ? 165 LEU A CD2 1 ATOM 1025 N N . ALA A 1 139 ? -55.076 18.607 -20.517 1.00 38.16 ? 166 ALA A N 1 ATOM 1026 C CA . ALA A 1 139 ? -55.972 17.499 -20.802 1.00 38.49 ? 166 ALA A CA 1 ATOM 1027 C C . ALA A 1 139 ? -57.176 18.079 -21.494 1.00 39.17 ? 166 ALA A C 1 ATOM 1028 O O . ALA A 1 139 ? -57.728 19.078 -21.019 1.00 40.40 ? 166 ALA A O 1 ATOM 1029 C CB . ALA A 1 139 ? -56.400 16.821 -19.513 1.00 38.82 ? 166 ALA A CB 1 ATOM 1030 N N . SER A 1 140 ? -57.590 17.455 -22.597 1.00 39.06 ? 167 SER A N 1 ATOM 1031 C CA . SER A 1 140 ? -58.727 17.923 -23.384 1.00 38.61 ? 167 SER A CA 1 ATOM 1032 C C . SER A 1 140 ? -59.804 16.874 -23.466 1.00 38.44 ? 167 SER A C 1 ATOM 1033 O O . SER A 1 140 ? -59.528 15.668 -23.410 1.00 39.50 ? 167 SER A O 1 ATOM 1034 C CB . SER A 1 140 ? -58.300 18.282 -24.810 1.00 38.97 ? 167 SER A CB 1 ATOM 1035 O OG . SER A 1 140 ? -59.364 18.932 -25.501 1.00 39.11 ? 167 SER A OG 1 ATOM 1036 N N . THR A 1 141 ? -61.038 17.337 -23.641 1.00 38.14 ? 168 THR A N 1 ATOM 1037 C CA . THR A 1 141 ? -62.142 16.443 -23.935 1.00 38.13 ? 168 THR A CA 1 ATOM 1038 C C . THR A 1 141 ? -62.121 15.940 -25.387 1.00 38.51 ? 168 THR A C 1 ATOM 1039 O O . THR A 1 141 ? -62.836 14.991 -25.694 1.00 38.94 ? 168 THR A O 1 ATOM 1040 C CB . THR A 1 141 ? -63.504 17.091 -23.629 1.00 38.47 ? 168 THR A CB 1 ATOM 1041 O OG1 . THR A 1 141 ? -63.634 18.319 -24.341 1.00 38.30 ? 168 THR A OG1 1 ATOM 1042 C CG2 . THR A 1 141 ? -63.633 17.371 -22.149 1.00 39.15 ? 168 THR A CG2 1 ATOM 1043 N N . VAL A 1 142 ? -61.318 16.556 -26.267 1.00 38.41 ? 169 VAL A N 1 ATOM 1044 C CA . VAL A 1 142 ? -61.312 16.204 -27.698 1.00 39.62 ? 169 VAL A CA 1 ATOM 1045 C C . VAL A 1 142 ? -59.929 15.911 -28.301 1.00 39.39 ? 169 VAL A C 1 ATOM 1046 O O . VAL A 1 142 ? -58.895 16.284 -27.746 1.00 38.70 ? 169 VAL A O 1 ATOM 1047 C CB . VAL A 1 142 ? -62.034 17.278 -28.555 1.00 40.17 ? 169 VAL A CB 1 ATOM 1048 C CG1 . VAL A 1 142 ? -63.416 17.559 -27.978 1.00 40.87 ? 169 VAL A CG1 1 ATOM 1049 C CG2 . VAL A 1 142 ? -61.217 18.564 -28.665 1.00 39.75 ? 169 VAL A CG2 1 ATOM 1050 N N . ILE A 1 143 ? -59.942 15.246 -29.456 1.00 40.08 ? 170 ILE A N 1 ATOM 1051 C CA . ILE A 1 143 ? -58.719 14.899 -30.175 1.00 40.09 ? 170 ILE A CA 1 ATOM 1052 C C . ILE A 1 143 ? -58.376 16.026 -31.141 1.00 40.32 ? 170 ILE A C 1 ATOM 1053 O O . ILE A 1 143 ? -59.232 16.468 -31.915 1.00 41.37 ? 170 ILE A O 1 ATOM 1054 C CB . ILE A 1 143 ? -58.864 13.573 -30.960 1.00 41.02 ? 170 ILE A CB 1 ATOM 1055 C CG1 . ILE A 1 143 ? -59.231 12.425 -30.018 1.00 40.93 ? 170 ILE A CG1 1 ATOM 1056 C CG2 . ILE A 1 143 ? -57.570 13.247 -31.699 1.00 41.42 ? 170 ILE A CG2 1 ATOM 1057 C CD1 . ILE A 1 143 ? -59.579 11.134 -30.728 1.00 42.18 ? 170 ILE A CD1 1 ATOM 1058 N N . TYR A 1 144 ? -57.131 16.489 -31.100 1.00 40.13 ? 171 TYR A N 1 ATOM 1059 C CA . TYR A 1 144 ? -56.638 17.451 -32.090 1.00 41.27 ? 171 TYR A CA 1 ATOM 1060 C C . TYR A 1 144 ? -55.836 16.723 -33.172 1.00 41.76 ? 171 TYR A C 1 ATOM 1061 O O . TYR A 1 144 ? -55.254 15.659 -32.938 1.00 40.68 ? 171 TYR A O 1 ATOM 1062 C CB . TYR A 1 144 ? -55.812 18.560 -31.433 1.00 41.93 ? 171 TYR A CB 1 ATOM 1063 C CG . TYR A 1 144 ? -56.542 19.241 -30.289 1.00 42.42 ? 171 TYR A CG 1 ATOM 1064 C CD1 . TYR A 1 144 ? -57.662 20.046 -30.523 1.00 43.53 ? 171 TYR A CD1 1 ATOM 1065 C CD2 . TYR A 1 144 ? -56.125 19.066 -28.970 1.00 42.16 ? 171 TYR A CD2 1 ATOM 1066 C CE1 . TYR A 1 144 ? -58.342 20.656 -29.475 1.00 43.56 ? 171 TYR A CE1 1 ATOM 1067 C CE2 . TYR A 1 144 ? -56.794 19.671 -27.918 1.00 42.52 ? 171 TYR A CE2 1 ATOM 1068 C CZ . TYR A 1 144 ? -57.900 20.459 -28.171 1.00 43.29 ? 171 TYR A CZ 1 ATOM 1069 O OH . TYR A 1 144 ? -58.553 21.047 -27.114 1.00 44.44 ? 171 TYR A OH 1 ATOM 1070 N N . ARG A 1 145 ? -55.828 17.309 -34.364 1.00 42.69 ? 172 ARG A N 1 ATOM 1071 C CA . ARG A 1 145 ? -55.188 16.714 -35.535 1.00 43.64 ? 172 ARG A CA 1 ATOM 1072 C C . ARG A 1 145 ? -53.684 16.667 -35.352 1.00 43.08 ? 172 ARG A C 1 ATOM 1073 O O . ARG A 1 145 ? -53.081 17.633 -34.897 1.00 42.68 ? 172 ARG A O 1 ATOM 1074 C CB . ARG A 1 145 ? -55.524 17.550 -36.778 1.00 45.46 ? 172 ARG A CB 1 ATOM 1075 C CG . ARG A 1 145 ? -55.021 17.012 -38.111 1.00 47.61 ? 172 ARG A CG 1 ATOM 1076 C CD . ARG A 1 145 ? -55.006 18.117 -39.157 1.00 49.56 ? 172 ARG A CD 1 ATOM 1077 N NE . ARG A 1 145 ? -56.273 18.849 -39.150 1.00 50.76 ? 172 ARG A NE 1 ATOM 1078 C CZ . ARG A 1 145 ? -56.471 20.086 -39.615 1.00 52.26 ? 172 ARG A CZ 1 ATOM 1079 N NH1 . ARG A 1 145 ? -55.492 20.794 -40.172 1.00 53.40 ? 172 ARG A NH1 1 ATOM 1080 N NH2 . ARG A 1 145 ? -57.686 20.620 -39.521 1.00 52.97 ? 172 ARG A NH2 1 ATOM 1081 N N . GLY A 1 146 ? -53.083 15.539 -35.716 1.00 43.52 ? 173 GLY A N 1 ATOM 1082 C CA . GLY A 1 146 ? -51.626 15.438 -35.835 1.00 44.10 ? 173 GLY A CA 1 ATOM 1083 C C . GLY A 1 146 ? -50.851 15.693 -34.556 1.00 43.23 ? 173 GLY A C 1 ATOM 1084 O O . GLY A 1 146 ? -49.691 16.069 -34.605 1.00 43.87 ? 173 GLY A O 1 ATOM 1085 N N . THR A 1 147 ? -51.493 15.465 -33.413 1.00 42.78 ? 174 THR A N 1 ATOM 1086 C CA . THR A 1 147 ? -50.956 15.854 -32.113 1.00 41.97 ? 174 THR A CA 1 ATOM 1087 C C . THR A 1 147 ? -50.990 14.633 -31.203 1.00 40.94 ? 174 THR A C 1 ATOM 1088 O O . THR A 1 147 ? -52.052 14.077 -30.937 1.00 40.62 ? 174 THR A O 1 ATOM 1089 C CB . THR A 1 147 ? -51.776 17.008 -31.523 1.00 41.51 ? 174 THR A CB 1 ATOM 1090 O OG1 . THR A 1 147 ? -51.849 18.059 -32.491 1.00 42.56 ? 174 THR A OG1 1 ATOM 1091 C CG2 . THR A 1 147 ? -51.133 17.551 -30.250 1.00 41.35 ? 174 THR A CG2 1 ATOM 1092 N N . THR A 1 148 ? -49.816 14.217 -30.746 1.00 40.85 ? 175 THR A N 1 ATOM 1093 C CA . THR A 1 148 ? -49.671 12.983 -29.992 1.00 40.47 ? 175 THR A CA 1 ATOM 1094 C C . THR A 1 148 ? -50.334 13.101 -28.617 1.00 39.93 ? 175 THR A C 1 ATOM 1095 O O . THR A 1 148 ? -50.109 14.081 -27.905 1.00 39.13 ? 175 THR A O 1 ATOM 1096 C CB . THR A 1 148 ? -48.187 12.625 -29.842 1.00 41.23 ? 175 THR A CB 1 ATOM 1097 O OG1 . THR A 1 148 ? -47.608 12.493 -31.147 1.00 42.14 ? 175 THR A OG1 1 ATOM 1098 C CG2 . THR A 1 148 ? -48.002 11.333 -29.076 1.00 41.24 ? 175 THR A CG2 1 ATOM 1099 N N . PHE A 1 149 ? -51.158 12.111 -28.265 1.00 39.83 ? 176 PHE A N 1 ATOM 1100 C CA . PHE A 1 149 ? -51.827 12.076 -26.973 1.00 39.61 ? 176 PHE A CA 1 ATOM 1101 C C . PHE A 1 149 ? -51.766 10.713 -26.305 1.00 40.54 ? 176 PHE A C 1 ATOM 1102 O O . PHE A 1 149 ? -51.547 9.700 -26.964 1.00 41.23 ? 176 PHE A O 1 ATOM 1103 C CB . PHE A 1 149 ? -53.288 12.517 -27.099 1.00 38.97 ? 176 PHE A CB 1 ATOM 1104 C CG . PHE A 1 149 ? -54.148 11.607 -27.925 1.00 39.33 ? 176 PHE A CG 1 ATOM 1105 C CD1 . PHE A 1 149 ? -54.754 10.492 -27.360 1.00 39.78 ? 176 PHE A CD1 1 ATOM 1106 C CD2 . PHE A 1 149 ? -54.391 11.888 -29.264 1.00 40.23 ? 176 PHE A CD2 1 ATOM 1107 C CE1 . PHE A 1 149 ? -55.567 9.660 -28.120 1.00 40.48 ? 176 PHE A CE1 1 ATOM 1108 C CE2 . PHE A 1 149 ? -55.202 11.064 -30.029 1.00 40.64 ? 176 PHE A CE2 1 ATOM 1109 C CZ . PHE A 1 149 ? -55.794 9.949 -29.457 1.00 40.85 ? 176 PHE A CZ 1 ATOM 1110 N N . ALA A 1 150 ? -51.979 10.718 -24.989 1.00 40.24 ? 177 ALA A N 1 ATOM 1111 C CA . ALA A 1 150 ? -52.215 9.511 -24.207 1.00 40.94 ? 177 ALA A CA 1 ATOM 1112 C C . ALA A 1 150 ? -53.628 9.607 -23.667 1.00 40.68 ? 177 ALA A C 1 ATOM 1113 O O . ALA A 1 150 ? -54.115 10.702 -23.409 1.00 41.47 ? 177 ALA A O 1 ATOM 1114 C CB . ALA A 1 150 ? -51.219 9.409 -23.067 1.00 41.22 ? 177 ALA A CB 1 ATOM 1115 N N . GLU A 1 151 ? -54.298 8.471 -23.533 1.00 40.87 ? 178 GLU A N 1 ATOM 1116 C CA . GLU A 1 151 ? -55.603 8.436 -22.892 1.00 41.26 ? 178 GLU A CA 1 ATOM 1117 C C . GLU A 1 151 ? -55.365 8.424 -21.398 1.00 41.14 ? 178 GLU A C 1 ATOM 1118 O O . GLU A 1 151 ? -54.533 7.650 -20.916 1.00 41.79 ? 178 GLU A O 1 ATOM 1119 C CB . GLU A 1 151 ? -56.367 7.179 -23.255 1.00 42.66 ? 178 GLU A CB 1 ATOM 1120 C CG . GLU A 1 151 ? -56.696 7.042 -24.715 1.00 43.45 ? 178 GLU A CG 1 ATOM 1121 C CD . GLU A 1 151 ? -57.263 5.682 -24.997 1.00 45.19 ? 178 GLU A CD 1 ATOM 1122 O OE1 . GLU A 1 151 ? -58.504 5.564 -25.066 1.00 46.29 ? 178 GLU A OE1 1 ATOM 1123 O OE2 . GLU A 1 151 ? -56.466 4.724 -25.098 1.00 46.86 ? 178 GLU A OE2 1 ATOM 1124 N N . GLY A 1 152 ? -56.086 9.264 -20.665 1.00 40.04 ? 179 GLY A N 1 ATOM 1125 C CA . GLY A 1 152 ? -55.869 9.342 -19.230 1.00 40.37 ? 179 GLY A CA 1 ATOM 1126 C C . GLY A 1 152 ? -56.901 10.103 -18.448 1.00 39.93 ? 179 GLY A C 1 ATOM 1127 O O . GLY A 1 152 ? -57.921 10.552 -18.984 1.00 39.55 ? 179 GLY A O 1 ATOM 1128 N N . VAL A 1 153 ? -56.614 10.225 -17.158 1.00 40.31 ? 180 VAL A N 1 ATOM 1129 C CA . VAL A 1 153 ? -57.494 10.884 -16.206 1.00 39.77 ? 180 VAL A CA 1 ATOM 1130 C C . VAL A 1 153 ? -56.658 11.676 -15.203 1.00 39.86 ? 180 VAL A C 1 ATOM 1131 O O . VAL A 1 153 ? -55.455 11.424 -15.043 1.00 39.39 ? 180 VAL A O 1 ATOM 1132 C CB . VAL A 1 153 ? -58.418 9.865 -15.504 1.00 40.94 ? 180 VAL A CB 1 ATOM 1133 C CG1 . VAL A 1 153 ? -59.587 9.499 -16.406 1.00 40.74 ? 180 VAL A CG1 1 ATOM 1134 C CG2 . VAL A 1 153 ? -57.654 8.615 -15.081 1.00 41.91 ? 180 VAL A CG2 1 ATOM 1135 N N . VAL A 1 154 ? -57.303 12.638 -14.544 1.00 39.58 ? 181 VAL A N 1 ATOM 1136 C CA . VAL A 1 154 ? -56.609 13.600 -13.690 1.00 39.42 ? 181 VAL A CA 1 ATOM 1137 C C . VAL A 1 154 ? -57.028 13.423 -12.221 1.00 40.27 ? 181 VAL A C 1 ATOM 1138 O O . VAL A 1 154 ? -58.204 13.215 -11.932 1.00 40.62 ? 181 VAL A O 1 ATOM 1139 C CB . VAL A 1 154 ? -56.886 15.043 -14.159 1.00 38.54 ? 181 VAL A CB 1 ATOM 1140 C CG1 . VAL A 1 154 ? -56.189 16.060 -13.262 1.00 38.92 ? 181 VAL A CG1 1 ATOM 1141 C CG2 . VAL A 1 154 ? -56.443 15.220 -15.609 1.00 38.15 ? 181 VAL A CG2 1 ATOM 1142 N N . ALA A 1 155 ? -56.054 13.503 -11.311 1.00 40.71 ? 182 ALA A N 1 ATOM 1143 C CA . ALA A 1 155 ? -56.305 13.509 -9.866 1.00 42.34 ? 182 ALA A CA 1 ATOM 1144 C C . ALA A 1 155 ? -55.767 14.795 -9.266 1.00 42.53 ? 182 ALA A C 1 ATOM 1145 O O . ALA A 1 155 ? -54.829 15.387 -9.808 1.00 41.66 ? 182 ALA A O 1 ATOM 1146 C CB . ALA A 1 155 ? -55.642 12.316 -9.195 1.00 43.54 ? 182 ALA A CB 1 ATOM 1147 N N . PHE A 1 156 ? -56.355 15.198 -8.136 1.00 43.65 ? 183 PHE A N 1 ATOM 1148 C CA . PHE A 1 156 ? -55.903 16.354 -7.363 1.00 44.28 ? 183 PHE A CA 1 ATOM 1149 C C . PHE A 1 156 ? -55.591 15.925 -5.943 1.00 46.66 ? 183 PHE A C 1 ATOM 1150 O O . PHE A 1 156 ? -56.389 15.219 -5.333 1.00 47.56 ? 183 PHE A O 1 ATOM 1151 C CB . PHE A 1 156 ? -56.972 17.437 -7.357 1.00 43.56 ? 183 PHE A CB 1 ATOM 1152 C CG . PHE A 1 156 ? -57.414 17.832 -8.721 1.00 41.69 ? 183 PHE A CG 1 ATOM 1153 C CD1 . PHE A 1 156 ? -56.682 18.746 -9.461 1.00 41.01 ? 183 PHE A CD1 1 ATOM 1154 C CD2 . PHE A 1 156 ? -58.543 17.256 -9.290 1.00 41.45 ? 183 PHE A CD2 1 ATOM 1155 C CE1 . PHE A 1 156 ? -57.082 19.098 -10.740 1.00 39.52 ? 183 PHE A CE1 1 ATOM 1156 C CE2 . PHE A 1 156 ? -58.949 17.601 -10.565 1.00 39.91 ? 183 PHE A CE2 1 ATOM 1157 C CZ . PHE A 1 156 ? -58.216 18.526 -11.290 1.00 39.32 ? 183 PHE A CZ 1 ATOM 1158 N N . LEU A 1 157 ? -54.449 16.376 -5.422 1.00 48.66 ? 184 LEU A N 1 ATOM 1159 C CA . LEU A 1 157 ? -53.923 15.943 -4.124 1.00 52.27 ? 184 LEU A CA 1 ATOM 1160 C C . LEU A 1 157 ? -53.466 17.113 -3.265 1.00 53.17 ? 184 LEU A C 1 ATOM 1161 O O . LEU A 1 157 ? -52.949 18.095 -3.785 1.00 51.26 ? 184 LEU A O 1 ATOM 1162 C CB . LEU A 1 157 ? -52.691 15.065 -4.330 1.00 54.06 ? 184 LEU A CB 1 ATOM 1163 C CG . LEU A 1 157 ? -52.859 13.760 -5.089 1.00 54.93 ? 184 LEU A CG 1 ATOM 1164 C CD1 . LEU A 1 157 ? -51.567 13.419 -5.812 1.00 55.84 ? 184 LEU A CD1 1 ATOM 1165 C CD2 . LEU A 1 157 ? -53.268 12.651 -4.131 1.00 57.12 ? 184 LEU A CD2 1 ATOM 1166 N N . ILE A 1 158 ? -53.659 16.984 -1.955 1.00 56.41 ? 185 ILE A N 1 ATOM 1167 C CA . ILE A 1 158 ? -52.876 17.721 -0.962 1.00 59.75 ? 185 ILE A CA 1 ATOM 1168 C C . ILE A 1 158 ? -51.769 16.761 -0.555 1.00 62.51 ? 185 ILE A C 1 ATOM 1169 O O . ILE A 1 158 ? -52.047 15.704 0.002 1.00 63.26 ? 185 ILE A O 1 ATOM 1170 C CB . ILE A 1 158 ? -53.671 18.086 0.313 1.00 61.67 ? 185 ILE A CB 1 ATOM 1171 C CG1 . ILE A 1 158 ? -54.992 18.765 -0.038 1.00 61.09 ? 185 ILE A CG1 1 ATOM 1172 C CG2 . ILE A 1 158 ? -52.836 18.983 1.236 1.00 63.18 ? 185 ILE A CG2 1 ATOM 1173 C CD1 . ILE A 1 158 ? -55.721 19.319 1.175 1.00 63.23 ? 185 ILE A CD1 1 ATOM 1174 N N . LEU A 1 159 ? -50.526 17.126 -0.842 1.00 65.25 ? 186 LEU A N 1 ATOM 1175 C CA . LEU A 1 159 ? -49.375 16.358 -0.400 1.00 69.38 ? 186 LEU A CA 1 ATOM 1176 C C . LEU A 1 159 ? -49.057 16.735 1.038 1.00 74.18 ? 186 LEU A C 1 ATOM 1177 O O . LEU A 1 159 ? -49.204 17.898 1.420 1.00 73.75 ? 186 LEU A O 1 ATOM 1178 C CB . LEU A 1 159 ? -48.160 16.655 -1.278 1.00 69.57 ? 186 LEU A CB 1 ATOM 1179 C CG . LEU A 1 159 ? -48.318 16.396 -2.780 1.00 68.65 ? 186 LEU A CG 1 ATOM 1180 C CD1 . LEU A 1 159 ? -47.090 16.896 -3.539 1.00 68.81 ? 186 LEU A CD1 1 ATOM 1181 C CD2 . LEU A 1 159 ? -48.583 14.916 -3.047 1.00 69.11 ? 186 LEU A CD2 1 ATOM 1182 N N . PRO A 1 160 ? -48.620 15.758 1.850 1.00 80.40 ? 187 PRO A N 1 ATOM 1183 C CA . PRO A 1 160 ? -48.085 16.129 3.160 1.00 85.30 ? 187 PRO A CA 1 ATOM 1184 C C . PRO A 1 160 ? -46.698 16.749 2.970 1.00 89.18 ? 187 PRO A C 1 ATOM 1185 O O . PRO A 1 160 ? -45.896 16.233 2.185 1.00 89.12 ? 187 PRO A O 1 ATOM 1186 C CB . PRO A 1 160 ? -48.014 14.796 3.900 1.00 86.58 ? 187 PRO A CB 1 ATOM 1187 C CG . PRO A 1 160 ? -47.813 13.784 2.823 1.00 85.15 ? 187 PRO A CG 1 ATOM 1188 C CD . PRO A 1 160 ? -48.476 14.315 1.581 1.00 81.31 ? 187 PRO A CD 1 ATOM 1189 N N . GLN A 1 161 ? -46.438 17.861 3.656 1.00 94.31 ? 188 GLN A N 1 ATOM 1190 C CA . GLN A 1 161 ? -45.162 18.592 3.513 1.00 98.69 ? 188 GLN A CA 1 ATOM 1191 C C . GLN A 1 161 ? -43.911 17.782 3.892 1.00 102.93 ? 188 GLN A C 1 ATOM 1192 O O . GLN A 1 161 ? -42.813 18.106 3.435 1.00 103.38 ? 188 GLN A O 1 ATOM 1193 C CB . GLN A 1 161 ? -45.178 19.930 4.274 1.00 100.72 ? 188 GLN A CB 1 ATOM 1194 C CG . GLN A 1 161 ? -45.440 19.838 5.774 1.00 104.68 ? 188 GLN A CG 1 ATOM 1195 C CD . GLN A 1 161 ? -46.900 20.056 6.132 1.00 104.66 ? 188 GLN A CD 1 ATOM 1196 O OE1 . GLN A 1 161 ? -47.787 19.348 5.643 1.00 102.32 ? 188 GLN A OE1 1 ATOM 1197 N NE2 . GLN A 1 161 ? -47.157 21.042 6.985 1.00 106.66 ? 188 GLN A NE2 1 ATOM 1198 N N . ALA A 1 162 ? -44.077 16.748 4.719 1.00 107.64 ? 189 ALA A N 1 ATOM 1199 C CA . ALA A 1 162 ? -42.990 15.814 5.034 1.00 113.69 ? 189 ALA A CA 1 ATOM 1200 C C . ALA A 1 162 ? -42.560 14.986 3.813 1.00 114.62 ? 189 ALA A C 1 ATOM 1201 O O . ALA A 1 162 ? -41.410 15.077 3.376 1.00 115.44 ? 189 ALA A O 1 ATOM 1202 C CB . ALA A 1 162 ? -43.390 14.896 6.186 1.00 116.13 ? 189 ALA A CB 1 ATOM 1203 N N . LYS A 1 163 ? -43.485 14.196 3.265 1.00 115.96 ? 190 LYS A N 1 ATOM 1204 C CA . LYS A 1 163 ? -43.186 13.284 2.146 1.00 118.27 ? 190 LYS A CA 1 ATOM 1205 C C . LYS A 1 163 ? -42.698 14.028 0.892 1.00 118.83 ? 190 LYS A C 1 ATOM 1206 O O . LYS A 1 163 ? -43.504 14.517 0.089 1.00 114.81 ? 190 LYS A O 1 ATOM 1207 C CB . LYS A 1 163 ? -44.408 12.420 1.802 1.00 116.83 ? 190 LYS A CB 1 ATOM 1208 N N . LYS A 1 164 ? -41.372 14.112 0.752 1.00 122.87 ? 191 LYS A N 1 ATOM 1209 C CA . LYS A 1 164 ? -40.719 14.765 -0.395 1.00 122.75 ? 191 LYS A CA 1 ATOM 1210 C C . LYS A 1 164 ? -40.648 13.881 -1.649 1.00 122.27 ? 191 LYS A C 1 ATOM 1211 O O . LYS A 1 164 ? -40.484 14.401 -2.757 1.00 120.32 ? 191 LYS A O 1 ATOM 1212 C CB . LYS A 1 164 ? -39.305 15.219 -0.013 1.00 125.19 ? 191 LYS A CB 1 ATOM 1213 N N . ASP A 1 165 ? -40.777 12.560 -1.476 1.00 123.97 ? 192 ASP A N 1 ATOM 1214 C CA . ASP A 1 165 ? -40.740 11.588 -2.593 1.00 122.83 ? 192 ASP A CA 1 ATOM 1215 C C . ASP A 1 165 ? -42.055 11.542 -3.402 1.00 119.87 ? 192 ASP A C 1 ATOM 1216 O O . ASP A 1 165 ? -42.677 10.484 -3.559 1.00 119.98 ? 192 ASP A O 1 ATOM 1217 C CB . ASP A 1 165 ? -40.328 10.178 -2.093 1.00 125.39 ? 192 ASP A CB 1 ATOM 1218 C CG . ASP A 1 165 ? -41.206 9.648 -0.944 1.00 126.79 ? 192 ASP A CG 1 ATOM 1219 O OD1 . ASP A 1 165 ? -42.272 10.234 -0.644 1.00 125.01 ? 192 ASP A OD1 1 ATOM 1220 O OD2 . ASP A 1 165 ? -40.812 8.633 -0.327 1.00 129.73 ? 192 ASP A OD2 1 ATOM 1221 N N . PHE A 1 166 ? -42.452 12.693 -3.941 1.00 117.19 ? 193 PHE A N 1 ATOM 1222 C CA . PHE A 1 166 ? -43.723 12.826 -4.644 1.00 113.82 ? 193 PHE A CA 1 ATOM 1223 C C . PHE A 1 166 ? -43.562 13.884 -5.742 1.00 110.27 ? 193 PHE A C 1 ATOM 1224 O O . PHE A 1 166 ? -43.739 15.081 -5.511 1.00 109.92 ? 193 PHE A O 1 ATOM 1225 C CB . PHE A 1 166 ? -44.852 13.159 -3.650 1.00 114.39 ? 193 PHE A CB 1 ATOM 1226 C CG . PHE A 1 166 ? -46.101 12.351 -3.866 1.00 114.73 ? 193 PHE A CG 1 ATOM 1227 C CD1 . PHE A 1 166 ? -46.435 11.297 -3.012 1.00 116.89 ? 193 PHE A CD1 1 ATOM 1228 C CD2 . PHE A 1 166 ? -46.938 12.631 -4.940 1.00 112.36 ? 193 PHE A CD2 1 ATOM 1229 C CE1 . PHE A 1 166 ? -47.589 10.550 -3.224 1.00 116.28 ? 193 PHE A CE1 1 ATOM 1230 C CE2 . PHE A 1 166 ? -48.094 11.890 -5.159 1.00 111.94 ? 193 PHE A CE2 1 ATOM 1231 C CZ . PHE A 1 166 ? -48.420 10.847 -4.299 1.00 114.21 ? 193 PHE A CZ 1 ATOM 1232 N N . PHE A 1 167 ? -43.182 13.407 -6.928 1.00 107.59 ? 194 PHE A N 1 ATOM 1233 C CA . PHE A 1 167 ? -42.870 14.242 -8.098 1.00 103.68 ? 194 PHE A CA 1 ATOM 1234 C C . PHE A 1 167 ? -41.640 15.131 -7.871 1.00 105.32 ? 194 PHE A C 1 ATOM 1235 O O . PHE A 1 167 ? -41.698 16.356 -8.002 1.00 104.94 ? 194 PHE A O 1 ATOM 1236 C CB . PHE A 1 167 ? -44.110 15.002 -8.586 1.00 99.33 ? 194 PHE A CB 1 ATOM 1237 C CG . PHE A 1 167 ? -45.337 14.135 -8.659 1.00 96.71 ? 194 PHE A CG 1 ATOM 1238 C CD1 . PHE A 1 167 ? -46.491 14.472 -7.968 1.00 96.39 ? 194 PHE A CD1 1 ATOM 1239 C CD2 . PHE A 1 167 ? -45.317 12.944 -9.381 1.00 95.00 ? 194 PHE A CD2 1 ATOM 1240 C CE1 . PHE A 1 167 ? -47.611 13.654 -8.021 1.00 94.92 ? 194 PHE A CE1 1 ATOM 1241 C CE2 . PHE A 1 167 ? -46.433 12.123 -9.438 1.00 93.49 ? 194 PHE A CE2 1 ATOM 1242 C CZ . PHE A 1 167 ? -47.581 12.476 -8.755 1.00 93.14 ? 194 PHE A CZ 1 ATOM 1243 N N . SER A 1 168 ? -40.533 14.468 -7.528 1.00 107.10 ? 195 SER A N 1 ATOM 1244 C CA . SER A 1 168 ? -39.216 15.081 -7.294 1.00 109.49 ? 195 SER A CA 1 ATOM 1245 C C . SER A 1 168 ? -39.192 15.908 -6.011 1.00 110.58 ? 195 SER A C 1 ATOM 1246 O O . SER A 1 168 ? -38.202 15.898 -5.281 1.00 112.52 ? 195 SER A O 1 ATOM 1247 C CB . SER A 1 168 ? -38.747 15.914 -8.500 1.00 108.25 ? 195 SER A CB 1 ATOM 1248 O OG . SER A 1 168 ? -39.269 17.234 -8.472 1.00 107.17 ? 195 SER A OG 1 ATOM 1249 N N . SER A 1 184 ? -31.690 6.156 -17.151 1.00 101.83 ? 211 SER A N 1 ATOM 1250 C CA . SER A 1 184 ? -31.858 5.792 -18.556 1.00 100.63 ? 211 SER A CA 1 ATOM 1251 C C . SER A 1 184 ? -32.634 6.868 -19.318 1.00 96.67 ? 211 SER A C 1 ATOM 1252 O O . SER A 1 184 ? -33.561 7.485 -18.777 1.00 96.00 ? 211 SER A O 1 ATOM 1253 C CB . SER A 1 184 ? -32.569 4.441 -18.681 1.00 100.33 ? 211 SER A CB 1 ATOM 1254 O OG . SER A 1 184 ? -31.785 3.404 -18.115 1.00 103.29 ? 211 SER A OG 1 ATOM 1255 N N . GLY A 1 185 ? -32.256 7.072 -20.580 1.00 93.99 ? 212 GLY A N 1 ATOM 1256 C CA . GLY A 1 185 ? -32.799 8.154 -21.399 1.00 89.27 ? 212 GLY A CA 1 ATOM 1257 C C . GLY A 1 185 ? -34.194 7.903 -21.945 1.00 83.92 ? 212 GLY A C 1 ATOM 1258 O O . GLY A 1 185 ? -34.849 6.907 -21.614 1.00 83.15 ? 212 GLY A O 1 ATOM 1259 N N . TYR A 1 186 ? -34.635 8.830 -22.793 1.00 78.98 ? 213 TYR A N 1 ATOM 1260 C CA . TYR A 1 186 ? -35.953 8.785 -23.410 1.00 73.45 ? 213 TYR A CA 1 ATOM 1261 C C . TYR A 1 186 ? -35.812 8.462 -24.897 1.00 74.31 ? 213 TYR A C 1 ATOM 1262 O O . TYR A 1 186 ? -35.108 9.165 -25.623 1.00 75.09 ? 213 TYR A O 1 ATOM 1263 C CB . TYR A 1 186 ? -36.669 10.125 -23.212 1.00 69.20 ? 213 TYR A CB 1 ATOM 1264 C CG . TYR A 1 186 ? -37.945 10.267 -24.005 1.00 64.67 ? 213 TYR A CG 1 ATOM 1265 C CD1 . TYR A 1 186 ? -38.920 9.267 -23.978 1.00 62.49 ? 213 TYR A CD1 1 ATOM 1266 C CD2 . TYR A 1 186 ? -38.183 11.400 -24.786 1.00 62.71 ? 213 TYR A CD2 1 ATOM 1267 C CE1 . TYR A 1 186 ? -40.089 9.388 -24.711 1.00 60.02 ? 213 TYR A CE1 1 ATOM 1268 C CE2 . TYR A 1 186 ? -39.353 11.532 -25.520 1.00 60.17 ? 213 TYR A CE2 1 ATOM 1269 C CZ . TYR A 1 186 ? -40.303 10.523 -25.480 1.00 58.96 ? 213 TYR A CZ 1 ATOM 1270 O OH . TYR A 1 186 ? -41.474 10.634 -26.198 1.00 56.32 ? 213 TYR A OH 1 ATOM 1271 N N . TYR A 1 187 ? -36.485 7.397 -25.331 1.00 74.24 ? 214 TYR A N 1 ATOM 1272 C CA . TYR A 1 187 ? -36.479 6.963 -26.729 1.00 75.87 ? 214 TYR A CA 1 ATOM 1273 C C . TYR A 1 187 ? -37.916 6.688 -27.179 1.00 70.32 ? 214 TYR A C 1 ATOM 1274 O O . TYR A 1 187 ? -38.685 6.049 -26.459 1.00 70.95 ? 214 TYR A O 1 ATOM 1275 C CB . TYR A 1 187 ? -35.589 5.718 -26.889 1.00 81.22 ? 214 TYR A CB 1 ATOM 1276 C CG . TYR A 1 187 ? -35.464 5.179 -28.310 1.00 86.09 ? 214 TYR A CG 1 ATOM 1277 C CD1 . TYR A 1 187 ? -35.275 6.037 -29.406 1.00 87.17 ? 214 TYR A CD1 1 ATOM 1278 C CD2 . TYR A 1 187 ? -35.512 3.798 -28.558 1.00 89.15 ? 214 TYR A CD2 1 ATOM 1279 C CE1 . TYR A 1 187 ? -35.159 5.535 -30.699 1.00 89.85 ? 214 TYR A CE1 1 ATOM 1280 C CE2 . TYR A 1 187 ? -35.393 3.289 -29.848 1.00 91.09 ? 214 TYR A CE2 1 ATOM 1281 C CZ . TYR A 1 187 ? -35.217 4.158 -30.915 1.00 91.98 ? 214 TYR A CZ 1 ATOM 1282 O OH . TYR A 1 187 ? -35.099 3.652 -32.193 1.00 95.31 ? 214 TYR A OH 1 ATOM 1283 N N . SER A 1 188 ? -38.269 7.196 -28.359 1.00 65.63 ? 215 SER A N 1 ATOM 1284 C CA . SER A 1 188 ? -39.623 7.110 -28.897 1.00 60.70 ? 215 SER A CA 1 ATOM 1285 C C . SER A 1 188 ? -39.591 6.586 -30.332 1.00 59.72 ? 215 SER A C 1 ATOM 1286 O O . SER A 1 188 ? -38.698 6.938 -31.099 1.00 60.86 ? 215 SER A O 1 ATOM 1287 C CB . SER A 1 188 ? -40.270 8.485 -28.864 1.00 58.48 ? 215 SER A CB 1 ATOM 1288 O OG . SER A 1 188 ? -41.639 8.396 -29.194 1.00 57.12 ? 215 SER A OG 1 ATOM 1289 N N . THR A 1 189 ? -40.573 5.758 -30.684 1.00 57.00 ? 216 THR A N 1 ATOM 1290 C CA . THR A 1 189 ? -40.633 5.100 -31.986 1.00 56.49 ? 216 THR A CA 1 ATOM 1291 C C . THR A 1 189 ? -42.018 5.271 -32.588 1.00 53.97 ? 216 THR A C 1 ATOM 1292 O O . THR A 1 189 ? -43.021 4.965 -31.947 1.00 52.27 ? 216 THR A O 1 ATOM 1293 C CB . THR A 1 189 ? -40.343 3.591 -31.859 1.00 57.95 ? 216 THR A CB 1 ATOM 1294 O OG1 . THR A 1 189 ? -39.072 3.394 -31.231 1.00 59.53 ? 216 THR A OG1 1 ATOM 1295 C CG2 . THR A 1 189 ? -40.340 2.911 -33.230 1.00 59.42 ? 216 THR A CG2 1 ATOM 1296 N N . THR A 1 190 ? -42.067 5.743 -33.830 1.00 53.70 ? 217 THR A N 1 ATOM 1297 C CA . THR A 1 190 ? -43.327 5.971 -34.521 1.00 52.22 ? 217 THR A CA 1 ATOM 1298 C C . THR A 1 190 ? -43.709 4.724 -35.298 1.00 52.83 ? 217 THR A C 1 ATOM 1299 O O . THR A 1 190 ? -42.905 4.189 -36.044 1.00 55.31 ? 217 THR A O 1 ATOM 1300 C CB . THR A 1 190 ? -43.237 7.191 -35.452 1.00 52.13 ? 217 THR A CB 1 ATOM 1301 O OG1 . THR A 1 190 ? -42.993 8.356 -34.659 1.00 51.03 ? 217 THR A OG1 1 ATOM 1302 C CG2 . THR A 1 190 ? -44.535 7.392 -36.238 1.00 51.50 ? 217 THR A CG2 1 ATOM 1303 N N . ILE A 1 191 ? -44.940 4.268 -35.100 1.00 51.88 ? 218 ILE A N 1 ATOM 1304 C CA . ILE A 1 191 ? -45.496 3.137 -35.820 1.00 52.87 ? 218 ILE A CA 1 ATOM 1305 C C . ILE A 1 191 ? -46.653 3.695 -36.633 1.00 52.60 ? 218 ILE A C 1 ATOM 1306 O O . ILE A 1 191 ? -47.620 4.225 -36.069 1.00 50.09 ? 218 ILE A O 1 ATOM 1307 C CB . ILE A 1 191 ? -45.975 2.033 -34.855 1.00 52.80 ? 218 ILE A CB 1 ATOM 1308 C CG1 . ILE A 1 191 ? -44.802 1.544 -33.998 1.00 53.72 ? 218 ILE A CG1 1 ATOM 1309 C CG2 . ILE A 1 191 ? -46.575 0.851 -35.612 1.00 54.16 ? 218 ILE A CG2 1 ATOM 1310 C CD1 . ILE A 1 191 ? -45.195 0.548 -32.934 1.00 53.98 ? 218 ILE A CD1 1 ATOM 1311 N N . ARG A 1 192 ? -46.541 3.570 -37.955 1.00 54.56 ? 219 ARG A N 1 ATOM 1312 C CA . ARG A 1 192 ? -47.487 4.176 -38.885 1.00 55.37 ? 219 ARG A CA 1 ATOM 1313 C C . ARG A 1 192 ? -48.540 3.173 -39.331 1.00 55.23 ? 219 ARG A C 1 ATOM 1314 O O . ARG A 1 192 ? -48.238 2.007 -39.554 1.00 55.94 ? 219 ARG A O 1 ATOM 1315 C CB . ARG A 1 192 ? -46.745 4.765 -40.085 1.00 58.05 ? 219 ARG A CB 1 ATOM 1316 C CG . ARG A 1 192 ? -45.801 5.881 -39.681 1.00 59.44 ? 219 ARG A CG 1 ATOM 1317 C CD . ARG A 1 192 ? -45.240 6.655 -40.863 1.00 63.21 ? 219 ARG A CD 1 ATOM 1318 N NE . ARG A 1 192 ? -44.766 7.971 -40.424 1.00 64.98 ? 219 ARG A NE 1 ATOM 1319 C CZ . ARG A 1 192 ? -43.613 8.214 -39.788 1.00 66.99 ? 219 ARG A CZ 1 ATOM 1320 N NH1 . ARG A 1 192 ? -43.316 9.465 -39.433 1.00 67.51 ? 219 ARG A NH1 1 ATOM 1321 N NH2 . ARG A 1 192 ? -42.746 7.235 -39.501 1.00 68.26 ? 219 ARG A NH2 1 ATOM 1322 N N . TYR A 1 193 ? -49.777 3.646 -39.436 1.00 54.84 ? 220 TYR A N 1 ATOM 1323 C CA . TYR A 1 193 ? -50.905 2.837 -39.866 1.00 56.34 ? 220 TYR A CA 1 ATOM 1324 C C . TYR A 1 193 ? -51.748 3.602 -40.876 1.00 57.63 ? 220 TYR A C 1 ATOM 1325 O O . TYR A 1 193 ? -51.884 4.827 -40.773 1.00 56.42 ? 220 TYR A O 1 ATOM 1326 C CB . TYR A 1 193 ? -51.827 2.516 -38.694 1.00 55.37 ? 220 TYR A CB 1 ATOM 1327 C CG . TYR A 1 193 ? -51.203 1.856 -37.489 1.00 55.09 ? 220 TYR A CG 1 ATOM 1328 C CD1 . TYR A 1 193 ? -50.485 2.603 -36.557 1.00 54.07 ? 220 TYR A CD1 1 ATOM 1329 C CD2 . TYR A 1 193 ? -51.390 0.497 -37.241 1.00 56.22 ? 220 TYR A CD2 1 ATOM 1330 C CE1 . TYR A 1 193 ? -49.938 2.009 -35.431 1.00 53.90 ? 220 TYR A CE1 1 ATOM 1331 C CE2 . TYR A 1 193 ? -50.850 -0.109 -36.114 1.00 56.42 ? 220 TYR A CE2 1 ATOM 1332 C CZ . TYR A 1 193 ? -50.129 0.653 -35.213 1.00 55.00 ? 220 TYR A CZ 1 ATOM 1333 O OH . TYR A 1 193 ? -49.585 0.066 -34.103 1.00 54.77 ? 220 TYR A OH 1 ATOM 1334 N N . GLN A 1 194 ? -52.342 2.868 -41.816 1.00 60.73 ? 221 GLN A N 1 ATOM 1335 C CA . GLN A 1 194 ? -53.378 3.401 -42.700 1.00 63.06 ? 221 GLN A CA 1 ATOM 1336 C C . GLN A 1 194 ? -54.715 2.808 -42.298 1.00 62.32 ? 221 GLN A C 1 ATOM 1337 O O . GLN A 1 194 ? -54.774 1.645 -41.916 1.00 63.49 ? 221 GLN A O 1 ATOM 1338 C CB . GLN A 1 194 ? -53.080 3.071 -44.157 1.00 67.15 ? 221 GLN A CB 1 ATOM 1339 C CG . GLN A 1 194 ? -51.883 3.818 -44.731 1.00 70.28 ? 221 GLN A CG 1 ATOM 1340 C CD . GLN A 1 194 ? -52.144 5.298 -45.008 1.00 72.10 ? 221 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 194 ? -53.212 5.833 -44.697 1.00 73.06 ? 221 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 194 ? -51.159 5.965 -45.609 1.00 74.46 ? 221 GLN A NE2 1 ATOM 1343 N N . ALA A 1 195 ? -55.780 3.603 -42.385 1.00 61.22 ? 222 ALA A N 1 ATOM 1344 C CA . ALA A 1 195 ? -57.111 3.168 -41.962 1.00 61.52 ? 222 ALA A CA 1 ATOM 1345 C C . ALA A 1 195 ? -58.194 3.552 -42.964 1.00 62.84 ? 222 ALA A C 1 ATOM 1346 O O . ALA A 1 195 ? -58.114 4.596 -43.606 1.00 63.22 ? 222 ALA A O 1 ATOM 1347 C CB . ALA A 1 195 ? -57.443 3.747 -40.594 1.00 60.00 ? 222 ALA A CB 1 ATOM 1348 N N . THR A 1 196 ? -59.197 2.688 -43.099 1.00 63.97 ? 223 THR A N 1 ATOM 1349 C CA . THR A 1 196 ? -60.420 3.007 -43.831 1.00 65.59 ? 223 THR A CA 1 ATOM 1350 C C . THR A 1 196 ? -61.601 2.742 -42.906 1.00 66.09 ? 223 THR A C 1 ATOM 1351 O O . THR A 1 196 ? -61.526 1.878 -42.024 1.00 65.11 ? 223 THR A O 1 ATOM 1352 C CB . THR A 1 196 ? -60.558 2.177 -45.123 1.00 67.79 ? 223 THR A CB 1 ATOM 1353 O OG1 . THR A 1 196 ? -60.634 0.783 -44.803 1.00 68.81 ? 223 THR A OG1 1 ATOM 1354 C CG2 . THR A 1 196 ? -59.375 2.420 -46.051 1.00 67.90 ? 223 THR A CG2 1 ATOM 1355 N N . GLY A 1 197 ? -62.681 3.495 -43.108 1.00 67.70 ? 224 GLY A N 1 ATOM 1356 C CA . GLY A 1 197 ? -63.870 3.410 -42.261 1.00 68.60 ? 224 GLY A CA 1 ATOM 1357 C C . GLY A 1 197 ? -63.586 3.721 -40.804 1.00 67.67 ? 224 GLY A C 1 ATOM 1358 O O . GLY A 1 197 ? -64.123 3.062 -39.912 1.00 68.02 ? 224 GLY A O 1 ATOM 1359 N N . PHE A 1 198 ? -62.738 4.724 -40.566 1.00 67.26 ? 225 PHE A N 1 ATOM 1360 C CA . PHE A 1 198 ? -62.318 5.094 -39.215 1.00 65.92 ? 225 PHE A CA 1 ATOM 1361 C C . PHE A 1 198 ? -63.513 5.551 -38.390 1.00 67.52 ? 225 PHE A C 1 ATOM 1362 O O . PHE A 1 198 ? -64.355 6.294 -38.887 1.00 68.40 ? 225 PHE A O 1 ATOM 1363 C CB . PHE A 1 198 ? -61.266 6.206 -39.248 1.00 63.84 ? 225 PHE A CB 1 ATOM 1364 C CG . PHE A 1 198 ? -60.722 6.556 -37.894 1.00 61.87 ? 225 PHE A CG 1 ATOM 1365 C CD1 . PHE A 1 198 ? -61.346 7.526 -37.103 1.00 60.80 ? 225 PHE A CD1 1 ATOM 1366 C CD2 . PHE A 1 198 ? -59.600 5.907 -37.393 1.00 60.96 ? 225 PHE A CD2 1 ATOM 1367 C CE1 . PHE A 1 198 ? -60.858 7.838 -35.844 1.00 58.75 ? 225 PHE A CE1 1 ATOM 1368 C CE2 . PHE A 1 198 ? -59.104 6.223 -36.136 1.00 59.53 ? 225 PHE A CE2 1 ATOM 1369 C CZ . PHE A 1 198 ? -59.734 7.188 -35.360 1.00 58.12 ? 225 PHE A CZ 1 ATOM 1370 N N . GLY A 1 199 ? -63.570 5.101 -37.136 1.00 68.29 ? 226 GLY A N 1 ATOM 1371 C CA . GLY A 1 199 ? -64.655 5.449 -36.222 1.00 70.25 ? 226 GLY A CA 1 ATOM 1372 C C . GLY A 1 199 ? -65.981 4.744 -36.464 1.00 74.30 ? 226 GLY A C 1 ATOM 1373 O O . GLY A 1 199 ? -67.022 5.261 -36.066 1.00 75.06 ? 226 GLY A O 1 ATOM 1374 N N . THR A 1 200 ? -65.948 3.570 -37.100 1.00 78.93 ? 227 THR A N 1 ATOM 1375 C CA . THR A 1 200 ? -67.157 2.785 -37.401 1.00 84.27 ? 227 THR A CA 1 ATOM 1376 C C . THR A 1 200 ? -66.974 1.328 -36.949 1.00 89.94 ? 227 THR A C 1 ATOM 1377 O O . THR A 1 200 ? -65.958 0.978 -36.342 1.00 88.61 ? 227 THR A O 1 ATOM 1378 C CB . THR A 1 200 ? -67.523 2.836 -38.914 1.00 85.51 ? 227 THR A CB 1 ATOM 1379 O OG1 . THR A 1 200 ? -66.619 2.025 -39.676 1.00 84.69 ? 227 THR A OG1 1 ATOM 1380 C CG2 . THR A 1 200 ? -67.495 4.265 -39.448 1.00 84.33 ? 227 THR A CG2 1 ATOM 1381 N N . ASN A 1 201 ? -67.978 0.495 -37.225 1.00 99.14 ? 228 ASN A N 1 ATOM 1382 C CA . ASN A 1 201 ? -67.898 -0.955 -36.975 1.00 105.50 ? 228 ASN A CA 1 ATOM 1383 C C . ASN A 1 201 ? -66.948 -1.709 -37.931 1.00 103.61 ? 228 ASN A C 1 ATOM 1384 O O . ASN A 1 201 ? -66.213 -2.594 -37.489 1.00 104.29 ? 228 ASN A O 1 ATOM 1385 C CB . ASN A 1 201 ? -69.305 -1.594 -36.973 1.00 115.02 ? 228 ASN A CB 1 ATOM 1386 C CG . ASN A 1 201 ? -70.084 -1.361 -38.276 1.00 125.68 ? 228 ASN A CG 1 ATOM 1387 O OD1 . ASN A 1 201 ? -69.498 -1.005 -39.298 1.00 126.74 ? 228 ASN A OD1 1 ATOM 1388 N ND2 . ASN A 1 201 ? -71.412 -1.559 -38.253 1.00 138.04 ? 228 ASN A ND2 1 ATOM 1389 N N . GLU A 1 202 ? -66.961 -1.352 -39.220 1.00 100.90 ? 229 GLU A N 1 ATOM 1390 C CA . GLU A 1 202 ? -66.149 -2.020 -40.254 1.00 99.04 ? 229 GLU A CA 1 ATOM 1391 C C . GLU A 1 202 ? -64.859 -1.245 -40.572 1.00 92.98 ? 229 GLU A C 1 ATOM 1392 O O . GLU A 1 202 ? -64.572 -0.939 -41.733 1.00 93.81 ? 229 GLU A O 1 ATOM 1393 C CB . GLU A 1 202 ? -66.978 -2.225 -41.536 1.00 103.44 ? 229 GLU A CB 1 ATOM 1394 C CG . GLU A 1 202 ? -68.148 -3.199 -41.414 1.00 107.68 ? 229 GLU A CG 1 ATOM 1395 C CD . GLU A 1 202 ? -67.719 -4.660 -41.364 1.00 109.98 ? 229 GLU A CD 1 ATOM 1396 O OE1 . GLU A 1 202 ? -67.337 -5.135 -40.270 1.00 110.07 ? 229 GLU A OE1 1 ATOM 1397 O OE2 . GLU A 1 202 ? -67.783 -5.339 -42.413 1.00 112.10 ? 229 GLU A OE2 1 ATOM 1398 N N . THR A 1 203 ? -64.081 -0.943 -39.532 1.00 86.65 ? 230 THR A N 1 ATOM 1399 C CA . THR A 1 203 ? -62.793 -0.263 -39.681 1.00 81.39 ? 230 THR A CA 1 ATOM 1400 C C . THR A 1 203 ? -61.727 -1.287 -40.051 1.00 79.67 ? 230 THR A C 1 ATOM 1401 O O . THR A 1 203 ? -61.714 -2.392 -39.510 1.00 80.82 ? 230 THR A O 1 ATOM 1402 C CB . THR A 1 203 ? -62.371 0.455 -38.378 1.00 78.37 ? 230 THR A CB 1 ATOM 1403 O OG1 . THR A 1 203 ? -63.458 1.246 -37.888 1.00 77.42 ? 230 THR A OG1 1 ATOM 1404 C CG2 . THR A 1 203 ? -61.170 1.373 -38.612 1.00 76.57 ? 230 THR A CG2 1 ATOM 1405 N N . GLU A 1 204 ? -60.837 -0.913 -40.967 1.00 76.70 ? 231 GLU A N 1 ATOM 1406 C CA . GLU A 1 204 ? -59.739 -1.779 -41.401 1.00 75.51 ? 231 GLU A CA 1 ATOM 1407 C C . GLU A 1 204 ? -58.418 -1.037 -41.260 1.00 70.28 ? 231 GLU A C 1 ATOM 1408 O O . GLU A 1 204 ? -58.322 0.124 -41.641 1.00 67.82 ? 231 GLU A O 1 ATOM 1409 C CB . GLU A 1 204 ? -59.933 -2.212 -42.855 1.00 78.93 ? 231 GLU A CB 1 ATOM 1410 C CG . GLU A 1 204 ? -61.274 -2.872 -43.168 1.00 82.80 ? 231 GLU A CG 1 ATOM 1411 C CD . GLU A 1 204 ? -61.354 -4.333 -42.748 1.00 85.54 ? 231 GLU A CD 1 ATOM 1412 O OE1 . GLU A 1 204 ? -60.808 -4.697 -41.684 1.00 86.02 ? 231 GLU A OE1 1 ATOM 1413 O OE2 . GLU A 1 204 ? -61.980 -5.126 -43.485 1.00 88.66 ? 231 GLU A OE2 1 ATOM 1414 N N . TYR A 1 205 ? -57.408 -1.723 -40.724 1.00 67.41 ? 232 TYR A N 1 ATOM 1415 C CA . TYR A 1 205 ? -56.100 -1.136 -40.448 1.00 64.49 ? 232 TYR A CA 1 ATOM 1416 C C . TYR A 1 205 ? -54.986 -1.885 -41.166 1.00 64.38 ? 232 TYR A C 1 ATOM 1417 O O . TYR A 1 205 ? -55.028 -3.106 -41.288 1.00 65.45 ? 232 TYR A O 1 ATOM 1418 C CB . TYR A 1 205 ? -55.827 -1.166 -38.947 1.00 63.55 ? 232 TYR A CB 1 ATOM 1419 C CG . TYR A 1 205 ? -56.705 -0.234 -38.161 1.00 62.34 ? 232 TYR A CG 1 ATOM 1420 C CD1 . TYR A 1 205 ? -57.768 -0.718 -37.396 1.00 62.74 ? 232 TYR A CD1 1 ATOM 1421 C CD2 . TYR A 1 205 ? -56.481 1.137 -38.190 1.00 61.09 ? 232 TYR A CD2 1 ATOM 1422 C CE1 . TYR A 1 205 ? -58.576 0.147 -36.673 1.00 62.09 ? 232 TYR A CE1 1 ATOM 1423 C CE2 . TYR A 1 205 ? -57.283 2.006 -37.475 1.00 60.56 ? 232 TYR A CE2 1 ATOM 1424 C CZ . TYR A 1 205 ? -58.327 1.506 -36.720 1.00 60.88 ? 232 TYR A CZ 1 ATOM 1425 O OH . TYR A 1 205 ? -59.117 2.379 -36.021 1.00 61.56 ? 232 TYR A OH 1 ATOM 1426 N N . LEU A 1 206 ? -53.989 -1.137 -41.629 1.00 62.60 ? 233 LEU A N 1 ATOM 1427 C CA . LEU A 1 206 ? -52.788 -1.704 -42.226 1.00 63.18 ? 233 LEU A CA 1 ATOM 1428 C C . LEU A 1 206 ? -51.575 -1.095 -41.548 1.00 61.09 ? 233 LEU A C 1 ATOM 1429 O O . LEU A 1 206 ? -51.497 0.115 -41.417 1.00 60.08 ? 233 LEU A O 1 ATOM 1430 C CB . LEU A 1 206 ? -52.740 -1.410 -43.729 1.00 64.57 ? 233 LEU A CB 1 ATOM 1431 C CG . LEU A 1 206 ? -53.770 -2.137 -44.602 1.00 66.33 ? 233 LEU A CG 1 ATOM 1432 C CD1 . LEU A 1 206 ? -53.871 -1.462 -45.964 1.00 67.60 ? 233 LEU A CD1 1 ATOM 1433 C CD2 . LEU A 1 206 ? -53.453 -3.623 -44.749 1.00 68.11 ? 233 LEU A CD2 1 ATOM 1434 N N . PHE A 1 207 ? -50.646 -1.936 -41.107 1.00 61.06 ? 234 PHE A N 1 ATOM 1435 C CA . PHE A 1 207 ? -49.357 -1.475 -40.591 1.00 59.85 ? 234 PHE A CA 1 ATOM 1436 C C . PHE A 1 207 ? -48.424 -1.187 -41.772 1.00 61.45 ? 234 PHE A C 1 ATOM 1437 O O . PHE A 1 207 ? -48.287 -2.015 -42.665 1.00 62.18 ? 234 PHE A O 1 ATOM 1438 C CB . PHE A 1 207 ? -48.749 -2.521 -39.650 1.00 59.89 ? 234 PHE A CB 1 ATOM 1439 C CG . PHE A 1 207 ? -47.291 -2.314 -39.376 1.00 59.83 ? 234 PHE A CG 1 ATOM 1440 C CD1 . PHE A 1 207 ? -46.364 -3.303 -39.686 1.00 61.89 ? 234 PHE A CD1 1 ATOM 1441 C CD2 . PHE A 1 207 ? -46.838 -1.123 -38.828 1.00 58.14 ? 234 PHE A CD2 1 ATOM 1442 C CE1 . PHE A 1 207 ? -45.012 -3.107 -39.443 1.00 62.60 ? 234 PHE A CE1 1 ATOM 1443 C CE2 . PHE A 1 207 ? -45.489 -0.923 -38.582 1.00 58.82 ? 234 PHE A CE2 1 ATOM 1444 C CZ . PHE A 1 207 ? -44.572 -1.916 -38.888 1.00 60.78 ? 234 PHE A CZ 1 ATOM 1445 N N . GLU A 1 208 ? -47.775 -0.023 -41.750 1.00 61.29 ? 235 GLU A N 1 ATOM 1446 C CA . GLU A 1 208 ? -46.940 0.449 -42.861 1.00 63.43 ? 235 GLU A CA 1 ATOM 1447 C C . GLU A 1 208 ? -45.462 0.052 -42.704 1.00 64.06 ? 235 GLU A C 1 ATOM 1448 O O . GLU A 1 208 ? -44.799 0.466 -41.755 1.00 62.74 ? 235 GLU A O 1 ATOM 1449 C CB . GLU A 1 208 ? -47.064 1.971 -42.961 1.00 63.42 ? 235 GLU A CB 1 ATOM 1450 C CG . GLU A 1 208 ? -46.464 2.591 -44.216 1.00 66.28 ? 235 GLU A CG 1 ATOM 1451 C CD . GLU A 1 208 ? -46.510 4.111 -44.193 1.00 66.65 ? 235 GLU A CD 1 ATOM 1452 O OE1 . GLU A 1 208 ? -47.569 4.689 -43.855 1.00 66.81 ? 235 GLU A OE1 1 ATOM 1453 O OE2 . GLU A 1 208 ? -45.478 4.734 -44.510 1.00 69.04 ? 235 GLU A OE2 1 ATOM 1454 N N . VAL A 1 209 ? -44.952 -0.743 -43.644 1.00 65.81 ? 236 VAL A N 1 ATOM 1455 C CA . VAL A 1 209 ? -43.537 -1.136 -43.667 1.00 67.36 ? 236 VAL A CA 1 ATOM 1456 C C . VAL A 1 209 ? -42.763 -0.102 -44.485 1.00 68.47 ? 236 VAL A C 1 ATOM 1457 O O . VAL A 1 209 ? -41.732 0.412 -44.043 1.00 67.54 ? 236 VAL A O 1 ATOM 1458 C CB . VAL A 1 209 ? -43.355 -2.555 -44.258 1.00 69.62 ? 236 VAL A CB 1 ATOM 1459 C CG1 . VAL A 1 209 ? -41.884 -2.961 -44.285 1.00 71.31 ? 236 VAL A CG1 1 ATOM 1460 C CG2 . VAL A 1 209 ? -44.187 -3.560 -43.469 1.00 69.14 ? 236 VAL A CG2 1 ATOM 1461 N N . ASP A 1 210 ? -43.254 0.153 -45.699 1.00 70.44 ? 237 ASP A N 1 ATOM 1462 C CA . ASP A 1 210 ? -42.878 1.333 -46.489 1.00 71.66 ? 237 ASP A CA 1 ATOM 1463 C C . ASP A 1 210 ? -44.124 1.842 -47.228 1.00 73.36 ? 237 ASP A C 1 ATOM 1464 O O . ASP A 1 210 ? -45.232 1.373 -46.947 1.00 71.69 ? 237 ASP A O 1 ATOM 1465 C CB . ASP A 1 210 ? -41.664 1.055 -47.404 1.00 73.69 ? 237 ASP A CB 1 ATOM 1466 C CG . ASP A 1 210 ? -41.927 0.002 -48.492 1.00 75.20 ? 237 ASP A CG 1 ATOM 1467 O OD1 . ASP A 1 210 ? -43.070 -0.160 -48.971 1.00 74.09 ? 237 ASP A OD1 1 ATOM 1468 O OD2 . ASP A 1 210 ? -40.946 -0.656 -48.891 1.00 76.62 ? 237 ASP A OD2 1 ATOM 1469 N N . ASN A 1 211 ? -43.961 2.789 -48.150 1.00 77.71 ? 238 ASN A N 1 ATOM 1470 C CA . ASN A 1 211 ? -45.117 3.400 -48.828 1.00 80.84 ? 238 ASN A CA 1 ATOM 1471 C C . ASN A 1 211 ? -45.895 2.457 -49.761 1.00 80.28 ? 238 ASN A C 1 ATOM 1472 O O . ASN A 1 211 ? -47.035 2.760 -50.111 1.00 79.82 ? 238 ASN A O 1 ATOM 1473 C CB . ASN A 1 211 ? -44.703 4.682 -49.578 1.00 86.92 ? 238 ASN A CB 1 ATOM 1474 C CG . ASN A 1 211 ? -44.598 5.903 -48.665 1.00 91.81 ? 238 ASN A CG 1 ATOM 1475 O OD1 . ASN A 1 211 ? -45.097 5.906 -47.532 1.00 90.74 ? 238 ASN A OD1 1 ATOM 1476 N ND2 . ASN A 1 211 ? -43.948 6.955 -49.167 1.00 102.23 ? 238 ASN A ND2 1 ATOM 1477 N N . LEU A 1 212 ? -45.294 1.331 -50.150 1.00 80.14 ? 239 LEU A N 1 ATOM 1478 C CA . LEU A 1 212 ? -45.964 0.321 -50.980 1.00 80.81 ? 239 LEU A CA 1 ATOM 1479 C C . LEU A 1 212 ? -46.005 -1.090 -50.363 1.00 79.92 ? 239 LEU A C 1 ATOM 1480 O O . LEU A 1 212 ? -46.438 -2.033 -51.032 1.00 81.35 ? 239 LEU A O 1 ATOM 1481 C CB . LEU A 1 212 ? -45.281 0.255 -52.354 1.00 83.56 ? 239 LEU A CB 1 ATOM 1482 C CG . LEU A 1 212 ? -45.172 1.562 -53.147 1.00 84.13 ? 239 LEU A CG 1 ATOM 1483 C CD1 . LEU A 1 212 ? -44.303 1.346 -54.377 1.00 87.32 ? 239 LEU A CD1 1 ATOM 1484 C CD2 . LEU A 1 212 ? -46.546 2.091 -53.539 1.00 83.56 ? 239 LEU A CD2 1 ATOM 1485 N N . THR A 1 213 ? -45.570 -1.238 -49.108 1.00 76.81 ? 240 THR A N 1 ATOM 1486 C CA . THR A 1 213 ? -45.553 -2.537 -48.424 1.00 76.34 ? 240 THR A CA 1 ATOM 1487 C C . THR A 1 213 ? -46.289 -2.418 -47.086 1.00 73.51 ? 240 THR A C 1 ATOM 1488 O O . THR A 1 213 ? -45.916 -1.609 -46.236 1.00 70.93 ? 240 THR A O 1 ATOM 1489 C CB . THR A 1 213 ? -44.118 -3.039 -48.173 1.00 77.41 ? 240 THR A CB 1 ATOM 1490 O OG1 . THR A 1 213 ? -43.326 -2.856 -49.350 1.00 79.37 ? 240 THR A OG1 1 ATOM 1491 C CG2 . THR A 1 213 ? -44.115 -4.521 -47.792 1.00 78.52 ? 240 THR A CG2 1 ATOM 1492 N N . TYR A 1 214 ? -47.327 -3.235 -46.915 1.00 73.54 ? 241 TYR A N 1 ATOM 1493 C CA . TYR A 1 214 ? -48.196 -3.186 -45.745 1.00 71.34 ? 241 TYR A CA 1 ATOM 1494 C C . TYR A 1 214 ? -48.427 -4.568 -45.144 1.00 72.32 ? 241 TYR A C 1 ATOM 1495 O O . TYR A 1 214 ? -48.159 -5.595 -45.777 1.00 74.07 ? 241 TYR A O 1 ATOM 1496 C CB . TYR A 1 214 ? -49.539 -2.557 -46.120 1.00 70.75 ? 241 TYR A CB 1 ATOM 1497 C CG . TYR A 1 214 ? -49.408 -1.113 -46.526 1.00 70.46 ? 241 TYR A CG 1 ATOM 1498 C CD1 . TYR A 1 214 ? -49.079 -0.756 -47.844 1.00 72.78 ? 241 TYR A CD1 1 ATOM 1499 C CD2 . TYR A 1 214 ? -49.584 -0.097 -45.595 1.00 68.01 ? 241 TYR A CD2 1 ATOM 1500 C CE1 . TYR A 1 214 ? -48.940 0.576 -48.209 1.00 72.45 ? 241 TYR A CE1 1 ATOM 1501 C CE2 . TYR A 1 214 ? -49.451 1.233 -45.950 1.00 67.91 ? 241 TYR A CE2 1 ATOM 1502 C CZ . TYR A 1 214 ? -49.131 1.567 -47.251 1.00 70.11 ? 241 TYR A CZ 1 ATOM 1503 O OH . TYR A 1 214 ? -49.001 2.892 -47.579 1.00 70.56 ? 241 TYR A OH 1 ATOM 1504 N N . VAL A 1 215 ? -48.915 -4.564 -43.907 1.00 70.77 ? 242 VAL A N 1 ATOM 1505 C CA . VAL A 1 215 ? -49.319 -5.772 -43.197 1.00 71.69 ? 242 VAL A CA 1 ATOM 1506 C C . VAL A 1 215 ? -50.721 -5.543 -42.649 1.00 71.00 ? 242 VAL A C 1 ATOM 1507 O O . VAL A 1 215 ? -51.007 -4.484 -42.089 1.00 68.44 ? 242 VAL A O 1 ATOM 1508 C CB . VAL A 1 215 ? -48.362 -6.096 -42.034 1.00 71.02 ? 242 VAL A CB 1 ATOM 1509 C CG1 . VAL A 1 215 ? -48.892 -7.264 -41.203 1.00 71.70 ? 242 VAL A CG1 1 ATOM 1510 C CG2 . VAL A 1 215 ? -46.965 -6.396 -42.565 1.00 72.58 ? 242 VAL A CG2 1 ATOM 1511 N N . GLN A 1 216 ? -51.580 -6.546 -42.798 1.00 73.59 ? 243 GLN A N 1 ATOM 1512 C CA . GLN A 1 216 ? -52.961 -6.459 -42.328 1.00 73.91 ? 243 GLN A CA 1 ATOM 1513 C C . GLN A 1 216 ? -52.957 -6.568 -40.808 1.00 72.24 ? 243 GLN A C 1 ATOM 1514 O O . GLN A 1 216 ? -52.393 -7.506 -40.258 1.00 72.46 ? 243 GLN A O 1 ATOM 1515 C CB . GLN A 1 216 ? -53.810 -7.561 -42.966 1.00 77.75 ? 243 GLN A CB 1 ATOM 1516 C CG . GLN A 1 216 ? -55.279 -7.195 -43.144 1.00 79.04 ? 243 GLN A CG 1 ATOM 1517 C CD . GLN A 1 216 ? -55.937 -7.893 -44.327 1.00 82.84 ? 243 GLN A CD 1 ATOM 1518 O OE1 . GLN A 1 216 ? -55.271 -8.318 -45.276 1.00 85.31 ? 243 GLN A OE1 1 ATOM 1519 N NE2 . GLN A 1 216 ? -57.262 -7.996 -44.283 1.00 84.33 ? 243 GLN A NE2 1 ATOM 1520 N N . LEU A 1 217 ? -53.564 -5.591 -40.140 1.00 70.90 ? 244 LEU A N 1 ATOM 1521 C CA . LEU A 1 217 ? -53.442 -5.451 -38.688 1.00 70.07 ? 244 LEU A CA 1 ATOM 1522 C C . LEU A 1 217 ? -54.488 -6.264 -37.932 1.00 71.58 ? 244 LEU A C 1 ATOM 1523 O O . LEU A 1 217 ? -55.658 -6.297 -38.310 1.00 72.49 ? 244 LEU A O 1 ATOM 1524 C CB . LEU A 1 217 ? -53.551 -3.980 -38.278 1.00 67.17 ? 244 LEU A CB 1 ATOM 1525 C CG . LEU A 1 217 ? -53.182 -3.649 -36.825 1.00 65.38 ? 244 LEU A CG 1 ATOM 1526 C CD1 . LEU A 1 217 ? -51.680 -3.753 -36.607 1.00 65.56 ? 244 LEU A CD1 1 ATOM 1527 C CD2 . LEU A 1 217 ? -53.682 -2.263 -36.452 1.00 63.11 ? 244 LEU A CD2 1 ATOM 1528 N N . GLU A 1 218 ? -54.038 -6.902 -36.855 1.00 72.98 ? 245 GLU A N 1 ATOM 1529 C CA . GLU A 1 218 ? -54.889 -7.616 -35.909 1.00 74.04 ? 245 GLU A CA 1 ATOM 1530 C C . GLU A 1 218 ? -54.729 -6.946 -34.547 1.00 71.27 ? 245 GLU A C 1 ATOM 1531 O O . GLU A 1 218 ? -53.691 -6.341 -34.272 1.00 68.75 ? 245 GLU A O 1 ATOM 1532 C CB . GLU A 1 218 ? -54.463 -9.084 -35.806 1.00 77.50 ? 245 GLU A CB 1 ATOM 1533 C CG . GLU A 1 218 ? -54.281 -9.820 -37.133 1.00 80.82 ? 245 GLU A CG 1 ATOM 1534 C CD . GLU A 1 218 ? -55.587 -10.285 -37.756 1.00 83.28 ? 245 GLU A CD 1 ATOM 1535 O OE1 . GLU A 1 218 ? -55.575 -11.335 -38.433 1.00 86.20 ? 245 GLU A OE1 1 ATOM 1536 O OE2 . GLU A 1 218 ? -56.622 -9.608 -37.574 1.00 83.63 ? 245 GLU A OE2 1 ATOM 1537 N N . SER A 1 219 ? -55.750 -7.078 -33.699 1.00 71.20 ? 246 SER A N 1 ATOM 1538 C CA . SER A 1 219 ? -55.716 -6.574 -32.313 1.00 69.65 ? 246 SER A CA 1 ATOM 1539 C C . SER A 1 219 ? -54.595 -7.185 -31.475 1.00 69.51 ? 246 SER A C 1 ATOM 1540 O O . SER A 1 219 ? -54.026 -6.520 -30.609 1.00 68.20 ? 246 SER A O 1 ATOM 1541 C CB . SER A 1 219 ? -57.048 -6.855 -31.616 1.00 70.92 ? 246 SER A CB 1 ATOM 1542 O OG . SER A 1 219 ? -58.103 -6.163 -32.254 1.00 71.73 ? 246 SER A OG 1 ATOM 1543 N N . ARG A 1 220 ? -54.289 -8.450 -31.743 1.00 71.00 ? 247 ARG A N 1 ATOM 1544 C CA . ARG A 1 220 ? -53.270 -9.195 -31.001 1.00 72.04 ? 247 ARG A CA 1 ATOM 1545 C C . ARG A 1 220 ? -51.805 -8.796 -31.253 1.00 70.81 ? 247 ARG A C 1 ATOM 1546 O O . ARG A 1 220 ? -50.918 -9.315 -30.571 1.00 72.44 ? 247 ARG A O 1 ATOM 1547 C CB . ARG A 1 220 ? -53.446 -10.707 -31.242 1.00 75.37 ? 247 ARG A CB 1 ATOM 1548 C CG . ARG A 1 220 ? -53.088 -11.202 -32.644 1.00 77.26 ? 247 ARG A CG 1 ATOM 1549 C CD . ARG A 1 220 ? -53.748 -12.542 -32.963 1.00 80.46 ? 247 ARG A CD 1 ATOM 1550 N NE . ARG A 1 220 ? -53.531 -12.956 -34.356 1.00 82.13 ? 247 ARG A NE 1 ATOM 1551 C CZ . ARG A 1 220 ? -52.572 -13.780 -34.799 1.00 84.72 ? 247 ARG A CZ 1 ATOM 1552 N NH1 . ARG A 1 220 ? -52.505 -14.058 -36.102 1.00 86.25 ? 247 ARG A NH1 1 ATOM 1553 N NH2 . ARG A 1 220 ? -51.675 -14.332 -33.979 1.00 85.51 ? 247 ARG A NH2 1 ATOM 1554 N N . PHE A 1 221 ? -51.539 -7.901 -32.209 1.00 68.37 ? 248 PHE A N 1 ATOM 1555 C CA . PHE A 1 221 ? -50.162 -7.499 -32.517 1.00 67.53 ? 248 PHE A CA 1 ATOM 1556 C C . PHE A 1 221 ? -49.673 -6.409 -31.569 1.00 65.31 ? 248 PHE A C 1 ATOM 1557 O O . PHE A 1 221 ? -50.243 -5.317 -31.520 1.00 63.31 ? 248 PHE A O 1 ATOM 1558 C CB . PHE A 1 221 ? -50.022 -6.993 -33.965 1.00 67.49 ? 248 PHE A CB 1 ATOM 1559 C CG . PHE A 1 221 ? -50.337 -8.015 -35.038 1.00 69.32 ? 248 PHE A CG 1 ATOM 1560 C CD1 . PHE A 1 221 ? -50.464 -9.381 -34.769 1.00 71.25 ? 248 PHE A CD1 1 ATOM 1561 C CD2 . PHE A 1 221 ? -50.462 -7.589 -36.358 1.00 69.35 ? 248 PHE A CD2 1 ATOM 1562 C CE1 . PHE A 1 221 ? -50.744 -10.278 -35.787 1.00 73.60 ? 248 PHE A CE1 1 ATOM 1563 C CE2 . PHE A 1 221 ? -50.743 -8.483 -37.376 1.00 71.29 ? 248 PHE A CE2 1 ATOM 1564 C CZ . PHE A 1 221 ? -50.882 -9.828 -37.091 1.00 73.54 ? 248 PHE A CZ 1 ATOM 1565 N N . THR A 1 222 ? -48.602 -6.708 -30.839 1.00 65.52 ? 249 THR A N 1 ATOM 1566 C CA . THR A 1 222 ? -47.974 -5.747 -29.942 1.00 63.72 ? 249 THR A CA 1 ATOM 1567 C C . THR A 1 222 ? -47.036 -4.841 -30.745 1.00 62.83 ? 249 THR A C 1 ATOM 1568 O O . THR A 1 222 ? -46.674 -5.181 -31.872 1.00 63.91 ? 249 THR A O 1 ATOM 1569 C CB . THR A 1 222 ? -47.170 -6.470 -28.848 1.00 65.32 ? 249 THR A CB 1 ATOM 1570 O OG1 . THR A 1 222 ? -46.164 -7.288 -29.456 1.00 68.03 ? 249 THR A OG1 1 ATOM 1571 C CG2 . THR A 1 222 ? -48.083 -7.348 -28.009 1.00 66.16 ? 249 THR A CG2 1 ATOM 1572 N N . PRO A 1 223 ? -46.635 -3.685 -30.175 1.00 61.13 ? 250 PRO A N 1 ATOM 1573 C CA . PRO A 1 223 ? -45.624 -2.840 -30.831 1.00 60.47 ? 250 PRO A CA 1 ATOM 1574 C C . PRO A 1 223 ? -44.306 -3.560 -31.134 1.00 62.77 ? 250 PRO A C 1 ATOM 1575 O O . PRO A 1 223 ? -43.706 -3.321 -32.183 1.00 63.04 ? 250 PRO A O 1 ATOM 1576 C CB . PRO A 1 223 ? -45.379 -1.724 -29.813 1.00 59.04 ? 250 PRO A CB 1 ATOM 1577 C CG . PRO A 1 223 ? -46.617 -1.675 -28.984 1.00 58.06 ? 250 PRO A CG 1 ATOM 1578 C CD . PRO A 1 223 ? -47.129 -3.077 -28.923 1.00 59.54 ? 250 PRO A CD 1 ATOM 1579 N N . GLN A 1 224 ? -43.888 -4.446 -30.228 1.00 63.75 ? 251 GLN A N 1 ATOM 1580 C CA . GLN A 1 224 ? -42.620 -5.165 -30.347 1.00 66.02 ? 251 GLN A CA 1 ATOM 1581 C C . GLN A 1 224 ? -42.682 -6.173 -31.500 1.00 67.31 ? 251 GLN A C 1 ATOM 1582 O O . GLN A 1 224 ? -41.702 -6.357 -32.224 1.00 68.53 ? 251 GLN A O 1 ATOM 1583 C CB . GLN A 1 224 ? -42.271 -5.890 -29.038 1.00 68.00 ? 251 GLN A CB 1 ATOM 1584 C CG . GLN A 1 224 ? -41.938 -4.983 -27.850 1.00 67.82 ? 251 GLN A CG 1 ATOM 1585 C CD . GLN A 1 224 ? -43.153 -4.369 -27.137 1.00 66.23 ? 251 GLN A CD 1 ATOM 1586 O OE1 . GLN A 1 224 ? -44.308 -4.747 -27.374 1.00 65.23 ? 251 GLN A OE1 1 ATOM 1587 N NE2 . GLN A 1 224 ? -42.887 -3.404 -26.262 1.00 66.00 ? 251 GLN A NE2 1 ATOM 1588 N N . PHE A 1 225 ? -43.833 -6.825 -31.655 1.00 66.58 ? 252 PHE A N 1 ATOM 1589 C CA . PHE A 1 225 ? -44.079 -7.709 -32.789 1.00 68.12 ? 252 PHE A CA 1 ATOM 1590 C C . PHE A 1 225 ? -44.099 -6.948 -34.116 1.00 67.17 ? 252 PHE A C 1 ATOM 1591 O O . PHE A 1 225 ? -43.511 -7.403 -35.095 1.00 69.01 ? 252 PHE A O 1 ATOM 1592 C CB . PHE A 1 225 ? -45.394 -8.469 -32.609 1.00 68.39 ? 252 PHE A CB 1 ATOM 1593 C CG . PHE A 1 225 ? -45.729 -9.377 -33.762 1.00 70.25 ? 252 PHE A CG 1 ATOM 1594 C CD1 . PHE A 1 225 ? -46.759 -9.057 -34.644 1.00 69.53 ? 252 PHE A CD1 1 ATOM 1595 C CD2 . PHE A 1 225 ? -45.003 -10.541 -33.978 1.00 73.05 ? 252 PHE A CD2 1 ATOM 1596 C CE1 . PHE A 1 225 ? -47.064 -9.888 -35.715 1.00 71.55 ? 252 PHE A CE1 1 ATOM 1597 C CE2 . PHE A 1 225 ? -45.301 -11.378 -35.049 1.00 75.15 ? 252 PHE A CE2 1 ATOM 1598 C CZ . PHE A 1 225 ? -46.334 -11.052 -35.918 1.00 74.30 ? 252 PHE A CZ 1 ATOM 1599 N N . LEU A 1 226 ? -44.781 -5.805 -34.146 1.00 64.82 ? 253 LEU A N 1 ATOM 1600 C CA . LEU A 1 226 ? -44.848 -4.986 -35.358 1.00 64.27 ? 253 LEU A CA 1 ATOM 1601 C C . LEU A 1 226 ? -43.456 -4.545 -35.815 1.00 65.32 ? 253 LEU A C 1 ATOM 1602 O O . LEU A 1 226 ? -43.135 -4.672 -36.996 1.00 65.99 ? 253 LEU A O 1 ATOM 1603 C CB . LEU A 1 226 ? -45.762 -3.770 -35.162 1.00 61.35 ? 253 LEU A CB 1 ATOM 1604 C CG . LEU A 1 226 ? -47.266 -4.043 -35.064 1.00 60.62 ? 253 LEU A CG 1 ATOM 1605 C CD1 . LEU A 1 226 ? -48.010 -2.747 -34.788 1.00 58.34 ? 253 LEU A CD1 1 ATOM 1606 C CD2 . LEU A 1 226 ? -47.811 -4.707 -36.322 1.00 62.04 ? 253 LEU A CD2 1 ATOM 1607 N N . LEU A 1 227 ? -42.635 -4.068 -34.878 1.00 65.19 ? 254 LEU A N 1 ATOM 1608 C CA . LEU A 1 227 ? -41.270 -3.631 -35.188 1.00 67.02 ? 254 LEU A CA 1 ATOM 1609 C C . LEU A 1 227 ? -40.352 -4.779 -35.616 1.00 70.92 ? 254 LEU A C 1 ATOM 1610 O O . LEU A 1 227 ? -39.480 -4.579 -36.464 1.00 71.70 ? 254 LEU A O 1 ATOM 1611 C CB . LEU A 1 227 ? -40.639 -2.893 -34.004 1.00 66.24 ? 254 LEU A CB 1 ATOM 1612 C CG . LEU A 1 227 ? -41.311 -1.593 -33.552 1.00 64.31 ? 254 LEU A CG 1 ATOM 1613 C CD1 . LEU A 1 227 ? -40.649 -1.083 -32.280 1.00 64.14 ? 254 LEU A CD1 1 ATOM 1614 C CD2 . LEU A 1 227 ? -41.284 -0.532 -34.640 1.00 63.93 ? 254 LEU A CD2 1 ATOM 1615 N N . GLN A 1 228 ? -40.533 -5.958 -35.016 1.00 73.53 ? 255 GLN A N 1 ATOM 1616 C CA . GLN A 1 228 ? -39.769 -7.155 -35.397 1.00 77.87 ? 255 GLN A CA 1 ATOM 1617 C C . GLN A 1 228 ? -40.172 -7.664 -36.778 1.00 79.13 ? 255 GLN A C 1 ATOM 1618 O O . GLN A 1 228 ? -39.318 -8.032 -37.580 1.00 80.25 ? 255 GLN A O 1 ATOM 1619 C CB . GLN A 1 228 ? -39.931 -8.278 -34.364 1.00 80.14 ? 255 GLN A CB 1 ATOM 1620 C CG . GLN A 1 228 ? -39.086 -8.077 -33.115 1.00 81.59 ? 255 GLN A CG 1 ATOM 1621 C CD . GLN A 1 228 ? -39.347 -9.123 -32.045 1.00 83.49 ? 255 GLN A CD 1 ATOM 1622 O OE1 . GLN A 1 228 ? -39.509 -10.310 -32.339 1.00 86.12 ? 255 GLN A OE1 1 ATOM 1623 N NE2 . GLN A 1 228 ? -39.376 -8.685 -30.791 1.00 82.87 ? 255 GLN A NE2 1 ATOM 1624 N N . LEU A 1 229 ? -41.477 -7.683 -37.033 1.00 78.80 ? 256 LEU A N 1 ATOM 1625 C CA . LEU A 1 229 ? -42.022 -8.059 -38.333 1.00 80.88 ? 256 LEU A CA 1 ATOM 1626 C C . LEU A 1 229 ? -41.511 -7.148 -39.452 1.00 82.26 ? 256 LEU A C 1 ATOM 1627 O O . LEU A 1 229 ? -41.098 -7.636 -40.507 1.00 83.83 ? 256 LEU A O 1 ATOM 1628 C CB . LEU A 1 229 ? -43.551 -8.022 -38.286 1.00 79.38 ? 256 LEU A CB 1 ATOM 1629 C CG . LEU A 1 229 ? -44.332 -8.459 -39.525 1.00 80.51 ? 256 LEU A CG 1 ATOM 1630 C CD1 . LEU A 1 229 ? -43.984 -9.884 -39.924 1.00 83.64 ? 256 LEU A CD1 1 ATOM 1631 C CD2 . LEU A 1 229 ? -45.818 -8.322 -39.246 1.00 79.29 ? 256 LEU A CD2 1 ATOM 1632 N N . ASN A 1 230 ? -41.534 -5.836 -39.211 1.00 81.65 ? 257 ASN A N 1 ATOM 1633 C CA . ASN A 1 230 ? -41.026 -4.856 -40.183 1.00 83.68 ? 257 ASN A CA 1 ATOM 1634 C C . ASN A 1 230 ? -39.527 -5.056 -40.468 1.00 85.23 ? 257 ASN A C 1 ATOM 1635 O O . ASN A 1 230 ? -39.119 -5.065 -41.630 1.00 85.97 ? 257 ASN A O 1 ATOM 1636 C CB . ASN A 1 230 ? -41.391 -3.405 -39.777 1.00 83.20 ? 257 ASN A CB 1 ATOM 1637 C CG . ASN A 1 230 ? -40.186 -2.489 -39.647 1.00 86.62 ? 257 ASN A CG 1 ATOM 1638 O OD1 . ASN A 1 230 ? -39.486 -2.531 -38.639 1.00 88.06 ? 257 ASN A OD1 1 ATOM 1639 N ND2 . ASN A 1 230 ? -39.946 -1.651 -40.647 1.00 90.34 ? 257 ASN A ND2 1 ATOM 1640 N N . GLU A 1 231 ? -38.732 -5.254 -39.418 1.00 84.95 ? 258 GLU A N 1 ATOM 1641 C CA . GLU A 1 231 ? -37.290 -5.491 -39.567 1.00 87.60 ? 258 GLU A CA 1 ATOM 1642 C C . GLU A 1 231 ? -36.984 -6.826 -40.269 1.00 89.40 ? 258 GLU A C 1 ATOM 1643 O O . GLU A 1 231 ? -36.006 -6.922 -41.014 1.00 91.10 ? 258 GLU A O 1 ATOM 1644 C CB . GLU A 1 231 ? -36.587 -5.416 -38.205 1.00 88.45 ? 258 GLU A CB 1 ATOM 1645 C CG . GLU A 1 231 ? -35.064 -5.324 -38.274 1.00 91.71 ? 258 GLU A CG 1 ATOM 1646 C CD . GLU A 1 231 ? -34.362 -6.628 -37.932 1.00 95.20 ? 258 GLU A CD 1 ATOM 1647 O OE1 . GLU A 1 231 ? -34.542 -7.117 -36.795 1.00 95.74 ? 258 GLU A OE1 1 ATOM 1648 O OE2 . GLU A 1 231 ? -33.612 -7.151 -38.787 1.00 98.44 ? 258 GLU A OE2 1 ATOM 1649 N N . THR A 1 232 ? -37.825 -7.837 -40.039 1.00 88.30 ? 259 THR A N 1 ATOM 1650 C CA . THR A 1 232 ? -37.736 -9.117 -40.753 1.00 90.27 ? 259 THR A CA 1 ATOM 1651 C C . THR A 1 232 ? -38.044 -8.952 -42.244 1.00 90.38 ? 259 THR A C 1 ATOM 1652 O O . THR A 1 232 ? -37.359 -9.534 -43.084 1.00 92.56 ? 259 THR A O 1 ATOM 1653 C CB . THR A 1 232 ? -38.698 -10.172 -40.156 1.00 90.08 ? 259 THR A CB 1 ATOM 1654 O OG1 . THR A 1 232 ? -38.434 -10.326 -38.757 1.00 89.75 ? 259 THR A OG1 1 ATOM 1655 C CG2 . THR A 1 232 ? -38.539 -11.528 -40.843 1.00 93.21 ? 259 THR A CG2 1 ATOM 1656 N N . ILE A 1 233 ? -39.075 -8.166 -42.558 1.00 87.60 ? 260 ILE A N 1 ATOM 1657 C CA . ILE A 1 233 ? -39.473 -7.896 -43.947 1.00 87.58 ? 260 ILE A CA 1 ATOM 1658 C C . ILE A 1 233 ? -38.365 -7.170 -44.726 1.00 88.72 ? 260 ILE A C 1 ATOM 1659 O O . ILE A 1 233 ? -38.081 -7.524 -45.873 1.00 91.01 ? 260 ILE A O 1 ATOM 1660 C CB . ILE A 1 233 ? -40.827 -7.136 -44.008 1.00 84.58 ? 260 ILE A CB 1 ATOM 1661 C CG1 . ILE A 1 233 ? -41.963 -8.097 -43.632 1.00 84.08 ? 260 ILE A CG1 1 ATOM 1662 C CG2 . ILE A 1 233 ? -41.091 -6.553 -45.397 1.00 85.11 ? 260 ILE A CG2 1 ATOM 1663 C CD1 . ILE A 1 233 ? -43.291 -7.431 -43.350 1.00 81.54 ? 260 ILE A CD1 1 ATOM 1664 N N . TYR A 1 234 ? -37.747 -6.171 -44.099 1.00 87.25 ? 261 TYR A N 1 ATOM 1665 C CA . TYR A 1 234 ? -36.631 -5.434 -44.712 1.00 88.55 ? 261 TYR A CA 1 ATOM 1666 C C . TYR A 1 234 ? -35.399 -6.310 -44.976 1.00 91.98 ? 261 TYR A C 1 ATOM 1667 O O . TYR A 1 234 ? -34.847 -6.274 -46.075 1.00 94.97 ? 261 TYR A O 1 ATOM 1668 C CB . TYR A 1 234 ? -36.228 -4.222 -43.856 1.00 86.49 ? 261 TYR A CB 1 ATOM 1669 C CG . TYR A 1 234 ? -36.911 -2.922 -44.227 1.00 84.30 ? 261 TYR A CG 1 ATOM 1670 C CD1 . TYR A 1 234 ? -38.167 -2.596 -43.722 1.00 81.73 ? 261 TYR A CD1 1 ATOM 1671 C CD2 . TYR A 1 234 ? -36.283 -2.000 -45.062 1.00 85.25 ? 261 TYR A CD2 1 ATOM 1672 C CE1 . TYR A 1 234 ? -38.784 -1.397 -44.050 1.00 80.36 ? 261 TYR A CE1 1 ATOM 1673 C CE2 . TYR A 1 234 ? -36.891 -0.800 -45.398 1.00 83.61 ? 261 TYR A CE2 1 ATOM 1674 C CZ . TYR A 1 234 ? -38.139 -0.502 -44.890 1.00 81.15 ? 261 TYR A CZ 1 ATOM 1675 O OH . TYR A 1 234 ? -38.746 0.683 -45.217 1.00 80.02 ? 261 TYR A OH 1 ATOM 1676 N N . THR A 1 235 ? -34.977 -7.088 -43.979 1.00 92.87 ? 262 THR A N 1 ATOM 1677 C CA . THR A 1 235 ? -33.768 -7.922 -44.094 1.00 96.59 ? 262 THR A CA 1 ATOM 1678 C C . THR A 1 235 ? -33.969 -9.182 -44.938 1.00 99.06 ? 262 THR A C 1 ATOM 1679 O O . THR A 1 235 ? -33.046 -9.607 -45.636 1.00 102.71 ? 262 THR A O 1 ATOM 1680 C CB . THR A 1 235 ? -33.205 -8.329 -42.716 1.00 97.13 ? 262 THR A CB 1 ATOM 1681 O OG1 . THR A 1 235 ? -34.203 -9.033 -41.966 1.00 96.14 ? 262 THR A OG1 1 ATOM 1682 C CG2 . THR A 1 235 ? -32.745 -7.096 -41.941 1.00 95.50 ? 262 THR A CG2 1 ATOM 1683 N N . SER A 1 236 ? -35.156 -9.785 -44.869 1.00 97.77 ? 263 SER A N 1 ATOM 1684 C CA . SER A 1 236 ? -35.505 -10.909 -45.754 1.00 99.92 ? 263 SER A CA 1 ATOM 1685 C C . SER A 1 236 ? -35.732 -10.476 -47.205 1.00 100.48 ? 263 SER A C 1 ATOM 1686 O O . SER A 1 236 ? -35.664 -11.304 -48.106 1.00 103.63 ? 263 SER A O 1 ATOM 1687 C CB . SER A 1 236 ? -36.750 -11.643 -45.253 1.00 98.86 ? 263 SER A CB 1 ATOM 1688 O OG . SER A 1 236 ? -36.582 -12.103 -43.925 1.00 98.85 ? 263 SER A OG 1 ATOM 1689 N N . GLY A 1 237 ? -36.021 -9.192 -47.421 1.00 98.58 ? 264 GLY A N 1 ATOM 1690 C CA . GLY A 1 237 ? -36.214 -8.639 -48.760 1.00 99.06 ? 264 GLY A CA 1 ATOM 1691 C C . GLY A 1 237 ? -37.603 -8.927 -49.294 1.00 98.34 ? 264 GLY A C 1 ATOM 1692 O O . GLY A 1 237 ? -37.753 -9.333 -50.444 1.00 100.67 ? 264 GLY A O 1 ATOM 1693 N N . LYS A 1 238 ? -38.618 -8.713 -48.456 1.00 95.70 ? 265 LYS A N 1 ATOM 1694 C CA . LYS A 1 238 ? -40.014 -8.979 -48.822 1.00 94.84 ? 265 LYS A CA 1 ATOM 1695 C C . LYS A 1 238 ? -40.843 -7.692 -48.928 1.00 91.77 ? 265 LYS A C 1 ATOM 1696 O O . LYS A 1 238 ? -42.058 -7.697 -48.728 1.00 89.51 ? 265 LYS A O 1 ATOM 1697 C CB . LYS A 1 238 ? -40.627 -10.005 -47.852 1.00 94.68 ? 265 LYS A CB 1 ATOM 1698 C CG . LYS A 1 238 ? -40.389 -11.455 -48.275 1.00 98.46 ? 265 LYS A CG 1 ATOM 1699 C CD . LYS A 1 238 ? -39.020 -11.979 -47.861 1.00 100.34 ? 265 LYS A CD 1 ATOM 1700 C CE . LYS A 1 238 ? -38.757 -13.388 -48.380 1.00 103.79 ? 265 LYS A CE 1 ATOM 1701 N NZ . LYS A 1 238 ? -38.476 -13.447 -49.844 1.00 106.28 ? 265 LYS A NZ 1 ATOM 1702 N N . ARG A 1 239 ? -40.170 -6.600 -49.286 1.00 92.04 ? 266 ARG A N 1 ATOM 1703 C CA . ARG A 1 239 ? -40.828 -5.348 -49.640 1.00 90.82 ? 266 ARG A CA 1 ATOM 1704 C C . ARG A 1 239 ? -41.262 -5.419 -51.095 1.00 93.69 ? 266 ARG A C 1 ATOM 1705 O O . ARG A 1 239 ? -40.792 -6.275 -51.853 1.00 95.96 ? 266 ARG A O 1 ATOM 1706 C CB . ARG A 1 239 ? -39.872 -4.170 -49.469 1.00 90.37 ? 266 ARG A CB 1 ATOM 1707 C CG . ARG A 1 239 ? -39.306 -4.004 -48.064 1.00 89.06 ? 266 ARG A CG 1 ATOM 1708 C CD . ARG A 1 239 ? -38.065 -3.131 -48.090 1.00 89.78 ? 266 ARG A CD 1 ATOM 1709 N NE . ARG A 1 239 ? -38.380 -1.771 -48.526 1.00 88.78 ? 266 ARG A NE 1 ATOM 1710 C CZ . ARG A 1 239 ? -37.499 -0.875 -48.977 1.00 89.80 ? 266 ARG A CZ 1 ATOM 1711 N NH1 . ARG A 1 239 ? -36.198 -1.160 -49.079 1.00 92.17 ? 266 ARG A NH1 1 ATOM 1712 N NH2 . ARG A 1 239 ? -37.931 0.329 -49.340 1.00 89.00 ? 266 ARG A NH2 1 ATOM 1713 N N . SER A 1 240 ? -42.145 -4.505 -51.482 1.00 93.77 ? 267 SER A N 1 ATOM 1714 C CA . SER A 1 240 ? -42.619 -4.417 -52.860 1.00 97.06 ? 267 SER A CA 1 ATOM 1715 C C . SER A 1 240 ? -41.489 -3.961 -53.788 1.00 101.70 ? 267 SER A C 1 ATOM 1716 O O . SER A 1 240 ? -40.831 -2.959 -53.519 1.00 100.67 ? 267 SER A O 1 ATOM 1717 C CB . SER A 1 240 ? -43.797 -3.445 -52.950 1.00 94.52 ? 267 SER A CB 1 ATOM 1718 O OG . SER A 1 240 ? -44.390 -3.464 -54.234 1.00 95.90 ? 267 SER A OG 1 ATOM 1719 N N . ASN A 1 241 ? -41.257 -4.716 -54.861 1.00 108.87 ? 268 ASN A N 1 ATOM 1720 C CA . ASN A 1 241 ? -40.300 -4.324 -55.914 1.00 114.41 ? 268 ASN A CA 1 ATOM 1721 C C . ASN A 1 241 ? -41.088 -4.111 -57.203 1.00 113.33 ? 268 ASN A C 1 ATOM 1722 O O . ASN A 1 241 ? -40.800 -4.692 -58.246 1.00 117.57 ? 268 ASN A O 1 ATOM 1723 C CB . ASN A 1 241 ? -39.132 -5.325 -56.060 1.00 121.89 ? 268 ASN A CB 1 ATOM 1724 C CG . ASN A 1 241 ? -39.564 -6.777 -55.948 1.00 129.53 ? 268 ASN A CG 1 ATOM 1725 O OD1 . ASN A 1 241 ? -40.575 -7.179 -56.526 1.00 129.56 ? 268 ASN A OD1 1 ATOM 1726 N ND2 . ASN A 1 241 ? -38.791 -7.573 -55.201 1.00 139.33 ? 268 ASN A ND2 1 ATOM 1727 N N . THR A 1 242 ? -42.093 -3.247 -57.091 1.00 108.90 ? 269 THR A N 1 ATOM 1728 C CA . THR A 1 242 ? -43.097 -3.022 -58.126 1.00 108.34 ? 269 THR A CA 1 ATOM 1729 C C . THR A 1 242 ? -43.823 -1.721 -57.768 1.00 103.85 ? 269 THR A C 1 ATOM 1730 O O . THR A 1 242 ? -43.912 -1.367 -56.594 1.00 100.98 ? 269 THR A O 1 ATOM 1731 C CB . THR A 1 242 ? -44.085 -4.219 -58.200 1.00 109.43 ? 269 THR A CB 1 ATOM 1732 O OG1 . THR A 1 242 ? -43.369 -5.417 -58.530 1.00 112.45 ? 269 THR A OG1 1 ATOM 1733 C CG2 . THR A 1 242 ? -45.181 -4.026 -59.257 1.00 111.13 ? 269 THR A CG2 1 ATOM 1734 N N . THR A 1 243 ? -44.305 -1.005 -58.781 1.00 103.24 ? 270 THR A N 1 ATOM 1735 C CA . THR A 1 243 ? -45.088 0.232 -58.605 1.00 100.00 ? 270 THR A CA 1 ATOM 1736 C C . THR A 1 243 ? -46.312 0.104 -57.677 1.00 95.84 ? 270 THR A C 1 ATOM 1737 O O . THR A 1 243 ? -46.697 1.075 -57.022 1.00 92.58 ? 270 THR A O 1 ATOM 1738 C CB . THR A 1 243 ? -45.581 0.750 -59.979 1.00 102.24 ? 270 THR A CB 1 ATOM 1739 O OG1 . THR A 1 243 ? -44.480 0.793 -60.890 1.00 105.10 ? 270 THR A OG1 1 ATOM 1740 C CG2 . THR A 1 243 ? -46.204 2.149 -59.875 1.00 100.96 ? 270 THR A CG2 1 ATOM 1741 N N . GLY A 1 244 ? -46.921 -1.083 -57.654 1.00 95.49 ? 271 GLY A N 1 ATOM 1742 C CA . GLY A 1 244 ? -48.136 -1.358 -56.886 1.00 92.97 ? 271 GLY A CA 1 ATOM 1743 C C . GLY A 1 244 ? -47.966 -1.774 -55.432 1.00 89.82 ? 271 GLY A C 1 ATOM 1744 O O . GLY A 1 244 ? -46.852 -1.982 -54.936 1.00 88.77 ? 271 GLY A O 1 ATOM 1745 N N . LYS A 1 245 ? -49.112 -1.928 -54.774 1.00 87.78 ? 272 LYS A N 1 ATOM 1746 C CA . LYS A 1 245 ? -49.207 -2.095 -53.325 1.00 84.77 ? 272 LYS A CA 1 ATOM 1747 C C . LYS A 1 245 ? -49.121 -3.578 -52.932 1.00 85.29 ? 272 LYS A C 1 ATOM 1748 O O . LYS A 1 245 ? -49.843 -4.410 -53.484 1.00 87.56 ? 272 LYS A O 1 ATOM 1749 C CB . LYS A 1 245 ? -50.532 -1.491 -52.854 1.00 82.85 ? 272 LYS A CB 1 ATOM 1750 C CG . LYS A 1 245 ? -50.569 -1.044 -51.407 1.00 80.06 ? 272 LYS A CG 1 ATOM 1751 C CD . LYS A 1 245 ? -51.855 -0.274 -51.134 1.00 78.64 ? 272 LYS A CD 1 ATOM 1752 C CE . LYS A 1 245 ? -52.090 -0.026 -49.652 1.00 75.58 ? 272 LYS A CE 1 ATOM 1753 N NZ . LYS A 1 245 ? -53.477 0.455 -49.409 1.00 74.44 ? 272 LYS A NZ 1 ATOM 1754 N N . LEU A 1 246 ? -48.232 -3.894 -51.989 1.00 83.47 ? 273 LEU A N 1 ATOM 1755 C CA . LEU A 1 246 ? -48.050 -5.253 -51.474 1.00 83.73 ? 273 LEU A CA 1 ATOM 1756 C C . LEU A 1 246 ? -48.563 -5.334 -50.029 1.00 81.61 ? 273 LEU A C 1 ATOM 1757 O O . LEU A 1 246 ? -47.986 -4.714 -49.133 1.00 79.26 ? 273 LEU A O 1 ATOM 1758 C CB . LEU A 1 246 ? -46.567 -5.634 -51.531 1.00 84.33 ? 273 LEU A CB 1 ATOM 1759 C CG . LEU A 1 246 ? -46.157 -7.030 -51.039 1.00 85.19 ? 273 LEU A CG 1 ATOM 1760 C CD1 . LEU A 1 246 ? -46.921 -8.123 -51.771 1.00 87.41 ? 273 LEU A CD1 1 ATOM 1761 C CD2 . LEU A 1 246 ? -44.656 -7.232 -51.187 1.00 86.37 ? 273 LEU A CD2 1 ATOM 1762 N N . ILE A 1 247 ? -49.640 -6.095 -49.817 1.00 82.42 ? 274 ILE A N 1 ATOM 1763 C CA . ILE A 1 247 ? -50.242 -6.280 -48.490 1.00 81.12 ? 274 ILE A CA 1 ATOM 1764 C C . ILE A 1 247 ? -50.027 -7.720 -48.000 1.00 83.05 ? 274 ILE A C 1 ATOM 1765 O O . ILE A 1 247 ? -50.672 -8.652 -48.489 1.00 84.89 ? 274 ILE A O 1 ATOM 1766 C CB . ILE A 1 247 ? -51.754 -5.940 -48.491 1.00 80.47 ? 274 ILE A CB 1 ATOM 1767 C CG1 . ILE A 1 247 ? -51.974 -4.477 -48.907 1.00 79.17 ? 274 ILE A CG1 1 ATOM 1768 C CG2 . ILE A 1 247 ? -52.365 -6.187 -47.108 1.00 78.68 ? 274 ILE A CG2 1 ATOM 1769 C CD1 . ILE A 1 247 ? -53.411 -4.130 -49.246 1.00 79.26 ? 274 ILE A CD1 1 ATOM 1770 N N . TRP A 1 248 ? -49.119 -7.884 -47.036 1.00 83.06 ? 275 TRP A N 1 ATOM 1771 C CA . TRP A 1 248 ? -48.891 -9.170 -46.372 1.00 84.96 ? 275 TRP A CA 1 ATOM 1772 C C . TRP A 1 248 ? -49.984 -9.462 -45.346 1.00 85.57 ? 275 TRP A C 1 ATOM 1773 O O . TRP A 1 248 ? -50.614 -8.548 -44.815 1.00 83.37 ? 275 TRP A O 1 ATOM 1774 C CB . TRP A 1 248 ? -47.527 -9.195 -45.673 1.00 84.13 ? 275 TRP A CB 1 ATOM 1775 C CG . TRP A 1 248 ? -46.363 -9.110 -46.604 1.00 85.36 ? 275 TRP A CG 1 ATOM 1776 C CD1 . TRP A 1 248 ? -45.573 -8.024 -46.831 1.00 84.23 ? 275 TRP A CD1 1 ATOM 1777 C CD2 . TRP A 1 248 ? -45.854 -10.158 -47.436 1.00 88.42 ? 275 TRP A CD2 1 ATOM 1778 N NE1 . TRP A 1 248 ? -44.602 -8.326 -47.753 1.00 86.63 ? 275 TRP A NE1 1 ATOM 1779 C CE2 . TRP A 1 248 ? -44.750 -9.630 -48.142 1.00 89.12 ? 275 TRP A CE2 1 ATOM 1780 C CE3 . TRP A 1 248 ? -46.221 -11.493 -47.653 1.00 91.03 ? 275 TRP A CE3 1 ATOM 1781 C CZ2 . TRP A 1 248 ? -44.008 -10.391 -49.056 1.00 92.25 ? 275 TRP A CZ2 1 ATOM 1782 C CZ3 . TRP A 1 248 ? -45.481 -12.253 -48.565 1.00 94.07 ? 275 TRP A CZ3 1 ATOM 1783 C CH2 . TRP A 1 248 ? -44.389 -11.695 -49.255 1.00 94.55 ? 275 TRP A CH2 1 ATOM 1784 N N . LYS A 1 249 ? -50.195 -10.748 -45.078 1.00 90.07 ? 276 LYS A N 1 ATOM 1785 C CA . LYS A 1 249 ? -51.144 -11.212 -44.068 1.00 91.87 ? 276 LYS A CA 1 ATOM 1786 C C . LYS A 1 249 ? -50.475 -12.246 -43.162 1.00 94.81 ? 276 LYS A C 1 ATOM 1787 O O . LYS A 1 249 ? -49.543 -12.938 -43.577 1.00 97.14 ? 276 LYS A O 1 ATOM 1788 C CB . LYS A 1 249 ? -52.386 -11.807 -44.735 1.00 94.28 ? 276 LYS A CB 1 ATOM 1789 C CG . LYS A 1 249 ? -53.556 -12.015 -43.786 1.00 94.57 ? 276 LYS A CG 1 ATOM 1790 C CD . LYS A 1 249 ? -54.833 -12.381 -44.528 1.00 97.15 ? 276 LYS A CD 1 ATOM 1791 C CE . LYS A 1 249 ? -56.036 -12.409 -43.592 1.00 97.06 ? 276 LYS A CE 1 ATOM 1792 N NZ . LYS A 1 249 ? -56.553 -11.044 -43.277 1.00 94.74 ? 276 LYS A NZ 1 ATOM 1793 N N . VAL A 1 250 ? -50.961 -12.332 -41.927 1.00 96.15 ? 277 VAL A N 1 ATOM 1794 C CA . VAL A 1 250 ? -50.426 -13.230 -40.908 1.00 99.59 ? 277 VAL A CA 1 ATOM 1795 C C . VAL A 1 250 ? -51.576 -14.114 -40.414 1.00 103.32 ? 277 VAL A C 1 ATOM 1796 O O . VAL A 1 250 ? -52.425 -13.662 -39.645 1.00 103.35 ? 277 VAL A O 1 ATOM 1797 C CB . VAL A 1 250 ? -49.817 -12.421 -39.733 1.00 97.46 ? 277 VAL A CB 1 ATOM 1798 C CG1 . VAL A 1 250 ? -49.190 -13.344 -38.695 1.00 98.76 ? 277 VAL A CG1 1 ATOM 1799 C CG2 . VAL A 1 250 ? -48.798 -11.407 -40.247 1.00 96.13 ? 277 VAL A CG2 1 ATOM 1800 N N . ASN A 1 251 ? -51.614 -15.364 -40.873 1.00 109.72 ? 278 ASN A N 1 ATOM 1801 C CA . ASN A 1 251 ? -52.669 -16.315 -40.463 1.00 114.24 ? 278 ASN A CA 1 ATOM 1802 C C . ASN A 1 251 ? -52.496 -16.753 -38.992 1.00 115.84 ? 278 ASN A C 1 ATOM 1803 O O . ASN A 1 251 ? -51.377 -16.718 -38.473 1.00 114.85 ? 278 ASN A O 1 ATOM 1804 C CB . ASN A 1 251 ? -52.763 -17.517 -41.429 1.00 118.79 ? 278 ASN A CB 1 ATOM 1805 C CG . ASN A 1 251 ? -51.435 -18.226 -41.644 1.00 121.52 ? 278 ASN A CG 1 ATOM 1806 O OD1 . ASN A 1 251 ? -50.365 -17.655 -41.430 1.00 121.05 ? 278 ASN A OD1 1 ATOM 1807 N ND2 . ASN A 1 251 ? -51.501 -19.478 -42.088 1.00 125.01 ? 278 ASN A ND2 1 ATOM 1808 N N . PRO A 1 252 ? -53.601 -17.163 -38.320 1.00 119.14 ? 279 PRO A N 1 ATOM 1809 C CA . PRO A 1 252 ? -53.651 -17.201 -36.839 1.00 120.11 ? 279 PRO A CA 1 ATOM 1810 C C . PRO A 1 252 ? -52.604 -18.040 -36.081 1.00 123.48 ? 279 PRO A C 1 ATOM 1811 O O . PRO A 1 252 ? -52.340 -17.748 -34.911 1.00 122.20 ? 279 PRO A O 1 ATOM 1812 C CB . PRO A 1 252 ? -55.070 -17.722 -36.540 1.00 121.41 ? 279 PRO A CB 1 ATOM 1813 C CG . PRO A 1 252 ? -55.843 -17.510 -37.796 1.00 121.30 ? 279 PRO A CG 1 ATOM 1814 C CD . PRO A 1 252 ? -54.852 -17.689 -38.902 1.00 121.54 ? 279 PRO A CD 1 ATOM 1815 N N . GLU A 1 253 ? -52.017 -19.053 -36.724 1.00 128.68 ? 280 GLU A N 1 ATOM 1816 C CA . GLU A 1 253 ? -51.009 -19.912 -36.061 1.00 132.79 ? 280 GLU A CA 1 ATOM 1817 C C . GLU A 1 253 ? -49.631 -19.256 -35.822 1.00 132.18 ? 280 GLU A C 1 ATOM 1818 O O . GLU A 1 253 ? -48.758 -19.878 -35.215 1.00 133.87 ? 280 GLU A O 1 ATOM 1819 C CB . GLU A 1 253 ? -50.863 -21.277 -36.776 1.00 137.36 ? 280 GLU A CB 1 ATOM 1820 C CG . GLU A 1 253 ? -49.910 -21.360 -37.975 1.00 139.24 ? 280 GLU A CG 1 ATOM 1821 C CD . GLU A 1 253 ? -50.374 -20.587 -39.200 1.00 138.19 ? 280 GLU A CD 1 ATOM 1822 O OE1 . GLU A 1 253 ? -51.525 -20.097 -39.214 1.00 137.16 ? 280 GLU A OE1 1 ATOM 1823 O OE2 . GLU A 1 253 ? -49.581 -20.474 -40.161 1.00 138.72 ? 280 GLU A OE2 1 ATOM 1824 N N . ILE A 1 254 ? -49.436 -18.025 -36.305 1.00 130.63 ? 281 ILE A N 1 ATOM 1825 C CA . ILE A 1 254 ? -48.255 -17.222 -35.956 1.00 129.97 ? 281 ILE A CA 1 ATOM 1826 C C . ILE A 1 254 ? -48.381 -16.738 -34.511 1.00 129.95 ? 281 ILE A C 1 ATOM 1827 O O . ILE A 1 254 ? -49.415 -16.187 -34.123 1.00 127.99 ? 281 ILE A O 1 ATOM 1828 C CB . ILE A 1 254 ? -48.057 -16.015 -36.921 1.00 127.18 ? 281 ILE A CB 1 ATOM 1829 C CG1 . ILE A 1 254 ? -47.332 -16.458 -38.200 1.00 129.10 ? 281 ILE A CG1 1 ATOM 1830 C CG2 . ILE A 1 254 ? -47.263 -14.875 -36.274 1.00 124.23 ? 281 ILE A CG2 1 ATOM 1831 C CD1 . ILE A 1 254 ? -48.179 -17.270 -39.150 1.00 131.26 ? 281 ILE A CD1 1 ATOM 1832 N N . ASP A 1 255 ? -47.311 -16.927 -33.740 1.00 132.82 ? 282 ASP A N 1 ATOM 1833 C CA . ASP A 1 255 ? -47.251 -16.489 -32.345 1.00 133.05 ? 282 ASP A CA 1 ATOM 1834 C C . ASP A 1 255 ? -47.055 -14.971 -32.258 1.00 130.41 ? 282 ASP A C 1 ATOM 1835 O O . ASP A 1 255 ? -46.403 -14.370 -33.115 1.00 129.56 ? 282 ASP A O 1 ATOM 1836 C CB . ASP A 1 255 ? -46.109 -17.212 -31.611 1.00 135.73 ? 282 ASP A CB 1 ATOM 1837 C CG . ASP A 1 255 ? -45.973 -16.786 -30.154 1.00 134.95 ? 282 ASP A CG 1 ATOM 1838 O OD1 . ASP A 1 255 ? -47.007 -16.637 -29.468 1.00 134.66 ? 282 ASP A OD1 1 ATOM 1839 O OD2 . ASP A 1 255 ? -44.827 -16.598 -29.695 1.00 135.47 ? 282 ASP A OD2 1 ATOM 1840 N N . THR A 1 256 ? -47.643 -14.366 -31.227 1.00 129.58 ? 283 THR A N 1 ATOM 1841 C CA . THR A 1 256 ? -47.419 -12.957 -30.890 1.00 127.78 ? 283 THR A CA 1 ATOM 1842 C C . THR A 1 256 ? -47.505 -12.788 -29.367 1.00 130.14 ? 283 THR A C 1 ATOM 1843 O O . THR A 1 256 ? -48.112 -13.618 -28.682 1.00 132.31 ? 283 THR A O 1 ATOM 1844 C CB . THR A 1 256 ? -48.451 -12.037 -31.584 1.00 123.76 ? 283 THR A CB 1 ATOM 1845 O OG1 . THR A 1 256 ? -48.552 -12.372 -32.974 1.00 123.64 ? 283 THR A OG1 1 ATOM 1846 C CG2 . THR A 1 256 ? -48.057 -10.573 -31.459 1.00 120.05 ? 283 THR A CG2 1 ATOM 1847 N N . THR A 1 257 ? -46.883 -11.730 -28.843 1.00 130.57 ? 284 THR A N 1 ATOM 1848 C CA . THR A 1 257 ? -46.934 -11.410 -27.410 1.00 132.17 ? 284 THR A CA 1 ATOM 1849 C C . THR A 1 257 ? -48.303 -10.849 -27.007 1.00 130.69 ? 284 THR A C 1 ATOM 1850 O O . THR A 1 257 ? -49.351 -11.438 -27.295 1.00 130.46 ? 284 THR A O 1 ATOM 1851 C CB . THR A 1 257 ? -45.845 -10.377 -27.023 1.00 132.18 ? 284 THR A CB 1 ATOM 1852 O OG1 . THR A 1 257 ? -44.607 -10.708 -27.668 1.00 133.92 ? 284 THR A OG1 1 ATOM 1853 C CG2 . THR A 1 257 ? -45.636 -10.331 -25.499 1.00 132.09 ? 284 THR A CG2 1 ATOM 1854 N N . GLU A 1 260 ? -52.537 -12.941 -22.305 1.00 123.55 ? 287 GLU A N 1 ATOM 1855 C CA . GLU A 1 260 ? -52.785 -11.505 -22.244 1.00 120.69 ? 287 GLU A CA 1 ATOM 1856 C C . GLU A 1 260 ? -52.164 -10.897 -20.980 1.00 118.03 ? 287 GLU A C 1 ATOM 1857 O O . GLU A 1 260 ? -52.741 -10.980 -19.891 1.00 119.53 ? 287 GLU A O 1 ATOM 1858 C CB . GLU A 1 260 ? -54.290 -11.219 -22.298 1.00 121.34 ? 287 GLU A CB 1 ATOM 1859 C CG . GLU A 1 260 ? -54.913 -11.435 -23.671 1.00 122.19 ? 287 GLU A CG 1 ATOM 1860 C CD . GLU A 1 260 ? -56.326 -10.884 -23.765 1.00 122.00 ? 287 GLU A CD 1 ATOM 1861 O OE1 . GLU A 1 260 ? -57.155 -11.212 -22.889 1.00 123.96 ? 287 GLU A OE1 1 ATOM 1862 O OE2 . GLU A 1 260 ? -56.611 -10.124 -24.716 1.00 119.91 ? 287 GLU A OE2 1 ATOM 1863 N N . TRP A 1 261 ? -50.981 -10.301 -21.149 1.00 113.52 ? 288 TRP A N 1 ATOM 1864 C CA . TRP A 1 261 ? -50.214 -9.675 -20.066 1.00 109.63 ? 288 TRP A CA 1 ATOM 1865 C C . TRP A 1 261 ? -50.026 -8.174 -20.349 1.00 101.42 ? 288 TRP A C 1 ATOM 1866 O O . TRP A 1 261 ? -49.956 -7.755 -21.511 1.00 100.72 ? 288 TRP A O 1 ATOM 1867 C CB . TRP A 1 261 ? -48.847 -10.372 -19.916 1.00 114.05 ? 288 TRP A CB 1 ATOM 1868 C CG . TRP A 1 261 ? -48.730 -11.318 -18.730 1.00 119.58 ? 288 TRP A CG 1 ATOM 1869 C CD1 . TRP A 1 261 ? -47.974 -11.123 -17.605 1.00 121.82 ? 288 TRP A CD1 1 ATOM 1870 C CD2 . TRP A 1 261 ? -49.376 -12.592 -18.558 1.00 123.67 ? 288 TRP A CD2 1 ATOM 1871 N NE1 . TRP A 1 261 ? -48.110 -12.189 -16.746 1.00 125.45 ? 288 TRP A NE1 1 ATOM 1872 C CE2 . TRP A 1 261 ? -48.965 -13.103 -17.302 1.00 126.65 ? 288 TRP A CE2 1 ATOM 1873 C CE3 . TRP A 1 261 ? -50.265 -13.348 -19.338 1.00 124.89 ? 288 TRP A CE3 1 ATOM 1874 C CZ2 . TRP A 1 261 ? -49.411 -14.339 -16.808 1.00 130.17 ? 288 TRP A CZ2 1 ATOM 1875 C CZ3 . TRP A 1 261 ? -50.711 -14.581 -18.844 1.00 128.70 ? 288 TRP A CZ3 1 ATOM 1876 C CH2 . TRP A 1 261 ? -50.280 -15.061 -17.590 1.00 131.15 ? 288 TRP A CH2 1 ATOM 1877 N N . ALA A 1 262 ? -49.946 -7.377 -19.282 1.00 94.12 ? 289 ALA A N 1 ATOM 1878 C CA . ALA A 1 262 ? -49.724 -5.931 -19.394 1.00 86.38 ? 289 ALA A CA 1 ATOM 1879 C C . ALA A 1 262 ? -48.238 -5.625 -19.592 1.00 82.24 ? 289 ALA A C 1 ATOM 1880 O O . ALA A 1 262 ? -47.383 -6.380 -19.127 1.00 83.59 ? 289 ALA A O 1 ATOM 1881 C CB . ALA A 1 262 ? -50.255 -5.221 -18.160 1.00 85.63 ? 289 ALA A CB 1 ATOM 1882 N N . PHE A 1 263 ? -47.943 -4.510 -20.264 1.00 75.80 ? 290 PHE A N 1 ATOM 1883 C CA . PHE A 1 263 ? -46.563 -4.155 -20.670 1.00 73.43 ? 290 PHE A CA 1 ATOM 1884 C C . PHE A 1 263 ? -45.514 -4.110 -19.547 1.00 74.00 ? 290 PHE A C 1 ATOM 1885 O O . PHE A 1 263 ? -44.353 -4.436 -19.774 1.00 75.99 ? 290 PHE A O 1 ATOM 1886 C CB . PHE A 1 263 ? -46.542 -2.824 -21.449 1.00 69.90 ? 290 PHE A CB 1 ATOM 1887 C CG . PHE A 1 263 ? -46.859 -1.606 -20.612 1.00 66.88 ? 290 PHE A CG 1 ATOM 1888 C CD1 . PHE A 1 263 ? -45.865 -0.970 -19.870 1.00 66.68 ? 290 PHE A CD1 1 ATOM 1889 C CD2 . PHE A 1 263 ? -48.143 -1.079 -20.586 1.00 64.79 ? 290 PHE A CD2 1 ATOM 1890 C CE1 . PHE A 1 263 ? -46.149 0.160 -19.117 1.00 65.43 ? 290 PHE A CE1 1 ATOM 1891 C CE2 . PHE A 1 263 ? -48.437 0.046 -19.830 1.00 63.18 ? 290 PHE A CE2 1 ATOM 1892 C CZ . PHE A 1 263 ? -47.439 0.668 -19.093 1.00 63.41 ? 290 PHE A CZ 1 ATOM 1893 N N . TRP A 1 264 ? -45.928 -3.693 -18.352 1.00 72.81 ? 291 TRP A N 1 ATOM 1894 C CA . TRP A 1 264 ? -45.013 -3.524 -17.209 1.00 73.34 ? 291 TRP A CA 1 ATOM 1895 C C . TRP A 1 264 ? -44.594 -4.836 -16.532 1.00 78.89 ? 291 TRP A C 1 ATOM 1896 O O . TRP A 1 264 ? -43.622 -4.848 -15.774 1.00 80.25 ? 291 TRP A O 1 ATOM 1897 C CB . TRP A 1 264 ? -45.611 -2.563 -16.160 1.00 69.88 ? 291 TRP A CB 1 ATOM 1898 C CG . TRP A 1 264 ? -46.852 -3.071 -15.480 1.00 67.61 ? 291 TRP A CG 1 ATOM 1899 C CD1 . TRP A 1 264 ? -46.915 -3.905 -14.407 1.00 68.42 ? 291 TRP A CD1 1 ATOM 1900 C CD2 . TRP A 1 264 ? -48.204 -2.775 -15.838 1.00 64.29 ? 291 TRP A CD2 1 ATOM 1901 N NE1 . TRP A 1 264 ? -48.221 -4.151 -14.075 1.00 67.56 ? 291 TRP A NE1 1 ATOM 1902 C CE2 . TRP A 1 264 ? -49.036 -3.472 -14.939 1.00 65.00 ? 291 TRP A CE2 1 ATOM 1903 C CE3 . TRP A 1 264 ? -48.794 -1.991 -16.837 1.00 61.63 ? 291 TRP A CE3 1 ATOM 1904 C CZ2 . TRP A 1 264 ? -50.430 -3.403 -14.997 1.00 63.89 ? 291 TRP A CZ2 1 ATOM 1905 C CZ3 . TRP A 1 264 ? -50.183 -1.922 -16.899 1.00 60.76 ? 291 TRP A CZ3 1 ATOM 1906 C CH2 . TRP A 1 264 ? -50.985 -2.628 -15.980 1.00 61.63 ? 291 TRP A CH2 1 ATOM 1907 N N . GLU A 1 265 ? -45.331 -5.918 -16.791 1.00 83.45 ? 292 GLU A N 1 ATOM 1908 C CA . GLU A 1 265 ? -45.041 -7.245 -16.208 1.00 89.82 ? 292 GLU A CA 1 ATOM 1909 C C . GLU A 1 265 ? -44.390 -8.229 -17.205 1.00 94.25 ? 292 GLU A C 1 ATOM 1910 O O . GLU A 1 265 ? -43.852 -9.257 -16.783 1.00 97.07 ? 292 GLU A O 1 ATOM 1911 C CB . GLU A 1 265 ? -46.286 -7.856 -15.514 1.00 91.07 ? 292 GLU A CB 1 ATOM 1912 C CG . GLU A 1 265 ? -47.644 -7.639 -16.187 1.00 89.82 ? 292 GLU A CG 1 ATOM 1913 C CD . GLU A 1 265 ? -48.820 -8.196 -15.393 1.00 91.52 ? 292 GLU A CD 1 ATOM 1914 O OE1 . GLU A 1 265 ? -49.920 -8.335 -15.976 1.00 91.46 ? 292 GLU A OE1 1 ATOM 1915 O OE2 . GLU A 1 265 ? -48.664 -8.483 -14.189 1.00 93.72 ? 292 GLU A OE2 1 ATOM 1916 N N . THR A 1 266 ? -44.441 -7.910 -18.505 1.00 97.00 ? 293 THR A N 1 ATOM 1917 C CA . THR A 1 266 ? -43.671 -8.609 -19.550 1.00 101.20 ? 293 THR A CA 1 ATOM 1918 C C . THR A 1 266 ? -42.694 -7.639 -20.219 1.00 101.31 ? 293 THR A C 1 ATOM 1919 O O . THR A 1 266 ? -41.754 -7.148 -19.587 1.00 103.80 ? 293 THR A O 1 ATOM 1920 C CB . THR A 1 266 ? -44.584 -9.210 -20.646 1.00 101.64 ? 293 THR A CB 1 ATOM 1921 O OG1 . THR A 1 266 ? -45.465 -8.201 -21.161 1.00 98.63 ? 293 THR A OG1 1 ATOM 1922 C CG2 . THR A 1 266 ? -45.403 -10.373 -20.098 1.00 104.08 ? 293 THR A CG2 1 ATOM 1923 N N . SER A 1 276 ? -36.741 -13.209 -36.758 1.00 138.75 ? 302 SER A N 1 ATOM 1924 C CA . SER A 1 276 ? -35.914 -14.410 -36.867 1.00 143.18 ? 302 SER A CA 1 ATOM 1925 C C . SER A 1 276 ? -36.055 -15.034 -38.263 1.00 145.95 ? 302 SER A C 1 ATOM 1926 O O . SER A 1 276 ? -36.789 -14.511 -39.110 1.00 144.91 ? 302 SER A O 1 ATOM 1927 C CB . SER A 1 276 ? -36.303 -15.427 -35.780 1.00 144.03 ? 302 SER A CB 1 ATOM 1928 O OG . SER A 1 276 ? -36.459 -14.798 -34.518 1.00 141.85 ? 302 SER A OG 1 ATOM 1929 N N . GLU A 1 277 ? -35.354 -16.150 -38.489 1.00 149.49 ? 303 GLU A N 1 ATOM 1930 C CA . GLU A 1 277 ? -35.410 -16.893 -39.765 1.00 151.67 ? 303 GLU A CA 1 ATOM 1931 C C . GLU A 1 277 ? -36.475 -18.016 -39.799 1.00 153.36 ? 303 GLU A C 1 ATOM 1932 O O . GLU A 1 277 ? -36.348 -18.965 -40.581 1.00 155.12 ? 303 GLU A O 1 ATOM 1933 C CB . GLU A 1 277 ? -34.016 -17.454 -40.123 1.00 154.68 ? 303 GLU A CB 1 ATOM 1934 C CG . GLU A 1 277 ? -33.476 -18.567 -39.220 1.00 157.21 ? 303 GLU A CG 1 ATOM 1935 C CD . GLU A 1 277 ? -32.252 -19.264 -39.796 1.00 161.19 ? 303 GLU A CD 1 ATOM 1936 O OE1 . GLU A 1 277 ? -31.502 -18.634 -40.572 1.00 161.58 ? 303 GLU A OE1 1 ATOM 1937 O OE2 . GLU A 1 277 ? -32.035 -20.450 -39.468 1.00 163.91 ? 303 GLU A OE2 1 ATOM 1938 N N . GLU A 1 278 ? -37.520 -17.898 -38.973 1.00 152.15 ? 304 GLU A N 1 ATOM 1939 C CA . GLU A 1 278 ? -38.586 -18.909 -38.874 1.00 153.12 ? 304 GLU A CA 1 ATOM 1940 C C . GLU A 1 278 ? -39.854 -18.555 -39.673 1.00 150.24 ? 304 GLU A C 1 ATOM 1941 O O . GLU A 1 278 ? -40.745 -19.402 -39.816 1.00 151.81 ? 304 GLU A O 1 ATOM 1942 C CB . GLU A 1 278 ? -38.949 -19.143 -37.400 1.00 153.11 ? 304 GLU A CB 1 ATOM 1943 C CG . GLU A 1 278 ? -37.836 -19.792 -36.586 1.00 156.17 ? 304 GLU A CG 1 ATOM 1944 C CD . GLU A 1 278 ? -38.129 -19.818 -35.095 1.00 155.53 ? 304 GLU A CD 1 ATOM 1945 O OE1 . GLU A 1 278 ? -38.308 -18.731 -34.501 1.00 152.01 ? 304 GLU A OE1 1 ATOM 1946 O OE2 . GLU A 1 278 ? -38.168 -20.923 -34.513 1.00 157.96 ? 304 GLU A OE2 1 ATOM 1947 N N . LEU A 1 279 ? -39.927 -17.323 -40.193 1.00 145.67 ? 305 LEU A N 1 ATOM 1948 C CA . LEU A 1 279 ? -41.080 -16.855 -40.974 1.00 142.14 ? 305 LEU A CA 1 ATOM 1949 C C . LEU A 1 279 ? -40.861 -17.139 -42.461 1.00 142.31 ? 305 LEU A C 1 ATOM 1950 O O . LEU A 1 279 ? -39.842 -16.732 -43.020 1.00 143.19 ? 305 LEU A O 1 ATOM 1951 C CB . LEU A 1 279 ? -41.301 -15.345 -40.773 1.00 138.48 ? 305 LEU A CB 1 ATOM 1952 C CG . LEU A 1 279 ? -41.829 -14.814 -39.429 1.00 136.14 ? 305 LEU A CG 1 ATOM 1953 C CD1 . LEU A 1 279 ? -43.222 -15.355 -39.136 1.00 135.60 ? 305 LEU A CD1 1 ATOM 1954 C CD2 . LEU A 1 279 ? -40.881 -15.107 -38.273 1.00 137.12 ? 305 LEU A CD2 1 ATOM 1955 N N . SER A 1 280 ? -41.813 -17.836 -43.089 1.00 141.39 ? 306 SER A N 1 ATOM 1956 C CA . SER A 1 280 ? -41.777 -18.116 -44.531 1.00 142.27 ? 306 SER A CA 1 ATOM 1957 C C . SER A 1 280 ? -42.860 -17.310 -45.251 1.00 138.72 ? 306 SER A C 1 ATOM 1958 O O . SER A 1 280 ? -44.040 -17.399 -44.902 1.00 137.31 ? 306 SER A O 1 ATOM 1959 C CB . SER A 1 280 ? -41.975 -19.611 -44.797 1.00 145.87 ? 306 SER A CB 1 ATOM 1960 O OG . SER A 1 280 ? -43.262 -20.045 -44.395 1.00 145.75 ? 306 SER A OG 1 ATOM 1961 N N . PHE A 1 281 ? -42.447 -16.540 -46.258 1.00 136.98 ? 307 PHE A N 1 ATOM 1962 C CA . PHE A 1 281 ? -43.335 -15.641 -47.000 1.00 134.14 ? 307 PHE A CA 1 ATOM 1963 C C . PHE A 1 281 ? -43.701 -16.239 -48.360 1.00 135.93 ? 307 PHE A C 1 ATOM 1964 O O . PHE A 1 281 ? -42.843 -16.813 -49.034 1.00 139.20 ? 307 PHE A O 1 ATOM 1965 C CB . PHE A 1 281 ? -42.647 -14.290 -47.206 1.00 131.75 ? 307 PHE A CB 1 ATOM 1966 C CG . PHE A 1 281 ? -42.311 -13.567 -45.926 1.00 128.84 ? 307 PHE A CG 1 ATOM 1967 C CD1 . PHE A 1 281 ? -43.227 -12.697 -45.337 1.00 125.93 ? 307 PHE A CD1 1 ATOM 1968 C CD2 . PHE A 1 281 ? -41.066 -13.733 -45.322 1.00 129.42 ? 307 PHE A CD2 1 ATOM 1969 C CE1 . PHE A 1 281 ? -42.916 -12.021 -44.163 1.00 123.60 ? 307 PHE A CE1 1 ATOM 1970 C CE2 . PHE A 1 281 ? -40.749 -13.060 -44.150 1.00 127.40 ? 307 PHE A CE2 1 ATOM 1971 C CZ . PHE A 1 281 ? -41.675 -12.203 -43.568 1.00 124.54 ? 307 PHE A CZ 1 ATOM 1972 N N . THR A 1 282 ? -44.967 -16.092 -48.759 1.00 134.61 ? 308 THR A N 1 ATOM 1973 C CA . THR A 1 282 ? -45.470 -16.646 -50.026 1.00 137.13 ? 308 THR A CA 1 ATOM 1974 C C . THR A 1 282 ? -46.518 -15.724 -50.680 1.00 135.94 ? 308 THR A C 1 ATOM 1975 O O . THR A 1 282 ? -47.497 -15.338 -50.039 1.00 133.11 ? 308 THR A O 1 ATOM 1976 C CB . THR A 1 282 ? -46.036 -18.079 -49.834 1.00 139.34 ? 308 THR A CB 1 ATOM 1977 O OG1 . THR A 1 282 ? -46.438 -18.615 -51.099 1.00 141.98 ? 308 THR A OG1 1 ATOM 1978 C CG2 . THR A 1 282 ? -47.230 -18.110 -48.873 1.00 137.59 ? 308 THR A CG2 1 ATOM 1979 N N . VAL A 1 283 ? -46.299 -15.387 -51.955 1.00 138.40 ? 309 VAL A N 1 ATOM 1980 C CA . VAL A 1 283 ? -47.154 -14.444 -52.699 1.00 138.18 ? 309 VAL A CA 1 ATOM 1981 C C . VAL A 1 283 ? -48.292 -15.180 -53.418 1.00 141.13 ? 309 VAL A C 1 ATOM 1982 O O . VAL A 1 283 ? -48.050 -16.163 -54.123 1.00 145.01 ? 309 VAL A O 1 ATOM 1983 C CB . VAL A 1 283 ? -46.339 -13.633 -53.742 1.00 138.48 ? 309 VAL A CB 1 ATOM 1984 C CG1 . VAL A 1 283 ? -47.214 -12.576 -54.420 1.00 136.97 ? 309 VAL A CG1 1 ATOM 1985 C CG2 . VAL A 1 283 ? -45.121 -12.987 -53.089 1.00 136.87 ? 309 VAL A CG2 1 ATOM 1986 N N . VAL A 1 284 ? -49.521 -14.687 -53.246 1.00 140.18 ? 310 VAL A N 1 ATOM 1987 C CA . VAL A 1 284 ? -50.706 -15.261 -53.896 1.00 142.36 ? 310 VAL A CA 1 ATOM 1988 C C . VAL A 1 284 ? -50.790 -14.762 -55.341 1.00 144.15 ? 310 VAL A C 1 ATOM 1989 O O . VAL A 1 284 ? -51.174 -13.619 -55.595 1.00 142.53 ? 310 VAL A O 1 ATOM 1990 C CB . VAL A 1 284 ? -52.007 -14.910 -53.126 1.00 139.91 ? 310 VAL A CB 1 ATOM 1991 C CG1 . VAL A 1 284 ? -53.247 -15.411 -53.865 1.00 142.31 ? 310 VAL A CG1 1 ATOM 1992 C CG2 . VAL A 1 284 ? -51.965 -15.484 -51.714 1.00 138.40 ? 310 VAL A CG2 1 ATOM 1993 N N . UNK A 1 324 ? -51.622 -3.331 -60.481 1.00 123.73 ? 470 UNK A N 1 ATOM 1994 C CA . UNK A 1 324 ? -52.919 -3.621 -59.883 1.00 122.62 ? 470 UNK A CA 1 ATOM 1995 C C . UNK A 1 324 ? -52.841 -3.682 -58.370 1.00 118.98 ? 470 UNK A C 1 ATOM 1996 O O . UNK A 1 324 ? -52.990 -2.662 -57.697 1.00 117.74 ? 470 UNK A O 1 ATOM 1997 N N . UNK A 1 325 ? -52.611 -4.882 -57.841 1.00 118.64 ? 471 UNK A N 1 ATOM 1998 C CA . UNK A 1 325 ? -52.473 -5.109 -56.392 1.00 115.07 ? 471 UNK A CA 1 ATOM 1999 C C . UNK A 1 325 ? -51.782 -6.451 -56.131 1.00 115.43 ? 471 UNK A C 1 ATOM 2000 O O . UNK A 1 325 ? -51.517 -7.206 -57.068 1.00 119.42 ? 471 UNK A O 1 ATOM 2001 C CB . UNK A 1 325 ? -53.839 -5.075 -55.716 1.00 113.66 ? 471 UNK A CB 1 ATOM 2002 N N . UNK A 1 326 ? -51.486 -6.741 -54.866 1.00 112.10 ? 472 UNK A N 1 ATOM 2003 C CA . UNK A 1 326 ? -50.858 -8.013 -54.494 1.00 112.39 ? 472 UNK A CA 1 ATOM 2004 C C . UNK A 1 326 ? -51.107 -8.368 -53.024 1.00 109.87 ? 472 UNK A C 1 ATOM 2005 O O . UNK A 1 326 ? -50.613 -7.684 -52.122 1.00 105.90 ? 472 UNK A O 1 ATOM 2006 C CB . UNK A 1 326 ? -49.365 -7.965 -54.785 1.00 112.94 ? 472 UNK A CB 1 ATOM 2007 N N . UNK A 1 327 ? -51.891 -9.427 -52.803 1.00 110.53 ? 473 UNK A N 1 ATOM 2008 C CA . UNK A 1 327 ? -52.116 -10.002 -51.472 1.00 108.72 ? 473 UNK A CA 1 ATOM 2009 C C . UNK A 1 327 ? -51.189 -11.203 -51.275 1.00 110.00 ? 473 UNK A C 1 ATOM 2010 O O . UNK A 1 327 ? -50.721 -11.798 -52.250 1.00 112.74 ? 473 UNK A O 1 ATOM 2011 C CB . UNK A 1 327 ? -53.570 -10.420 -51.314 1.00 108.97 ? 473 UNK A CB 1 ATOM 2012 N N . UNK A 1 328 ? -50.926 -11.548 -50.014 1.00 108.21 ? 474 UNK A N 1 ATOM 2013 C CA . UNK A 1 328 ? -49.961 -12.603 -49.670 1.00 109.09 ? 474 UNK A CA 1 ATOM 2014 C C . UNK A 1 328 ? -50.068 -13.064 -48.211 1.00 107.60 ? 474 UNK A C 1 ATOM 2015 O O . UNK A 1 328 ? -50.676 -12.386 -47.378 1.00 104.12 ? 474 UNK A O 1 ATOM 2016 C CB . UNK A 1 328 ? -48.548 -12.118 -49.955 1.00 108.98 ? 474 UNK A CB 1 ATOM 2017 N N . UNK A 1 329 ? -49.455 -14.214 -47.920 1.00 109.43 ? 475 UNK A N 1 ATOM 2018 C CA . UNK A 1 329 ? -49.480 -14.830 -46.587 1.00 108.92 ? 475 UNK A CA 1 ATOM 2019 C C . UNK A 1 329 ? -48.065 -15.001 -46.019 1.00 109.18 ? 475 UNK A C 1 ATOM 2020 O O . UNK A 1 329 ? -47.126 -15.295 -46.756 1.00 110.82 ? 475 UNK A O 1 ATOM 2021 C CB . UNK A 1 329 ? -50.187 -16.176 -46.654 1.00 111.44 ? 475 UNK A CB 1 ATOM 2022 N N . UNK A 1 330 ? -47.929 -14.803 -44.707 1.00 107.99 ? 476 UNK A N 1 ATOM 2023 C CA . UNK A 1 330 ? -46.679 -15.043 -43.983 1.00 108.91 ? 476 UNK A CA 1 ATOM 2024 C C . UNK A 1 330 ? -46.921 -16.187 -43.003 1.00 110.98 ? 476 UNK A C 1 ATOM 2025 O O . UNK A 1 330 ? -47.648 -16.016 -42.025 1.00 109.87 ? 476 UNK A O 1 ATOM 2026 C CB . UNK A 1 330 ? -46.241 -13.787 -43.241 1.00 105.85 ? 476 UNK A CB 1 ATOM 2027 N N . UNK A 1 331 ? -46.322 -17.346 -43.281 1.00 115.29 ? 477 UNK A N 1 ATOM 2028 C CA . UNK A 1 331 ? -46.516 -18.565 -42.481 1.00 117.88 ? 477 UNK A CA 1 ATOM 2029 C C . UNK A 1 331 ? -45.362 -18.779 -41.491 1.00 118.85 ? 477 UNK A C 1 ATOM 2030 O O . UNK A 1 331 ? -44.421 -17.979 -41.446 1.00 117.72 ? 477 UNK A O 1 ATOM 2031 C CB . UNK A 1 331 ? -46.666 -19.770 -43.403 1.00 121.30 ? 477 UNK A CB 1 ATOM 2032 N N . UNK A 1 332 ? -45.454 -19.850 -40.696 1.00 121.39 ? 478 UNK A N 1 ATOM 2033 C CA . UNK A 1 332 ? -44.413 -20.235 -39.730 1.00 122.17 ? 478 UNK A CA 1 ATOM 2034 C C . UNK A 1 332 ? -44.068 -21.712 -39.878 1.00 125.86 ? 478 UNK A C 1 ATOM 2035 O O . UNK A 1 332 ? -43.347 -22.100 -40.797 1.00 127.92 ? 478 UNK A O 1 ATOM 2036 C CB . UNK A 1 332 ? -44.872 -19.941 -38.308 1.00 120.34 ? 478 UNK A CB 1 ATOM 2037 N N . GLU B 2 1 ? -64.415 9.423 2.134 1.00 83.73 ? 502 GLU B N 1 ATOM 2038 C CA . GLU B 2 1 ? -64.448 8.025 1.617 1.00 84.02 ? 502 GLU B CA 1 ATOM 2039 C C . GLU B 2 1 ? -63.045 7.420 1.546 1.00 81.57 ? 502 GLU B C 1 ATOM 2040 O O . GLU B 2 1 ? -62.062 8.133 1.343 1.00 79.99 ? 502 GLU B O 1 ATOM 2041 C CB . GLU B 2 1 ? -65.054 7.985 0.208 1.00 85.80 ? 502 GLU B CB 1 ATOM 2042 C CG . GLU B 2 1 ? -66.466 8.538 0.073 1.00 87.92 ? 502 GLU B CG 1 ATOM 2043 C CD . GLU B 2 1 ? -67.016 8.401 -1.346 1.00 88.64 ? 502 GLU B CD 1 ATOM 2044 O OE1 . GLU B 2 1 ? -66.287 8.715 -2.313 1.00 86.24 ? 502 GLU B OE1 1 ATOM 2045 O OE2 . GLU B 2 1 ? -68.185 7.981 -1.499 1.00 91.34 ? 502 GLU B OE2 1 ATOM 2046 N N . ALA B 2 2 ? -62.968 6.099 1.697 1.00 79.71 ? 503 ALA B N 1 ATOM 2047 C CA . ALA B 2 2 ? -61.746 5.345 1.396 1.00 77.85 ? 503 ALA B CA 1 ATOM 2048 C C . ALA B 2 2 ? -61.643 5.113 -0.115 1.00 74.38 ? 503 ALA B C 1 ATOM 2049 O O . ALA B 2 2 ? -62.666 5.105 -0.810 1.00 74.16 ? 503 ALA B O 1 ATOM 2050 C CB . ALA B 2 2 ? -61.755 4.020 2.129 1.00 79.54 ? 503 ALA B CB 1 ATOM 2051 N N . ILE B 2 3 ? -60.416 4.938 -0.618 1.00 70.74 ? 504 ILE B N 1 ATOM 2052 C CA . ILE B 2 3 ? -60.184 4.632 -2.045 1.00 66.70 ? 504 ILE B CA 1 ATOM 2053 C C . ILE B 2 3 ? -60.047 3.120 -2.234 1.00 65.12 ? 504 ILE B C 1 ATOM 2054 O O . ILE B 2 3 ? -59.117 2.511 -1.706 1.00 65.32 ? 504 ILE B O 1 ATOM 2055 C CB . ILE B 2 3 ? -58.899 5.294 -2.610 1.00 65.11 ? 504 ILE B CB 1 ATOM 2056 C CG1 . ILE B 2 3 ? -58.847 6.793 -2.295 1.00 64.48 ? 504 ILE B CG1 1 ATOM 2057 C CG2 . ILE B 2 3 ? -58.787 5.054 -4.112 1.00 63.78 ? 504 ILE B CG2 1 ATOM 2058 C CD1 . ILE B 2 3 ? -59.983 7.610 -2.855 1.00 63.57 ? 504 ILE B CD1 1 ATOM 2059 N N . VAL B 2 4 ? -60.966 2.531 -2.997 1.00 62.64 ? 505 VAL B N 1 ATOM 2060 C CA . VAL B 2 4 ? -60.940 1.102 -3.309 1.00 62.19 ? 505 VAL B CA 1 ATOM 2061 C C . VAL B 2 4 ? -60.636 0.921 -4.800 1.00 59.21 ? 505 VAL B C 1 ATOM 2062 O O . VAL B 2 4 ? -61.503 1.208 -5.630 1.00 58.01 ? 505 VAL B O 1 ATOM 2063 C CB . VAL B 2 4 ? -62.304 0.456 -2.969 1.00 63.40 ? 505 VAL B CB 1 ATOM 2064 C CG1 . VAL B 2 4 ? -62.302 -1.033 -3.301 1.00 64.40 ? 505 VAL B CG1 1 ATOM 2065 C CG2 . VAL B 2 4 ? -62.650 0.691 -1.504 1.00 65.15 ? 505 VAL B CG2 1 ATOM 2066 N N . ASN B 2 5 ? -59.428 0.458 -5.148 1.00 57.90 ? 506 ASN B N 1 ATOM 2067 C CA . ASN B 2 5 ? -59.082 0.230 -6.571 1.00 56.84 ? 506 ASN B CA 1 ATOM 2068 C C . ASN B 2 5 ? -59.943 -0.904 -7.132 1.00 57.13 ? 506 ASN B C 1 ATOM 2069 O O . ASN B 2 5 ? -59.846 -2.041 -6.676 1.00 58.90 ? 506 ASN B O 1 ATOM 2070 C CB . ASN B 2 5 ? -57.584 -0.051 -6.799 1.00 56.19 ? 506 ASN B CB 1 ATOM 2071 C CG . ASN B 2 5 ? -57.203 -0.066 -8.290 1.00 55.40 ? 506 ASN B CG 1 ATOM 2072 O OD1 . ASN B 2 5 ? -57.725 -0.865 -9.070 1.00 55.79 ? 506 ASN B OD1 1 ATOM 2073 N ND2 . ASN B 2 5 ? -56.282 0.808 -8.685 1.00 53.87 ? 506 ASN B ND2 1 ATOM 2074 N N . ALA B 2 6 ? -60.786 -0.558 -8.107 1.00 56.23 ? 507 ALA B N 1 ATOM 2075 C CA . ALA B 2 6 ? -61.706 -1.480 -8.763 1.00 56.66 ? 507 ALA B CA 1 ATOM 2076 C C . ALA B 2 6 ? -61.393 -1.578 -10.258 1.00 55.77 ? 507 ALA B C 1 ATOM 2077 O O . ALA B 2 6 ? -62.304 -1.734 -11.075 1.00 56.49 ? 507 ALA B O 1 ATOM 2078 C CB . ALA B 2 6 ? -63.137 -0.997 -8.560 1.00 56.70 ? 507 ALA B CB 1 ATOM 2079 N N . GLN B 2 7 ? -60.111 -1.487 -10.612 1.00 54.59 ? 508 GLN B N 1 ATOM 2080 C CA . GLN B 2 7 ? -59.677 -1.571 -12.002 1.00 53.28 ? 508 GLN B CA 1 ATOM 2081 C C . GLN B 2 7 ? -59.283 -3.011 -12.346 1.00 53.79 ? 508 GLN B C 1 ATOM 2082 O O . GLN B 2 7 ? -58.948 -3.782 -11.447 1.00 54.43 ? 508 GLN B O 1 ATOM 2083 C CB . GLN B 2 7 ? -58.496 -0.628 -12.245 1.00 52.59 ? 508 GLN B CB 1 ATOM 2084 C CG . GLN B 2 7 ? -58.788 0.837 -11.943 1.00 51.67 ? 508 GLN B CG 1 ATOM 2085 C CD . GLN B 2 7 ? -59.985 1.366 -12.711 1.00 51.49 ? 508 GLN B CD 1 ATOM 2086 O OE1 . GLN B 2 7 ? -60.135 1.105 -13.906 1.00 51.85 ? 508 GLN B OE1 1 ATOM 2087 N NE2 . GLN B 2 7 ? -60.855 2.097 -12.026 1.00 51.55 ? 508 GLN B NE2 1 ATOM 2088 N N . PRO B 2 8 ? -59.323 -3.385 -13.646 1.00 53.39 ? 509 PRO B N 1 ATOM 2089 C CA . PRO B 2 8 ? -58.893 -4.738 -14.043 1.00 54.15 ? 509 PRO B CA 1 ATOM 2090 C C . PRO B 2 8 ? -57.450 -5.050 -13.651 1.00 54.44 ? 509 PRO B C 1 ATOM 2091 O O . PRO B 2 8 ? -57.180 -6.147 -13.180 1.00 55.96 ? 509 PRO B O 1 ATOM 2092 C CB . PRO B 2 8 ? -59.049 -4.736 -15.571 1.00 53.87 ? 509 PRO B CB 1 ATOM 2093 C CG . PRO B 2 8 ? -60.020 -3.650 -15.865 1.00 53.11 ? 509 PRO B CG 1 ATOM 2094 C CD . PRO B 2 8 ? -59.828 -2.612 -14.798 1.00 52.54 ? 509 PRO B CD 1 ATOM 2095 N N . LYS B 2 9 ? -56.548 -4.087 -13.852 1.00 53.92 ? 510 LYS B N 1 ATOM 2096 C CA . LYS B 2 9 ? -55.158 -4.176 -13.391 1.00 54.98 ? 510 LYS B CA 1 ATOM 2097 C C . LYS B 2 9 ? -54.698 -2.879 -12.717 1.00 53.39 ? 510 LYS B C 1 ATOM 2098 O O . LYS B 2 9 ? -55.389 -1.863 -12.777 1.00 52.37 ? 510 LYS B O 1 ATOM 2099 C CB . LYS B 2 9 ? -54.232 -4.496 -14.563 1.00 56.45 ? 510 LYS B CB 1 ATOM 2100 C CG . LYS B 2 9 ? -54.557 -5.815 -15.244 1.00 59.36 ? 510 LYS B CG 1 ATOM 2101 C CD . LYS B 2 9 ? -53.308 -6.544 -15.717 1.00 61.85 ? 510 LYS B CD 1 ATOM 2102 C CE . LYS B 2 9 ? -53.645 -7.944 -16.213 1.00 64.12 ? 510 LYS B CE 1 ATOM 2103 N NZ . LYS B 2 9 ? -54.294 -7.897 -17.556 1.00 64.63 ? 510 LYS B NZ 1 ATOM 2104 N N . CYS B 2 10 ? -53.540 -2.945 -12.063 1.00 52.92 ? 511 CYS B N 1 ATOM 2105 C CA . CYS B 2 10 ? -52.852 -1.780 -11.498 1.00 52.42 ? 511 CYS B CA 1 ATOM 2106 C C . CYS B 2 10 ? -51.371 -1.920 -11.800 1.00 51.14 ? 511 CYS B C 1 ATOM 2107 O O . CYS B 2 10 ? -50.754 -2.896 -11.396 1.00 51.67 ? 511 CYS B O 1 ATOM 2108 C CB . CYS B 2 10 ? -53.050 -1.675 -9.959 1.00 54.22 ? 511 CYS B CB 1 ATOM 2109 S SG . CYS B 2 10 ? -52.195 -0.253 -9.188 1.00 54.66 ? 511 CYS B SG 1 ATOM 2110 N N . ASN B 2 11 ? -50.800 -0.958 -12.518 1.00 49.47 ? 512 ASN B N 1 ATOM 2111 C CA . ASN B 2 11 ? -49.347 -0.836 -12.589 1.00 49.26 ? 512 ASN B CA 1 ATOM 2112 C C . ASN B 2 11 ? -48.907 -0.213 -11.260 1.00 49.77 ? 512 ASN B C 1 ATOM 2113 O O . ASN B 2 11 ? -49.185 0.961 -11.014 1.00 48.55 ? 512 ASN B O 1 ATOM 2114 C CB . ASN B 2 11 ? -48.927 0.035 -13.774 1.00 47.77 ? 512 ASN B CB 1 ATOM 2115 C CG . ASN B 2 11 ? -47.421 0.148 -13.922 1.00 47.97 ? 512 ASN B CG 1 ATOM 2116 O OD1 . ASN B 2 11 ? -46.651 -0.395 -13.129 1.00 48.91 ? 512 ASN B OD1 1 ATOM 2117 N ND2 . ASN B 2 11 ? -46.993 0.858 -14.950 1.00 47.43 ? 512 ASN B ND2 1 ATOM 2118 N N . PRO B 2 12 ? -48.224 -0.996 -10.398 1.00 51.72 ? 513 PRO B N 1 ATOM 2119 C CA . PRO B 2 12 ? -47.912 -0.486 -9.057 1.00 52.55 ? 513 PRO B CA 1 ATOM 2120 C C . PRO B 2 12 ? -46.773 0.550 -9.004 1.00 52.60 ? 513 PRO B C 1 ATOM 2121 O O . PRO B 2 12 ? -46.545 1.130 -7.947 1.00 53.19 ? 513 PRO B O 1 ATOM 2122 C CB . PRO B 2 12 ? -47.518 -1.756 -8.301 1.00 54.00 ? 513 PRO B CB 1 ATOM 2123 C CG . PRO B 2 12 ? -46.871 -2.603 -9.344 1.00 54.10 ? 513 PRO B CG 1 ATOM 2124 C CD . PRO B 2 12 ? -47.616 -2.326 -10.623 1.00 52.64 ? 513 PRO B CD 1 ATOM 2125 N N . ASN B 2 13 ? -46.064 0.769 -10.112 1.00 52.21 ? 514 ASN B N 1 ATOM 2126 C CA . ASN B 2 13 ? -44.990 1.756 -10.170 1.00 52.56 ? 514 ASN B CA 1 ATOM 2127 C C . ASN B 2 13 ? -45.372 2.894 -11.098 1.00 51.58 ? 514 ASN B C 1 ATOM 2128 O O . ASN B 2 13 ? -46.026 2.679 -12.113 1.00 50.95 ? 514 ASN B O 1 ATOM 2129 C CB . ASN B 2 13 ? -43.702 1.095 -10.628 1.00 53.51 ? 514 ASN B CB 1 ATOM 2130 C CG . ASN B 2 13 ? -43.304 -0.048 -9.726 1.00 55.34 ? 514 ASN B CG 1 ATOM 2131 O OD1 . ASN B 2 13 ? -42.973 0.159 -8.556 1.00 55.61 ? 514 ASN B OD1 1 ATOM 2132 N ND2 . ASN B 2 13 ? -43.366 -1.266 -10.248 1.00 56.01 ? 514 ASN B ND2 1 ATOM 2133 N N . LEU B 2 14 ? -44.973 4.106 -10.720 1.00 51.95 ? 515 LEU B N 1 ATOM 2134 C CA . LEU B 2 14 ? -45.302 5.311 -11.455 1.00 51.08 ? 515 LEU B CA 1 ATOM 2135 C C . LEU B 2 14 ? -44.008 5.974 -11.904 1.00 51.23 ? 515 LEU B C 1 ATOM 2136 O O . LEU B 2 14 ? -43.325 6.633 -11.110 1.00 51.12 ? 515 LEU B O 1 ATOM 2137 C CB . LEU B 2 14 ? -46.134 6.262 -10.586 1.00 51.20 ? 515 LEU B CB 1 ATOM 2138 C CG . LEU B 2 14 ? -46.540 7.606 -11.206 1.00 50.60 ? 515 LEU B CG 1 ATOM 2139 C CD1 . LEU B 2 14 ? -47.191 7.425 -12.560 1.00 49.89 ? 515 LEU B CD1 1 ATOM 2140 C CD2 . LEU B 2 14 ? -47.479 8.357 -10.280 1.00 51.28 ? 515 LEU B CD2 1 ATOM 2141 N N . HIS B 2 15 ? -43.673 5.762 -13.178 1.00 50.49 ? 516 HIS B N 1 ATOM 2142 C CA . HIS B 2 15 ? -42.564 6.445 -13.828 1.00 50.29 ? 516 HIS B CA 1 ATOM 2143 C C . HIS B 2 15 ? -43.132 7.767 -14.317 1.00 48.56 ? 516 HIS B C 1 ATOM 2144 O O . HIS B 2 15 ? -43.887 7.799 -15.295 1.00 47.10 ? 516 HIS B O 1 ATOM 2145 C CB . HIS B 2 15 ? -42.012 5.591 -14.977 1.00 50.98 ? 516 HIS B CB 1 ATOM 2146 C CG . HIS B 2 15 ? -40.708 6.079 -15.531 1.00 52.33 ? 516 HIS B CG 1 ATOM 2147 N ND1 . HIS B 2 15 ? -40.231 5.685 -16.764 1.00 53.12 ? 516 HIS B ND1 1 ATOM 2148 C CD2 . HIS B 2 15 ? -39.783 6.930 -15.027 1.00 53.14 ? 516 HIS B CD2 1 ATOM 2149 C CE1 . HIS B 2 15 ? -39.062 6.260 -16.986 1.00 53.68 ? 516 HIS B CE1 1 ATOM 2150 N NE2 . HIS B 2 15 ? -38.770 7.024 -15.950 1.00 53.86 ? 516 HIS B NE2 1 ATOM 2151 N N . TYR B 2 16 ? -42.803 8.849 -13.609 1.00 48.28 ? 517 TYR B N 1 ATOM 2152 C CA . TYR B 2 16 ? -43.444 10.144 -13.842 1.00 47.31 ? 517 TYR B CA 1 ATOM 2153 C C . TYR B 2 16 ? -42.522 11.123 -14.541 1.00 46.69 ? 517 TYR B C 1 ATOM 2154 O O . TYR B 2 16 ? -41.305 10.957 -14.547 1.00 47.68 ? 517 TYR B O 1 ATOM 2155 C CB . TYR B 2 16 ? -43.969 10.771 -12.535 1.00 48.27 ? 517 TYR B CB 1 ATOM 2156 C CG . TYR B 2 16 ? -42.889 11.192 -11.554 1.00 50.12 ? 517 TYR B CG 1 ATOM 2157 C CD1 . TYR B 2 16 ? -42.274 12.439 -11.650 1.00 50.51 ? 517 TYR B CD1 1 ATOM 2158 C CD2 . TYR B 2 16 ? -42.485 10.341 -10.532 1.00 51.99 ? 517 TYR B CD2 1 ATOM 2159 C CE1 . TYR B 2 16 ? -41.272 12.813 -10.768 1.00 52.29 ? 517 TYR B CE1 1 ATOM 2160 C CE2 . TYR B 2 16 ? -41.495 10.710 -9.635 1.00 53.59 ? 517 TYR B CE2 1 ATOM 2161 C CZ . TYR B 2 16 ? -40.889 11.942 -9.757 1.00 53.87 ? 517 TYR B CZ 1 ATOM 2162 O OH . TYR B 2 16 ? -39.904 12.300 -8.862 1.00 55.52 ? 517 TYR B OH 1 ATOM 2163 N N . TRP B 2 17 ? -43.137 12.144 -15.126 1.00 45.11 ? 518 TRP B N 1 ATOM 2164 C CA . TRP B 2 17 ? -42.444 13.311 -15.626 1.00 45.12 ? 518 TRP B CA 1 ATOM 2165 C C . TRP B 2 17 ? -43.135 14.541 -15.064 1.00 45.36 ? 518 TRP B C 1 ATOM 2166 O O . TRP B 2 17 ? -44.352 14.550 -14.858 1.00 43.82 ? 518 TRP B O 1 ATOM 2167 C CB . TRP B 2 17 ? -42.429 13.358 -17.165 1.00 44.56 ? 518 TRP B CB 1 ATOM 2168 C CG . TRP B 2 17 ? -43.777 13.239 -17.777 1.00 43.17 ? 518 TRP B CG 1 ATOM 2169 C CD1 . TRP B 2 17 ? -44.370 12.103 -18.211 1.00 42.81 ? 518 TRP B CD1 1 ATOM 2170 C CD2 . TRP B 2 17 ? -44.720 14.291 -17.977 1.00 42.51 ? 518 TRP B CD2 1 ATOM 2171 N NE1 . TRP B 2 17 ? -45.627 12.376 -18.685 1.00 42.14 ? 518 TRP B NE1 1 ATOM 2172 C CE2 . TRP B 2 17 ? -45.869 13.715 -18.549 1.00 41.94 ? 518 TRP B CE2 1 ATOM 2173 C CE3 . TRP B 2 17 ? -44.704 15.669 -17.732 1.00 42.59 ? 518 TRP B CE3 1 ATOM 2174 C CZ2 . TRP B 2 17 ? -46.997 14.469 -18.886 1.00 41.85 ? 518 TRP B CZ2 1 ATOM 2175 C CZ3 . TRP B 2 17 ? -45.823 16.417 -18.053 1.00 42.03 ? 518 TRP B CZ3 1 ATOM 2176 C CH2 . TRP B 2 17 ? -46.957 15.817 -18.626 1.00 41.69 ? 518 TRP B CH2 1 ATOM 2177 N N . THR B 2 18 ? -42.351 15.577 -14.819 1.00 47.52 ? 519 THR B N 1 ATOM 2178 C CA . THR B 2 18 ? -42.890 16.881 -14.477 1.00 49.42 ? 519 THR B CA 1 ATOM 2179 C C . THR B 2 18 ? -41.874 17.963 -14.841 1.00 52.56 ? 519 THR B C 1 ATOM 2180 O O . THR B 2 18 ? -40.801 17.656 -15.354 1.00 52.63 ? 519 THR B O 1 ATOM 2181 C CB . THR B 2 18 ? -43.299 16.949 -12.984 1.00 49.57 ? 519 THR B CB 1 ATOM 2182 O OG1 . THR B 2 18 ? -44.035 18.153 -12.742 1.00 49.39 ? 519 THR B OG1 1 ATOM 2183 C CG2 . THR B 2 18 ? -42.092 16.887 -12.062 1.00 50.43 ? 519 THR B CG2 1 ATOM 2184 N N . THR B 2 19 ? -42.235 19.220 -14.608 1.00 57.01 ? 520 THR B N 1 ATOM 2185 C CA . THR B 2 19 ? -41.332 20.343 -14.832 1.00 62.52 ? 520 THR B CA 1 ATOM 2186 C C . THR B 2 19 ? -40.683 20.726 -13.522 1.00 70.29 ? 520 THR B C 1 ATOM 2187 O O . THR B 2 19 ? -41.274 20.544 -12.454 1.00 71.37 ? 520 THR B O 1 ATOM 2188 C CB . THR B 2 19 ? -42.078 21.581 -15.350 1.00 61.44 ? 520 THR B CB 1 ATOM 2189 O OG1 . THR B 2 19 ? -43.064 21.981 -14.393 1.00 60.52 ? 520 THR B OG1 1 ATOM 2190 C CG2 . THR B 2 19 ? -42.751 21.293 -16.681 1.00 60.49 ? 520 THR B CG2 1 ATOM 2191 N N . GLN B 2 20 ? -39.470 21.262 -13.605 1.00 79.85 ? 521 GLN B N 1 ATOM 2192 C CA . GLN B 2 20 ? -38.852 21.912 -12.457 1.00 88.29 ? 521 GLN B CA 1 ATOM 2193 C C . GLN B 2 20 ? -39.285 23.385 -12.474 1.00 92.86 ? 521 GLN B C 1 ATOM 2194 O O . GLN B 2 20 ? -38.707 24.210 -13.190 1.00 94.32 ? 521 GLN B O 1 ATOM 2195 C CB . GLN B 2 20 ? -37.332 21.743 -12.494 1.00 91.35 ? 521 GLN B CB 1 ATOM 2196 C CG . GLN B 2 20 ? -36.680 21.885 -11.126 1.00 94.35 ? 521 GLN B CG 1 ATOM 2197 C CD . GLN B 2 20 ? -35.267 21.331 -11.066 1.00 97.47 ? 521 GLN B CD 1 ATOM 2198 O OE1 . GLN B 2 20 ? -34.769 20.725 -12.020 1.00 97.77 ? 521 GLN B OE1 1 ATOM 2199 N NE2 . GLN B 2 20 ? -34.611 21.535 -9.930 1.00 100.06 ? 521 GLN B NE2 1 ATOM 2200 N N . ASP B 2 21 ? -40.334 23.687 -11.707 1.00 97.22 ? 522 ASP B N 1 ATOM 2201 C CA . ASP B 2 21 ? -40.920 25.039 -11.630 1.00 101.14 ? 522 ASP B CA 1 ATOM 2202 C C . ASP B 2 21 ? -39.935 26.094 -11.087 1.00 104.68 ? 522 ASP B C 1 ATOM 2203 O O . ASP B 2 21 ? -40.034 27.278 -11.431 1.00 103.82 ? 522 ASP B O 1 ATOM 2204 C CB . ASP B 2 21 ? -42.198 25.010 -10.771 1.00 102.37 ? 522 ASP B CB 1 ATOM 2205 C CG . ASP B 2 21 ? -43.040 26.273 -10.912 1.00 102.81 ? 522 ASP B CG 1 ATOM 2206 O OD1 . ASP B 2 21 ? -43.460 26.592 -12.046 1.00 103.34 ? 522 ASP B OD1 1 ATOM 2207 O OD2 . ASP B 2 21 ? -43.296 26.936 -9.883 1.00 103.47 ? 522 ASP B OD2 1 ATOM 2208 N N . GLU B 2 22 ? -39.003 25.654 -10.236 1.00 108.61 ? 523 GLU B N 1 ATOM 2209 C CA . GLU B 2 22 ? -37.902 26.487 -9.753 1.00 110.46 ? 523 GLU B CA 1 ATOM 2210 C C . GLU B 2 22 ? -36.597 25.691 -9.812 1.00 111.96 ? 523 GLU B C 1 ATOM 2211 O O . GLU B 2 22 ? -36.157 25.112 -8.814 1.00 114.49 ? 523 GLU B O 1 ATOM 2212 C CB . GLU B 2 22 ? -38.192 26.978 -8.322 1.00 110.95 ? 523 GLU B CB 1 ATOM 2213 C CG . GLU B 2 22 ? -37.144 27.918 -7.728 1.00 112.10 ? 523 GLU B CG 1 ATOM 2214 C CD . GLU B 2 22 ? -36.913 29.166 -8.563 1.00 111.72 ? 523 GLU B CD 1 ATOM 2215 O OE1 . GLU B 2 22 ? -37.888 29.692 -9.144 1.00 109.85 ? 523 GLU B OE1 1 ATOM 2216 O OE2 . GLU B 2 22 ? -35.753 29.623 -8.633 1.00 112.80 ? 523 GLU B OE2 1 ATOM 2217 N N . GLY B 2 23 ? -35.993 25.655 -10.998 1.00 110.68 ? 524 GLY B N 1 ATOM 2218 C CA . GLY B 2 23 ? -34.692 25.017 -11.185 1.00 111.24 ? 524 GLY B CA 1 ATOM 2219 C C . GLY B 2 23 ? -33.558 25.869 -10.635 1.00 112.58 ? 524 GLY B C 1 ATOM 2220 O O . GLY B 2 23 ? -33.589 27.097 -10.748 1.00 112.20 ? 524 GLY B O 1 ATOM 2221 N N . ALA B 2 24 ? -32.564 25.220 -10.024 1.00 113.37 ? 525 ALA B N 1 ATOM 2222 C CA . ALA B 2 24 ? -31.314 25.887 -9.643 1.00 114.08 ? 525 ALA B CA 1 ATOM 2223 C C . ALA B 2 24 ? -30.459 26.037 -10.906 1.00 113.01 ? 525 ALA B C 1 ATOM 2224 O O . ALA B 2 24 ? -29.604 25.192 -11.191 1.00 114.58 ? 525 ALA B O 1 ATOM 2225 C CB . ALA B 2 24 ? -30.577 25.094 -8.568 1.00 114.94 ? 525 ALA B CB 1 ATOM 2226 N N . ALA B 2 25 ? -30.706 27.114 -11.659 1.00 109.46 ? 526 ALA B N 1 ATOM 2227 C CA . ALA B 2 25 ? -30.159 27.277 -13.022 1.00 106.60 ? 526 ALA B CA 1 ATOM 2228 C C . ALA B 2 25 ? -28.629 27.258 -13.070 1.00 105.60 ? 526 ALA B C 1 ATOM 2229 O O . ALA B 2 25 ? -27.960 27.631 -12.100 1.00 107.47 ? 526 ALA B O 1 ATOM 2230 C CB . ALA B 2 25 ? -30.689 28.551 -13.674 1.00 105.30 ? 526 ALA B CB 1 ATOM 2231 N N . ILE B 2 26 ? -28.101 26.839 -14.219 1.00 101.43 ? 527 ILE B N 1 ATOM 2232 C CA . ILE B 2 26 ? -26.669 26.596 -14.404 1.00 100.20 ? 527 ILE B CA 1 ATOM 2233 C C . ILE B 2 26 ? -26.136 27.653 -15.378 1.00 96.58 ? 527 ILE B C 1 ATOM 2234 O O . ILE B 2 26 ? -26.188 27.475 -16.599 1.00 96.26 ? 527 ILE B O 1 ATOM 2235 C CB . ILE B 2 26 ? -26.372 25.153 -14.922 1.00 100.90 ? 527 ILE B CB 1 ATOM 2236 C CG1 . ILE B 2 26 ? -27.338 24.110 -14.315 1.00 99.73 ? 527 ILE B CG1 1 ATOM 2237 C CG2 . ILE B 2 26 ? -24.924 24.767 -14.626 1.00 102.70 ? 527 ILE B CG2 1 ATOM 2238 C CD1 . ILE B 2 26 ? -28.642 23.911 -15.074 1.00 97.04 ? 527 ILE B CD1 1 ATOM 2239 N N . GLY B 2 27 ? -25.649 28.763 -14.829 1.00 93.11 ? 528 GLY B N 1 ATOM 2240 C CA . GLY B 2 27 ? -25.152 29.876 -15.638 1.00 90.19 ? 528 GLY B CA 1 ATOM 2241 C C . GLY B 2 27 ? -26.278 30.615 -16.348 1.00 84.90 ? 528 GLY B C 1 ATOM 2242 O O . GLY B 2 27 ? -27.153 31.190 -15.693 1.00 82.65 ? 528 GLY B O 1 ATOM 2243 N N . LEU B 2 28 ? -26.261 30.580 -17.684 1.00 80.31 ? 529 LEU B N 1 ATOM 2244 C CA . LEU B 2 28 ? -27.230 31.305 -18.521 1.00 76.20 ? 529 LEU B CA 1 ATOM 2245 C C . LEU B 2 28 ? -28.431 30.465 -19.001 1.00 70.75 ? 529 LEU B C 1 ATOM 2246 O O . LEU B 2 28 ? -29.260 30.971 -19.753 1.00 69.62 ? 529 LEU B O 1 ATOM 2247 C CB . LEU B 2 28 ? -26.515 31.901 -19.745 1.00 77.39 ? 529 LEU B CB 1 ATOM 2248 C CG . LEU B 2 28 ? -25.333 32.844 -19.496 1.00 80.13 ? 529 LEU B CG 1 ATOM 2249 C CD1 . LEU B 2 28 ? -24.688 33.238 -20.818 1.00 81.07 ? 529 LEU B CD1 1 ATOM 2250 C CD2 . LEU B 2 28 ? -25.761 34.081 -18.720 1.00 80.39 ? 529 LEU B CD2 1 ATOM 2251 N N . ALA B 2 29 ? -28.543 29.212 -18.549 1.00 66.86 ? 530 ALA B N 1 ATOM 2252 C CA . ALA B 2 29 ? -29.589 28.285 -19.015 1.00 62.25 ? 530 ALA B CA 1 ATOM 2253 C C . ALA B 2 29 ? -31.034 28.710 -18.719 1.00 58.30 ? 530 ALA B C 1 ATOM 2254 O O . ALA B 2 29 ? -31.963 28.204 -19.344 1.00 56.37 ? 530 ALA B O 1 ATOM 2255 C CB . ALA B 2 29 ? -29.342 26.898 -18.439 1.00 62.47 ? 530 ALA B CB 1 ATOM 2256 N N . TRP B 2 30 ? -31.217 29.590 -17.738 1.00 56.35 ? 531 TRP B N 1 ATOM 2257 C CA . TRP B 2 30 ? -32.534 30.181 -17.426 1.00 53.50 ? 531 TRP B CA 1 ATOM 2258 C C . TRP B 2 30 ? -33.060 31.172 -18.479 1.00 52.05 ? 531 TRP B C 1 ATOM 2259 O O . TRP B 2 30 ? -34.260 31.395 -18.558 1.00 49.95 ? 531 TRP B O 1 ATOM 2260 C CB . TRP B 2 30 ? -32.504 30.880 -16.054 1.00 53.48 ? 531 TRP B CB 1 ATOM 2261 C CG . TRP B 2 30 ? -31.529 32.017 -15.968 1.00 54.45 ? 531 TRP B CG 1 ATOM 2262 C CD1 . TRP B 2 30 ? -30.236 31.948 -15.574 1.00 56.23 ? 531 TRP B CD1 1 ATOM 2263 C CD2 . TRP B 2 30 ? -31.781 33.387 -16.283 1.00 54.21 ? 531 TRP B CD2 1 ATOM 2264 N NE1 . TRP B 2 30 ? -29.654 33.189 -15.621 1.00 57.50 ? 531 TRP B NE1 1 ATOM 2265 C CE2 . TRP B 2 30 ? -30.585 34.093 -16.055 1.00 56.27 ? 531 TRP B CE2 1 ATOM 2266 C CE3 . TRP B 2 30 ? -32.904 34.091 -16.730 1.00 52.80 ? 531 TRP B CE3 1 ATOM 2267 C CZ2 . TRP B 2 30 ? -30.477 35.471 -16.265 1.00 56.90 ? 531 TRP B CZ2 1 ATOM 2268 C CZ3 . TRP B 2 30 ? -32.797 35.458 -16.935 1.00 53.29 ? 531 TRP B CZ3 1 ATOM 2269 C CH2 . TRP B 2 30 ? -31.595 36.131 -16.706 1.00 55.44 ? 531 TRP B CH2 1 ATOM 2270 N N . ILE B 2 31 ? -32.156 31.783 -19.245 1.00 53.06 ? 532 ILE B N 1 ATOM 2271 C CA . ILE B 2 31 ? -32.519 32.727 -20.316 1.00 52.84 ? 532 ILE B CA 1 ATOM 2272 C C . ILE B 2 31 ? -33.169 31.940 -21.453 1.00 51.42 ? 532 ILE B C 1 ATOM 2273 O O . ILE B 2 31 ? -32.530 31.035 -21.984 1.00 52.09 ? 532 ILE B O 1 ATOM 2274 C CB . ILE B 2 31 ? -31.276 33.463 -20.864 1.00 54.70 ? 532 ILE B CB 1 ATOM 2275 C CG1 . ILE B 2 31 ? -30.675 34.357 -19.774 1.00 56.01 ? 532 ILE B CG1 1 ATOM 2276 C CG2 . ILE B 2 31 ? -31.617 34.285 -22.108 1.00 54.56 ? 532 ILE B CG2 1 ATOM 2277 C CD1 . ILE B 2 31 ? -29.274 34.841 -20.071 1.00 58.23 ? 532 ILE B CD1 1 ATOM 2278 N N . PRO B 2 32 ? -34.427 32.270 -21.826 1.00 50.01 ? 533 PRO B N 1 ATOM 2279 C CA . PRO B 2 32 ? -35.149 31.534 -22.883 1.00 49.01 ? 533 PRO B CA 1 ATOM 2280 C C . PRO B 2 32 ? -34.346 31.321 -24.174 1.00 50.07 ? 533 PRO B C 1 ATOM 2281 O O . PRO B 2 32 ? -34.343 30.220 -24.726 1.00 49.57 ? 533 PRO B O 1 ATOM 2282 C CB . PRO B 2 32 ? -36.361 32.420 -23.161 1.00 48.21 ? 533 PRO B CB 1 ATOM 2283 C CG . PRO B 2 32 ? -36.593 33.161 -21.895 1.00 48.22 ? 533 PRO B CG 1 ATOM 2284 C CD . PRO B 2 32 ? -35.263 33.329 -21.233 1.00 49.60 ? 533 PRO B CD 1 ATOM 2285 N N . TYR B 2 33 ? -33.660 32.369 -24.619 1.00 51.74 ? 534 TYR B N 1 ATOM 2286 C CA . TYR B 2 33 ? -32.805 32.308 -25.806 1.00 53.50 ? 534 TYR B CA 1 ATOM 2287 C C . TYR B 2 33 ? -31.737 31.195 -25.750 1.00 54.59 ? 534 TYR B C 1 ATOM 2288 O O . TYR B 2 33 ? -31.499 30.521 -26.757 1.00 55.18 ? 534 TYR B O 1 ATOM 2289 C CB . TYR B 2 33 ? -32.147 33.673 -26.048 1.00 55.11 ? 534 TYR B CB 1 ATOM 2290 C CG . TYR B 2 33 ? -31.199 33.710 -27.225 1.00 56.67 ? 534 TYR B CG 1 ATOM 2291 C CD1 . TYR B 2 33 ? -29.822 33.618 -27.037 1.00 58.56 ? 534 TYR B CD1 1 ATOM 2292 C CD2 . TYR B 2 33 ? -31.678 33.830 -28.531 1.00 56.67 ? 534 TYR B CD2 1 ATOM 2293 C CE1 . TYR B 2 33 ? -28.944 33.641 -28.114 1.00 60.23 ? 534 TYR B CE1 1 ATOM 2294 C CE2 . TYR B 2 33 ? -30.807 33.856 -29.618 1.00 58.17 ? 534 TYR B CE2 1 ATOM 2295 C CZ . TYR B 2 33 ? -29.441 33.763 -29.404 1.00 59.98 ? 534 TYR B CZ 1 ATOM 2296 O OH . TYR B 2 33 ? -28.566 33.798 -30.469 1.00 62.12 ? 534 TYR B OH 1 ATOM 2297 N N . PHE B 2 34 ? -31.113 31.006 -24.587 1.00 55.26 ? 535 PHE B N 1 ATOM 2298 C CA . PHE B 2 34 ? -30.064 29.992 -24.411 1.00 56.03 ? 535 PHE B CA 1 ATOM 2299 C C . PHE B 2 34 ? -30.560 28.652 -23.874 1.00 55.71 ? 535 PHE B C 1 ATOM 2300 O O . PHE B 2 34 ? -29.914 27.634 -24.087 1.00 56.82 ? 535 PHE B O 1 ATOM 2301 C CB . PHE B 2 34 ? -28.961 30.525 -23.497 1.00 57.20 ? 535 PHE B CB 1 ATOM 2302 C CG . PHE B 2 34 ? -28.154 31.626 -24.113 1.00 58.30 ? 535 PHE B CG 1 ATOM 2303 C CD1 . PHE B 2 34 ? -27.341 31.368 -25.213 1.00 58.81 ? 535 PHE B CD1 1 ATOM 2304 C CD2 . PHE B 2 34 ? -28.201 32.920 -23.602 1.00 58.46 ? 535 PHE B CD2 1 ATOM 2305 C CE1 . PHE B 2 34 ? -26.598 32.375 -25.792 1.00 60.31 ? 535 PHE B CE1 1 ATOM 2306 C CE2 . PHE B 2 34 ? -27.454 33.932 -24.176 1.00 59.63 ? 535 PHE B CE2 1 ATOM 2307 C CZ . PHE B 2 34 ? -26.655 33.659 -25.273 1.00 60.90 ? 535 PHE B CZ 1 ATOM 2308 N N . GLY B 2 35 ? -31.701 28.642 -23.194 1.00 55.39 ? 536 GLY B N 1 ATOM 2309 C CA . GLY B 2 35 ? -32.174 27.451 -22.490 1.00 55.04 ? 536 GLY B CA 1 ATOM 2310 C C . GLY B 2 35 ? -32.650 26.313 -23.373 1.00 54.60 ? 536 GLY B C 1 ATOM 2311 O O . GLY B 2 35 ? -32.524 26.376 -24.588 1.00 54.65 ? 536 GLY B O 1 ATOM 2312 N N . PRO B 2 36 ? -33.213 25.259 -22.763 1.00 54.74 ? 537 PRO B N 1 ATOM 2313 C CA . PRO B 2 36 ? -33.685 24.132 -23.557 1.00 54.83 ? 537 PRO B CA 1 ATOM 2314 C C . PRO B 2 36 ? -34.948 24.455 -24.364 1.00 54.84 ? 537 PRO B C 1 ATOM 2315 O O . PRO B 2 36 ? -35.690 25.391 -24.030 1.00 54.00 ? 537 PRO B O 1 ATOM 2316 C CB . PRO B 2 36 ? -33.995 23.049 -22.510 1.00 54.23 ? 537 PRO B CB 1 ATOM 2317 C CG . PRO B 2 36 ? -33.873 23.692 -21.169 1.00 54.65 ? 537 PRO B CG 1 ATOM 2318 C CD . PRO B 2 36 ? -33.611 25.151 -21.351 1.00 54.98 ? 537 PRO B CD 1 ATOM 2319 N N . ALA B 2 37 ? -35.177 23.664 -25.411 1.00 55.11 ? 538 ALA B N 1 ATOM 2320 C CA . ALA B 2 37 ? -36.421 23.714 -26.163 1.00 55.01 ? 538 ALA B CA 1 ATOM 2321 C C . ALA B 2 37 ? -37.534 23.078 -25.331 1.00 54.60 ? 538 ALA B C 1 ATOM 2322 O O . ALA B 2 37 ? -37.273 22.500 -24.276 1.00 55.81 ? 538 ALA B O 1 ATOM 2323 C CB . ALA B 2 37 ? -36.266 22.983 -27.488 1.00 55.15 ? 538 ALA B CB 1 ATOM 2324 N N . ALA B 2 38 ? -38.766 23.171 -25.828 1.00 54.02 ? 539 ALA B N 1 ATOM 2325 C CA . ALA B 2 38 ? -39.948 22.579 -25.184 1.00 52.75 ? 539 ALA B CA 1 ATOM 2326 C C . ALA B 2 38 ? -39.766 21.122 -24.728 1.00 53.12 ? 539 ALA B C 1 ATOM 2327 O O . ALA B 2 38 ? -40.277 20.733 -23.677 1.00 53.07 ? 539 ALA B O 1 ATOM 2328 C CB . ALA B 2 38 ? -41.150 22.682 -26.113 1.00 51.77 ? 539 ALA B CB 1 ATOM 2329 N N . GLU B 2 39 ? -39.027 20.331 -25.498 1.00 53.86 ? 540 GLU B N 1 ATOM 2330 C CA . GLU B 2 39 ? -38.855 18.902 -25.206 1.00 54.67 ? 540 GLU B CA 1 ATOM 2331 C C . GLU B 2 39 ? -37.865 18.617 -24.069 1.00 53.47 ? 540 GLU B C 1 ATOM 2332 O O . GLU B 2 39 ? -37.860 17.507 -23.538 1.00 53.45 ? 540 GLU B O 1 ATOM 2333 C CB . GLU B 2 39 ? -38.403 18.135 -26.462 1.00 57.25 ? 540 GLU B CB 1 ATOM 2334 C CG . GLU B 2 39 ? -39.434 18.076 -27.588 1.00 58.85 ? 540 GLU B CG 1 ATOM 2335 C CD . GLU B 2 39 ? -39.555 19.369 -28.388 1.00 61.07 ? 540 GLU B CD 1 ATOM 2336 O OE1 . GLU B 2 39 ? -40.687 19.687 -28.818 1.00 62.71 ? 540 GLU B OE1 1 ATOM 2337 O OE2 . GLU B 2 39 ? -38.532 20.080 -28.575 1.00 63.37 ? 540 GLU B OE2 1 ATOM 2338 N N . GLY B 2 40 ? -37.029 19.596 -23.716 1.00 52.41 ? 541 GLY B N 1 ATOM 2339 C CA . GLY B 2 40 ? -35.964 19.405 -22.733 1.00 52.98 ? 541 GLY B CA 1 ATOM 2340 C C . GLY B 2 40 ? -36.171 20.031 -21.362 1.00 52.17 ? 541 GLY B C 1 ATOM 2341 O O . GLY B 2 40 ? -35.204 20.211 -20.625 1.00 52.89 ? 541 GLY B O 1 ATOM 2342 N N . ILE B 2 41 ? -37.414 20.356 -21.010 1.00 50.44 ? 542 ILE B N 1 ATOM 2343 C CA . ILE B 2 41 ? -37.710 21.021 -19.726 1.00 50.46 ? 542 ILE B CA 1 ATOM 2344 C C . ILE B 2 41 ? -38.169 20.055 -18.623 1.00 50.06 ? 542 ILE B C 1 ATOM 2345 O O . ILE B 2 41 ? -38.499 20.492 -17.524 1.00 50.02 ? 542 ILE B O 1 ATOM 2346 C CB . ILE B 2 41 ? -38.764 22.147 -19.883 1.00 49.46 ? 542 ILE B CB 1 ATOM 2347 C CG1 . ILE B 2 41 ? -40.143 21.595 -20.271 1.00 48.13 ? 542 ILE B CG1 1 ATOM 2348 C CG2 . ILE B 2 41 ? -38.296 23.172 -20.903 1.00 50.13 ? 542 ILE B CG2 1 ATOM 2349 C CD1 . ILE B 2 41 ? -41.250 22.617 -20.192 1.00 47.73 ? 542 ILE B CD1 1 ATOM 2350 N N . TYR B 2 42 ? -38.190 18.756 -18.912 1.00 50.15 ? 543 TYR B N 1 ATOM 2351 C CA . TYR B 2 42 ? -38.785 17.779 -18.013 1.00 50.19 ? 543 TYR B CA 1 ATOM 2352 C C . TYR B 2 42 ? -37.755 17.125 -17.122 1.00 52.19 ? 543 TYR B C 1 ATOM 2353 O O . TYR B 2 42 ? -36.606 16.943 -17.509 1.00 53.72 ? 543 TYR B O 1 ATOM 2354 C CB . TYR B 2 42 ? -39.534 16.704 -18.800 1.00 48.93 ? 543 TYR B CB 1 ATOM 2355 C CG . TYR B 2 42 ? -40.589 17.290 -19.692 1.00 47.24 ? 543 TYR B CG 1 ATOM 2356 C CD1 . TYR B 2 42 ? -41.825 17.666 -19.181 1.00 46.19 ? 543 TYR B CD1 1 ATOM 2357 C CD2 . TYR B 2 42 ? -40.339 17.501 -21.046 1.00 47.09 ? 543 TYR B CD2 1 ATOM 2358 C CE1 . TYR B 2 42 ? -42.792 18.224 -19.997 1.00 45.30 ? 543 TYR B CE1 1 ATOM 2359 C CE2 . TYR B 2 42 ? -41.298 18.056 -21.873 1.00 45.72 ? 543 TYR B CE2 1 ATOM 2360 C CZ . TYR B 2 42 ? -42.518 18.416 -21.348 1.00 44.78 ? 543 TYR B CZ 1 ATOM 2361 O OH . TYR B 2 42 ? -43.460 18.969 -22.170 1.00 43.27 ? 543 TYR B OH 1 ATOM 2362 N N . ILE B 2 43 ? -38.191 16.796 -15.914 1.00 53.78 ? 544 ILE B N 1 ATOM 2363 C CA . ILE B 2 43 ? -37.452 15.933 -15.005 1.00 56.05 ? 544 ILE B CA 1 ATOM 2364 C C . ILE B 2 43 ? -38.283 14.671 -14.847 1.00 55.59 ? 544 ILE B C 1 ATOM 2365 O O . ILE B 2 43 ? -39.487 14.679 -15.106 1.00 53.45 ? 544 ILE B O 1 ATOM 2366 C CB . ILE B 2 43 ? -37.184 16.598 -13.630 1.00 58.03 ? 544 ILE B CB 1 ATOM 2367 C CG1 . ILE B 2 43 ? -38.480 17.029 -12.939 1.00 58.42 ? 544 ILE B CG1 1 ATOM 2368 C CG2 . ILE B 2 43 ? -36.268 17.806 -13.788 1.00 58.67 ? 544 ILE B CG2 1 ATOM 2369 C CD1 . ILE B 2 43 ? -38.280 17.446 -11.496 1.00 60.66 ? 544 ILE B CD1 1 ATOM 2370 N N . GLU B 2 44 ? -37.634 13.596 -14.424 1.00 57.52 ? 545 GLU B N 1 ATOM 2371 C CA . GLU B 2 44 ? -38.291 12.307 -14.246 1.00 58.18 ? 545 GLU B CA 1 ATOM 2372 C C . GLU B 2 44 ? -37.963 11.700 -12.894 1.00 58.07 ? 545 GLU B C 1 ATOM 2373 O O . GLU B 2 44 ? -36.983 12.073 -12.260 1.00 58.59 ? 545 GLU B O 1 ATOM 2374 C CB . GLU B 2 44 ? -37.866 11.336 -15.349 1.00 60.07 ? 545 GLU B CB 1 ATOM 2375 C CG . GLU B 2 44 ? -36.362 11.119 -15.451 1.00 62.98 ? 545 GLU B CG 1 ATOM 2376 C CD . GLU B 2 44 ? -36.003 9.769 -16.032 1.00 65.58 ? 545 GLU B CD 1 ATOM 2377 O OE1 . GLU B 2 44 ? -36.402 8.742 -15.433 1.00 65.67 ? 545 GLU B OE1 1 ATOM 2378 O OE2 . GLU B 2 44 ? -35.315 9.743 -17.083 1.00 67.98 ? 545 GLU B OE2 1 ATOM 2379 N N . GLY B 2 45 ? -38.790 10.750 -12.478 1.00 57.37 ? 546 GLY B N 1 ATOM 2380 C CA . GLY B 2 45 ? -38.526 9.948 -11.283 1.00 57.81 ? 546 GLY B CA 1 ATOM 2381 C C . GLY B 2 45 ? -39.433 8.742 -11.246 1.00 57.22 ? 546 GLY B C 1 ATOM 2382 O O . GLY B 2 45 ? -40.302 8.596 -12.110 1.00 56.10 ? 546 GLY B O 1 ATOM 2383 N N . LEU B 2 46 ? -39.237 7.893 -10.238 1.00 58.21 ? 547 LEU B N 1 ATOM 2384 C CA . LEU B 2 46 ? -39.965 6.632 -10.098 1.00 58.34 ? 547 LEU B CA 1 ATOM 2385 C C . LEU B 2 46 ? -40.502 6.487 -8.680 1.00 58.81 ? 547 LEU B C 1 ATOM 2386 O O . LEU B 2 46 ? -39.741 6.557 -7.728 1.00 60.59 ? 547 LEU B O 1 ATOM 2387 C CB . LEU B 2 46 ? -39.035 5.461 -10.426 1.00 59.60 ? 547 LEU B CB 1 ATOM 2388 C CG . LEU B 2 46 ? -39.635 4.052 -10.502 1.00 60.06 ? 547 LEU B CG 1 ATOM 2389 C CD1 . LEU B 2 46 ? -40.752 3.954 -11.532 1.00 58.83 ? 547 LEU B CD1 1 ATOM 2390 C CD2 . LEU B 2 46 ? -38.535 3.052 -10.823 1.00 61.55 ? 547 LEU B CD2 1 ATOM 2391 N N . MET B 2 47 ? -41.813 6.300 -8.549 1.00 58.79 ? 548 MET B N 1 ATOM 2392 C CA . MET B 2 47 ? -42.463 6.086 -7.255 1.00 60.00 ? 548 MET B CA 1 ATOM 2393 C C . MET B 2 47 ? -42.993 4.664 -7.208 1.00 59.00 ? 548 MET B C 1 ATOM 2394 O O . MET B 2 47 ? -43.573 4.189 -8.182 1.00 57.89 ? 548 MET B O 1 ATOM 2395 C CB . MET B 2 47 ? -43.628 7.051 -7.066 1.00 60.89 ? 548 MET B CB 1 ATOM 2396 C CG . MET B 2 47 ? -43.230 8.512 -6.953 1.00 62.94 ? 548 MET B CG 1 ATOM 2397 S SD . MET B 2 47 ? -44.547 9.617 -7.523 1.00 66.12 ? 548 MET B SD 1 ATOM 2398 C CE . MET B 2 47 ? -45.778 9.327 -6.248 1.00 65.23 ? 548 MET B CE 1 ATOM 2399 N N . HIS B 2 48 ? -42.799 4.001 -6.072 1.00 59.20 ? 549 HIS B N 1 ATOM 2400 C CA . HIS B 2 48 ? -43.295 2.641 -5.850 1.00 58.93 ? 549 HIS B CA 1 ATOM 2401 C C . HIS B 2 48 ? -44.560 2.680 -4.997 1.00 57.50 ? 549 HIS B C 1 ATOM 2402 O O . HIS B 2 48 ? -44.935 3.739 -4.499 1.00 56.52 ? 549 HIS B O 1 ATOM 2403 C CB . HIS B 2 48 ? -42.192 1.795 -5.224 1.00 60.88 ? 549 HIS B CB 1 ATOM 2404 C CG . HIS B 2 48 ? -40.931 1.788 -6.031 1.00 62.22 ? 549 HIS B CG 1 ATOM 2405 N ND1 . HIS B 2 48 ? -40.840 1.165 -7.258 1.00 61.92 ? 549 HIS B ND1 1 ATOM 2406 C CD2 . HIS B 2 48 ? -39.724 2.361 -5.811 1.00 63.71 ? 549 HIS B CD2 1 ATOM 2407 C CE1 . HIS B 2 48 ? -39.627 1.339 -7.752 1.00 62.61 ? 549 HIS B CE1 1 ATOM 2408 N NE2 . HIS B 2 48 ? -38.931 2.063 -6.894 1.00 63.93 ? 549 HIS B NE2 1 ATOM 2409 N N . ASN B 2 49 ? -45.207 1.526 -4.826 1.00 57.01 ? 550 ASN B N 1 ATOM 2410 C CA . ASN B 2 49 ? -46.555 1.442 -4.237 1.00 55.98 ? 550 ASN B CA 1 ATOM 2411 C C . ASN B 2 49 ? -46.548 1.324 -2.698 1.00 56.99 ? 550 ASN B C 1 ATOM 2412 O O . ASN B 2 49 ? -47.364 0.597 -2.122 1.00 56.91 ? 550 ASN B O 1 ATOM 2413 C CB . ASN B 2 49 ? -47.300 0.253 -4.876 1.00 55.75 ? 550 ASN B CB 1 ATOM 2414 C CG . ASN B 2 49 ? -48.823 0.359 -4.783 1.00 55.27 ? 550 ASN B CG 1 ATOM 2415 O OD1 . ASN B 2 49 ? -49.411 1.443 -4.830 1.00 53.82 ? 550 ASN B OD1 1 ATOM 2416 N ND2 . ASN B 2 49 ? -49.470 -0.794 -4.650 1.00 56.43 ? 550 ASN B ND2 1 ATOM 2417 N N . GLN B 2 50 ? -45.646 2.054 -2.036 1.00 57.45 ? 551 GLN B N 1 ATOM 2418 C CA . GLN B 2 50 ? -45.603 2.117 -0.574 1.00 59.13 ? 551 GLN B CA 1 ATOM 2419 C C . GLN B 2 50 ? -46.934 2.683 -0.099 1.00 57.32 ? 551 GLN B C 1 ATOM 2420 O O . GLN B 2 50 ? -47.430 3.640 -0.681 1.00 55.34 ? 551 GLN B O 1 ATOM 2421 C CB . GLN B 2 50 ? -44.416 2.978 -0.111 1.00 60.91 ? 551 GLN B CB 1 ATOM 2422 C CG . GLN B 2 50 ? -44.267 3.189 1.393 1.00 64.22 ? 551 GLN B CG 1 ATOM 2423 C CD . GLN B 2 50 ? -44.053 1.909 2.210 1.00 67.10 ? 551 GLN B CD 1 ATOM 2424 O OE1 . GLN B 2 50 ? -43.476 0.924 1.739 1.00 69.96 ? 551 GLN B OE1 1 ATOM 2425 N NE2 . GLN B 2 50 ? -44.499 1.938 3.455 1.00 68.37 ? 551 GLN B NE2 1 ATOM 2426 N N . ASP B 2 51 ? -47.529 2.043 0.912 1.00 58.01 ? 552 ASP B N 1 ATOM 2427 C CA . ASP B 2 51 ? -48.858 2.396 1.446 1.00 57.64 ? 552 ASP B CA 1 ATOM 2428 C C . ASP B 2 51 ? -50.011 2.268 0.432 1.00 55.79 ? 552 ASP B C 1 ATOM 2429 O O . ASP B 2 51 ? -51.068 2.869 0.606 1.00 55.31 ? 552 ASP B O 1 ATOM 2430 C CB . ASP B 2 51 ? -48.843 3.812 2.054 1.00 57.79 ? 552 ASP B CB 1 ATOM 2431 C CG . ASP B 2 51 ? -47.926 3.936 3.250 1.00 60.03 ? 552 ASP B CG 1 ATOM 2432 O OD1 . ASP B 2 51 ? -47.349 5.031 3.419 1.00 60.66 ? 552 ASP B OD1 1 ATOM 2433 O OD2 . ASP B 2 51 ? -47.787 2.967 4.028 1.00 62.19 ? 552 ASP B OD2 1 ATOM 2434 N N . GLY B 2 52 ? -49.813 1.471 -0.614 1.00 55.37 ? 553 GLY B N 1 ATOM 2435 C CA . GLY B 2 52 ? -50.767 1.371 -1.718 1.00 54.08 ? 553 GLY B CA 1 ATOM 2436 C C . GLY B 2 52 ? -51.143 2.675 -2.407 1.00 52.62 ? 553 GLY B C 1 ATOM 2437 O O . GLY B 2 52 ? -52.223 2.764 -2.989 1.00 51.47 ? 553 GLY B O 1 ATOM 2438 N N . LEU B 2 53 ? -50.254 3.671 -2.367 1.00 52.78 ? 554 LEU B N 1 ATOM 2439 C CA . LEU B 2 53 ? -50.580 5.020 -2.856 1.00 51.91 ? 554 LEU B CA 1 ATOM 2440 C C . LEU B 2 53 ? -50.677 5.112 -4.378 1.00 49.89 ? 554 LEU B C 1 ATOM 2441 O O . LEU B 2 53 ? -51.454 5.912 -4.883 1.00 47.95 ? 554 LEU B O 1 ATOM 2442 C CB . LEU B 2 53 ? -49.587 6.068 -2.330 1.00 52.90 ? 554 LEU B CB 1 ATOM 2443 C CG . LEU B 2 53 ? -49.499 6.175 -0.795 1.00 55.55 ? 554 LEU B CG 1 ATOM 2444 C CD1 . LEU B 2 53 ? -48.328 7.067 -0.390 1.00 56.53 ? 554 LEU B CD1 1 ATOM 2445 C CD2 . LEU B 2 53 ? -50.796 6.647 -0.132 1.00 55.31 ? 554 LEU B CD2 1 ATOM 2446 N N . ILE B 2 54 ? -49.919 4.295 -5.105 1.00 50.23 ? 555 ILE B N 1 ATOM 2447 C CA . ILE B 2 54 ? -49.976 4.318 -6.573 1.00 49.49 ? 555 ILE B CA 1 ATOM 2448 C C . ILE B 2 54 ? -51.308 3.752 -7.046 1.00 49.52 ? 555 ILE B C 1 ATOM 2449 O O . ILE B 2 54 ? -51.996 4.385 -7.840 1.00 48.78 ? 555 ILE B O 1 ATOM 2450 C CB . ILE B 2 54 ? -48.799 3.573 -7.244 1.00 49.74 ? 555 ILE B CB 1 ATOM 2451 C CG1 . ILE B 2 54 ? -47.455 4.175 -6.811 1.00 50.60 ? 555 ILE B CG1 1 ATOM 2452 C CG2 . ILE B 2 54 ? -48.932 3.599 -8.765 1.00 48.36 ? 555 ILE B CG2 1 ATOM 2453 C CD1 . ILE B 2 54 ? -47.293 5.656 -7.088 1.00 50.01 ? 555 ILE B CD1 1 ATOM 2454 N N . CYS B 2 55 ? -51.675 2.580 -6.542 1.00 51.49 ? 556 CYS B N 1 ATOM 2455 C CA . CYS B 2 55 ? -52.974 1.980 -6.868 1.00 52.34 ? 556 CYS B CA 1 ATOM 2456 C C . CYS B 2 55 ? -54.149 2.850 -6.407 1.00 50.84 ? 556 CYS B C 1 ATOM 2457 O O . CYS B 2 55 ? -55.150 2.964 -7.122 1.00 49.69 ? 556 CYS B O 1 ATOM 2458 C CB . CYS B 2 55 ? -53.082 0.546 -6.311 1.00 55.21 ? 556 CYS B CB 1 ATOM 2459 S SG . CYS B 2 55 ? -52.022 -0.664 -7.172 1.00 59.23 ? 556 CYS B SG 1 ATOM 2460 N N . GLY B 2 56 ? -54.019 3.480 -5.239 1.00 50.22 ? 557 GLY B N 1 ATOM 2461 C CA . GLY B 2 56 ? -55.006 4.455 -4.783 1.00 49.08 ? 557 GLY B CA 1 ATOM 2462 C C . GLY B 2 56 ? -55.129 5.646 -5.723 1.00 47.35 ? 557 GLY B C 1 ATOM 2463 O O . GLY B 2 56 ? -56.233 6.059 -6.084 1.00 46.02 ? 557 GLY B O 1 ATOM 2464 N N . LEU B 2 57 ? -53.985 6.189 -6.125 1.00 46.98 ? 558 LEU B N 1 ATOM 2465 C CA . LEU B 2 57 ? -53.938 7.344 -7.013 1.00 46.46 ? 558 LEU B CA 1 ATOM 2466 C C . LEU B 2 57 ? -54.564 7.051 -8.391 1.00 44.90 ? 558 LEU B C 1 ATOM 2467 O O . LEU B 2 57 ? -55.271 7.893 -8.933 1.00 43.54 ? 558 LEU B O 1 ATOM 2468 C CB . LEU B 2 57 ? -52.487 7.822 -7.165 1.00 47.82 ? 558 LEU B CB 1 ATOM 2469 C CG . LEU B 2 57 ? -52.243 9.091 -7.978 1.00 48.31 ? 558 LEU B CG 1 ATOM 2470 C CD1 . LEU B 2 57 ? -52.903 10.290 -7.310 1.00 48.80 ? 558 LEU B CD1 1 ATOM 2471 C CD2 . LEU B 2 57 ? -50.752 9.329 -8.144 1.00 49.18 ? 558 LEU B CD2 1 ATOM 2472 N N . ARG B 2 58 ? -54.323 5.862 -8.944 1.00 44.72 ? 559 ARG B N 1 ATOM 2473 C CA . ARG B 2 58 ? -54.970 5.469 -10.208 1.00 43.85 ? 559 ARG B CA 1 ATOM 2474 C C . ARG B 2 58 ? -56.483 5.452 -10.057 1.00 43.55 ? 559 ARG B C 1 ATOM 2475 O O . ARG B 2 58 ? -57.197 5.983 -10.901 1.00 42.41 ? 559 ARG B O 1 ATOM 2476 C CB . ARG B 2 58 ? -54.478 4.109 -10.694 1.00 44.11 ? 559 ARG B CB 1 ATOM 2477 C CG . ARG B 2 58 ? -53.023 4.137 -11.101 1.00 44.18 ? 559 ARG B CG 1 ATOM 2478 C CD . ARG B 2 58 ? -52.594 2.863 -11.803 1.00 44.89 ? 559 ARG B CD 1 ATOM 2479 N NE . ARG B 2 58 ? -51.143 2.837 -11.958 1.00 44.96 ? 559 ARG B NE 1 ATOM 2480 C CZ . ARG B 2 58 ? -50.459 3.567 -12.838 1.00 44.60 ? 559 ARG B CZ 1 ATOM 2481 N NH1 . ARG B 2 58 ? -49.133 3.469 -12.867 1.00 45.20 ? 559 ARG B NH1 1 ATOM 2482 N NH2 . ARG B 2 58 ? -51.083 4.390 -13.689 1.00 43.24 ? 559 ARG B NH2 1 ATOM 2483 N N . GLN B 2 59 ? -56.957 4.868 -8.960 1.00 44.39 ? 560 GLN B N 1 ATOM 2484 C CA . GLN B 2 59 ? -58.381 4.836 -8.661 1.00 44.62 ? 560 GLN B CA 1 ATOM 2485 C C . GLN B 2 59 ? -58.929 6.233 -8.398 1.00 43.98 ? 560 GLN B C 1 ATOM 2486 O O . GLN B 2 59 ? -60.035 6.551 -8.840 1.00 43.97 ? 560 GLN B O 1 ATOM 2487 C CB . GLN B 2 59 ? -58.656 3.915 -7.469 1.00 46.06 ? 560 GLN B CB 1 ATOM 2488 C CG . GLN B 2 59 ? -60.128 3.753 -7.105 1.00 46.95 ? 560 GLN B CG 1 ATOM 2489 C CD . GLN B 2 59 ? -60.969 3.112 -8.205 1.00 47.46 ? 560 GLN B CD 1 ATOM 2490 O OE1 . GLN B 2 59 ? -60.466 2.341 -9.033 1.00 47.42 ? 560 GLN B OE1 1 ATOM 2491 N NE2 . GLN B 2 59 ? -62.266 3.421 -8.209 1.00 47.61 ? 560 GLN B NE2 1 ATOM 2492 N N . LEU B 2 60 ? -58.172 7.063 -7.683 1.00 44.18 ? 561 LEU B N 1 ATOM 2493 C CA . LEU B 2 60 ? -58.615 8.438 -7.392 1.00 43.79 ? 561 LEU B CA 1 ATOM 2494 C C . LEU B 2 60 ? -58.837 9.235 -8.683 1.00 42.92 ? 561 LEU B C 1 ATOM 2495 O O . LEU B 2 60 ? -59.841 9.935 -8.817 1.00 42.46 ? 561 LEU B O 1 ATOM 2496 C CB . LEU B 2 60 ? -57.623 9.166 -6.484 1.00 43.60 ? 561 LEU B CB 1 ATOM 2497 C CG . LEU B 2 60 ? -57.912 10.649 -6.221 1.00 43.25 ? 561 LEU B CG 1 ATOM 2498 C CD1 . LEU B 2 60 ? -59.266 10.838 -5.561 1.00 43.60 ? 561 LEU B CD1 1 ATOM 2499 C CD2 . LEU B 2 60 ? -56.812 11.260 -5.373 1.00 43.94 ? 561 LEU B CD2 1 ATOM 2500 N N . ALA B 2 61 ? -57.895 9.128 -9.616 1.00 43.05 ? 562 ALA B N 1 ATOM 2501 C CA . ALA B 2 61 ? -58.000 9.818 -10.911 1.00 42.92 ? 562 ALA B CA 1 ATOM 2502 C C . ALA B 2 61 ? -59.241 9.370 -11.675 1.00 43.39 ? 562 ALA B C 1 ATOM 2503 O O . ALA B 2 61 ? -59.993 10.193 -12.170 1.00 42.72 ? 562 ALA B O 1 ATOM 2504 C CB . ALA B 2 61 ? -56.753 9.584 -11.745 1.00 42.40 ? 562 ALA B CB 1 ATOM 2505 N N . ASN B 2 62 ? -59.446 8.060 -11.736 1.00 45.62 ? 563 ASN B N 1 ATOM 2506 C CA . ASN B 2 62 ? -60.666 7.466 -12.286 1.00 47.85 ? 563 ASN B CA 1 ATOM 2507 C C . ASN B 2 62 ? -61.939 8.064 -11.672 1.00 48.26 ? 563 ASN B C 1 ATOM 2508 O O . ASN B 2 62 ? -62.801 8.549 -12.404 1.00 47.54 ? 563 ASN B O 1 ATOM 2509 C CB . ASN B 2 62 ? -60.622 5.942 -12.089 1.00 50.36 ? 563 ASN B CB 1 ATOM 2510 C CG . ASN B 2 62 ? -61.918 5.246 -12.476 1.00 53.25 ? 563 ASN B CG 1 ATOM 2511 O OD1 . ASN B 2 62 ? -62.821 5.084 -11.647 1.00 52.99 ? 563 ASN B OD1 1 ATOM 2512 N ND2 . ASN B 2 62 ? -62.007 4.816 -13.732 1.00 55.74 ? 563 ASN B ND2 1 ATOM 2513 N N . GLU B 2 63 ? -62.045 8.027 -10.340 1.00 49.37 ? 564 GLU B N 1 ATOM 2514 C CA . GLU B 2 63 ? -63.239 8.536 -9.627 1.00 50.34 ? 564 GLU B CA 1 ATOM 2515 C C . GLU B 2 63 ? -63.437 10.049 -9.712 1.00 48.62 ? 564 GLU B C 1 ATOM 2516 O O . GLU B 2 63 ? -64.561 10.531 -9.587 1.00 48.99 ? 564 GLU B O 1 ATOM 2517 C CB . GLU B 2 63 ? -63.204 8.146 -8.149 1.00 52.55 ? 564 GLU B CB 1 ATOM 2518 C CG . GLU B 2 63 ? -63.370 6.660 -7.903 1.00 54.89 ? 564 GLU B CG 1 ATOM 2519 C CD . GLU B 2 63 ? -63.217 6.284 -6.442 1.00 57.58 ? 564 GLU B CD 1 ATOM 2520 O OE1 . GLU B 2 63 ? -63.124 7.197 -5.575 1.00 58.91 ? 564 GLU B OE1 1 ATOM 2521 O OE2 . GLU B 2 63 ? -63.192 5.063 -6.163 1.00 59.62 ? 564 GLU B OE2 1 ATOM 2522 N N . THR B 2 64 ? -62.344 10.789 -9.885 1.00 47.10 ? 565 THR B N 1 ATOM 2523 C CA . THR B 2 64 ? -62.379 12.249 -10.059 1.00 45.58 ? 565 THR B CA 1 ATOM 2524 C C . THR B 2 64 ? -63.067 12.693 -11.362 1.00 44.33 ? 565 THR B C 1 ATOM 2525 O O . THR B 2 64 ? -63.595 13.810 -11.435 1.00 43.12 ? 565 THR B O 1 ATOM 2526 C CB . THR B 2 64 ? -60.942 12.813 -9.996 1.00 44.97 ? 565 THR B CB 1 ATOM 2527 O OG1 . THR B 2 64 ? -60.400 12.536 -8.702 1.00 45.34 ? 565 THR B OG1 1 ATOM 2528 C CG2 . THR B 2 64 ? -60.885 14.313 -10.249 1.00 44.54 ? 565 THR B CG2 1 ATOM 2529 N N . THR B 2 65 ? -63.087 11.813 -12.360 1.00 43.80 ? 566 THR B N 1 ATOM 2530 C CA . THR B 2 65 ? -63.455 12.180 -13.728 1.00 43.65 ? 566 THR B CA 1 ATOM 2531 C C . THR B 2 65 ? -64.864 12.754 -13.893 1.00 44.17 ? 566 THR B C 1 ATOM 2532 O O . THR B 2 65 ? -65.042 13.784 -14.549 1.00 43.06 ? 566 THR B O 1 ATOM 2533 C CB . THR B 2 65 ? -63.279 10.982 -14.683 1.00 43.85 ? 566 THR B CB 1 ATOM 2534 O OG1 . THR B 2 65 ? -61.982 10.401 -14.480 1.00 43.89 ? 566 THR B OG1 1 ATOM 2535 C CG2 . THR B 2 65 ? -63.407 11.433 -16.141 1.00 42.99 ? 566 THR B CG2 1 ATOM 2536 N N . GLN B 2 66 ? -65.852 12.102 -13.291 1.00 45.73 ? 567 GLN B N 1 ATOM 2537 C CA . GLN B 2 66 ? -67.241 12.557 -13.402 1.00 47.10 ? 567 GLN B CA 1 ATOM 2538 C C . GLN B 2 66 ? -67.428 14.004 -12.924 1.00 46.45 ? 567 GLN B C 1 ATOM 2539 O O . GLN B 2 66 ? -67.947 14.842 -13.660 1.00 45.99 ? 567 GLN B O 1 ATOM 2540 C CB . GLN B 2 66 ? -68.178 11.613 -12.636 1.00 49.28 ? 567 GLN B CB 1 ATOM 2541 C CG . GLN B 2 66 ? -69.631 12.081 -12.602 1.00 50.96 ? 567 GLN B CG 1 ATOM 2542 C CD . GLN B 2 66 ? -70.610 11.019 -12.144 1.00 53.12 ? 567 GLN B CD 1 ATOM 2543 O OE1 . GLN B 2 66 ? -70.321 9.823 -12.160 1.00 54.81 ? 567 GLN B OE1 1 ATOM 2544 N NE2 . GLN B 2 66 ? -71.787 11.457 -11.735 1.00 54.49 ? 567 GLN B NE2 1 ATOM 2545 N N . ALA B 2 67 ? -67.006 14.284 -11.692 1.00 45.92 ? 568 ALA B N 1 ATOM 2546 C CA . ALA B 2 67 ? -67.128 15.630 -11.118 1.00 45.10 ? 568 ALA B CA 1 ATOM 2547 C C . ALA B 2 67 ? -66.315 16.654 -11.904 1.00 43.49 ? 568 ALA B C 1 ATOM 2548 O O . ALA B 2 67 ? -66.764 17.789 -12.100 1.00 43.56 ? 568 ALA B O 1 ATOM 2549 C CB . ALA B 2 67 ? -66.716 15.637 -9.651 1.00 45.24 ? 568 ALA B CB 1 ATOM 2550 N N . LEU B 2 68 ? -65.124 16.260 -12.347 1.00 42.05 ? 569 LEU B N 1 ATOM 2551 C CA . LEU B 2 68 ? -64.297 17.137 -13.175 1.00 41.02 ? 569 LEU B CA 1 ATOM 2552 C C . LEU B 2 68 ? -64.984 17.447 -14.516 1.00 40.95 ? 569 LEU B C 1 ATOM 2553 O O . LEU B 2 68 ? -65.034 18.598 -14.925 1.00 40.48 ? 569 LEU B O 1 ATOM 2554 C CB . LEU B 2 68 ? -62.915 16.523 -13.406 1.00 40.14 ? 569 LEU B CB 1 ATOM 2555 C CG . LEU B 2 68 ? -61.927 17.344 -14.238 1.00 39.20 ? 569 LEU B CG 1 ATOM 2556 C CD1 . LEU B 2 68 ? -61.749 18.741 -13.669 1.00 39.01 ? 569 LEU B CD1 1 ATOM 2557 C CD2 . LEU B 2 68 ? -60.596 16.619 -14.326 1.00 38.96 ? 569 LEU B CD2 1 ATOM 2558 N N . GLN B 2 69 ? -65.517 16.422 -15.177 1.00 41.72 ? 570 GLN B N 1 ATOM 2559 C CA . GLN B 2 69 ? -66.235 16.603 -16.447 1.00 42.40 ? 570 GLN B CA 1 ATOM 2560 C C . GLN B 2 69 ? -67.477 17.481 -16.279 1.00 42.79 ? 570 GLN B C 1 ATOM 2561 O O . GLN B 2 69 ? -67.756 18.335 -17.123 1.00 43.24 ? 570 GLN B O 1 ATOM 2562 C CB . GLN B 2 69 ? -66.628 15.252 -17.066 1.00 43.17 ? 570 GLN B CB 1 ATOM 2563 C CG . GLN B 2 69 ? -65.462 14.428 -17.611 1.00 43.25 ? 570 GLN B CG 1 ATOM 2564 C CD . GLN B 2 69 ? -64.968 14.884 -18.977 1.00 43.28 ? 570 GLN B CD 1 ATOM 2565 O OE1 . GLN B 2 69 ? -65.143 16.031 -19.371 1.00 43.43 ? 570 GLN B OE1 1 ATOM 2566 N NE2 . GLN B 2 69 ? -64.325 13.979 -19.696 1.00 43.94 ? 570 GLN B NE2 1 ATOM 2567 N N . LEU B 2 70 ? -68.209 17.291 -15.186 1.00 43.20 ? 571 LEU B N 1 ATOM 2568 C CA . LEU B 2 70 ? -69.366 18.146 -14.894 1.00 43.42 ? 571 LEU B CA 1 ATOM 2569 C C . LEU B 2 70 ? -68.971 19.582 -14.589 1.00 42.72 ? 571 LEU B C 1 ATOM 2570 O O . LEU B 2 70 ? -69.696 20.511 -14.936 1.00 43.73 ? 571 LEU B O 1 ATOM 2571 C CB . LEU B 2 70 ? -70.192 17.577 -13.746 1.00 44.03 ? 571 LEU B CB 1 ATOM 2572 C CG . LEU B 2 70 ? -70.928 16.292 -14.111 1.00 44.88 ? 571 LEU B CG 1 ATOM 2573 C CD1 . LEU B 2 70 ? -71.494 15.666 -12.843 1.00 45.85 ? 571 LEU B CD1 1 ATOM 2574 C CD2 . LEU B 2 70 ? -72.022 16.539 -15.149 1.00 45.06 ? 571 LEU B CD2 1 ATOM 2575 N N . PHE B 2 71 ? -67.829 19.765 -13.939 1.00 42.13 ? 572 PHE B N 1 ATOM 2576 C CA . PHE B 2 71 ? -67.291 21.095 -13.723 1.00 41.92 ? 572 PHE B CA 1 ATOM 2577 C C . PHE B 2 71 ? -66.923 21.760 -15.056 1.00 41.67 ? 572 PHE B C 1 ATOM 2578 O O . PHE B 2 71 ? -67.218 22.933 -15.259 1.00 41.82 ? 572 PHE B O 1 ATOM 2579 C CB . PHE B 2 71 ? -66.080 21.040 -12.792 1.00 42.19 ? 572 PHE B CB 1 ATOM 2580 C CG . PHE B 2 71 ? -65.351 22.339 -12.686 1.00 42.48 ? 572 PHE B CG 1 ATOM 2581 C CD1 . PHE B 2 71 ? -65.746 23.300 -11.765 1.00 43.67 ? 572 PHE B CD1 1 ATOM 2582 C CD2 . PHE B 2 71 ? -64.285 22.613 -13.520 1.00 42.41 ? 572 PHE B CD2 1 ATOM 2583 C CE1 . PHE B 2 71 ? -65.084 24.516 -11.682 1.00 43.54 ? 572 PHE B CE1 1 ATOM 2584 C CE2 . PHE B 2 71 ? -63.617 23.822 -13.439 1.00 42.94 ? 572 PHE B CE2 1 ATOM 2585 C CZ . PHE B 2 71 ? -64.014 24.775 -12.521 1.00 42.89 ? 572 PHE B CZ 1 ATOM 2586 N N . LEU B 2 72 ? -66.274 21.015 -15.953 1.00 41.50 ? 573 LEU B N 1 ATOM 2587 C CA . LEU B 2 72 ? -65.861 21.556 -17.256 1.00 41.32 ? 573 LEU B CA 1 ATOM 2588 C C . LEU B 2 72 ? -67.050 21.846 -18.182 1.00 41.99 ? 573 LEU B C 1 ATOM 2589 O O . LEU B 2 72 ? -67.011 22.805 -18.945 1.00 41.84 ? 573 LEU B O 1 ATOM 2590 C CB . LEU B 2 72 ? -64.861 20.628 -17.947 1.00 40.89 ? 573 LEU B CB 1 ATOM 2591 C CG . LEU B 2 72 ? -63.528 20.441 -17.219 1.00 40.67 ? 573 LEU B CG 1 ATOM 2592 C CD1 . LEU B 2 72 ? -62.703 19.351 -17.891 1.00 40.77 ? 573 LEU B CD1 1 ATOM 2593 C CD2 . LEU B 2 72 ? -62.759 21.752 -17.162 1.00 40.58 ? 573 LEU B CD2 1 ATOM 2594 N N . ARG B 2 73 ? -68.103 21.037 -18.106 1.00 42.80 ? 574 ARG B N 1 ATOM 2595 C CA . ARG B 2 73 ? -69.340 21.326 -18.845 1.00 44.07 ? 574 ARG B CA 1 ATOM 2596 C C . ARG B 2 73 ? -69.939 22.668 -18.437 1.00 44.87 ? 574 ARG B C 1 ATOM 2597 O O . ARG B 2 73 ? -70.455 23.391 -19.289 1.00 46.09 ? 574 ARG B O 1 ATOM 2598 C CB . ARG B 2 73 ? -70.376 20.221 -18.628 1.00 45.16 ? 574 ARG B CB 1 ATOM 2599 C CG . ARG B 2 73 ? -71.774 20.520 -19.164 1.00 46.46 ? 574 ARG B CG 1 ATOM 2600 C CD . ARG B 2 73 ? -72.760 19.455 -18.727 1.00 47.75 ? 574 ARG B CD 1 ATOM 2601 N NE . ARG B 2 73 ? -72.394 18.148 -19.259 1.00 48.58 ? 574 ARG B NE 1 ATOM 2602 C CZ . ARG B 2 73 ? -73.000 17.001 -18.961 1.00 49.90 ? 574 ARG B CZ 1 ATOM 2603 N NH1 . ARG B 2 73 ? -74.040 16.971 -18.134 1.00 50.69 ? 574 ARG B NH1 1 ATOM 2604 N NH2 . ARG B 2 73 ? -72.563 15.871 -19.512 1.00 50.66 ? 574 ARG B NH2 1 ATOM 2605 N N . ALA B 2 74 ? -69.884 22.983 -17.141 1.00 44.11 ? 575 ALA B N 1 ATOM 2606 C CA . ALA B 2 74 ? -70.519 24.182 -16.597 1.00 44.27 ? 575 ALA B CA 1 ATOM 2607 C C . ALA B 2 74 ? -69.680 25.447 -16.714 1.00 43.69 ? 575 ALA B C 1 ATOM 2608 O O . ALA B 2 74 ? -70.212 26.536 -16.567 1.00 45.18 ? 575 ALA B O 1 ATOM 2609 C CB . ALA B 2 74 ? -70.903 23.956 -15.140 1.00 44.61 ? 575 ALA B CB 1 ATOM 2610 N N . THR B 2 75 ? -68.377 25.327 -16.934 1.00 43.28 ? 576 THR B N 1 ATOM 2611 C CA . THR B 2 75 ? -67.534 26.517 -17.100 1.00 43.36 ? 576 THR B CA 1 ATOM 2612 C C . THR B 2 75 ? -67.538 26.990 -18.551 1.00 43.96 ? 576 THR B C 1 ATOM 2613 O O . THR B 2 75 ? -67.724 26.195 -19.476 1.00 43.29 ? 576 THR B O 1 ATOM 2614 C CB . THR B 2 75 ? -66.077 26.292 -16.630 1.00 42.84 ? 576 THR B CB 1 ATOM 2615 O OG1 . THR B 2 75 ? -65.393 27.550 -16.587 1.00 42.48 ? 576 THR B OG1 1 ATOM 2616 C CG2 . THR B 2 75 ? -65.303 25.352 -17.562 1.00 42.55 ? 576 THR B CG2 1 ATOM 2617 N N . THR B 2 76 ? -67.332 28.291 -18.727 1.00 45.35 ? 577 THR B N 1 ATOM 2618 C CA . THR B 2 76 ? -67.166 28.908 -20.042 1.00 46.57 ? 577 THR B CA 1 ATOM 2619 C C . THR B 2 76 ? -65.710 29.221 -20.368 1.00 46.34 ? 577 THR B C 1 ATOM 2620 O O . THR B 2 76 ? -65.431 29.641 -21.484 1.00 47.94 ? 577 THR B O 1 ATOM 2621 C CB . THR B 2 76 ? -67.966 30.218 -20.152 1.00 48.07 ? 577 THR B CB 1 ATOM 2622 O OG1 . THR B 2 76 ? -67.677 31.051 -19.020 1.00 48.51 ? 577 THR B OG1 1 ATOM 2623 C CG2 . THR B 2 76 ? -69.455 29.931 -20.211 1.00 48.98 ? 577 THR B CG2 1 ATOM 2624 N N . GLU B 2 77 ? -64.788 29.049 -19.415 1.00 46.03 ? 578 GLU B N 1 ATOM 2625 C CA . GLU B 2 77 ? -63.361 29.150 -19.726 1.00 45.45 ? 578 GLU B CA 1 ATOM 2626 C C . GLU B 2 77 ? -62.988 28.025 -20.665 1.00 43.84 ? 578 GLU B C 1 ATOM 2627 O O . GLU B 2 77 ? -63.421 26.892 -20.485 1.00 42.97 ? 578 GLU B O 1 ATOM 2628 C CB . GLU B 2 77 ? -62.481 29.048 -18.483 1.00 46.75 ? 578 GLU B CB 1 ATOM 2629 C CG . GLU B 2 77 ? -62.432 30.305 -17.653 1.00 49.32 ? 578 GLU B CG 1 ATOM 2630 C CD . GLU B 2 77 ? -61.302 30.297 -16.634 1.00 50.42 ? 578 GLU B CD 1 ATOM 2631 O OE1 . GLU B 2 77 ? -60.249 30.923 -16.905 1.00 51.14 ? 578 GLU B OE1 1 ATOM 2632 O OE2 . GLU B 2 77 ? -61.473 29.670 -15.569 1.00 51.20 ? 578 GLU B OE2 1 ATOM 2633 N N . LEU B 2 78 ? -62.167 28.344 -21.654 1.00 43.41 ? 579 LEU B N 1 ATOM 2634 C CA . LEU B 2 78 ? -61.754 27.367 -22.649 1.00 43.17 ? 579 LEU B CA 1 ATOM 2635 C C . LEU B 2 78 ? -60.679 26.487 -22.036 1.00 42.00 ? 579 LEU B C 1 ATOM 2636 O O . LEU B 2 78 ? -60.673 25.278 -22.259 1.00 42.29 ? 579 LEU B O 1 ATOM 2637 C CB . LEU B 2 78 ? -61.243 28.067 -23.916 1.00 44.03 ? 579 LEU B CB 1 ATOM 2638 C CG . LEU B 2 78 ? -62.193 29.085 -24.565 1.00 45.60 ? 579 LEU B CG 1 ATOM 2639 C CD1 . LEU B 2 78 ? -61.524 29.774 -25.747 1.00 46.43 ? 579 LEU B CD1 1 ATOM 2640 C CD2 . LEU B 2 78 ? -63.498 28.434 -25.002 1.00 46.38 ? 579 LEU B CD2 1 ATOM 2641 N N . ARG B 2 79 ? -59.785 27.102 -21.257 1.00 40.88 ? 580 ARG B N 1 ATOM 2642 C CA . ARG B 2 79 ? -58.732 26.399 -20.537 1.00 40.71 ? 580 ARG B CA 1 ATOM 2643 C C . ARG B 2 79 ? -58.766 26.756 -19.052 1.00 41.14 ? 580 ARG B C 1 ATOM 2644 O O . ARG B 2 79 ? -58.631 27.918 -18.688 1.00 41.40 ? 580 ARG B O 1 ATOM 2645 C CB . ARG B 2 79 ? -57.378 26.766 -21.116 1.00 41.04 ? 580 ARG B CB 1 ATOM 2646 C CG . ARG B 2 79 ? -57.354 26.702 -22.631 1.00 41.43 ? 580 ARG B CG 1 ATOM 2647 C CD . ARG B 2 79 ? -55.939 26.651 -23.149 1.00 41.50 ? 580 ARG B CD 1 ATOM 2648 N NE . ARG B 2 79 ? -55.916 26.822 -24.594 1.00 41.75 ? 580 ARG B NE 1 ATOM 2649 C CZ . ARG B 2 79 ? -54.817 26.896 -25.333 1.00 41.66 ? 580 ARG B CZ 1 ATOM 2650 N NH1 . ARG B 2 79 ? -53.605 26.827 -24.781 1.00 41.35 ? 580 ARG B NH1 1 ATOM 2651 N NH2 . ARG B 2 79 ? -54.937 27.046 -26.647 1.00 42.74 ? 580 ARG B NH2 1 ATOM 2652 N N . THR B 2 80 ? -58.929 25.744 -18.204 1.00 41.20 ? 581 THR B N 1 ATOM 2653 C CA . THR B 2 80 ? -59.068 25.931 -16.765 1.00 41.08 ? 581 THR B CA 1 ATOM 2654 C C . THR B 2 80 ? -57.748 25.661 -16.034 1.00 40.89 ? 581 THR B C 1 ATOM 2655 O O . THR B 2 80 ? -57.252 24.530 -16.041 1.00 39.81 ? 581 THR B O 1 ATOM 2656 C CB . THR B 2 80 ? -60.159 25.003 -16.211 1.00 41.50 ? 581 THR B CB 1 ATOM 2657 O OG1 . THR B 2 80 ? -61.423 25.396 -16.755 1.00 41.32 ? 581 THR B OG1 1 ATOM 2658 C CG2 . THR B 2 80 ? -60.225 25.092 -14.673 1.00 42.55 ? 581 THR B CG2 1 ATOM 2659 N N . PHE B 2 81 ? -57.226 26.712 -15.397 1.00 41.38 ? 582 PHE B N 1 ATOM 2660 C CA . PHE B 2 81 ? -55.986 26.693 -14.614 1.00 42.17 ? 582 PHE B CA 1 ATOM 2661 C C . PHE B 2 81 ? -56.175 26.949 -13.117 1.00 42.67 ? 582 PHE B C 1 ATOM 2662 O O . PHE B 2 81 ? -55.199 26.965 -12.381 1.00 43.35 ? 582 PHE B O 1 ATOM 2663 C CB . PHE B 2 81 ? -55.043 27.767 -15.148 1.00 42.53 ? 582 PHE B CB 1 ATOM 2664 C CG . PHE B 2 81 ? -54.493 27.452 -16.495 1.00 42.98 ? 582 PHE B CG 1 ATOM 2665 C CD1 . PHE B 2 81 ? -53.355 26.664 -16.618 1.00 42.77 ? 582 PHE B CD1 1 ATOM 2666 C CD2 . PHE B 2 81 ? -55.117 27.925 -17.646 1.00 43.01 ? 582 PHE B CD2 1 ATOM 2667 C CE1 . PHE B 2 81 ? -52.842 26.358 -17.862 1.00 43.23 ? 582 PHE B CE1 1 ATOM 2668 C CE2 . PHE B 2 81 ? -54.610 27.609 -18.905 1.00 43.19 ? 582 PHE B CE2 1 ATOM 2669 C CZ . PHE B 2 81 ? -53.471 26.823 -19.009 1.00 42.96 ? 582 PHE B CZ 1 ATOM 2670 N N . SER B 2 82 ? -57.412 27.127 -12.666 1.00 42.93 ? 583 SER B N 1 ATOM 2671 C CA . SER B 2 82 ? -57.695 27.710 -11.362 1.00 43.74 ? 583 SER B CA 1 ATOM 2672 C C . SER B 2 82 ? -58.242 26.734 -10.309 1.00 43.46 ? 583 SER B C 1 ATOM 2673 O O . SER B 2 82 ? -58.627 27.168 -9.219 1.00 43.54 ? 583 SER B O 1 ATOM 2674 C CB . SER B 2 82 ? -58.703 28.845 -11.560 1.00 44.63 ? 583 SER B CB 1 ATOM 2675 O OG . SER B 2 82 ? -59.911 28.329 -12.106 1.00 45.48 ? 583 SER B OG 1 ATOM 2676 N N . ILE B 2 83 ? -58.275 25.437 -10.608 1.00 42.56 ? 584 ILE B N 1 ATOM 2677 C CA . ILE B 2 83 ? -58.889 24.466 -9.692 1.00 43.04 ? 584 ILE B CA 1 ATOM 2678 C C . ILE B 2 83 ? -58.136 24.346 -8.363 1.00 43.98 ? 584 ILE B C 1 ATOM 2679 O O . ILE B 2 83 ? -58.757 24.312 -7.308 1.00 43.72 ? 584 ILE B O 1 ATOM 2680 C CB . ILE B 2 83 ? -59.056 23.082 -10.348 1.00 42.66 ? 584 ILE B CB 1 ATOM 2681 C CG1 . ILE B 2 83 ? -60.148 23.150 -11.421 1.00 42.04 ? 584 ILE B CG1 1 ATOM 2682 C CG2 . ILE B 2 83 ? -59.428 22.005 -9.321 1.00 43.13 ? 584 ILE B CG2 1 ATOM 2683 C CD1 . ILE B 2 83 ? -60.104 21.985 -12.391 1.00 41.79 ? 584 ILE B CD1 1 ATOM 2684 N N . LEU B 2 84 ? -56.810 24.294 -8.418 1.00 44.83 ? 585 LEU B N 1 ATOM 2685 C CA . LEU B 2 84 ? -56.010 24.178 -7.202 1.00 46.27 ? 585 LEU B CA 1 ATOM 2686 C C . LEU B 2 84 ? -56.005 25.457 -6.359 1.00 47.53 ? 585 LEU B C 1 ATOM 2687 O O . LEU B 2 84 ? -56.022 25.374 -5.129 1.00 47.65 ? 585 LEU B O 1 ATOM 2688 C CB . LEU B 2 84 ? -54.586 23.740 -7.529 1.00 46.37 ? 585 LEU B CB 1 ATOM 2689 C CG . LEU B 2 84 ? -54.482 22.325 -8.103 1.00 46.10 ? 585 LEU B CG 1 ATOM 2690 C CD1 . LEU B 2 84 ? -53.031 22.025 -8.456 1.00 46.31 ? 585 LEU B CD1 1 ATOM 2691 C CD2 . LEU B 2 84 ? -55.054 21.277 -7.151 1.00 46.50 ? 585 LEU B CD2 1 ATOM 2692 N N . ASN B 2 85 ? -55.990 26.625 -7.005 1.00 47.49 ? 586 ASN B N 1 ATOM 2693 C CA . ASN B 2 85 ? -56.105 27.888 -6.282 1.00 49.43 ? 586 ASN B CA 1 ATOM 2694 C C . ASN B 2 85 ? -57.469 28.022 -5.593 1.00 49.32 ? 586 ASN B C 1 ATOM 2695 O O . ASN B 2 85 ? -57.547 28.526 -4.476 1.00 48.34 ? 586 ASN B O 1 ATOM 2696 C CB . ASN B 2 85 ? -55.841 29.095 -7.196 1.00 50.90 ? 586 ASN B CB 1 ATOM 2697 C CG . ASN B 2 85 ? -54.359 29.305 -7.499 1.00 53.67 ? 586 ASN B CG 1 ATOM 2698 O OD1 . ASN B 2 85 ? -53.476 28.671 -6.909 1.00 56.04 ? 586 ASN B OD1 1 ATOM 2699 N ND2 . ASN B 2 85 ? -54.079 30.219 -8.428 1.00 55.37 ? 586 ASN B ND2 1 ATOM 2700 N N . ARG B 2 86 ? -58.526 27.551 -6.249 1.00 49.00 ? 587 ARG B N 1 ATOM 2701 C CA . ARG B 2 86 ? -59.864 27.577 -5.669 1.00 50.59 ? 587 ARG B CA 1 ATOM 2702 C C . ARG B 2 86 ? -59.981 26.611 -4.470 1.00 49.34 ? 587 ARG B C 1 ATOM 2703 O O . ARG B 2 86 ? -60.650 26.924 -3.494 1.00 48.22 ? 587 ARG B O 1 ATOM 2704 C CB . ARG B 2 86 ? -60.918 27.267 -6.734 1.00 53.39 ? 587 ARG B CB 1 ATOM 2705 C CG . ARG B 2 86 ? -62.326 27.715 -6.360 1.00 58.04 ? 587 ARG B CG 1 ATOM 2706 C CD . ARG B 2 86 ? -63.399 27.073 -7.234 1.00 61.64 ? 587 ARG B CD 1 ATOM 2707 N NE . ARG B 2 86 ? -64.687 26.993 -6.529 1.00 66.92 ? 587 ARG B NE 1 ATOM 2708 C CZ . ARG B 2 86 ? -65.690 26.149 -6.815 1.00 69.69 ? 587 ARG B CZ 1 ATOM 2709 N NH1 . ARG B 2 86 ? -65.604 25.262 -7.815 1.00 69.18 ? 587 ARG B NH1 1 ATOM 2710 N NH2 . ARG B 2 86 ? -66.808 26.192 -6.081 1.00 70.82 ? 587 ARG B NH2 1 ATOM 2711 N N . LYS B 2 87 ? -59.324 25.452 -4.551 1.00 47.97 ? 588 LYS B N 1 ATOM 2712 C CA . LYS B 2 87 ? -59.213 24.528 -3.407 1.00 47.97 ? 588 LYS B CA 1 ATOM 2713 C C . LYS B 2 87 ? -58.533 25.196 -2.210 1.00 46.77 ? 588 LYS B C 1 ATOM 2714 O O . LYS B 2 87 ? -59.007 25.059 -1.079 1.00 47.89 ? 588 LYS B O 1 ATOM 2715 C CB . LYS B 2 87 ? -58.406 23.273 -3.764 1.00 48.79 ? 588 LYS B CB 1 ATOM 2716 C CG . LYS B 2 87 ? -59.028 22.367 -4.807 1.00 49.15 ? 588 LYS B CG 1 ATOM 2717 C CD . LYS B 2 87 ? -60.153 21.543 -4.241 1.00 50.91 ? 588 LYS B CD 1 ATOM 2718 C CE . LYS B 2 87 ? -60.635 20.552 -5.285 1.00 51.09 ? 588 LYS B CE 1 ATOM 2719 N NZ . LYS B 2 87 ? -61.956 20.038 -4.856 1.00 52.24 ? 588 LYS B NZ 1 ATOM 2720 N N . ALA B 2 88 ? -57.431 25.905 -2.467 1.00 44.50 ? 589 ALA B N 1 ATOM 2721 C CA . ALA B 2 88 ? -56.692 26.624 -1.419 1.00 44.60 ? 589 ALA B CA 1 ATOM 2722 C C . ALA B 2 88 ? -57.549 27.677 -0.735 1.00 44.53 ? 589 ALA B C 1 ATOM 2723 O O . ALA B 2 88 ? -57.538 27.787 0.488 1.00 45.48 ? 589 ALA B O 1 ATOM 2724 C CB . ALA B 2 88 ? -55.434 27.263 -1.978 1.00 44.15 ? 589 ALA B CB 1 ATOM 2725 N N . ILE B 2 89 ? -58.305 28.428 -1.526 1.00 43.41 ? 590 ILE B N 1 ATOM 2726 C CA . ILE B 2 89 ? -59.213 29.443 -0.998 1.00 43.98 ? 590 ILE B CA 1 ATOM 2727 C C . ILE B 2 89 ? -60.305 28.804 -0.138 1.00 44.57 ? 590 ILE B C 1 ATOM 2728 O O . ILE B 2 89 ? -60.608 29.308 0.944 1.00 45.02 ? 590 ILE B O 1 ATOM 2729 C CB . ILE B 2 89 ? -59.837 30.305 -2.118 1.00 43.02 ? 590 ILE B CB 1 ATOM 2730 C CG1 . ILE B 2 89 ? -58.748 31.150 -2.791 1.00 43.10 ? 590 ILE B CG1 1 ATOM 2731 C CG2 . ILE B 2 89 ? -60.915 31.234 -1.558 1.00 43.75 ? 590 ILE B CG2 1 ATOM 2732 C CD1 . ILE B 2 89 ? -59.117 31.666 -4.167 1.00 42.11 ? 590 ILE B CD1 1 ATOM 2733 N N . ASP B 2 90 ? -60.876 27.705 -0.623 1.00 44.51 ? 591 ASP B N 1 ATOM 2734 C CA . ASP B 2 90 ? -61.901 26.967 0.116 1.00 46.15 ? 591 ASP B CA 1 ATOM 2735 C C . ASP B 2 90 ? -61.366 26.318 1.407 1.00 47.08 ? 591 ASP B C 1 ATOM 2736 O O . ASP B 2 90 ? -62.066 26.300 2.414 1.00 47.71 ? 591 ASP B O 1 ATOM 2737 C CB . ASP B 2 90 ? -62.579 25.924 -0.782 1.00 46.47 ? 591 ASP B CB 1 ATOM 2738 C CG . ASP B 2 90 ? -63.573 26.543 -1.774 1.00 46.98 ? 591 ASP B CG 1 ATOM 2739 O OD1 . ASP B 2 90 ? -63.938 27.724 -1.633 1.00 48.72 ? 591 ASP B OD1 1 ATOM 2740 O OD2 . ASP B 2 90 ? -64.007 25.840 -2.706 1.00 48.31 ? 591 ASP B OD2 1 ATOM 2741 N N . PHE B 2 91 ? -60.129 25.816 1.376 1.00 46.97 ? 592 PHE B N 1 ATOM 2742 C CA . PHE B 2 91 ? -59.443 25.361 2.592 1.00 47.80 ? 592 PHE B CA 1 ATOM 2743 C C . PHE B 2 91 ? -59.451 26.474 3.643 1.00 48.22 ? 592 PHE B C 1 ATOM 2744 O O . PHE B 2 91 ? -59.834 26.253 4.789 1.00 48.81 ? 592 PHE B O 1 ATOM 2745 C CB . PHE B 2 91 ? -58.005 24.934 2.273 1.00 48.23 ? 592 PHE B CB 1 ATOM 2746 C CG . PHE B 2 91 ? -57.265 24.353 3.447 1.00 50.58 ? 592 PHE B CG 1 ATOM 2747 C CD1 . PHE B 2 91 ? -56.660 25.181 4.392 1.00 52.03 ? 592 PHE B CD1 1 ATOM 2748 C CD2 . PHE B 2 91 ? -57.163 22.975 3.608 1.00 51.31 ? 592 PHE B CD2 1 ATOM 2749 C CE1 . PHE B 2 91 ? -55.982 24.648 5.478 1.00 53.76 ? 592 PHE B CE1 1 ATOM 2750 C CE2 . PHE B 2 91 ? -56.486 22.435 4.694 1.00 52.78 ? 592 PHE B CE2 1 ATOM 2751 C CZ . PHE B 2 91 ? -55.889 23.271 5.626 1.00 53.92 ? 592 PHE B CZ 1 ATOM 2752 N N . LEU B 2 92 ? -59.045 27.672 3.233 1.00 47.09 ? 593 LEU B N 1 ATOM 2753 C CA . LEU B 2 92 ? -58.998 28.825 4.130 1.00 47.67 ? 593 LEU B CA 1 ATOM 2754 C C . LEU B 2 92 ? -60.373 29.307 4.597 1.00 48.27 ? 593 LEU B C 1 ATOM 2755 O O . LEU B 2 92 ? -60.534 29.648 5.766 1.00 49.43 ? 593 LEU B O 1 ATOM 2756 C CB . LEU B 2 92 ? -58.216 29.976 3.483 1.00 46.97 ? 593 LEU B CB 1 ATOM 2757 C CG . LEU B 2 92 ? -56.704 29.747 3.380 1.00 46.87 ? 593 LEU B CG 1 ATOM 2758 C CD1 . LEU B 2 92 ? -56.064 30.670 2.354 1.00 45.96 ? 593 LEU B CD1 1 ATOM 2759 C CD2 . LEU B 2 92 ? -56.037 29.918 4.743 1.00 48.46 ? 593 LEU B CD2 1 ATOM 2760 N N . LEU B 2 93 ? -61.354 29.341 3.696 1.00 47.97 ? 594 LEU B N 1 ATOM 2761 C CA . LEU B 2 93 ? -62.712 29.797 4.050 1.00 49.12 ? 594 LEU B CA 1 ATOM 2762 C C . LEU B 2 93 ? -63.450 28.825 4.983 1.00 50.48 ? 594 LEU B C 1 ATOM 2763 O O . LEU B 2 93 ? -64.259 29.246 5.786 1.00 50.30 ? 594 LEU B O 1 ATOM 2764 C CB . LEU B 2 93 ? -63.567 30.049 2.797 1.00 47.53 ? 594 LEU B CB 1 ATOM 2765 C CG . LEU B 2 93 ? -63.235 31.247 1.909 1.00 46.87 ? 594 LEU B CG 1 ATOM 2766 C CD1 . LEU B 2 93 ? -64.098 31.201 0.654 1.00 45.87 ? 594 LEU B CD1 1 ATOM 2767 C CD2 . LEU B 2 93 ? -63.410 32.578 2.620 1.00 47.64 ? 594 LEU B CD2 1 ATOM 2768 N N . GLN B 2 94 ? -63.175 27.533 4.837 1.00 52.03 ? 595 GLN B N 1 ATOM 2769 C CA . GLN B 2 94 ? -63.709 26.499 5.719 1.00 55.05 ? 595 GLN B CA 1 ATOM 2770 C C . GLN B 2 94 ? -63.329 26.756 7.182 1.00 56.83 ? 595 GLN B C 1 ATOM 2771 O O . GLN B 2 94 ? -64.173 26.639 8.068 1.00 58.15 ? 595 GLN B O 1 ATOM 2772 C CB . GLN B 2 94 ? -63.204 25.128 5.256 1.00 56.64 ? 595 GLN B CB 1 ATOM 2773 C CG . GLN B 2 94 ? -63.724 23.934 6.043 1.00 59.61 ? 595 GLN B CG 1 ATOM 2774 C CD . GLN B 2 94 ? -63.403 22.591 5.392 1.00 60.86 ? 595 GLN B CD 1 ATOM 2775 O OE1 . GLN B 2 94 ? -64.022 21.582 5.722 1.00 63.21 ? 595 GLN B OE1 1 ATOM 2776 N NE2 . GLN B 2 94 ? -62.436 22.569 4.469 1.00 61.13 ? 595 GLN B NE2 1 ATOM 2777 N N . ARG B 2 95 ? -62.075 27.151 7.408 1.00 57.24 ? 596 ARG B N 1 ATOM 2778 C CA . ARG B 2 95 ? -61.533 27.397 8.750 1.00 59.26 ? 596 ARG B CA 1 ATOM 2779 C C . ARG B 2 95 ? -61.708 28.823 9.251 1.00 59.71 ? 596 ARG B C 1 ATOM 2780 O O . ARG B 2 95 ? -62.055 29.029 10.412 1.00 60.60 ? 596 ARG B O 1 ATOM 2781 C CB . ARG B 2 95 ? -60.046 27.037 8.784 1.00 59.94 ? 596 ARG B CB 1 ATOM 2782 C CG . ARG B 2 95 ? -59.819 25.545 8.671 1.00 60.75 ? 596 ARG B CG 1 ATOM 2783 C CD . ARG B 2 95 ? -58.395 25.182 8.312 1.00 61.31 ? 596 ARG B CD 1 ATOM 2784 N NE . ARG B 2 95 ? -58.266 23.739 8.147 1.00 62.04 ? 596 ARG B NE 1 ATOM 2785 C CZ . ARG B 2 95 ? -58.682 23.039 7.087 1.00 62.22 ? 596 ARG B CZ 1 ATOM 2786 N NH1 . ARG B 2 95 ? -59.263 23.628 6.037 1.00 61.28 ? 596 ARG B NH1 1 ATOM 2787 N NH2 . ARG B 2 95 ? -58.501 21.717 7.066 1.00 62.94 ? 596 ARG B NH2 1 ATOM 2788 N N . TRP B 2 96 ? -61.454 29.797 8.377 1.00 58.55 ? 597 TRP B N 1 ATOM 2789 C CA . TRP B 2 96 ? -61.351 31.207 8.772 1.00 59.06 ? 597 TRP B CA 1 ATOM 2790 C C . TRP B 2 96 ? -62.435 32.112 8.163 1.00 58.77 ? 597 TRP B C 1 ATOM 2791 O O . TRP B 2 96 ? -62.372 33.333 8.300 1.00 58.76 ? 597 TRP B O 1 ATOM 2792 C CB . TRP B 2 96 ? -59.945 31.707 8.422 1.00 58.48 ? 597 TRP B CB 1 ATOM 2793 C CG . TRP B 2 96 ? -58.880 30.773 8.929 1.00 58.79 ? 597 TRP B CG 1 ATOM 2794 C CD1 . TRP B 2 96 ? -58.148 29.894 8.193 1.00 57.70 ? 597 TRP B CD1 1 ATOM 2795 C CD2 . TRP B 2 96 ? -58.468 30.596 10.292 1.00 60.39 ? 597 TRP B CD2 1 ATOM 2796 N NE1 . TRP B 2 96 ? -57.293 29.186 9.004 1.00 58.68 ? 597 TRP B NE1 1 ATOM 2797 C CE2 . TRP B 2 96 ? -57.467 29.598 10.298 1.00 60.32 ? 597 TRP B CE2 1 ATOM 2798 C CE3 . TRP B 2 96 ? -58.844 31.185 11.508 1.00 62.17 ? 597 TRP B CE3 1 ATOM 2799 C CZ2 . TRP B 2 96 ? -56.830 29.177 11.474 1.00 62.07 ? 597 TRP B CZ2 1 ATOM 2800 C CZ3 . TRP B 2 96 ? -58.206 30.769 12.684 1.00 63.86 ? 597 TRP B CZ3 1 ATOM 2801 C CH2 . TRP B 2 96 ? -57.212 29.772 12.655 1.00 63.82 ? 597 TRP B CH2 1 ATOM 2802 N N . GLY B 2 97 ? -63.441 31.506 7.529 1.00 58.62 ? 598 GLY B N 1 ATOM 2803 C CA . GLY B 2 97 ? -64.530 32.240 6.892 1.00 58.77 ? 598 GLY B CA 1 ATOM 2804 C C . GLY B 2 97 ? -65.545 32.864 7.831 1.00 61.06 ? 598 GLY B C 1 ATOM 2805 O O . GLY B 2 97 ? -66.325 33.711 7.408 1.00 60.96 ? 598 GLY B O 1 ATOM 2806 N N . GLY B 2 98 ? -65.556 32.432 9.091 1.00 63.39 ? 599 GLY B N 1 ATOM 2807 C CA . GLY B 2 98 ? -66.402 33.038 10.122 1.00 66.26 ? 599 GLY B CA 1 ATOM 2808 C C . GLY B 2 98 ? -65.616 33.351 11.378 1.00 68.59 ? 599 GLY B C 1 ATOM 2809 O O . GLY B 2 98 ? -64.386 33.251 11.402 1.00 69.22 ? 599 GLY B O 1 ATOM 2810 N N . THR B 2 99 ? -66.335 33.742 12.423 1.00 71.37 ? 600 THR B N 1 ATOM 2811 C CA . THR B 2 99 ? -65.739 33.966 13.738 1.00 73.71 ? 600 THR B CA 1 ATOM 2812 C C . THR B 2 99 ? -65.221 32.629 14.281 1.00 74.42 ? 600 THR B C 1 ATOM 2813 O O . THR B 2 99 ? -65.927 31.621 14.238 1.00 73.52 ? 600 THR B O 1 ATOM 2814 C CB . THR B 2 99 ? -66.756 34.599 14.716 1.00 75.57 ? 600 THR B CB 1 ATOM 2815 O OG1 . THR B 2 99 ? -67.169 35.876 14.213 1.00 75.31 ? 600 THR B OG1 1 ATOM 2816 C CG2 . THR B 2 99 ? -66.155 34.784 16.117 1.00 77.74 ? 600 THR B CG2 1 ATOM 2817 N N . CYS B 2 100 ? -63.979 32.627 14.756 1.00 76.21 ? 601 CYS B N 1 ATOM 2818 C CA . CYS B 2 100 ? -63.365 31.424 15.302 1.00 78.46 ? 601 CYS B CA 1 ATOM 2819 C C . CYS B 2 100 ? -63.701 31.365 16.801 1.00 81.01 ? 601 CYS B C 1 ATOM 2820 O O . CYS B 2 100 ? -63.212 32.186 17.580 1.00 81.76 ? 601 CYS B O 1 ATOM 2821 C CB . CYS B 2 100 ? -61.847 31.433 15.046 1.00 79.47 ? 601 CYS B CB 1 ATOM 2822 S SG . CYS B 2 100 ? -61.125 29.798 14.733 1.00 81.42 ? 601 CYS B SG 1 ATOM 2823 N N . HIS B 2 101 ? -64.571 30.425 17.181 1.00 82.09 ? 602 HIS B N 1 ATOM 2824 C CA . HIS B 2 101 ? -64.961 30.209 18.587 1.00 84.86 ? 602 HIS B CA 1 ATOM 2825 C C . HIS B 2 101 ? -64.019 29.187 19.209 1.00 85.64 ? 602 HIS B C 1 ATOM 2826 O O . HIS B 2 101 ? -64.048 28.012 18.835 1.00 84.41 ? 602 HIS B O 1 ATOM 2827 C CB . HIS B 2 101 ? -66.407 29.708 18.687 1.00 85.28 ? 602 HIS B CB 1 ATOM 2828 C CG . HIS B 2 101 ? -67.420 30.687 18.182 1.00 85.30 ? 602 HIS B CG 1 ATOM 2829 N ND1 . HIS B 2 101 ? -68.098 31.554 19.013 1.00 86.89 ? 602 HIS B ND1 1 ATOM 2830 C CD2 . HIS B 2 101 ? -67.865 30.943 16.928 1.00 83.93 ? 602 HIS B CD2 1 ATOM 2831 C CE1 . HIS B 2 101 ? -68.919 32.299 18.294 1.00 86.27 ? 602 HIS B CE1 1 ATOM 2832 N NE2 . HIS B 2 101 ? -68.795 31.950 17.026 1.00 84.82 ? 602 HIS B NE2 1 ATOM 2833 N N . ILE B 2 102 ? -63.197 29.633 20.159 1.00 87.69 ? 603 ILE B N 1 ATOM 2834 C CA . ILE B 2 102 ? -62.133 28.793 20.728 1.00 89.99 ? 603 ILE B CA 1 ATOM 2835 C C . ILE B 2 102 ? -62.745 27.631 21.532 1.00 92.45 ? 603 ILE B C 1 ATOM 2836 O O . ILE B 2 102 ? -63.758 27.808 22.216 1.00 93.88 ? 603 ILE B O 1 ATOM 2837 C CB . ILE B 2 102 ? -61.137 29.613 21.593 1.00 91.75 ? 603 ILE B CB 1 ATOM 2838 C CG1 . ILE B 2 102 ? -60.456 30.708 20.753 1.00 90.48 ? 603 ILE B CG1 1 ATOM 2839 C CG2 . ILE B 2 102 ? -60.065 28.708 22.201 1.00 92.92 ? 603 ILE B CG2 1 ATOM 2840 C CD1 . ILE B 2 102 ? -59.703 31.742 21.568 1.00 92.28 ? 603 ILE B CD1 1 ATOM 2841 N N . LEU B 2 103 ? -62.120 26.456 21.405 1.00 93.69 ? 604 LEU B N 1 ATOM 2842 C CA . LEU B 2 103 ? -62.610 25.155 21.909 1.00 96.20 ? 604 LEU B CA 1 ATOM 2843 C C . LEU B 2 103 ? -63.736 24.508 21.089 1.00 96.79 ? 604 LEU B C 1 ATOM 2844 O O . LEU B 2 103 ? -64.115 23.371 21.380 1.00 99.01 ? 604 LEU B O 1 ATOM 2845 C CB . LEU B 2 103 ? -63.011 25.194 23.392 1.00 99.02 ? 604 LEU B CB 1 ATOM 2846 C CG . LEU B 2 103 ? -62.021 25.757 24.416 1.00 100.67 ? 604 LEU B CG 1 ATOM 2847 C CD1 . LEU B 2 103 ? -62.604 25.582 25.814 1.00 103.29 ? 604 LEU B CD1 1 ATOM 2848 C CD2 . LEU B 2 103 ? -60.658 25.085 24.297 1.00 100.35 ? 604 LEU B CD2 1 ATOM 2849 N N . GLY B 2 104 ? -64.258 25.195 20.072 1.00 96.50 ? 605 GLY B N 1 ATOM 2850 C CA . GLY B 2 104 ? -65.246 24.604 19.171 1.00 95.95 ? 605 GLY B CA 1 ATOM 2851 C C . GLY B 2 104 ? -64.589 23.625 18.210 1.00 95.58 ? 605 GLY B C 1 ATOM 2852 O O . GLY B 2 104 ? -63.377 23.704 17.980 1.00 94.92 ? 605 GLY B O 1 ATOM 2853 N N . PRO B 2 105 ? -65.382 22.703 17.629 1.00 96.00 ? 606 PRO B N 1 ATOM 2854 C CA . PRO B 2 105 ? -64.843 21.702 16.701 1.00 95.02 ? 606 PRO B CA 1 ATOM 2855 C C . PRO B 2 105 ? -64.466 22.244 15.315 1.00 93.01 ? 606 PRO B C 1 ATOM 2856 O O . PRO B 2 105 ? -63.793 21.540 14.558 1.00 92.13 ? 606 PRO B O 1 ATOM 2857 C CB . PRO B 2 105 ? -65.990 20.697 16.578 1.00 95.36 ? 606 PRO B CB 1 ATOM 2858 C CG . PRO B 2 105 ? -67.213 21.526 16.752 1.00 95.69 ? 606 PRO B CG 1 ATOM 2859 C CD . PRO B 2 105 ? -66.851 22.604 17.739 1.00 96.67 ? 606 PRO B CD 1 ATOM 2860 N N . ASP B 2 106 ? -64.907 23.463 14.985 1.00 92.53 ? 607 ASP B N 1 ATOM 2861 C CA . ASP B 2 106 ? -64.596 24.097 13.698 1.00 90.55 ? 607 ASP B CA 1 ATOM 2862 C C . ASP B 2 106 ? -63.591 25.262 13.792 1.00 88.61 ? 607 ASP B C 1 ATOM 2863 O O . ASP B 2 106 ? -63.295 25.892 12.773 1.00 87.11 ? 607 ASP B O 1 ATOM 2864 C CB . ASP B 2 106 ? -65.900 24.553 13.022 1.00 91.07 ? 607 ASP B CB 1 ATOM 2865 C CG . ASP B 2 106 ? -66.764 23.377 12.563 1.00 91.90 ? 607 ASP B CG 1 ATOM 2866 O OD1 . ASP B 2 106 ? -66.266 22.535 11.783 1.00 91.70 ? 607 ASP B OD1 1 ATOM 2867 O OD2 . ASP B 2 106 ? -67.942 23.295 12.976 1.00 93.51 ? 607 ASP B OD2 1 ATOM 2868 N N . CYS B 2 107 ? -63.063 25.543 14.988 1.00 87.75 ? 608 CYS B N 1 ATOM 2869 C CA . CYS B 2 107 ? -62.003 26.545 15.159 1.00 86.16 ? 608 CYS B CA 1 ATOM 2870 C C . CYS B 2 107 ? -60.657 25.862 15.402 1.00 86.37 ? 608 CYS B C 1 ATOM 2871 O O . CYS B 2 107 ? -60.497 25.135 16.385 1.00 88.18 ? 608 CYS B O 1 ATOM 2872 C CB . CYS B 2 107 ? -62.331 27.485 16.322 1.00 86.71 ? 608 CYS B CB 1 ATOM 2873 S SG . CYS B 2 107 ? -61.186 28.874 16.561 1.00 85.94 ? 608 CYS B SG 1 ATOM 2874 N N . CYS B 2 108 ? -59.691 26.125 14.519 1.00 84.60 ? 609 CYS B N 1 ATOM 2875 C CA . CYS B 2 108 ? -58.353 25.531 14.591 1.00 84.88 ? 609 CYS B CA 1 ATOM 2876 C C . CYS B 2 108 ? -57.367 26.448 15.330 1.00 86.39 ? 609 CYS B C 1 ATOM 2877 O O . CYS B 2 108 ? -56.305 26.794 14.804 1.00 85.74 ? 609 CYS B O 1 ATOM 2878 C CB . CYS B 2 108 ? -57.843 25.215 13.176 1.00 83.36 ? 609 CYS B CB 1 ATOM 2879 S SG . CYS B 2 108 ? -58.966 24.222 12.157 1.00 81.81 ? 609 CYS B SG 1 ATOM 2880 N N . ILE B 2 109 ? -57.731 26.834 16.552 1.00 88.27 ? 610 ILE B N 1 ATOM 2881 C CA . ILE B 2 109 ? -56.854 27.590 17.442 1.00 90.90 ? 610 ILE B CA 1 ATOM 2882 C C . ILE B 2 109 ? -56.572 26.688 18.641 1.00 94.14 ? 610 ILE B C 1 ATOM 2883 O O . ILE B 2 109 ? -57.506 26.206 19.283 1.00 95.53 ? 610 ILE B O 1 ATOM 2884 C CB . ILE B 2 109 ? -57.501 28.920 17.900 1.00 90.86 ? 610 ILE B CB 1 ATOM 2885 C CG1 . ILE B 2 109 ? -57.681 29.857 16.695 1.00 88.63 ? 610 ILE B CG1 1 ATOM 2886 C CG2 . ILE B 2 109 ? -56.658 29.590 18.986 1.00 92.50 ? 610 ILE B CG2 1 ATOM 2887 C CD1 . ILE B 2 109 ? -58.473 31.116 16.982 1.00 89.05 ? 610 ILE B CD1 1 ATOM 2888 N N . GLU B 2 110 ? -55.288 26.463 18.921 1.00 96.22 ? 611 GLU B N 1 ATOM 2889 C CA . GLU B 2 110 ? -54.845 25.667 20.066 1.00 99.39 ? 611 GLU B CA 1 ATOM 2890 C C . GLU B 2 110 ? -54.350 26.606 21.182 1.00 102.40 ? 611 GLU B C 1 ATOM 2891 O O . GLU B 2 110 ? -53.339 27.288 20.995 1.00 101.36 ? 611 GLU B O 1 ATOM 2892 C CB . GLU B 2 110 ? -53.732 24.703 19.625 1.00 99.22 ? 611 GLU B CB 1 ATOM 2893 C CG . GLU B 2 110 ? -53.192 23.775 20.710 1.00 102.03 ? 611 GLU B CG 1 ATOM 2894 C CD . GLU B 2 110 ? -54.279 22.973 21.402 1.00 102.99 ? 611 GLU B CD 1 ATOM 2895 O OE1 . GLU B 2 110 ? -54.720 21.954 20.826 1.00 102.35 ? 611 GLU B OE1 1 ATOM 2896 O OE2 . GLU B 2 110 ? -54.697 23.364 22.514 1.00 103.98 ? 611 GLU B OE2 1 ATOM 2897 N N . PRO B 2 111 ? -55.069 26.661 22.332 1.00 106.15 ? 612 PRO B N 1 ATOM 2898 C CA . PRO B 2 111 ? -54.612 27.428 23.493 1.00 110.28 ? 612 PRO B CA 1 ATOM 2899 C C . PRO B 2 111 ? -54.003 26.574 24.626 1.00 115.30 ? 612 PRO B C 1 ATOM 2900 O O . PRO B 2 111 ? -54.024 27.001 25.781 1.00 118.36 ? 612 PRO B O 1 ATOM 2901 C CB . PRO B 2 111 ? -55.908 28.098 23.957 1.00 109.73 ? 612 PRO B CB 1 ATOM 2902 C CG . PRO B 2 111 ? -56.943 27.053 23.706 1.00 108.26 ? 612 PRO B CG 1 ATOM 2903 C CD . PRO B 2 111 ? -56.471 26.236 22.524 1.00 106.04 ? 612 PRO B CD 1 ATOM 2904 N N . HIS B 2 112 ? -53.450 25.400 24.305 1.00 118.48 ? 613 HIS B N 1 ATOM 2905 C CA . HIS B 2 112 ? -52.873 24.496 25.321 1.00 123.92 ? 613 HIS B CA 1 ATOM 2906 C C . HIS B 2 112 ? -51.661 25.111 26.017 1.00 127.75 ? 613 HIS B C 1 ATOM 2907 O O . HIS B 2 112 ? -51.566 25.084 27.244 1.00 130.36 ? 613 HIS B O 1 ATOM 2908 C CB . HIS B 2 112 ? -52.489 23.135 24.712 1.00 124.31 ? 613 HIS B CB 1 ATOM 2909 C CG . HIS B 2 112 ? -51.671 22.269 25.623 1.00 128.05 ? 613 HIS B CG 1 ATOM 2910 N ND1 . HIS B 2 112 ? -50.323 22.049 25.430 1.00 128.77 ? 613 HIS B ND1 1 ATOM 2911 C CD2 . HIS B 2 112 ? -52.009 21.579 26.740 1.00 130.23 ? 613 HIS B CD2 1 ATOM 2912 C CE1 . HIS B 2 112 ? -49.867 21.257 26.384 1.00 131.24 ? 613 HIS B CE1 1 ATOM 2913 N NE2 . HIS B 2 112 ? -50.870 20.957 27.192 1.00 132.10 ? 613 HIS B NE2 1 ATOM 2914 N N . ASP B 2 113 ? -50.736 25.650 25.228 1.00 128.79 ? 614 ASP B N 1 ATOM 2915 C CA . ASP B 2 113 ? -49.592 26.387 25.768 1.00 132.58 ? 614 ASP B CA 1 ATOM 2916 C C . ASP B 2 113 ? -50.053 27.699 26.419 1.00 134.95 ? 614 ASP B C 1 ATOM 2917 O O . ASP B 2 113 ? -49.441 28.163 27.382 1.00 137.48 ? 614 ASP B O 1 ATOM 2918 C CB . ASP B 2 113 ? -48.558 26.654 24.663 1.00 131.82 ? 614 ASP B CB 1 ATOM 2919 C CG . ASP B 2 113 ? -47.236 27.195 25.196 1.00 134.56 ? 614 ASP B CG 1 ATOM 2920 O OD1 . ASP B 2 113 ? -46.516 27.843 24.410 1.00 134.79 ? 614 ASP B OD1 1 ATOM 2921 O OD2 . ASP B 2 113 ? -46.903 26.978 26.382 1.00 138.40 ? 614 ASP B OD2 1 ATOM 2922 N N . TRP B 2 114 ? -51.130 28.284 25.889 1.00 135.43 ? 615 TRP B N 1 ATOM 2923 C CA . TRP B 2 114 ? -51.762 29.461 26.492 1.00 138.84 ? 615 TRP B CA 1 ATOM 2924 C C . TRP B 2 114 ? -52.386 29.180 27.870 1.00 142.69 ? 615 TRP B C 1 ATOM 2925 O O . TRP B 2 114 ? -52.434 30.079 28.712 1.00 143.14 ? 615 TRP B O 1 ATOM 2926 C CB . TRP B 2 114 ? -52.797 30.081 25.533 1.00 137.53 ? 615 TRP B CB 1 ATOM 2927 C CG . TRP B 2 114 ? -53.403 31.364 26.035 1.00 139.98 ? 615 TRP B CG 1 ATOM 2928 C CD1 . TRP B 2 114 ? -54.732 31.644 26.191 1.00 140.49 ? 615 TRP B CD1 1 ATOM 2929 C CD2 . TRP B 2 114 ? -52.695 32.528 26.471 1.00 142.26 ? 615 TRP B CD2 1 ATOM 2930 N NE1 . TRP B 2 114 ? -54.894 32.917 26.688 1.00 141.94 ? 615 TRP B NE1 1 ATOM 2931 C CE2 . TRP B 2 114 ? -53.658 33.482 26.869 1.00 142.88 ? 615 TRP B CE2 1 ATOM 2932 C CE3 . TRP B 2 114 ? -51.337 32.863 26.558 1.00 144.00 ? 615 TRP B CE3 1 ATOM 2933 C CZ2 . TRP B 2 114 ? -53.302 34.748 27.348 1.00 144.82 ? 615 TRP B CZ2 1 ATOM 2934 C CZ3 . TRP B 2 114 ? -50.985 34.116 27.035 1.00 145.90 ? 615 TRP B CZ3 1 ATOM 2935 C CH2 . TRP B 2 114 ? -51.961 35.041 27.421 1.00 146.14 ? 615 TRP B CH2 1 ATOM 2936 N N . THR B 2 115 ? -52.855 27.950 28.099 1.00 145.57 ? 616 THR B N 1 ATOM 2937 C CA . THR B 2 115 ? -53.273 27.526 29.446 1.00 151.43 ? 616 THR B CA 1 ATOM 2938 C C . THR B 2 115 ? -52.064 27.437 30.371 1.00 156.53 ? 616 THR B C 1 ATOM 2939 O O . THR B 2 115 ? -52.114 27.923 31.496 1.00 158.35 ? 616 THR B O 1 ATOM 2940 C CB . THR B 2 115 ? -53.998 26.157 29.482 1.00 151.37 ? 616 THR B CB 1 ATOM 2941 O OG1 . THR B 2 115 ? -53.083 25.098 29.172 1.00 152.41 ? 616 THR B OG1 1 ATOM 2942 C CG2 . THR B 2 115 ? -55.168 26.116 28.524 1.00 148.19 ? 616 THR B CG2 1 ATOM 2943 N N . LYS B 2 116 ? -50.981 26.827 29.882 1.00 159.65 ? 617 LYS B N 1 ATOM 2944 C CA . LYS B 2 116 ? -49.733 26.700 30.648 1.00 165.03 ? 617 LYS B CA 1 ATOM 2945 C C . LYS B 2 116 ? -49.097 28.053 31.014 1.00 169.81 ? 617 LYS B C 1 ATOM 2946 O O . LYS B 2 116 ? -48.357 28.135 31.990 1.00 172.54 ? 617 LYS B O 1 ATOM 2947 C CB . LYS B 2 116 ? -48.724 25.799 29.908 1.00 163.91 ? 617 LYS B CB 1 ATOM 2948 C CG . LYS B 2 116 ? -47.443 25.449 30.672 1.00 166.41 ? 617 LYS B CG 1 ATOM 2949 C CD . LYS B 2 116 ? -47.703 24.854 32.053 1.00 169.28 ? 617 LYS B CD 1 ATOM 2950 C CE . LYS B 2 116 ? -46.423 24.352 32.708 1.00 171.62 ? 617 LYS B CE 1 ATOM 2951 N NZ . LYS B 2 116 ? -45.409 25.427 32.911 1.00 172.79 ? 617 LYS B NZ 1 ATOM 2952 N N . ASN B 2 117 ? -49.385 29.100 30.238 1.00 172.67 ? 618 ASN B N 1 ATOM 2953 C CA . ASN B 2 117 ? -48.960 30.464 30.581 1.00 177.99 ? 618 ASN B CA 1 ATOM 2954 C C . ASN B 2 117 ? -49.730 31.032 31.778 1.00 178.03 ? 618 ASN B C 1 ATOM 2955 O O . ASN B 2 117 ? -49.142 31.714 32.618 1.00 179.92 ? 618 ASN B O 1 ATOM 2956 C CB . ASN B 2 117 ? -49.110 31.408 29.376 1.00 180.33 ? 618 ASN B CB 1 ATOM 2957 C CG . ASN B 2 117 ? -48.285 32.675 29.522 1.00 187.56 ? 618 ASN B CG 1 ATOM 2958 O OD1 . ASN B 2 117 ? -48.828 33.776 29.620 1.00 187.27 ? 618 ASN B OD1 1 ATOM 2959 N ND2 . ASN B 2 117 ? -46.959 32.512 29.538 1.00 195.55 ? 618 ASN B ND2 1 ATOM 2960 N N . ILE B 2 118 ? -51.034 30.751 31.839 1.00 175.56 ? 619 ILE B N 1 ATOM 2961 C CA . ILE B 2 118 ? -51.920 31.261 32.897 1.00 176.79 ? 619 ILE B CA 1 ATOM 2962 C C . ILE B 2 118 ? -52.120 30.272 34.063 1.00 178.98 ? 619 ILE B C 1 ATOM 2963 O O . ILE B 2 118 ? -52.407 30.703 35.184 1.00 180.59 ? 619 ILE B O 1 ATOM 2964 C CB . ILE B 2 118 ? -53.288 31.710 32.310 1.00 173.99 ? 619 ILE B CB 1 ATOM 2965 C CG1 . ILE B 2 118 ? -53.087 32.643 31.099 1.00 171.47 ? 619 ILE B CG1 1 ATOM 2966 C CG2 . ILE B 2 118 ? -54.151 32.398 33.367 1.00 176.01 ? 619 ILE B CG2 1 ATOM 2967 C CD1 . ILE B 2 118 ? -52.196 33.847 31.347 1.00 172.66 ? 619 ILE B CD1 1 ATOM 2968 N N . THR B 2 119 ? -51.951 28.968 33.817 1.00 178.65 ? 620 THR B N 1 ATOM 2969 C CA . THR B 2 119 ? -52.014 27.950 34.885 1.00 181.23 ? 620 THR B CA 1 ATOM 2970 C C . THR B 2 119 ? -50.708 27.899 35.696 1.00 184.97 ? 620 THR B C 1 ATOM 2971 O O . THR B 2 119 ? -50.720 27.512 36.863 1.00 188.12 ? 620 THR B O 1 ATOM 2972 C CB . THR B 2 119 ? -52.410 26.540 34.358 1.00 178.98 ? 620 THR B CB 1 ATOM 2973 O OG1 . THR B 2 119 ? -53.105 25.823 35.386 1.00 181.44 ? 620 THR B OG1 1 ATOM 2974 C CG2 . THR B 2 119 ? -51.203 25.707 33.905 1.00 178.16 ? 620 THR B CG2 1 ATOM 2975 N N . ASP B 2 120 ? -49.593 28.266 35.060 1.00 185.34 ? 621 ASP B N 1 ATOM 2976 C CA . ASP B 2 120 ? -48.344 28.585 35.763 1.00 188.80 ? 621 ASP B CA 1 ATOM 2977 C C . ASP B 2 120 ? -48.523 29.889 36.561 1.00 191.11 ? 621 ASP B C 1 ATOM 2978 O O . ASP B 2 120 ? -47.965 30.040 37.650 1.00 195.02 ? 621 ASP B O 1 ATOM 2979 C CB . ASP B 2 120 ? -47.189 28.706 34.751 1.00 187.39 ? 621 ASP B CB 1 ATOM 2980 C CG . ASP B 2 120 ? -45.834 28.967 35.400 1.00 190.90 ? 621 ASP B CG 1 ATOM 2981 O OD1 . ASP B 2 120 ? -45.599 28.528 36.548 1.00 194.48 ? 621 ASP B OD1 1 ATOM 2982 O OD2 . ASP B 2 120 ? -44.987 29.605 34.736 1.00 189.87 ? 621 ASP B OD2 1 ATOM 2983 N N . LYS B 2 121 ? -49.310 30.813 36.005 1.00 189.12 ? 622 LYS B N 1 ATOM 2984 C CA . LYS B 2 121 ? -49.677 32.079 36.666 1.00 190.43 ? 622 LYS B CA 1 ATOM 2985 C C . LYS B 2 121 ? -50.832 32.013 37.694 1.00 192.59 ? 622 LYS B C 1 ATOM 2986 O O . LYS B 2 121 ? -51.278 33.068 38.161 1.00 193.59 ? 622 LYS B O 1 ATOM 2987 C CB . LYS B 2 121 ? -49.971 33.171 35.605 1.00 187.62 ? 622 LYS B CB 1 ATOM 2988 C CG . LYS B 2 121 ? -48.906 34.249 35.438 1.00 187.99 ? 622 LYS B CG 1 ATOM 2989 C CD . LYS B 2 121 ? -47.492 33.696 35.304 1.00 188.37 ? 622 LYS B CD 1 ATOM 2990 C CE . LYS B 2 121 ? -46.551 34.716 34.677 1.00 187.78 ? 622 LYS B CE 1 ATOM 2991 N NZ . LYS B 2 121 ? -45.174 34.713 35.264 1.00 190.20 ? 622 LYS B NZ 1 ATOM 2992 N N . ILE B 2 122 ? -51.305 30.818 38.073 1.00 193.50 ? 623 ILE B N 1 ATOM 2993 C CA . ILE B 2 122 ? -52.199 30.701 39.248 1.00 195.92 ? 623 ILE B CA 1 ATOM 2994 C C . ILE B 2 122 ? -51.410 31.051 40.515 1.00 199.86 ? 623 ILE B C 1 ATOM 2995 O O . ILE B 2 122 ? -51.901 31.788 41.368 1.00 202.59 ? 623 ILE B O 1 ATOM 2996 C CB . ILE B 2 122 ? -52.917 29.317 39.392 1.00 195.66 ? 623 ILE B CB 1 ATOM 2997 C CG1 . ILE B 2 122 ? -51.968 28.196 39.875 1.00 197.22 ? 623 ILE B CG1 1 ATOM 2998 C CG2 . ILE B 2 122 ? -53.652 28.946 38.103 1.00 191.89 ? 623 ILE B CG2 1 ATOM 2999 C CD1 . ILE B 2 122 ? -52.599 26.818 39.938 1.00 196.57 ? 623 ILE B CD1 1 ATOM 3000 N N . ASP B 2 123 ? -50.172 30.555 40.591 1.00 200.87 ? 624 ASP B N 1 ATOM 3001 C CA . ASP B 2 123 ? -49.276 30.787 41.732 1.00 205.01 ? 624 ASP B CA 1 ATOM 3002 C C . ASP B 2 123 ? -48.573 32.157 41.724 1.00 205.83 ? 624 ASP B C 1 ATOM 3003 O O . ASP B 2 123 ? -47.857 32.486 42.671 1.00 208.51 ? 624 ASP B O 1 ATOM 3004 C CB . ASP B 2 123 ? -48.233 29.660 41.814 1.00 205.73 ? 624 ASP B CB 1 ATOM 3005 C CG . ASP B 2 123 ? -48.836 28.338 42.259 1.00 205.88 ? 624 ASP B CG 1 ATOM 3006 O OD1 . ASP B 2 123 ? -49.338 28.267 43.402 1.00 207.34 ? 624 ASP B OD1 1 ATOM 3007 O OD2 . ASP B 2 123 ? -48.802 27.369 41.471 1.00 203.47 ? 624 ASP B OD2 1 ATOM 3008 N N . GLN B 2 124 ? -48.778 32.953 40.673 1.00 203.06 ? 625 GLN B N 1 ATOM 3009 C CA . GLN B 2 124 ? -48.216 34.306 40.596 1.00 203.63 ? 625 GLN B CA 1 ATOM 3010 C C . GLN B 2 124 ? -48.859 35.265 41.609 1.00 206.17 ? 625 GLN B C 1 ATOM 3011 O O . GLN B 2 124 ? -48.223 36.244 42.007 1.00 208.49 ? 625 GLN B O 1 ATOM 3012 C CB . GLN B 2 124 ? -48.346 34.867 39.167 1.00 199.80 ? 625 GLN B CB 1 ATOM 3013 C CG . GLN B 2 124 ? -47.399 36.016 38.836 1.00 199.92 ? 625 GLN B CG 1 ATOM 3014 C CD . GLN B 2 124 ? -45.944 35.580 38.760 1.00 200.69 ? 625 GLN B CD 1 ATOM 3015 O OE1 . GLN B 2 124 ? -45.591 34.689 37.988 1.00 198.83 ? 625 GLN B OE1 1 ATOM 3016 N NE2 . GLN B 2 124 ? -45.091 36.213 39.558 1.00 203.35 ? 625 GLN B NE2 1 ATOM 3017 N N . ILE B 2 125 ? -50.105 34.993 42.013 1.00 206.63 ? 626 ILE B N 1 ATOM 3018 C CA . ILE B 2 125 ? -50.781 35.783 43.062 1.00 209.74 ? 626 ILE B CA 1 ATOM 3019 C C . ILE B 2 125 ? -51.419 34.975 44.220 1.00 213.39 ? 626 ILE B C 1 ATOM 3020 O O . ILE B 2 125 ? -51.504 35.494 45.336 1.00 217.32 ? 626 ILE B O 1 ATOM 3021 C CB . ILE B 2 125 ? -51.799 36.782 42.428 1.00 206.76 ? 626 ILE B CB 1 ATOM 3022 C CG1 . ILE B 2 125 ? -51.909 38.069 43.265 1.00 208.91 ? 626 ILE B CG1 1 ATOM 3023 C CG2 . ILE B 2 125 ? -53.169 36.146 42.203 1.00 204.80 ? 626 ILE B CG2 1 ATOM 3024 C CD1 . ILE B 2 125 ? -50.762 39.040 43.065 1.00 209.16 ? 626 ILE B CD1 1 ATOM 3025 N N . ILE B 2 126 ? -51.857 33.732 43.977 1.00 212.78 ? 627 ILE B N 1 ATOM 3026 C CA . ILE B 2 126 ? -52.445 32.889 45.045 1.00 215.79 ? 627 ILE B CA 1 ATOM 3027 C C . ILE B 2 126 ? -51.388 32.278 45.987 1.00 219.34 ? 627 ILE B C 1 ATOM 3028 O O . ILE B 2 126 ? -51.658 32.082 47.175 1.00 222.03 ? 627 ILE B O 1 ATOM 3029 C CB . ILE B 2 126 ? -53.394 31.787 44.478 1.00 213.39 ? 627 ILE B CB 1 ATOM 3030 C CG1 . ILE B 2 126 ? -54.467 31.416 45.512 1.00 215.86 ? 627 ILE B CG1 1 ATOM 3031 C CG2 . ILE B 2 126 ? -52.643 30.530 44.037 1.00 212.20 ? 627 ILE B CG2 1 ATOM 3032 C CD1 . ILE B 2 126 ? -55.468 30.390 45.022 1.00 213.79 ? 627 ILE B CD1 1 ATOM 3033 N N . HIS B 2 127 ? -50.204 31.977 45.446 1.00 219.15 ? 628 HIS B N 1 ATOM 3034 C CA . HIS B 2 127 ? -49.065 31.462 46.230 1.00 222.32 ? 628 HIS B CA 1 ATOM 3035 C C . HIS B 2 127 ? -48.309 32.623 46.884 1.00 224.04 ? 628 HIS B C 1 ATOM 3036 O O . HIS B 2 127 ? -47.889 32.520 48.040 1.00 227.68 ? 628 HIS B O 1 ATOM 3037 C CB . HIS B 2 127 ? -48.150 30.571 45.355 1.00 221.10 ? 628 HIS B CB 1 ATOM 3038 C CG . HIS B 2 127 ? -46.680 30.742 45.606 1.00 223.53 ? 628 HIS B CG 1 ATOM 3039 N ND1 . HIS B 2 127 ? -46.047 30.228 46.718 1.00 227.29 ? 628 HIS B ND1 1 ATOM 3040 C CD2 . HIS B 2 127 ? -45.715 31.348 44.872 1.00 222.31 ? 628 HIS B CD2 1 ATOM 3041 C CE1 . HIS B 2 127 ? -44.759 30.522 46.665 1.00 228.35 ? 628 HIS B CE1 1 ATOM 3042 N NE2 . HIS B 2 127 ? -44.532 31.201 45.555 1.00 225.65 ? 628 HIS B NE2 1 ATOM 3043 N N . ASP B 2 128 ? -48.146 33.718 46.137 1.00 220.80 ? 629 ASP B N 1 ATOM 3044 C CA . ASP B 2 128 ? -47.604 34.970 46.666 1.00 221.37 ? 629 ASP B CA 1 ATOM 3045 C C . ASP B 2 128 ? -48.758 35.831 47.210 1.00 219.78 ? 629 ASP B C 1 ATOM 3046 O O . ASP B 2 128 ? -49.158 36.826 46.595 1.00 217.80 ? 629 ASP B O 1 ATOM 3047 C CB . ASP B 2 128 ? -46.804 35.700 45.570 1.00 219.47 ? 629 ASP B CB 1 ATOM 3048 C CG . ASP B 2 128 ? -46.075 36.940 46.081 1.00 222.67 ? 629 ASP B CG 1 ATOM 3049 O OD1 . ASP B 2 128 ? -45.563 36.927 47.226 1.00 226.89 ? 629 ASP B OD1 1 ATOM 3050 O OD2 . ASP B 2 128 ? -46.005 37.932 45.321 1.00 221.03 ? 629 ASP B OD2 1 ATOM 3051 N N . PHE B 2 129 ? -49.292 35.414 48.361 1.00 219.59 ? 630 PHE B N 1 ATOM 3052 C CA . PHE B 2 129 ? -50.365 36.126 49.068 1.00 218.43 ? 630 PHE B CA 1 ATOM 3053 C C . PHE B 2 129 ? -49.870 36.387 50.494 1.00 222.19 ? 630 PHE B C 1 ATOM 3054 O O . PHE B 2 129 ? -50.406 35.862 51.475 1.00 224.97 ? 630 PHE B O 1 ATOM 3055 C CB . PHE B 2 129 ? -51.666 35.303 49.038 1.00 215.99 ? 630 PHE B CB 1 ATOM 3056 C CG . PHE B 2 129 ? -52.906 36.098 49.366 1.00 215.14 ? 630 PHE B CG 1 ATOM 3057 C CD1 . PHE B 2 129 ? -53.537 36.864 48.387 1.00 211.21 ? 630 PHE B CD1 1 ATOM 3058 C CD2 . PHE B 2 129 ? -53.457 36.069 50.647 1.00 218.25 ? 630 PHE B CD2 1 ATOM 3059 C CE1 . PHE B 2 129 ? -54.683 37.593 48.682 1.00 211.15 ? 630 PHE B CE1 1 ATOM 3060 C CE2 . PHE B 2 129 ? -54.601 36.797 50.947 1.00 218.20 ? 630 PHE B CE2 1 ATOM 3061 C CZ . PHE B 2 129 ? -55.215 37.560 49.964 1.00 214.87 ? 630 PHE B CZ 1 ATOM 3062 N N . VAL B 2 130 ? -48.834 37.218 50.587 1.00 221.87 ? 631 VAL B N 1 ATOM 3063 C CA . VAL B 2 130 ? -48.096 37.429 51.835 1.00 225.37 ? 631 VAL B CA 1 ATOM 3064 C C . VAL B 2 130 ? -48.865 38.376 52.759 1.00 227.16 ? 631 VAL B C 1 ATOM 3065 O O . VAL B 2 130 ? -48.863 39.591 52.567 1.00 226.38 ? 631 VAL B O 1 ATOM 3066 C CB . VAL B 2 130 ? -46.669 37.975 51.565 1.00 225.60 ? 631 VAL B CB 1 ATOM 3067 C CG1 . VAL B 2 130 ? -45.915 38.207 52.874 1.00 230.29 ? 631 VAL B CG1 1 ATOM 3068 C CG2 . VAL B 2 130 ? -45.891 37.023 50.660 1.00 222.95 ? 631 VAL B CG2 1 HETATM 3069 C C1 . NAG C 3 . ? -38.815 -0.754 -40.554 1.00 63.25 ? 601 NAG A C1 1 HETATM 3070 C C2 . NAG C 3 . ? -38.635 0.362 -39.538 1.00 66.93 ? 601 NAG A C2 1 HETATM 3071 C C3 . NAG C 3 . ? -37.666 1.385 -40.113 1.00 68.38 ? 601 NAG A C3 1 HETATM 3072 C C4 . NAG C 3 . ? -36.335 0.696 -40.426 1.00 67.84 ? 601 NAG A C4 1 HETATM 3073 C C5 . NAG C 3 . ? -36.552 -0.555 -41.282 1.00 67.32 ? 601 NAG A C5 1 HETATM 3074 C C6 . NAG C 3 . ? -35.276 -1.361 -41.546 1.00 68.80 ? 601 NAG A C6 1 HETATM 3075 C C7 . NAG C 3 . ? -40.298 1.268 -37.962 1.00 70.11 ? 601 NAG A C7 1 HETATM 3076 C C8 . NAG C 3 . ? -41.685 1.830 -37.834 1.00 69.65 ? 601 NAG A C8 1 HETATM 3077 N N2 . NAG C 3 . ? -39.930 0.933 -39.204 1.00 69.55 ? 601 NAG A N2 1 HETATM 3078 O O3 . NAG C 3 . ? -37.485 2.451 -39.174 1.00 70.04 ? 601 NAG A O3 1 HETATM 3079 O O4 . NAG C 3 . ? -35.460 1.583 -41.129 1.00 69.42 ? 601 NAG A O4 1 HETATM 3080 O O5 . NAG C 3 . ? -37.543 -1.401 -40.680 1.00 65.47 ? 601 NAG A O5 1 HETATM 3081 O O6 . NAG C 3 . ? -34.326 -1.283 -40.476 1.00 70.23 ? 601 NAG A O6 1 HETATM 3082 O O7 . NAG C 3 . ? -39.574 1.142 -36.984 1.00 70.28 ? 601 NAG A O7 1 HETATM 3083 C C1 . NAG D 3 . ? -43.762 8.207 -48.464 1.00 79.79 ? 602 NAG A C1 1 HETATM 3084 C C2 . NAG D 3 . ? -42.447 8.898 -48.820 1.00 87.65 ? 602 NAG A C2 1 HETATM 3085 C C3 . NAG D 3 . ? -42.316 10.188 -48.015 1.00 89.16 ? 602 NAG A C3 1 HETATM 3086 C C4 . NAG D 3 . ? -43.514 11.096 -48.278 1.00 90.06 ? 602 NAG A C4 1 HETATM 3087 C C5 . NAG D 3 . ? -44.837 10.350 -48.082 1.00 90.08 ? 602 NAG A C5 1 HETATM 3088 C C6 . NAG D 3 . ? -46.008 11.204 -48.569 1.00 90.87 ? 602 NAG A C6 1 HETATM 3089 C C7 . NAG D 3 . ? -40.712 7.280 -49.487 1.00 93.92 ? 602 NAG A C7 1 HETATM 3090 C C8 . NAG D 3 . ? -39.555 6.459 -48.996 1.00 94.72 ? 602 NAG A C8 1 HETATM 3091 N N2 . NAG D 3 . ? -41.310 8.030 -48.555 1.00 90.70 ? 602 NAG A N2 1 HETATM 3092 O O3 . NAG D 3 . ? -41.105 10.869 -48.364 1.00 89.51 ? 602 NAG A O3 1 HETATM 3093 O O4 . NAG D 3 . ? -43.453 12.225 -47.398 1.00 91.88 ? 602 NAG A O4 1 HETATM 3094 O O5 . NAG D 3 . ? -44.835 9.100 -48.789 1.00 85.69 ? 602 NAG A O5 1 HETATM 3095 O O6 . NAG D 3 . ? -47.236 10.465 -48.508 1.00 89.72 ? 602 NAG A O6 1 HETATM 3096 O O7 . NAG D 3 . ? -41.064 7.246 -50.658 1.00 94.90 ? 602 NAG A O7 1 HETATM 3097 C C1 . NAG E 3 . ? -72.283 -1.957 -37.162 1.00 113.39 ? 603 NAG A C1 1 HETATM 3098 C C2 . NAG E 3 . ? -73.802 -1.938 -37.401 1.00 120.54 ? 603 NAG A C2 1 HETATM 3099 C C3 . NAG E 3 . ? -74.438 -3.312 -37.207 1.00 121.21 ? 603 NAG A C3 1 HETATM 3100 C C4 . NAG E 3 . ? -73.482 -4.405 -37.673 1.00 120.59 ? 603 NAG A C4 1 HETATM 3101 C C5 . NAG E 3 . ? -72.203 -4.402 -36.834 1.00 119.06 ? 603 NAG A C5 1 HETATM 3102 C C6 . NAG E 3 . ? -71.041 -5.014 -37.614 1.00 118.75 ? 603 NAG A C6 1 HETATM 3103 C C7 . NAG E 3 . ? -75.307 -0.024 -36.936 1.00 124.57 ? 603 NAG A C7 1 HETATM 3104 C C8 . NAG E 3 . ? -75.822 0.895 -35.866 1.00 124.40 ? 603 NAG A C8 1 HETATM 3105 N N2 . NAG E 3 . ? -74.428 -0.951 -36.526 1.00 123.05 ? 603 NAG A N2 1 HETATM 3106 O O3 . NAG E 3 . ? -75.659 -3.383 -37.953 1.00 123.20 ? 603 NAG A O3 1 HETATM 3107 O O4 . NAG E 3 . ? -74.108 -5.690 -37.578 1.00 119.26 ? 603 NAG A O4 1 HETATM 3108 O O5 . NAG E 3 . ? -71.843 -3.085 -36.383 1.00 116.94 ? 603 NAG A O5 1 HETATM 3109 O O6 . NAG E 3 . ? -70.051 -5.505 -36.703 1.00 119.02 ? 603 NAG A O6 1 HETATM 3110 O O7 . NAG E 3 . ? -75.685 0.093 -38.093 1.00 125.44 ? 603 NAG A O7 1 HETATM 3111 C C1 . NAG F 3 . ? -39.061 -8.974 -54.979 1.00 92.14 ? 604 NAG A C1 1 HETATM 3112 C C2 . NAG F 3 . ? -38.056 -9.656 -54.040 1.00 100.21 ? 604 NAG A C2 1 HETATM 3113 C C3 . NAG F 3 . ? -38.455 -11.103 -53.716 1.00 101.86 ? 604 NAG A C3 1 HETATM 3114 C C4 . NAG F 3 . ? -39.944 -11.252 -53.402 1.00 103.20 ? 604 NAG A C4 1 HETATM 3115 C C5 . NAG F 3 . ? -40.799 -10.521 -54.432 1.00 102.77 ? 604 NAG A C5 1 HETATM 3116 C C6 . NAG F 3 . ? -42.285 -10.591 -54.096 1.00 103.98 ? 604 NAG A C6 1 HETATM 3117 C C7 . NAG F 3 . ? -35.597 -9.738 -53.899 1.00 104.04 ? 604 NAG A C7 1 HETATM 3118 C C8 . NAG F 3 . ? -34.312 -9.674 -54.669 1.00 104.18 ? 604 NAG A C8 1 HETATM 3119 N N2 . NAG F 3 . ? -36.717 -9.618 -54.622 1.00 102.03 ? 604 NAG A N2 1 HETATM 3120 O O3 . NAG F 3 . ? -37.716 -11.582 -52.585 1.00 101.15 ? 604 NAG A O3 1 HETATM 3121 O O4 . NAG F 3 . ? -40.288 -12.643 -53.378 1.00 105.48 ? 604 NAG A O4 1 HETATM 3122 O O5 . NAG F 3 . ? -40.389 -9.156 -54.470 1.00 98.39 ? 604 NAG A O5 1 HETATM 3123 O O6 . NAG F 3 . ? -43.035 -9.823 -55.046 1.00 105.45 ? 604 NAG A O6 1 HETATM 3124 O O7 . NAG F 3 . ? -35.592 -9.897 -52.687 1.00 105.31 ? 604 NAG A O7 1 HETATM 3125 C C1 . GOL G 4 . ? -43.983 2.923 -18.206 1.00 92.19 ? 605 GOL A C1 1 HETATM 3126 O O1 . GOL G 4 . ? -44.710 3.697 -17.244 1.00 90.34 ? 605 GOL A O1 1 HETATM 3127 C C2 . GOL G 4 . ? -42.686 3.639 -18.584 1.00 91.09 ? 605 GOL A C2 1 HETATM 3128 O O2 . GOL G 4 . ? -41.558 2.914 -18.077 1.00 90.56 ? 605 GOL A O2 1 HETATM 3129 C C3 . GOL G 4 . ? -42.563 3.807 -20.100 1.00 90.74 ? 605 GOL A C3 1 HETATM 3130 O O3 . GOL G 4 . ? -42.496 2.527 -20.740 1.00 90.52 ? 605 GOL A O3 1 HETATM 3131 C C1 . GOL H 4 . ? -64.950 19.544 -37.729 1.00 89.72 ? 606 GOL A C1 1 HETATM 3132 O O1 . GOL H 4 . ? -64.560 20.356 -36.611 1.00 89.74 ? 606 GOL A O1 1 HETATM 3133 C C2 . GOL H 4 . ? -63.886 19.543 -38.826 1.00 89.42 ? 606 GOL A C2 1 HETATM 3134 O O2 . GOL H 4 . ? -64.047 20.704 -39.653 1.00 92.35 ? 606 GOL A O2 1 HETATM 3135 C C3 . GOL H 4 . ? -62.474 19.501 -38.238 1.00 88.49 ? 606 GOL A C3 1 HETATM 3136 O O3 . GOL H 4 . ? -62.055 20.815 -37.846 1.00 87.85 ? 606 GOL A O3 1 HETATM 3137 C C1 . NAG I 3 . ? -45.917 33.510 29.674 1.00 138.45 ? 701 NAG B C1 1 HETATM 3138 C C2 . NAG I 3 . ? -46.159 34.736 30.581 1.00 145.31 ? 701 NAG B C2 1 HETATM 3139 C C3 . NAG I 3 . ? -44.882 35.393 31.113 1.00 145.44 ? 701 NAG B C3 1 HETATM 3140 C C4 . NAG I 3 . ? -43.860 34.356 31.558 1.00 144.76 ? 701 NAG B C4 1 HETATM 3141 C C5 . NAG I 3 . ? -43.523 33.478 30.361 1.00 142.76 ? 701 NAG B C5 1 HETATM 3142 C C6 . NAG I 3 . ? -42.440 32.450 30.691 1.00 141.08 ? 701 NAG B C6 1 HETATM 3143 C C7 . NAG I 3 . ? -47.752 36.629 30.498 1.00 149.50 ? 701 NAG B C7 1 HETATM 3144 C C8 . NAG I 3 . ? -48.472 37.592 29.597 1.00 148.34 ? 701 NAG B C8 1 HETATM 3145 N N2 . NAG I 3 . ? -46.948 35.751 29.881 1.00 148.44 ? 701 NAG B N2 1 HETATM 3146 O O3 . NAG I 3 . ? -45.187 36.255 32.218 1.00 145.92 ? 701 NAG B O3 1 HETATM 3147 O O4 . NAG I 3 . ? -42.688 35.005 32.069 1.00 145.66 ? 701 NAG B O4 1 HETATM 3148 O O5 . NAG I 3 . ? -44.706 32.782 29.961 1.00 140.75 ? 701 NAG B O5 1 HETATM 3149 O O6 . NAG I 3 . ? -42.193 31.622 29.548 1.00 139.63 ? 701 NAG B O6 1 HETATM 3150 O O7 . NAG I 3 . ? -47.909 36.665 31.710 1.00 150.83 ? 701 NAG B O7 1 HETATM 3151 C C1 . NAG J 3 . ? -63.156 4.115 -14.231 1.00 47.25 ? 702 NAG B C1 1 HETATM 3152 C C2 . NAG J 3 . ? -63.381 4.349 -15.719 1.00 50.81 ? 702 NAG B C2 1 HETATM 3153 C C3 . NAG J 3 . ? -64.557 3.510 -16.208 1.00 54.22 ? 702 NAG B C3 1 HETATM 3154 C C4 . NAG J 3 . ? -64.352 2.031 -15.848 1.00 57.01 ? 702 NAG B C4 1 HETATM 3155 C C5 . NAG J 3 . ? -64.007 1.887 -14.364 1.00 54.11 ? 702 NAG B C5 1 HETATM 3156 C C6 . NAG J 3 . ? -63.637 0.460 -13.973 1.00 53.12 ? 702 NAG B C6 1 HETATM 3157 C C7 . NAG J 3 . ? -62.922 6.509 -16.820 1.00 49.78 ? 702 NAG B C7 1 HETATM 3158 C C8 . NAG J 3 . ? -63.348 7.942 -16.939 1.00 48.90 ? 702 NAG B C8 1 HETATM 3159 N N2 . NAG J 3 . ? -63.637 5.758 -15.974 1.00 50.13 ? 702 NAG B N2 1 HETATM 3160 O O3 . NAG J 3 . ? -64.688 3.725 -17.619 1.00 54.12 ? 702 NAG B O3 1 HETATM 3161 O O4 . NAG J 3 . ? -65.537 1.251 -16.064 1.00 66.71 ? 702 NAG B O4 1 HETATM 3162 O O5 . NAG J 3 . ? -62.904 2.726 -14.028 1.00 50.10 ? 702 NAG B O5 1 HETATM 3163 O O6 . NAG J 3 . ? -62.468 0.042 -14.688 1.00 52.44 ? 702 NAG B O6 1 HETATM 3164 O O7 . NAG J 3 . ? -61.980 6.089 -17.468 1.00 50.56 ? 702 NAG B O7 1 HETATM 3165 C C1 . NAG K 3 . ? -65.838 1.000 -17.450 1.00 79.79 ? 703 NAG B C1 1 HETATM 3166 C C2 . NAG K 3 . ? -66.119 -0.482 -17.684 1.00 85.80 ? 703 NAG B C2 1 HETATM 3167 C C3 . NAG K 3 . ? -66.380 -0.690 -19.172 1.00 89.81 ? 703 NAG B C3 1 HETATM 3168 C C4 . NAG K 3 . ? -67.532 0.207 -19.628 1.00 93.25 ? 703 NAG B C4 1 HETATM 3169 C C5 . NAG K 3 . ? -67.313 1.670 -19.233 1.00 89.46 ? 703 NAG B C5 1 HETATM 3170 C C6 . NAG K 3 . ? -68.564 2.515 -19.479 1.00 87.95 ? 703 NAG B C6 1 HETATM 3171 C C7 . NAG K 3 . ? -65.070 -2.152 -16.184 1.00 89.31 ? 703 NAG B C7 1 HETATM 3172 C C8 . NAG K 3 . ? -63.814 -2.923 -15.898 1.00 89.11 ? 703 NAG B C8 1 HETATM 3173 N N2 . NAG K 3 . ? -65.011 -1.319 -17.236 1.00 88.25 ? 703 NAG B N2 1 HETATM 3174 O O3 . NAG K 3 . ? -66.691 -2.067 -19.422 1.00 88.48 ? 703 NAG B O3 1 HETATM 3175 O O4 . NAG K 3 . ? -67.671 0.130 -21.058 1.00 102.85 ? 703 NAG B O4 1 HETATM 3176 O O5 . NAG K 3 . ? -66.972 1.770 -17.848 1.00 84.73 ? 703 NAG B O5 1 HETATM 3177 O O6 . NAG K 3 . ? -68.191 3.853 -19.827 1.00 87.65 ? 703 NAG B O6 1 HETATM 3178 O O7 . NAG K 3 . ? -66.059 -2.293 -15.477 1.00 89.22 ? 703 NAG B O7 1 HETATM 3179 C C1 . BMA L 5 . ? -68.873 -0.569 -21.442 1.00 111.91 ? 704 BMA B C1 1 HETATM 3180 C C2 . BMA L 5 . ? -69.128 -0.349 -22.927 1.00 114.56 ? 704 BMA B C2 1 HETATM 3181 C C3 . BMA L 5 . ? -70.380 -1.101 -23.386 1.00 118.78 ? 704 BMA B C3 1 HETATM 3182 C C4 . BMA L 5 . ? -70.385 -2.554 -22.909 1.00 119.06 ? 704 BMA B C4 1 HETATM 3183 C C5 . BMA L 5 . ? -69.996 -2.683 -21.432 1.00 119.05 ? 704 BMA B C5 1 HETATM 3184 C C6 . BMA L 5 . ? -69.776 -4.137 -21.027 1.00 121.39 ? 704 BMA B C6 1 HETATM 3185 O O2 . BMA L 5 . ? -67.984 -0.771 -23.685 1.00 113.12 ? 704 BMA B O2 1 HETATM 3186 O O3 . BMA L 5 . ? -70.436 -1.074 -24.825 1.00 124.38 ? 704 BMA B O3 1 HETATM 3187 O O4 . BMA L 5 . ? -71.690 -3.110 -23.105 1.00 117.33 ? 704 BMA B O4 1 HETATM 3188 O O5 . BMA L 5 . ? -68.790 -1.965 -21.162 1.00 115.92 ? 704 BMA B O5 1 HETATM 3189 O O6 . BMA L 5 . ? -68.647 -4.649 -21.753 1.00 125.78 ? 704 BMA B O6 1 HETATM 3190 C C1 . MAN M 6 . ? -68.560 -6.083 -21.690 1.00 129.07 ? 705 MAN B C1 1 HETATM 3191 C C2 . MAN M 6 . ? -67.199 -6.503 -22.239 1.00 130.01 ? 705 MAN B C2 1 HETATM 3192 C C3 . MAN M 6 . ? -66.989 -8.011 -22.090 1.00 132.57 ? 705 MAN B C3 1 HETATM 3193 C C4 . MAN M 6 . ? -68.309 -8.785 -22.123 1.00 133.88 ? 705 MAN B C4 1 HETATM 3194 C C5 . MAN M 6 . ? -69.383 -8.042 -22.927 1.00 132.68 ? 705 MAN B C5 1 HETATM 3195 C C6 . MAN M 6 . ? -70.717 -8.791 -22.947 1.00 131.85 ? 705 MAN B C6 1 HETATM 3196 O O2 . MAN M 6 . ? -66.156 -5.777 -21.573 1.00 128.85 ? 705 MAN B O2 1 HETATM 3197 O O3 . MAN M 6 . ? -66.310 -8.306 -20.860 1.00 132.35 ? 705 MAN B O3 1 HETATM 3198 O O4 . MAN M 6 . ? -68.078 -10.079 -22.694 1.00 135.61 ? 705 MAN B O4 1 HETATM 3199 O O5 . MAN M 6 . ? -69.621 -6.722 -22.414 1.00 130.87 ? 705 MAN B O5 1 HETATM 3200 O O6 . MAN M 6 . ? -71.258 -8.892 -21.624 1.00 130.80 ? 705 MAN B O6 1 HETATM 3201 C C1 . MAN N 6 . ? -71.729 -0.717 -25.362 1.00 128.77 ? 706 MAN B C1 1 HETATM 3202 C C2 . MAN N 6 . ? -71.633 -0.687 -26.888 1.00 129.82 ? 706 MAN B C2 1 HETATM 3203 C C3 . MAN N 6 . ? -70.804 0.508 -27.364 1.00 130.93 ? 706 MAN B C3 1 HETATM 3204 C C4 . MAN N 6 . ? -71.308 1.809 -26.738 1.00 131.12 ? 706 MAN B C4 1 HETATM 3205 C C5 . MAN N 6 . ? -71.407 1.662 -25.219 1.00 130.09 ? 706 MAN B C5 1 HETATM 3206 C C6 . MAN N 6 . ? -71.988 2.898 -24.536 1.00 128.56 ? 706 MAN B C6 1 HETATM 3207 O O2 . MAN N 6 . ? -72.951 -0.626 -27.447 1.00 129.25 ? 706 MAN B O2 1 HETATM 3208 O O3 . MAN N 6 . ? -70.845 0.603 -28.795 1.00 130.41 ? 706 MAN B O3 1 HETATM 3209 O O4 . MAN N 6 . ? -70.416 2.880 -27.067 1.00 130.98 ? 706 MAN B O4 1 HETATM 3210 O O5 . MAN N 6 . ? -72.237 0.540 -24.899 1.00 129.67 ? 706 MAN B O5 1 HETATM 3211 O O6 . MAN N 6 . ? -70.953 3.596 -23.831 1.00 128.24 ? 706 MAN B O6 1 HETATM 3212 O O . HOH O 7 . ? -45.062 12.434 -31.126 1.00 46.39 ? 701 HOH A O 1 HETATM 3213 O O . HOH O 7 . ? -41.733 12.770 -27.666 1.00 62.74 ? 702 HOH A O 1 HETATM 3214 O O . HOH O 7 . ? -49.574 19.225 -33.062 1.00 55.74 ? 703 HOH A O 1 HETATM 3215 O O . HOH O 7 . ? -60.127 23.000 -27.895 1.00 56.49 ? 704 HOH A O 1 HETATM 3216 O O . HOH O 7 . ? -66.193 18.957 -23.930 1.00 38.84 ? 705 HOH A O 1 HETATM 3217 O O . HOH O 7 . ? -63.155 5.233 -45.183 1.00 63.83 ? 706 HOH A O 1 HETATM 3218 O O . HOH O 7 . ? -63.110 16.783 -34.870 1.00 43.86 ? 707 HOH A O 1 HETATM 3219 O O . HOH O 7 . ? -45.289 4.151 -14.661 1.00 55.73 ? 708 HOH A O 1 HETATM 3220 O O . HOH O 7 . ? -55.422 14.416 -41.927 1.00 63.90 ? 709 HOH A O 1 HETATM 3221 O O . HOH O 7 . ? -48.839 25.895 -23.374 1.00 46.30 ? 710 HOH A O 1 HETATM 3222 O O . HOH O 7 . ? -49.785 11.101 -17.683 1.00 38.34 ? 711 HOH A O 1 HETATM 3223 O O . HOH O 7 . ? -51.550 -1.392 -32.888 1.00 51.33 ? 712 HOH A O 1 HETATM 3224 O O . HOH O 7 . ? -61.380 -0.925 -24.636 1.00 66.72 ? 713 HOH A O 1 HETATM 3225 O O . HOH O 7 . ? -48.466 -1.969 -25.110 1.00 69.26 ? 714 HOH A O 1 HETATM 3226 O O . HOH O 7 . ? -49.933 -1.568 -27.692 1.00 53.53 ? 715 HOH A O 1 HETATM 3227 O O . HOH O 7 . ? -42.390 6.455 -22.272 1.00 55.60 ? 716 HOH A O 1 HETATM 3228 O O . HOH O 7 . ? -59.434 2.541 -16.346 1.00 55.62 ? 717 HOH A O 1 HETATM 3229 O O . HOH O 7 . ? -62.017 16.531 -32.229 1.00 45.09 ? 718 HOH A O 1 HETATM 3230 O O . HOH O 7 . ? -69.032 26.020 -22.596 1.00 43.27 ? 719 HOH A O 1 HETATM 3231 O O . HOH O 7 . ? -53.038 22.407 -12.064 1.00 54.56 ? 720 HOH A O 1 HETATM 3232 O O . HOH O 7 . ? -50.613 8.739 7.207 1.00 54.53 ? 721 HOH A O 1 HETATM 3233 O O . HOH O 7 . ? -48.196 4.528 -18.679 1.00 51.36 ? 722 HOH A O 1 HETATM 3234 O O . HOH O 7 . ? -65.781 8.530 -38.085 1.00 64.83 ? 723 HOH A O 1 HETATM 3235 O O . HOH O 7 . ? -50.485 5.232 9.604 1.00 59.96 ? 724 HOH A O 1 HETATM 3236 O O . HOH O 7 . ? -58.010 15.593 -39.326 1.00 48.85 ? 725 HOH A O 1 HETATM 3237 O O . HOH O 7 . ? -66.535 12.413 -23.697 1.00 42.11 ? 726 HOH A O 1 HETATM 3238 O O . HOH O 7 . ? -46.952 18.689 -30.641 1.00 55.43 ? 727 HOH A O 1 HETATM 3239 O O . HOH O 7 . ? -47.248 29.864 1.686 1.00 48.82 ? 728 HOH A O 1 HETATM 3240 O O . HOH O 7 . ? -69.245 18.750 -30.281 1.00 47.48 ? 729 HOH A O 1 HETATM 3241 O O . HOH O 7 . ? -63.709 13.095 -23.845 1.00 43.47 ? 730 HOH A O 1 HETATM 3242 O O . HOH O 7 . ? -44.283 17.588 -26.723 1.00 51.37 ? 731 HOH A O 1 HETATM 3243 O O . HOH O 7 . ? -48.818 14.177 -37.602 1.00 66.83 ? 732 HOH A O 1 HETATM 3244 O O . HOH O 7 . ? -49.385 21.752 -24.285 1.00 40.42 ? 733 HOH A O 1 HETATM 3245 O O . HOH O 7 . ? -49.854 22.950 -16.377 1.00 62.88 ? 734 HOH A O 1 HETATM 3246 O O . HOH O 7 . ? -55.531 21.564 -12.672 1.00 48.91 ? 735 HOH A O 1 HETATM 3247 O O . HOH O 7 . ? -52.293 -4.111 -33.256 1.00 50.63 ? 736 HOH A O 1 HETATM 3248 O O . HOH O 7 . ? -59.670 -2.633 -22.916 1.00 55.37 ? 737 HOH A O 1 HETATM 3249 O O . HOH O 7 . ? -53.095 5.277 -21.502 1.00 41.01 ? 738 HOH A O 1 HETATM 3250 O O . HOH O 7 . ? -54.033 13.095 -32.800 1.00 42.41 ? 739 HOH A O 1 HETATM 3251 O O . HOH O 7 . ? -52.513 20.472 -35.431 1.00 48.17 ? 740 HOH A O 1 HETATM 3252 O O . HOH O 7 . ? -68.436 21.686 -22.664 1.00 39.21 ? 741 HOH A O 1 HETATM 3253 O O . HOH O 7 . ? -65.178 25.625 -26.047 1.00 54.24 ? 742 HOH A O 1 HETATM 3254 O O . HOH O 7 . ? -37.437 -2.193 -36.680 1.00 81.63 ? 743 HOH A O 1 HETATM 3255 O O . HOH O 7 . ? -52.764 -1.939 -20.421 1.00 48.64 ? 744 HOH A O 1 HETATM 3256 O O . HOH O 7 . ? -53.889 4.860 -14.220 1.00 44.45 ? 745 HOH A O 1 HETATM 3257 O O . HOH O 7 . ? -45.707 -2.765 -25.144 1.00 58.76 ? 746 HOH A O 1 HETATM 3258 O O . HOH O 7 . ? -48.482 25.584 -30.121 1.00 57.88 ? 747 HOH A O 1 HETATM 3259 O O . HOH O 7 . ? -70.271 21.341 -32.299 1.00 64.38 ? 748 HOH A O 1 HETATM 3260 O O . HOH O 7 . ? -73.677 14.772 -33.132 1.00 58.60 ? 749 HOH A O 1 HETATM 3261 O O . HOH O 7 . ? -48.054 31.094 -28.172 1.00 67.86 ? 750 HOH A O 1 HETATM 3262 O O . HOH O 7 . ? -60.166 12.764 -14.006 1.00 39.31 ? 751 HOH A O 1 HETATM 3263 O O . HOH O 7 . ? -44.601 12.460 -28.239 1.00 69.68 ? 752 HOH A O 1 HETATM 3264 O O . HOH O 7 . ? -46.783 27.358 -24.427 1.00 44.19 ? 753 HOH A O 1 HETATM 3265 O O . HOH O 7 . ? -51.502 18.070 -38.945 1.00 60.74 ? 754 HOH A O 1 HETATM 3266 O O . HOH O 7 . ? -52.660 6.157 -24.224 1.00 50.91 ? 755 HOH A O 1 HETATM 3267 O O . HOH O 7 . ? -47.537 15.920 -31.423 1.00 44.04 ? 756 HOH A O 1 HETATM 3268 O O . HOH O 7 . ? -48.965 2.581 -16.606 1.00 44.70 ? 757 HOH A O 1 HETATM 3269 O O . HOH O 7 . ? -50.206 -2.560 -30.483 1.00 55.47 ? 758 HOH A O 1 HETATM 3270 O O . HOH O 7 . ? -68.524 8.919 -37.117 1.00 55.32 ? 759 HOH A O 1 HETATM 3271 O O . HOH O 7 . ? -53.109 17.158 -42.462 1.00 69.86 ? 760 HOH A O 1 HETATM 3272 O O . HOH O 7 . ? -62.731 -0.764 -27.138 1.00 59.91 ? 761 HOH A O 1 HETATM 3273 O O . HOH O 7 . ? -39.945 6.010 -23.733 1.00 58.48 ? 762 HOH A O 1 HETATM 3274 O O . HOH O 7 . ? -67.857 8.151 -34.302 1.00 49.82 ? 763 HOH A O 1 HETATM 3275 O O . HOH O 7 . ? -45.898 25.588 -28.530 1.00 59.58 ? 764 HOH A O 1 HETATM 3276 O O . HOH O 7 . ? -43.068 24.272 -23.240 1.00 54.92 ? 765 HOH A O 1 HETATM 3277 O O . HOH O 7 . ? -69.819 23.128 -30.091 1.00 75.72 ? 766 HOH A O 1 HETATM 3278 O O . HOH O 7 . ? -52.057 16.879 4.801 1.00 70.14 ? 767 HOH A O 1 HETATM 3279 O O . HOH O 7 . ? -68.133 18.966 -21.936 1.00 42.16 ? 768 HOH A O 1 HETATM 3280 O O . HOH O 7 . ? -60.712 23.239 -30.795 1.00 61.28 ? 769 HOH A O 1 HETATM 3281 O O . HOH P 7 . ? -70.393 25.886 -20.052 1.00 47.21 ? 801 HOH B O 1 HETATM 3282 O O . HOH P 7 . ? -56.122 23.214 9.563 1.00 62.87 ? 802 HOH B O 1 HETATM 3283 O O . HOH P 7 . ? -36.437 30.345 -19.606 1.00 55.20 ? 803 HOH B O 1 HETATM 3284 O O . HOH P 7 . ? -66.681 5.436 -17.875 1.00 49.02 ? 804 HOH B O 1 HETATM 3285 O O . HOH P 7 . ? -66.973 18.010 -19.647 1.00 41.95 ? 805 HOH B O 1 HETATM 3286 O O . HOH P 7 . ? -58.709 13.963 -7.193 1.00 37.02 ? 806 HOH B O 1 HETATM 3287 O O . HOH P 7 . ? -62.935 27.233 -15.503 1.00 44.13 ? 807 HOH B O 1 HETATM 3288 O O . HOH P 7 . ? -65.740 28.633 15.549 1.00 65.84 ? 808 HOH B O 1 HETATM 3289 O O . HOH P 7 . ? -66.347 12.567 -9.582 1.00 46.03 ? 809 HOH B O 1 HETATM 3290 O O . HOH P 7 . ? -45.706 21.392 -14.527 1.00 61.67 ? 810 HOH B O 1 HETATM 3291 O O . HOH P 7 . ? -25.952 33.387 -29.876 1.00 74.46 ? 811 HOH B O 1 HETATM 3292 O O . HOH P 7 . ? -42.825 21.580 -23.256 1.00 49.27 ? 812 HOH B O 1 HETATM 3293 O O . HOH P 7 . ? -58.651 4.482 1.400 1.00 75.16 ? 813 HOH B O 1 HETATM 3294 O O . HOH P 7 . ? -64.152 31.925 -22.263 1.00 40.67 ? 814 HOH B O 1 HETATM 3295 O O . HOH P 7 . ? -58.496 29.133 -15.274 1.00 42.18 ? 815 HOH B O 1 HETATM 3296 O O . HOH P 7 . ? -63.275 3.899 -3.534 1.00 64.87 ? 816 HOH B O 1 HETATM 3297 O O . HOH P 7 . ? -45.390 3.506 5.523 1.00 60.11 ? 817 HOH B O 1 HETATM 3298 O O . HOH P 7 . ? -27.330 34.334 -14.694 1.00 70.34 ? 818 HOH B O 1 HETATM 3299 O O . HOH P 7 . ? -62.066 24.528 -19.307 1.00 39.63 ? 819 HOH B O 1 HETATM 3300 O O . HOH P 7 . ? -35.249 28.077 -23.200 1.00 42.56 ? 820 HOH B O 1 HETATM 3301 O O . HOH P 7 . ? -54.785 26.777 -9.613 1.00 41.66 ? 821 HOH B O 1 HETATM 3302 O O . HOH P 7 . ? -56.458 5.988 -13.628 1.00 41.80 ? 822 HOH B O 1 HETATM 3303 O O . HOH P 7 . ? -55.244 0.712 -11.582 1.00 46.77 ? 823 HOH B O 1 HETATM 3304 O O . HOH P 7 . ? -44.172 1.000 -15.300 1.00 70.55 ? 824 HOH B O 1 HETATM 3305 O O . HOH P 7 . ? -43.982 -1.441 -13.025 1.00 73.13 ? 825 HOH B O 1 HETATM 3306 O O . HOH P 7 . ? -59.923 5.303 -15.629 1.00 47.46 ? 826 HOH B O 1 HETATM 3307 O O . HOH P 7 . ? -62.073 3.345 -18.791 1.00 58.43 ? 827 HOH B O 1 HETATM 3308 O O . HOH P 7 . ? -44.282 -0.871 -6.184 1.00 57.87 ? 828 HOH B O 1 HETATM 3309 O O . HOH P 7 . ? -61.391 24.452 -24.947 1.00 51.04 ? 829 HOH B O 1 HETATM 3310 O O . HOH P 7 . ? -63.938 6.863 -2.788 1.00 62.29 ? 830 HOH B O 1 HETATM 3311 O O . HOH P 7 . ? -52.261 -5.578 -12.010 1.00 50.19 ? 831 HOH B O 1 HETATM 3312 O O . HOH P 7 . ? -70.828 18.206 -21.736 1.00 47.50 ? 832 HOH B O 1 HETATM 3313 O O . HOH P 7 . ? -55.225 24.084 -10.892 1.00 55.73 ? 833 HOH B O 1 HETATM 3314 O O . HOH P 7 . ? -36.763 16.892 -20.724 1.00 53.17 ? 834 HOH B O 1 HETATM 3315 O O . HOH P 7 . ? -65.712 9.291 -12.320 1.00 53.67 ? 835 HOH B O 1 HETATM 3316 O O . HOH P 7 . ? -38.491 26.063 -23.268 1.00 67.48 ? 836 HOH B O 1 HETATM 3317 O O . HOH P 7 . ? -57.207 23.829 -13.137 1.00 38.30 ? 837 HOH B O 1 HETATM 3318 O O . HOH P 7 . ? -67.069 29.949 -15.955 1.00 66.23 ? 838 HOH B O 1 HETATM 3319 O O . HOH P 7 . ? -58.130 27.700 -26.420 1.00 62.30 ? 839 HOH B O 1 HETATM 3320 O O . HOH P 7 . ? -71.121 22.612 -22.122 1.00 50.36 ? 840 HOH B O 1 HETATM 3321 O O . HOH P 7 . ? -65.044 29.538 10.173 1.00 63.35 ? 841 HOH B O 1 HETATM 3322 O O . HOH P 7 . ? -65.556 6.879 -13.893 1.00 59.11 ? 842 HOH B O 1 HETATM 3323 O O . HOH P 7 . ? -61.472 31.318 -21.771 1.00 47.11 ? 843 HOH B O 1 HETATM 3324 O O . HOH P 7 . ? -33.373 21.166 -25.217 1.00 59.58 ? 844 HOH B O 1 HETATM 3325 O O . HOH P 7 . ? -56.300 31.587 -10.111 1.00 55.00 ? 845 HOH B O 1 HETATM 3326 O O . HOH P 7 . ? -67.467 8.353 -10.126 1.00 62.58 ? 846 HOH B O 1 HETATM 3327 O O . HOH P 7 . ? -57.973 30.267 -22.851 1.00 53.48 ? 847 HOH B O 1 HETATM 3328 O O . HOH P 7 . ? -55.092 30.955 -23.988 1.00 57.83 ? 848 HOH B O 1 HETATM 3329 O O . HOH P 7 . ? -41.591 0.478 -13.904 1.00 73.96 ? 849 HOH B O 1 HETATM 3330 O O . HOH P 7 . ? -44.699 20.404 -30.913 1.00 74.01 ? 850 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . SER A 5 ? 0.8527 0.9183 0.6097 -0.0911 0.1458 -0.0428 32 SER A N 2 C CA . SER A 5 ? 0.8313 0.8794 0.5729 -0.0779 0.1254 -0.0417 32 SER A CA 3 C C . SER A 5 ? 0.7866 0.8144 0.5222 -0.0807 0.1130 -0.0301 32 SER A C 4 O O . SER A 5 ? 0.7906 0.8067 0.5172 -0.0911 0.1216 -0.0210 32 SER A O 5 C CB . SER A 5 ? 0.8754 0.9079 0.5767 -0.0711 0.1295 -0.0422 32 SER A CB 6 O OG . SER A 5 ? 0.8977 0.9246 0.5941 -0.0584 0.1116 -0.0486 32 SER A OG 7 N N . ILE A 6 ? 0.7388 0.7616 0.4796 -0.0717 0.0940 -0.0311 33 ILE A N 8 C CA . ILE A 6 ? 0.7107 0.7160 0.4448 -0.0717 0.0821 -0.0214 33 ILE A CA 9 C C . ILE A 6 ? 0.7280 0.7097 0.4214 -0.0680 0.0817 -0.0137 33 ILE A C 10 O O . ILE A 6 ? 0.7267 0.7060 0.4021 -0.0596 0.0767 -0.0188 33 ILE A O 11 C CB . ILE A 6 ? 0.6891 0.6980 0.4416 -0.0642 0.0642 -0.0253 33 ILE A CB 12 C CG1 . ILE A 6 ? 0.6632 0.6902 0.4501 -0.0661 0.0635 -0.0300 33 ILE A CG1 13 C CG2 . ILE A 6 ? 0.6931 0.6868 0.4380 -0.0630 0.0532 -0.0165 33 ILE A CG2 14 C CD1 . ILE A 6 ? 0.6409 0.6687 0.4428 -0.0588 0.0497 -0.0339 33 ILE A CD1 15 N N . PRO A 7 ? 0.7301 0.6925 0.4064 -0.0733 0.0865 -0.0020 34 PRO A N 16 C CA . PRO A 7 ? 0.7625 0.7000 0.3957 -0.0668 0.0857 0.0063 34 PRO A CA 17 C C . PRO A 7 ? 0.7523 0.6868 0.3784 -0.0533 0.0643 0.0045 34 PRO A C 18 O O . PRO A 7 ? 0.7299 0.6745 0.3835 -0.0516 0.0516 0.0014 34 PRO A O 19 C CB . PRO A 7 ? 0.7820 0.6966 0.4031 -0.0742 0.0934 0.0191 34 PRO A CB 20 C CG . PRO A 7 ? 0.7617 0.6924 0.4165 -0.0887 0.1046 0.0153 34 PRO A CG 21 C CD . PRO A 7 ? 0.7220 0.6820 0.4137 -0.0846 0.0934 0.0034 34 PRO A CD 22 N N . LEU A 8 ? 0.7769 0.6984 0.3657 -0.0442 0.0611 0.0060 35 LEU A N 23 C CA . LEU A 8 ? 0.7759 0.6970 0.3553 -0.0311 0.0403 0.0028 35 LEU A CA 24 C C . LEU A 8 ? 0.8167 0.7110 0.3508 -0.0218 0.0381 0.0149 35 LEU A C 25 O O . LEU A 8 ? 0.8575 0.7354 0.3534 -0.0210 0.0503 0.0199 35 LEU A O 26 C CB . LEU A 8 ? 0.7771 0.7115 0.3544 -0.0265 0.0351 -0.0114 35 LEU A CB 27 C CG . LEU A 8 ? 0.7837 0.7239 0.3581 -0.0156 0.0127 -0.0200 35 LEU A CG 28 C CD1 . LEU A 8 ? 0.7427 0.6974 0.3587 -0.0180 0.0001 -0.0236 35 LEU A CD1 29 C CD2 . LEU A 8 ? 0.7968 0.7448 0.3629 -0.0127 0.0111 -0.0350 35 LEU A CD2 30 N N . GLY A 9 ? 0.8080 0.6972 0.3452 -0.0139 0.0235 0.0199 36 GLY A N 31 C CA . GLY A 9 ? 0.8470 0.7096 0.3424 -0.0013 0.0186 0.0319 36 GLY A CA 32 C C . GLY A 9 ? 0.8779 0.7434 0.3449 0.0143 0.0020 0.0257 36 GLY A C 33 O O . GLY A 9 ? 0.8547 0.7456 0.3466 0.0175 -0.0140 0.0119 36 GLY A O 34 N N . VAL A 10 ? 0.9348 0.7728 0.3480 0.0235 0.0063 0.0357 37 VAL A N 35 C CA . VAL A 10 ? 0.9764 0.8135 0.3538 0.0415 -0.0113 0.0311 37 VAL A CA 36 C C . VAL A 10 ? 1.0328 0.8339 0.3576 0.0575 -0.0138 0.0483 37 VAL A C 37 O O . VAL A 10 ? 1.0533 0.8225 0.3553 0.0511 0.0061 0.0641 37 VAL A O 38 C CB . VAL A 10 ? 1.0021 0.8424 0.3557 0.0389 -0.0028 0.0221 37 VAL A CB 39 C CG1 . VAL A 10 ? 0.9589 0.8311 0.3619 0.0262 -0.0016 0.0047 37 VAL A CG1 40 C CG2 . VAL A 10 ? 1.0418 0.8528 0.3566 0.0312 0.0252 0.0356 37 VAL A CG2 41 N N . ILE A 11 ? 1.0588 0.8645 0.3644 0.0783 -0.0386 0.0447 38 ILE A N 42 C CA . ILE A 11 ? 1.1297 0.9011 0.3816 0.0988 -0.0452 0.0604 38 ILE A CA 43 C C . ILE A 11 ? 1.1952 0.9456 0.3824 0.1086 -0.0421 0.0634 38 ILE A C 44 O O . ILE A 11 ? 1.1984 0.9721 0.3819 0.1162 -0.0587 0.0478 38 ILE A O 45 C CB . ILE A 11 ? 1.1237 0.9146 0.3925 0.1192 -0.0757 0.0547 38 ILE A CB 46 C CG1 . ILE A 11 ? 1.0732 0.8787 0.3987 0.1098 -0.0742 0.0545 38 ILE A CG1 47 C CG2 . ILE A 11 ? 1.1943 0.9496 0.4019 0.1456 -0.0859 0.0702 38 ILE A CG2 48 C CD1 . ILE A 11 ? 1.0521 0.8917 0.4134 0.1239 -0.1013 0.0431 38 ILE A CD1 49 N N . HIS A 12 ? 1.2552 0.9607 0.3918 0.1068 -0.0195 0.0828 39 HIS A N 50 C CA . HIS A 12 ? 1.3363 1.0117 0.3989 0.1195 -0.0149 0.0908 39 HIS A CA 51 C C . HIS A 12 ? 1.3931 1.0152 0.3988 0.1344 -0.0104 0.1154 39 HIS A C 52 O O . HIS A 12 ? 1.3747 0.9753 0.3953 0.1239 0.0043 0.1277 39 HIS A O 53 C CB . HIS A 12 ? 1.3609 1.0298 0.4115 0.0989 0.0165 0.0908 39 HIS A CB 54 C CG . HIS A 12 ? 1.3358 1.0494 0.4287 0.0884 0.0130 0.0673 39 HIS A CG 55 N ND1 . HIS A 12 ? 1.2976 1.0318 0.4405 0.0644 0.0329 0.0602 39 HIS A ND1 56 C CD2 . HIS A 12 ? 1.3475 1.0875 0.4393 0.0992 -0.0086 0.0485 39 HIS A CD2 57 C CE1 . HIS A 12 ? 1.2681 1.0362 0.4371 0.0622 0.0244 0.0393 39 HIS A CE1 58 N NE2 . HIS A 12 ? 1.3004 1.0719 0.4398 0.0818 -0.0003 0.0314 39 HIS A NE2 59 N N . ASN A 13 ? 1.4592 1.0578 0.3978 0.1592 -0.0235 0.1219 40 ASN A N 60 C CA . ASN A 13 ? 1.5339 1.0747 0.4060 0.1779 -0.0204 0.1467 40 ASN A CA 61 C C . ASN A 13 ? 1.5081 1.0409 0.4122 0.1836 -0.0291 0.1544 40 ASN A C 62 O O . ASN A 13 ? 1.5368 1.0240 0.4255 0.1745 -0.0063 0.1735 40 ASN A O 63 C CB . ASN A 13 ? 1.5887 1.0805 0.4121 0.1606 0.0192 0.1655 40 ASN A CB 64 C CG . ASN A 13 ? 1.6305 1.1244 0.4111 0.1592 0.0294 0.1600 40 ASN A CG 65 O OD1 . ASN A 13 ? 1.6652 1.1675 0.4099 0.1825 0.0054 0.1526 40 ASN A OD1 66 N ND2 . ASN A 13 ? 1.6344 1.1208 0.4176 0.1322 0.0655 0.1629 40 ASN A ND2 67 N N . SER A 14 ? 1.4534 1.0324 0.4064 0.1962 -0.0606 0.1376 41 SER A N 68 C CA . SER A 14 ? 1.4288 1.0100 0.4174 0.2045 -0.0721 0.1406 41 SER A CA 69 C C . SER A 14 ? 1.3935 0.9635 0.4221 0.1767 -0.0450 0.1464 41 SER A C 70 O O . SER A 14 ? 1.4179 0.9576 0.4427 0.1830 -0.0422 0.1589 41 SER A O 71 C CB . SER A 14 ? 1.5025 1.0374 0.4283 0.2378 -0.0852 0.1591 41 SER A CB 72 O OG . SER A 14 ? 1.5308 1.0887 0.4342 0.2666 -0.1180 0.1495 41 SER A OG 73 N N . ALA A 15 ? 1.3436 0.9377 0.4096 0.1473 -0.0261 0.1364 42 ALA A N 74 C CA . ALA A 15 ? 1.3111 0.8979 0.4142 0.1205 -0.0012 0.1401 42 ALA A CA 75 C C . ALA A 15 ? 1.2405 0.8765 0.4074 0.0953 0.0054 0.1214 42 ALA A C 76 O O . ALA A 15 ? 1.2301 0.8854 0.3941 0.0885 0.0094 0.1119 42 ALA A O 77 C CB . ALA A 15 ? 1.3710 0.9011 0.4219 0.1089 0.0300 0.1601 42 ALA A CB 78 N N . LEU A 16 ? 1.1989 0.8526 0.4208 0.0829 0.0070 0.1164 43 LEU A N 79 C CA . LEU A 16 ? 1.1463 0.8416 0.4266 0.0607 0.0135 0.1008 43 LEU A CA 80 C C . LEU A 16 ? 1.1680 0.8496 0.4438 0.0361 0.0444 0.1052 43 LEU A C 81 O O . LEU A 16 ? 1.1987 0.8434 0.4565 0.0269 0.0633 0.1189 43 LEU A O 82 C CB . LEU A 16 ? 1.0910 0.8060 0.4253 0.0563 0.0063 0.0954 43 LEU A CB 83 C CG . LEU A 16 ? 1.0218 0.7800 0.4153 0.0378 0.0085 0.0794 43 LEU A CG 84 C CD1 . LEU A 16 ? 0.9997 0.7961 0.4111 0.0461 -0.0116 0.0635 43 LEU A CD1 85 C CD2 . LEU A 16 ? 0.9791 0.7447 0.4140 0.0318 0.0077 0.0783 43 LEU A CD2 86 N N . GLN A 17 ? 1.1671 0.8783 0.4593 0.0259 0.0495 0.0926 44 GLN A N 87 C CA . GLN A 17 ? 1.1842 0.8945 0.4810 0.0034 0.0777 0.0926 44 GLN A CA 88 C C . GLN A 17 ? 1.1372 0.8946 0.4907 -0.0088 0.0765 0.0740 44 GLN A C 89 O O . GLN A 17 ? 1.0999 0.8858 0.4776 0.0002 0.0554 0.0616 44 GLN A O 90 C CB . GLN A 17 ? 1.2482 0.9330 0.4853 0.0064 0.0928 0.1003 44 GLN A CB 91 C CG . GLN A 17 ? 1.2845 0.9688 0.4814 0.0303 0.0718 0.0975 44 GLN A CG 92 C CD . GLN A 17 ? 1.3727 1.0145 0.4951 0.0369 0.0872 0.1125 44 GLN A CD 93 O OE1 . GLN A 17 ? 1.3972 1.0456 0.4977 0.0349 0.0972 0.1068 44 GLN A OE1 94 N NE2 . GLN A 17 ? 1.4229 1.0179 0.5034 0.0456 0.0903 0.1321 44 GLN A NE2 95 N N . VAL A 18 ? 1.1494 0.9140 0.5246 -0.0295 0.0992 0.0722 45 VAL A N 96 C CA . VAL A 18 ? 1.1301 0.9351 0.5508 -0.0393 0.1011 0.0558 45 VAL A CA 97 C C . VAL A 18 ? 1.1766 0.9889 0.5714 -0.0335 0.1047 0.0485 45 VAL A C 98 O O . VAL A 18 ? 1.2186 1.0071 0.5686 -0.0344 0.1217 0.0572 45 VAL A O 99 C CB . VAL A 18 ? 1.1198 0.9333 0.5713 -0.0614 0.1239 0.0550 45 VAL A CB 100 C CG1 . VAL A 18 ? 1.0830 0.9376 0.5771 -0.0675 0.1253 0.0381 45 VAL A CG1 101 C CG2 . VAL A 18 ? 1.0992 0.9049 0.5750 -0.0677 0.1202 0.0602 45 VAL A CG2 102 N N . SER A 19 ? 1.1880 1.0310 0.6098 -0.0282 0.0900 0.0325 46 SER A N 103 C CA . SER A 19 ? 1.2482 1.1004 0.6499 -0.0223 0.0915 0.0217 46 SER A CA 104 C C . SER A 19 ? 1.2768 1.1392 0.6873 -0.0365 0.1189 0.0181 46 SER A C 105 O O . SER A 19 ? 1.2378 1.1218 0.6952 -0.0484 0.1255 0.0127 46 SER A O 106 C CB . SER A 19 ? 1.2180 1.0981 0.6522 -0.0155 0.0695 0.0042 46 SER A CB 107 O OG . SER A 19 ? 1.2553 1.1421 0.6694 -0.0094 0.0699 -0.0080 46 SER A OG 108 N N . ASP A 20 ? 1.3678 1.2163 0.7330 -0.0342 0.1344 0.0204 47 ASP A N 109 C CA . ASP A 20 ? 1.4180 1.2786 0.7895 -0.0470 0.1629 0.0161 47 ASP A CA 110 C C . ASP A 20 ? 1.4125 1.3040 0.8067 -0.0417 0.1586 -0.0044 47 ASP A C 111 O O . ASP A 20 ? 1.4279 1.3152 0.7912 -0.0281 0.1480 -0.0120 47 ASP A O 112 C CB . ASP A 20 ? 1.5057 1.3351 0.8153 -0.0478 0.1854 0.0287 47 ASP A CB 113 C CG . ASP A 20 ? 1.5320 1.3732 0.8531 -0.0659 0.2202 0.0274 47 ASP A CG 114 O OD1 . ASP A 20 ? 1.6023 1.4239 0.8748 -0.0669 0.2419 0.0340 47 ASP A OD1 115 O OD2 . ASP A 20 ? 1.4957 1.3665 0.8735 -0.0790 0.2264 0.0196 47 ASP A OD2 116 N N . VAL A 21 ? 1.3958 1.3169 0.8424 -0.0515 0.1664 -0.0138 48 VAL A N 117 C CA . VAL A 21 ? 1.3859 1.3346 0.8606 -0.0455 0.1613 -0.0333 48 VAL A CA 118 C C . VAL A 21 ? 1.4353 1.3889 0.8837 -0.0432 0.1826 -0.0415 48 VAL A C 119 O O . VAL A 21 ? 1.4296 1.3938 0.8785 -0.0326 0.1755 -0.0574 48 VAL A O 120 C CB . VAL A 21 ? 1.3307 1.3084 0.8682 -0.0537 0.1612 -0.0399 48 VAL A CB 121 C CG1 . VAL A 21 ? 1.3107 1.3103 0.8738 -0.0444 0.1535 -0.0587 48 VAL A CG1 122 C CG2 . VAL A 21 ? 1.2970 1.2685 0.8563 -0.0562 0.1426 -0.0315 48 VAL A CG2 123 N N . ASP A 22 ? 1.4933 1.4377 0.9181 -0.0536 0.2099 -0.0312 49 ASP A N 124 C CA . ASP A 22 ? 1.5548 1.5006 0.9471 -0.0522 0.2343 -0.0367 49 ASP A CA 125 C C . ASP A 22 ? 1.5997 1.5185 0.9276 -0.0363 0.2246 -0.0362 49 ASP A C 126 O O . ASP A 22 ? 1.6152 1.5422 0.9266 -0.0269 0.2287 -0.0506 49 ASP A O 127 C CB . ASP A 22 ? 1.6071 1.5455 0.9873 -0.0700 0.2677 -0.0235 49 ASP A CB 128 C CG . ASP A 22 ? 1.5765 1.5488 1.0209 -0.0868 0.2812 -0.0284 49 ASP A CG 129 O OD1 . ASP A 22 ? 1.5257 1.5254 1.0212 -0.0829 0.2640 -0.0402 49 ASP A OD1 130 O OD2 . ASP A 22 ? 1.6085 1.5795 1.0509 -0.1043 0.3095 -0.0204 49 ASP A OD2 131 N N . LYS A 23 ? 1.6173 1.5044 0.9082 -0.0322 0.2114 -0.0204 50 LYS A N 132 C CA . LYS A 23 ? 1.6530 1.5140 0.8801 -0.0155 0.1985 -0.0187 50 LYS A CA 133 C C . LYS A 23 ? 1.6031 1.4764 0.8449 -0.0013 0.1650 -0.0355 50 LYS A C 134 O O . LYS A 23 ? 1.5676 1.4610 0.8644 -0.0046 0.1497 -0.0427 50 LYS A O 135 C CB . LYS A 23 ? 1.6919 1.5152 0.8766 -0.0132 0.1934 0.0038 50 LYS A CB 136 C CG . LYS A 23 ? 1.7354 1.5360 0.8969 -0.0283 0.2265 0.0226 50 LYS A CG 137 C CD . LYS A 23 ? 1.8163 1.5935 0.9086 -0.0238 0.2493 0.0279 50 LYS A CD 138 C CE . LYS A 23 ? 1.8629 1.6109 0.9297 -0.0406 0.2825 0.0492 50 LYS A CE 139 N NZ . LYS A 23 ? 1.9472 1.6717 0.9455 -0.0383 0.3098 0.0553 50 LYS A NZ 140 N N . LEU A 24 ? 1.6205 1.4800 0.8106 0.0138 0.1542 -0.0416 51 LEU A N 141 C CA . LEU A 24 ? 1.5815 1.4480 0.7760 0.0268 0.1210 -0.0573 51 LEU A CA 142 C C . LEU A 24 ? 1.6197 1.4595 0.7516 0.0418 0.1040 -0.0488 51 LEU A C 143 O O . LEU A 24 ? 1.6743 1.4962 0.7455 0.0500 0.1150 -0.0473 51 LEU A O 144 C CB . LEU A 24 ? 1.5793 1.4619 0.7771 0.0318 0.1235 -0.0814 51 LEU A CB 145 C CG . LEU A 24 ? 1.5703 1.4565 0.7629 0.0442 0.0925 -0.1015 51 LEU A CG 146 C CD1 . LEU A 24 ? 1.5129 1.4090 0.7526 0.0415 0.0651 -0.1020 51 LEU A CD1 147 C CD2 . LEU A 24 ? 1.5669 1.4675 0.7736 0.0462 0.0990 -0.1254 51 LEU A CD2 148 N N . VAL A 25 ? 1.5788 1.4166 0.7244 0.0466 0.0777 -0.0433 52 VAL A N 149 C CA . VAL A 25 ? 1.6173 1.4346 0.7098 0.0640 0.0560 -0.0368 52 VAL A CA 150 C C . VAL A 25 ? 1.5865 1.4237 0.6910 0.0744 0.0236 -0.0605 52 VAL A C 151 O O . VAL A 25 ? 1.5456 1.4027 0.7029 0.0706 0.0042 -0.0677 52 VAL A O 152 C CB . VAL A 25 ? 1.6147 1.4178 0.7135 0.0649 0.0473 -0.0163 52 VAL A CB 153 C CG1 . VAL A 25 ? 1.6785 1.4519 0.7069 0.0850 0.0340 -0.0043 52 VAL A CG1 154 C CG2 . VAL A 25 ? 1.5951 1.3877 0.7117 0.0474 0.0775 0.0014 52 VAL A CG2 155 N N . CYS A 26 ? 1.6162 1.4478 0.6721 0.0862 0.0189 -0.0733 53 CYS A N 156 C CA . CYS A 26 ? 1.6095 1.4585 0.6724 0.0950 -0.0117 -0.0986 53 CYS A CA 157 C C . CYS A 26 ? 1.6155 1.4675 0.6735 0.1077 -0.0464 -0.0972 53 CYS A C 158 O O . CYS A 26 ? 1.5884 1.4618 0.6725 0.1100 -0.0732 -0.1184 53 CYS A O 159 C CB . CYS A 26 ? 1.6677 1.5083 0.6740 0.1054 -0.0080 -0.1139 53 CYS A CB 160 S SG . CYS A 26 ? 1.6566 1.5071 0.6844 0.0937 0.0223 -0.1300 53 CYS A SG 161 N N . ARG A 27 ? 1.6506 1.4812 0.6754 0.1162 -0.0455 -0.0734 54 ARG A N 162 C CA . ARG A 27 ? 1.6531 1.4876 0.6749 0.1310 -0.0775 -0.0703 54 ARG A CA 163 C C . ARG A 27 ? 1.5474 1.4043 0.6435 0.1201 -0.0868 -0.0693 54 ARG A C 164 O O . ARG A 27 ? 1.5252 1.3994 0.6391 0.1294 -0.1160 -0.0760 54 ARG A O 165 C CB . ARG A 27 ? 1.7391 1.5372 0.6929 0.1473 -0.0734 -0.0446 54 ARG A CB 166 C CG . ARG A 27 ? 1.7898 1.5912 0.7184 0.1712 -0.1106 -0.0469 54 ARG A CG 167 C CD . ARG A 27 ? 1.8795 1.6384 0.7279 0.1915 -0.1071 -0.0219 54 ARG A CD 168 N NE . ARG A 27 ? 1.8725 1.6123 0.7343 0.1901 -0.0986 0.0028 54 ARG A NE 169 C CZ . ARG A 27 ? 1.9365 1.6356 0.7376 0.2077 -0.0969 0.0272 54 ARG A CZ 170 N NH1 . ARG A 27 ? 1.9160 1.5980 0.7362 0.2044 -0.0887 0.0471 54 ARG A NH1 171 N NH2 . ARG A 27 ? 2.0202 1.6925 0.7385 0.2293 -0.1033 0.0321 54 ARG A NH2 172 N N . ASP A 28 ? 1.4806 1.3390 0.6194 0.1012 -0.0623 -0.0614 55 ASP A N 173 C CA . ASP A 28 ? 1.3968 1.2779 0.6071 0.0893 -0.0691 -0.0636 55 ASP A CA 174 C C . ASP A 28 ? 1.3417 1.2526 0.5921 0.0856 -0.0898 -0.0906 55 ASP A C 175 O O . ASP A 28 ? 1.3443 1.2583 0.5891 0.0818 -0.0843 -0.1069 55 ASP A O 176 C CB . ASP A 28 ? 1.3644 1.2432 0.6102 0.0702 -0.0398 -0.0538 55 ASP A CB 177 C CG . ASP A 28 ? 1.3938 1.2457 0.6163 0.0693 -0.0213 -0.0276 55 ASP A CG 178 O OD1 . ASP A 28 ? 1.4733 1.2985 0.6348 0.0825 -0.0203 -0.0154 55 ASP A OD1 179 O OD2 . ASP A 28 ? 1.3476 1.2028 0.6106 0.0553 -0.0077 -0.0194 55 ASP A OD2 180 N N . LYS A 29 ? 1.2822 1.2138 0.5718 0.0867 -0.1126 -0.0958 56 LYS A N 181 C CA . LYS A 29 ? 1.2442 1.2034 0.5732 0.0816 -0.1330 -0.1213 56 LYS A CA 182 C C . LYS A 29 ? 1.1535 1.1308 0.5518 0.0662 -0.1315 -0.1210 56 LYS A C 183 O O . LYS A 29 ? 1.1436 1.1248 0.5593 0.0686 -0.1354 -0.1076 56 LYS A O 184 C CB . LYS A 29 ? 1.2906 1.2631 0.5987 0.0985 -0.1654 -0.1325 56 LYS A CB 185 C CG . LYS A 29 ? 1.3002 1.2972 0.6335 0.0932 -0.1857 -0.1632 56 LYS A CG 186 C CD . LYS A 29 ? 1.3514 1.3616 0.6536 0.1117 -0.2178 -0.1765 56 LYS A CD 187 C CE . LYS A 29 ? 1.4270 1.4156 0.6567 0.1252 -0.2165 -0.1806 56 LYS A CE 188 N NZ . LYS A 29 ? 1.4854 1.4800 0.6710 0.1491 -0.2463 -0.1845 56 LYS A NZ 189 N N . LEU A 30 ? 1.0942 1.0793 0.5281 0.0515 -0.1243 -0.1352 57 LEU A N 190 C CA . LEU A 30 ? 1.0140 1.0146 0.5101 0.0367 -0.1238 -0.1379 57 LEU A CA 191 C C . LEU A 30 ? 1.0020 1.0193 0.5236 0.0302 -0.1412 -0.1646 57 LEU A C 192 O O . LEU A 30 ? 1.0036 1.0140 0.5293 0.0227 -0.1332 -0.1776 57 LEU A O 193 C CB . LEU A 30 ? 0.9796 0.9688 0.4933 0.0250 -0.0972 -0.1288 57 LEU A CB 194 C CG . LEU A 30 ? 0.9256 0.9251 0.4965 0.0107 -0.0933 -0.1291 57 LEU A CG 195 C CD1 . LEU A 30 ? 0.9018 0.9107 0.4937 0.0116 -0.0999 -0.1158 57 LEU A CD1 196 C CD2 . LEU A 30 ? 0.9055 0.8943 0.4865 0.0031 -0.0693 -0.1213 57 LEU A CD2 197 N N . SER A 31 ? 0.9848 1.0241 0.5237 0.0334 -0.1649 -0.1737 58 SER A N 198 C CA . SER A 31 ? 0.9832 1.0404 0.5468 0.0257 -0.1830 -0.2009 58 SER A CA 199 C C . SER A 31 ? 0.9257 0.9966 0.5525 0.0069 -0.1805 -0.2060 58 SER A C 200 O O . SER A 31 ? 0.9180 1.0013 0.5708 -0.0035 -0.1923 -0.2282 58 SER A O 201 C CB . SER A 31 ? 1.0202 1.0980 0.5661 0.0398 -0.2122 -0.2125 58 SER A CB 202 O OG . SER A 31 ? 1.0111 1.1059 0.5765 0.0464 -0.2206 -0.1995 58 SER A OG 203 N N . SER A 32 ? 0.8941 0.9605 0.5436 0.0018 -0.1642 -0.1859 59 SER A N 204 C CA . SER A 32 ? 0.8552 0.9312 0.5590 -0.0148 -0.1593 -0.1876 59 SER A CA 205 C C . SER A 32 ? 0.8242 0.8874 0.5381 -0.0178 -0.1379 -0.1643 59 SER A C 206 O O . SER A 32 ? 0.8253 0.8807 0.5136 -0.0070 -0.1318 -0.1466 59 SER A O 207 C CB . SER A 32 ? 0.8522 0.9604 0.5874 -0.0153 -0.1793 -0.1959 59 SER A CB 208 O OG . SER A 32 ? 0.8256 0.9427 0.6034 -0.0255 -0.1703 -0.1861 59 SER A OG 209 N N . THR A 33 ? 0.8006 0.8597 0.5501 -0.0325 -0.1267 -0.1647 60 THR A N 210 C CA . THR A 33 ? 0.7809 0.8320 0.5449 -0.0358 -0.1096 -0.1448 60 THR A CA 211 C C . THR A 33 ? 0.7677 0.8357 0.5482 -0.0323 -0.1144 -0.1332 60 THR A C 212 O O . THR A 33 ? 0.7388 0.7994 0.5215 -0.0316 -0.1018 -0.1158 60 THR A O 213 C CB . THR A 33 ? 0.7635 0.8047 0.5585 -0.0504 -0.0979 -0.1477 60 THR A CB 214 O OG1 . THR A 33 ? 0.7806 0.8346 0.6069 -0.0621 -0.1080 -0.1633 60 THR A OG1 215 C CG2 . THR A 33 ? 0.7789 0.7988 0.5552 -0.0499 -0.0886 -0.1539 60 THR A CG2 216 N N . ASN A 34 ? 0.7947 0.8866 0.5873 -0.0295 -0.1329 -0.1440 61 ASN A N 217 C CA . ASN A 34 ? 0.7949 0.9050 0.5993 -0.0214 -0.1396 -0.1347 61 ASN A CA 218 C C . ASN A 34 ? 0.7972 0.8946 0.5609 -0.0037 -0.1391 -0.1181 61 ASN A C 219 O O . ASN A 34 ? 0.7971 0.8979 0.5672 0.0025 -0.1374 -0.1053 61 ASN A O 220 C CB . ASN A 34 ? 0.8209 0.9642 0.6476 -0.0199 -0.1618 -0.1528 61 ASN A CB 221 C CG . ASN A 34 ? 0.8209 0.9797 0.6963 -0.0402 -0.1604 -0.1675 61 ASN A CG 222 O OD1 . ASN A 34 ? 0.8074 0.9574 0.7057 -0.0522 -0.1435 -0.1588 61 ASN A OD1 223 N ND2 . ASN A 34 ? 0.8539 1.0353 0.7441 -0.0445 -0.1781 -0.1902 61 ASN A ND2 224 N N . GLN A 35 ? 0.8122 0.8929 0.5327 0.0043 -0.1397 -0.1185 62 GLN A N 225 C CA . GLN A 35 ? 0.8246 0.8864 0.5015 0.0191 -0.1352 -0.1012 62 GLN A CA 226 C C . GLN A 35 ? 0.7980 0.8382 0.4724 0.0129 -0.1117 -0.0829 62 GLN A C 227 O O . GLN A 35 ? 0.8047 0.8281 0.4501 0.0218 -0.1055 -0.0671 62 GLN A O 228 C CB . GLN A 35 ? 0.8648 0.9141 0.4931 0.0286 -0.1402 -0.1070 62 GLN A CB 229 C CG . GLN A 35 ? 0.8945 0.9634 0.5132 0.0399 -0.1665 -0.1232 62 GLN A CG 230 C CD . GLN A 35 ? 0.9463 0.9995 0.5098 0.0507 -0.1704 -0.1278 62 GLN A CD 231 O OE1 . GLN A 35 ? 0.9663 1.0294 0.5273 0.0489 -0.1828 -0.1486 62 GLN A OE1 232 N NE2 . GLN A 35 ? 0.9711 0.9977 0.4884 0.0611 -0.1586 -0.1088 62 GLN A NE2 233 N N . LEU A 36 ? 0.7652 0.8045 0.4681 -0.0019 -0.0993 -0.0856 63 LEU A N 234 C CA . LEU A 36 ? 0.7485 0.7731 0.4552 -0.0081 -0.0796 -0.0711 63 LEU A CA 235 C C . LEU A 36 ? 0.7259 0.7593 0.4651 -0.0119 -0.0782 -0.0636 63 LEU A C 236 O O . LEU A 36 ? 0.7112 0.7610 0.4836 -0.0185 -0.0843 -0.0726 63 LEU A O 237 C CB . LEU A 36 ? 0.7370 0.7557 0.4538 -0.0185 -0.0681 -0.0780 63 LEU A CB 238 C CG . LEU A 36 ? 0.7666 0.7758 0.4500 -0.0141 -0.0660 -0.0856 63 LEU A CG 239 C CD1 . LEU A 36 ? 0.7569 0.7628 0.4546 -0.0219 -0.0588 -0.0970 63 LEU A CD1 240 C CD2 . LEU A 36 ? 0.7854 0.7792 0.4345 -0.0087 -0.0526 -0.0713 63 LEU A CD2 241 N N . ARG A 37 ? 0.7331 0.7542 0.4613 -0.0084 -0.0692 -0.0479 64 ARG A N 242 C CA . ARG A 37 ? 0.7288 0.7553 0.4820 -0.0103 -0.0667 -0.0404 64 ARG A CA 243 C C . ARG A 37 ? 0.6956 0.7058 0.4460 -0.0160 -0.0498 -0.0280 64 ARG A C 244 O O . ARG A 37 ? 0.7078 0.7009 0.4301 -0.0141 -0.0414 -0.0204 64 ARG A O 245 C CB . ARG A 37 ? 0.7753 0.8056 0.5185 0.0038 -0.0781 -0.0357 64 ARG A CB 246 C CG . ARG A 37 ? 0.8226 0.8795 0.5839 0.0088 -0.0969 -0.0497 64 ARG A CG 247 C CD . ARG A 37 ? 0.8248 0.9039 0.6331 -0.0007 -0.0965 -0.0559 64 ARG A CD 248 N NE . ARG A 37 ? 0.8521 0.9532 0.6833 -0.0079 -0.1072 -0.0740 64 ARG A NE 249 C CZ . ARG A 37 ? 0.8938 1.0168 0.7277 0.0004 -0.1261 -0.0861 64 ARG A CZ 250 N NH1 . ARG A 37 ? 0.9326 1.0580 0.7451 0.0194 -0.1377 -0.0809 64 ARG A NH1 251 N NH2 . ARG A 37 ? 0.9082 1.0500 0.7658 -0.0098 -0.1343 -0.1043 64 ARG A NH2 252 N N . SER A 38 ? 0.6515 0.6677 0.4311 -0.0235 -0.0446 -0.0266 65 SER A N 253 C CA . SER A 38 ? 0.6432 0.6479 0.4241 -0.0280 -0.0319 -0.0163 65 SER A CA 254 C C . SER A 38 ? 0.6382 0.6451 0.4275 -0.0226 -0.0347 -0.0104 65 SER A C 255 O O . SER A 38 ? 0.6194 0.6433 0.4307 -0.0212 -0.0423 -0.0160 65 SER A O 256 C CB . SER A 38 ? 0.6182 0.6262 0.4212 -0.0383 -0.0243 -0.0193 65 SER A CB 257 O OG . SER A 38 ? 0.6079 0.6289 0.4363 -0.0418 -0.0299 -0.0264 65 SER A OG 258 N N . VAL A 39 ? 0.6449 0.6345 0.4172 -0.0201 -0.0278 -0.0002 66 VAL A N 259 C CA . VAL A 39 ? 0.6534 0.6394 0.4267 -0.0123 -0.0300 0.0054 66 VAL A CA 260 C C . VAL A 39 ? 0.6363 0.6081 0.4100 -0.0189 -0.0179 0.0122 66 VAL A C 261 O O . VAL A 39 ? 0.6348 0.5921 0.3935 -0.0252 -0.0090 0.0160 66 VAL A O 262 C CB . VAL A 39 ? 0.6993 0.6706 0.4414 0.0016 -0.0362 0.0112 66 VAL A CB 263 C CG1 . VAL A 39 ? 0.7153 0.6847 0.4611 0.0131 -0.0406 0.0151 66 VAL A CG1 264 C CG2 . VAL A 39 ? 0.7219 0.7061 0.4570 0.0087 -0.0494 0.0035 66 VAL A CG2 265 N N . GLY A 40 ? 0.6147 0.5922 0.4059 -0.0177 -0.0175 0.0124 67 GLY A N 266 C CA . GLY A 40 ? 0.6094 0.5730 0.3990 -0.0224 -0.0081 0.0173 67 GLY A CA 267 C C . GLY A 40 ? 0.6321 0.5766 0.4033 -0.0119 -0.0086 0.0235 67 GLY A C 268 O O . GLY A 40 ? 0.6279 0.5801 0.4035 0.0003 -0.0166 0.0225 67 GLY A O 269 N N . LEU A 41 ? 0.6550 0.5743 0.4062 -0.0167 -0.0001 0.0292 68 LEU A N 270 C CA . LEU A 41 ? 0.6866 0.5785 0.4158 -0.0080 0.0014 0.0358 68 LEU A CA 271 C C . LEU A 41 ? 0.6771 0.5564 0.4101 -0.0159 0.0100 0.0355 68 LEU A C 272 O O . LEU A 41 ? 0.6660 0.5469 0.4050 -0.0302 0.0170 0.0332 68 LEU A O 273 C CB . LEU A 41 ? 0.7251 0.5903 0.4206 -0.0075 0.0052 0.0433 68 LEU A CB 274 C CG . LEU A 41 ? 0.7507 0.6181 0.4286 0.0049 -0.0043 0.0453 68 LEU A CG 275 C CD1 . LEU A 41 ? 0.7583 0.6365 0.4422 0.0242 -0.0181 0.0436 68 LEU A CD1 276 C CD2 . LEU A 41 ? 0.7337 0.6267 0.4251 -0.0025 -0.0068 0.0382 68 LEU A CD2 277 N N . ASN A 42 ? 0.6877 0.5544 0.4163 -0.0054 0.0088 0.0368 69 ASN A N 278 C CA . ASN A 42 ? 0.6861 0.5427 0.4187 -0.0107 0.0153 0.0342 69 ASN A CA 279 C C . ASN A 42 ? 0.7213 0.5407 0.4291 -0.0179 0.0239 0.0383 69 ASN A C 280 O O . ASN A 42 ? 0.7528 0.5450 0.4352 -0.0096 0.0241 0.0454 69 ASN A O 281 C CB . ASN A 42 ? 0.6892 0.5500 0.4291 0.0048 0.0112 0.0321 69 ASN A CB 282 C CG . ASN A 42 ? 0.6583 0.5572 0.4264 0.0089 0.0053 0.0270 69 ASN A CG 283 O OD1 . ASN A 42 ? 0.6362 0.5548 0.4196 -0.0022 0.0059 0.0242 69 ASN A OD1 284 N ND2 . ASN A 42 ? 0.6615 0.5707 0.4375 0.0250 0.0001 0.0254 69 ASN A ND2 285 N N . LEU A 43 ? 0.7157 0.5331 0.4299 -0.0334 0.0307 0.0335 70 LEU A N 286 C CA . LEU A 43 ? 0.7572 0.5408 0.4528 -0.0443 0.0400 0.0346 70 LEU A CA 287 C C . LEU A 43 ? 0.7940 0.5416 0.4685 -0.0326 0.0411 0.0377 70 LEU A C 288 O O . LEU A 43 ? 0.8287 0.5385 0.4787 -0.0373 0.0486 0.0425 70 LEU A O 289 C CB . LEU A 43 ? 0.7513 0.5452 0.4626 -0.0608 0.0439 0.0255 70 LEU A CB 290 C CG . LEU A 43 ? 0.7358 0.5582 0.4654 -0.0745 0.0449 0.0213 70 LEU A CG 291 C CD1 . LEU A 43 ? 0.7364 0.5620 0.4762 -0.0889 0.0477 0.0117 70 LEU A CD1 292 C CD2 . LEU A 43 ? 0.7503 0.5657 0.4690 -0.0813 0.0513 0.0268 70 LEU A CD2 293 N N . GLU A 44 ? 0.7960 0.5541 0.4800 -0.0180 0.0352 0.0343 71 GLU A N 294 C CA . GLU A 44 ? 0.8347 0.5655 0.5014 0.0003 0.0337 0.0371 71 GLU A CA 295 C C . GLU A 44 ? 0.8500 0.5494 0.4873 0.0106 0.0332 0.0480 71 GLU A C 296 O O . GLU A 44 ? 0.8809 0.5361 0.4917 0.0152 0.0382 0.0520 71 GLU A O 297 C CB . GLU A 44 ? 0.8358 0.5983 0.5224 0.0181 0.0254 0.0340 71 GLU A CB 298 C CG . GLU A 44 ? 0.8500 0.6226 0.5505 0.0188 0.0278 0.0253 71 GLU A CG 299 C CD . GLU A 44 ? 0.8550 0.6532 0.5723 0.0381 0.0226 0.0228 71 GLU A CD 300 O OE1 . GLU A 44 ? 0.8457 0.6682 0.5747 0.0463 0.0152 0.0254 71 GLU A OE1 301 O OE2 . GLU A 44 ? 0.8901 0.6854 0.6096 0.0444 0.0263 0.0168 71 GLU A OE2 302 N N . GLY A 45 ? 0.8177 0.5385 0.4578 0.0154 0.0268 0.0525 72 GLY A N 303 C CA . GLY A 45 ? 0.8486 0.5444 0.4582 0.0282 0.0239 0.0631 72 GLY A CA 304 C C . GLY A 45 ? 0.8746 0.5282 0.4525 0.0145 0.0361 0.0713 72 GLY A C 305 O O . GLY A 45 ? 0.9191 0.5417 0.4634 0.0264 0.0357 0.0819 72 GLY A O 306 N N . ASN A 46 ? 0.8556 0.5094 0.4438 -0.0100 0.0471 0.0663 73 ASN A N 307 C CA . ASN A 46 ? 0.8992 0.5149 0.4630 -0.0277 0.0620 0.0717 73 ASN A CA 308 C C . ASN A 46 ? 0.9416 0.5153 0.4931 -0.0347 0.0709 0.0695 73 ASN A C 309 O O . ASN A 46 ? 0.9810 0.5221 0.5157 -0.0531 0.0849 0.0722 73 ASN A O 310 C CB . ASN A 46 ? 0.8644 0.5106 0.4506 -0.0515 0.0688 0.0657 73 ASN A CB 311 C CG . ASN A 46 ? 0.8290 0.5140 0.4273 -0.0455 0.0607 0.0661 73 ASN A CG 312 O OD1 . ASN A 46 ? 0.8328 0.5144 0.4142 -0.0271 0.0525 0.0730 73 ASN A OD1 313 N ND2 . ASN A 46 ? 0.7962 0.5183 0.4237 -0.0597 0.0617 0.0577 73 ASN A ND2 314 N N . GLY A 47 ? 0.9438 0.5182 0.5038 -0.0212 0.0638 0.0634 74 GLY A N 315 C CA . GLY A 47 ? 0.9841 0.5149 0.5288 -0.0234 0.0706 0.0601 74 GLY A CA 316 C C . GLY A 47 ? 0.9661 0.5090 0.5336 -0.0450 0.0752 0.0457 74 GLY A C 317 O O . GLY A 47 ? 1.0038 0.5074 0.5571 -0.0527 0.0826 0.0414 74 GLY A O 318 N N . VAL A 48 ? 0.9204 0.5151 0.5210 -0.0538 0.0701 0.0376 75 VAL A N 319 C CA . VAL A 48 ? 0.9119 0.5214 0.5327 -0.0719 0.0719 0.0234 75 VAL A CA 320 C C . VAL A 48 ? 0.9151 0.5199 0.5369 -0.0584 0.0668 0.0151 75 VAL A C 321 O O . VAL A 48 ? 0.9085 0.5230 0.5309 -0.0359 0.0599 0.0186 75 VAL A O 322 C CB . VAL A 48 ? 0.8637 0.5272 0.5163 -0.0825 0.0673 0.0177 75 VAL A CB 323 C CG1 . VAL A 48 ? 0.8639 0.5343 0.5159 -0.0938 0.0732 0.0247 75 VAL A CG1 324 C CG2 . VAL A 48 ? 0.8312 0.5317 0.5007 -0.0644 0.0563 0.0176 75 VAL A CG2 325 N N . ALA A 49 ? 0.9240 0.5151 0.5465 -0.0726 0.0704 0.0031 76 ALA A N 326 C CA . ALA A 49 ? 0.9275 0.5142 0.5490 -0.0614 0.0667 -0.0068 76 ALA A CA 327 C C . ALA A 49 ? 0.8744 0.5127 0.5201 -0.0519 0.0580 -0.0102 76 ALA A C 328 O O . ALA A 49 ? 0.8410 0.5149 0.5066 -0.0642 0.0550 -0.0134 76 ALA A O 329 C CB . ALA A 49 ? 0.9485 0.5146 0.5667 -0.0814 0.0711 -0.0212 76 ALA A CB 330 N N . THR A 50 ? 0.8743 0.5152 0.5178 -0.0295 0.0549 -0.0094 77 THR A N 331 C CA . THR A 50 ? 0.8380 0.5236 0.5024 -0.0195 0.0495 -0.0109 77 THR A CA 332 C C . THR A 50 ? 0.8464 0.5375 0.5111 -0.0157 0.0498 -0.0228 77 THR A C 333 O O . THR A 50 ? 0.8135 0.5399 0.4934 -0.0111 0.0475 -0.0241 77 THR A O 334 C CB . THR A 50 ? 0.8335 0.5291 0.5012 0.0028 0.0463 -0.0020 77 THR A CB 335 O OG1 . THR A 50 ? 0.8678 0.5284 0.5164 0.0202 0.0485 -0.0026 77 THR A OG1 336 C CG2 . THR A 50 ? 0.8275 0.5260 0.4950 0.0003 0.0440 0.0091 77 THR A CG2 337 N N . ASP A 51 ? 0.8868 0.5410 0.5324 -0.0174 0.0535 -0.0316 78 ASP A N 338 C CA . ASP A 51 ? 0.9010 0.5578 0.5425 -0.0161 0.0537 -0.0450 78 ASP A CA 339 C C . ASP A 51 ? 0.8728 0.5637 0.5280 -0.0318 0.0490 -0.0508 78 ASP A C 340 O O . ASP A 51 ? 0.8559 0.5549 0.5201 -0.0491 0.0466 -0.0495 78 ASP A O 341 C CB . ASP A 51 ? 0.9538 0.5620 0.5717 -0.0200 0.0577 -0.0556 78 ASP A CB 342 C CG . ASP A 51 ? 0.9812 0.5698 0.5963 -0.0457 0.0587 -0.0590 78 ASP A CG 343 O OD1 . ASP A 51 ? 0.9979 0.5945 0.6161 -0.0617 0.0558 -0.0723 78 ASP A OD1 344 O OD2 . ASP A 51 ? 0.9981 0.5647 0.6078 -0.0501 0.0625 -0.0487 78 ASP A OD2 345 N N . VAL A 52 ? 0.8625 0.5730 0.5180 -0.0241 0.0481 -0.0569 79 VAL A N 346 C CA . VAL A 52 ? 0.8382 0.5798 0.5021 -0.0337 0.0427 -0.0610 79 VAL A CA 347 C C . VAL A 52 ? 0.8503 0.5851 0.5119 -0.0539 0.0374 -0.0723 79 VAL A C 348 O O . VAL A 52 ? 0.8340 0.5948 0.5103 -0.0646 0.0319 -0.0710 79 VAL A O 349 C CB . VAL A 52 ? 0.8384 0.5935 0.4944 -0.0207 0.0447 -0.0656 79 VAL A CB 350 C CG1 . VAL A 52 ? 0.8309 0.6058 0.4842 -0.0292 0.0381 -0.0723 79 VAL A CG1 351 C CG2 . VAL A 52 ? 0.8119 0.5907 0.4819 -0.0070 0.0494 -0.0537 79 VAL A CG2 352 N N . PRO A 53 ? 0.8884 0.5895 0.5333 -0.0590 0.0389 -0.0847 80 PRO A N 353 C CA . PRO A 53 ? 0.9057 0.6044 0.5533 -0.0807 0.0337 -0.0976 80 PRO A CA 354 C C . PRO A 53 ? 0.8988 0.6013 0.5636 -0.0977 0.0351 -0.0908 80 PRO A C 355 O O . PRO A 53 ? 0.8970 0.6248 0.5775 -0.1125 0.0292 -0.0969 80 PRO A O 356 C CB . PRO A 53 ? 0.9527 0.6076 0.5784 -0.0829 0.0372 -0.1112 80 PRO A CB 357 C CG . PRO A 53 ? 0.9612 0.6068 0.5712 -0.0591 0.0416 -0.1091 80 PRO A CG 358 C CD . PRO A 53 ? 0.9235 0.5902 0.5474 -0.0456 0.0448 -0.0902 80 PRO A CD 359 N N . SER A 54 ? 0.9021 0.5811 0.5631 -0.0941 0.0429 -0.0785 81 SER A N 360 C CA . SER A 54 ? 0.8910 0.5711 0.5636 -0.1086 0.0467 -0.0704 81 SER A CA 361 C C . SER A 54 ? 0.8486 0.5728 0.5421 -0.1056 0.0424 -0.0605 81 SER A C 362 O O . SER A 54 ? 0.8355 0.5797 0.5455 -0.1209 0.0414 -0.0618 81 SER A O 363 C CB . SER A 54 ? 0.9136 0.5528 0.5694 -0.1019 0.0556 -0.0587 81 SER A CB 364 O OG . SER A 54 ? 0.9567 0.5488 0.5912 -0.1049 0.0606 -0.0674 81 SER A OG 365 N N . ALA A 55 ? 0.8302 0.5693 0.5242 -0.0863 0.0405 -0.0517 82 ALA A N 366 C CA . ALA A 55 ? 0.7913 0.5669 0.5030 -0.0825 0.0370 -0.0424 82 ALA A CA 367 C C . ALA A 55 ? 0.7767 0.5855 0.5024 -0.0902 0.0296 -0.0497 82 ALA A C 368 O O . ALA A 55 ? 0.7684 0.5996 0.5102 -0.0973 0.0277 -0.0463 82 ALA A O 369 C CB . ALA A 55 ? 0.7768 0.5610 0.4876 -0.0624 0.0373 -0.0342 82 ALA A CB 370 N N . THR A 56 ? 0.7807 0.5918 0.4983 -0.0873 0.0250 -0.0600 83 THR A N 371 C CA . THR A 56 ? 0.7660 0.6072 0.4917 -0.0901 0.0159 -0.0665 83 THR A CA 372 C C . THR A 56 ? 0.7705 0.6230 0.5102 -0.1087 0.0111 -0.0773 83 THR A C 373 O O . THR A 56 ? 0.7518 0.6347 0.5046 -0.1099 0.0031 -0.0799 83 THR A O 374 C CB . THR A 56 ? 0.7817 0.6203 0.4893 -0.0809 0.0119 -0.0752 83 THR A CB 375 O OG1 . THR A 56 ? 0.8086 0.6195 0.5022 -0.0873 0.0130 -0.0883 83 THR A OG1 376 C CG2 . THR A 56 ? 0.7784 0.6153 0.4773 -0.0632 0.0180 -0.0649 83 THR A CG2 377 N N . LYS A 57 ? 0.8054 0.6333 0.5430 -0.1228 0.0165 -0.0839 84 LYS A N 378 C CA . LYS A 57 ? 0.8159 0.6559 0.5716 -0.1439 0.0151 -0.0945 84 LYS A CA 379 C C . LYS A 57 ? 0.7874 0.6481 0.5633 -0.1496 0.0193 -0.0849 84 LYS A C 380 O O . LYS A 57 ? 0.7843 0.6683 0.5811 -0.1644 0.0173 -0.0938 84 LYS A O 381 C CB . LYS A 57 ? 0.8690 0.6716 0.6153 -0.1598 0.0228 -0.1034 84 LYS A CB 382 C CG . LYS A 57 ? 0.9132 0.7010 0.6441 -0.1596 0.0166 -0.1199 84 LYS A CG 383 C CD . LYS A 57 ? 0.9706 0.7124 0.6882 -0.1736 0.0256 -0.1279 84 LYS A CD 384 C CE . LYS A 57 ? 1.0116 0.7318 0.7064 -0.1660 0.0207 -0.1414 84 LYS A CE 385 N NZ . LYS A 57 ? 1.0682 0.7476 0.7532 -0.1841 0.0262 -0.1562 84 LYS A NZ 386 N N . ARG A 58 ? 0.7614 0.6155 0.5321 -0.1379 0.0249 -0.0684 85 ARG A N 387 C CA . ARG A 58 ? 0.7329 0.6066 0.5190 -0.1400 0.0281 -0.0594 85 ARG A CA 388 C C . ARG A 58 ? 0.6947 0.6064 0.4955 -0.1307 0.0187 -0.0585 85 ARG A C 389 O O . ARG A 58 ? 0.6834 0.6136 0.4982 -0.1321 0.0205 -0.0536 85 ARG A O 390 C CB . ARG A 58 ? 0.7331 0.5847 0.5061 -0.1306 0.0360 -0.0437 85 ARG A CB 391 C CG . ARG A 58 ? 0.7730 0.5827 0.5283 -0.1380 0.0460 -0.0417 85 ARG A CG 392 C CD . ARG A 58 ? 0.7785 0.5712 0.5214 -0.1283 0.0520 -0.0261 85 ARG A CD 393 N NE . ARG A 58 ? 0.7719 0.5598 0.5050 -0.1071 0.0476 -0.0193 85 ARG A NE 394 C CZ . ARG A 58 ? 0.8025 0.5583 0.5164 -0.0971 0.0497 -0.0176 85 ARG A CZ 395 N NH1 . ARG A 58 ? 0.7884 0.5494 0.4998 -0.0778 0.0459 -0.0127 85 ARG A NH1 396 N NH2 . ARG A 58 ? 0.8455 0.5636 0.5435 -0.1061 0.0563 -0.0215 85 ARG A NH2 397 N N . TRP A 59 ? 0.6835 0.6036 0.4780 -0.1201 0.0097 -0.0626 86 TRP A N 398 C CA . TRP A 59 ? 0.6522 0.6012 0.4549 -0.1096 0.0012 -0.0603 86 TRP A CA 399 C C . TRP A 59 ? 0.6568 0.6278 0.4669 -0.1132 -0.0103 -0.0749 86 TRP A C 400 O O . TRP A 59 ? 0.6866 0.6479 0.4890 -0.1197 -0.0132 -0.0868 86 TRP A O 401 C CB . TRP A 59 ? 0.6487 0.5896 0.4356 -0.0928 0.0011 -0.0507 86 TRP A CB 402 C CG . TRP A 59 ? 0.6509 0.5698 0.4300 -0.0886 0.0106 -0.0404 86 TRP A CG 403 C CD1 . TRP A 59 ? 0.6456 0.5575 0.4302 -0.0933 0.0171 -0.0338 86 TRP A CD1 404 C CD2 . TRP A 59 ? 0.6609 0.5642 0.4249 -0.0772 0.0141 -0.0362 86 TRP A CD2 405 N NE1 . TRP A 59 ? 0.6596 0.5526 0.4333 -0.0845 0.0222 -0.0261 86 TRP A NE1 406 C CE2 . TRP A 59 ? 0.6664 0.5557 0.4299 -0.0747 0.0209 -0.0278 86 TRP A CE2 407 C CE3 . TRP A 59 ? 0.6731 0.5738 0.4230 -0.0681 0.0125 -0.0390 86 TRP A CE3 408 C CZ2 . TRP A 59 ? 0.6735 0.5501 0.4277 -0.0628 0.0252 -0.0233 86 TRP A CZ2 409 C CZ3 . TRP A 59 ? 0.6831 0.5701 0.4231 -0.0578 0.0193 -0.0343 86 TRP A CZ3 410 C CH2 . TRP A 59 ? 0.6824 0.5594 0.4270 -0.0551 0.0251 -0.0270 86 TRP A CH2 411 N N . GLY A 60 ? 0.6301 0.6306 0.4547 -0.1081 -0.0177 -0.0751 87 GLY A N 412 C CA . GLY A 60 ? 0.6273 0.6551 0.4621 -0.1087 -0.0311 -0.0893 87 GLY A CA 413 C C . GLY A 60 ? 0.6135 0.6641 0.4525 -0.0929 -0.0401 -0.0841 87 GLY A C 414 O O . GLY A 60 ? 0.5849 0.6360 0.4289 -0.0874 -0.0343 -0.0722 87 GLY A O 415 N N . PHE A 61 ? 0.6238 0.6911 0.4585 -0.0850 -0.0548 -0.0936 88 PHE A N 416 C CA . PHE A 61 ? 0.6262 0.7103 0.4588 -0.0669 -0.0652 -0.0888 88 PHE A CA 417 C C . PHE A 61 ? 0.6114 0.7331 0.4757 -0.0686 -0.0729 -0.0987 88 PHE A C 418 O O . PHE A 61 ? 0.6171 0.7599 0.5025 -0.0823 -0.0768 -0.1150 88 PHE A O 419 C CB . PHE A 61 ? 0.6591 0.7388 0.4637 -0.0533 -0.0778 -0.0922 88 PHE A CB 420 C CG . PHE A 61 ? 0.6767 0.7227 0.4496 -0.0469 -0.0686 -0.0800 88 PHE A CG 421 C CD1 . PHE A 61 ? 0.6908 0.7168 0.4517 -0.0559 -0.0624 -0.0854 88 PHE A CD1 422 C CD2 . PHE A 61 ? 0.6792 0.7131 0.4356 -0.0323 -0.0647 -0.0637 88 PHE A CD2 423 C CE1 . PHE A 61 ? 0.7030 0.7021 0.4381 -0.0490 -0.0528 -0.0752 88 PHE A CE1 424 C CE2 . PHE A 61 ? 0.6882 0.6953 0.4197 -0.0281 -0.0542 -0.0535 88 PHE A CE2 425 C CZ . PHE A 61 ? 0.6981 0.6901 0.4201 -0.0357 -0.0482 -0.0594 88 PHE A CZ 426 N N . ARG A 62 ? 0.5960 0.7262 0.4643 -0.0546 -0.0747 -0.0896 89 ARG A N 427 C CA . ARG A 62 ? 0.5813 0.7475 0.4806 -0.0528 -0.0803 -0.0979 89 ARG A CA 428 C C . ARG A 62 ? 0.5765 0.7440 0.4661 -0.0292 -0.0881 -0.0884 89 ARG A C 429 O O . ARG A 62 ? 0.5715 0.7098 0.4397 -0.0216 -0.0806 -0.0723 89 ARG A O 430 C CB . ARG A 62 ? 0.5680 0.7362 0.4898 -0.0689 -0.0637 -0.0959 89 ARG A CB 431 C CG . ARG A 62 ? 0.5558 0.7565 0.5076 -0.0657 -0.0637 -0.1008 89 ARG A CG 432 C CD . ARG A 62 ? 0.5613 0.8052 0.5441 -0.0721 -0.0737 -0.1213 89 ARG A CD 433 N NE . ARG A 62 ? 0.5548 0.8344 0.5669 -0.0639 -0.0754 -0.1270 89 ARG A NE 434 C CZ . ARG A 62 ? 0.5367 0.8282 0.5714 -0.0751 -0.0603 -0.1280 89 ARG A CZ 435 N NH1 . ARG A 62 ? 0.5297 0.8558 0.5904 -0.0644 -0.0631 -0.1347 89 ARG A NH1 436 N NH2 . ARG A 62 ? 0.5299 0.7983 0.5595 -0.0951 -0.0423 -0.1223 89 ARG A NH2 437 N N . SER A 63 ? 0.5781 0.7790 0.4842 -0.0178 -0.1029 -0.0990 90 SER A N 438 C CA . SER A 63 ? 0.5837 0.7862 0.4830 0.0061 -0.1107 -0.0912 90 SER A CA 439 C C . SER A 63 ? 0.5615 0.7910 0.4952 0.0064 -0.1065 -0.0959 90 SER A C 440 O O . SER A 63 ? 0.5452 0.8002 0.5099 -0.0112 -0.1001 -0.1077 90 SER A O 441 C CB . SER A 63 ? 0.6071 0.8259 0.4947 0.0250 -0.1330 -0.0992 90 SER A CB 442 O OG . SER A 63 ? 0.6315 0.8204 0.4805 0.0278 -0.1352 -0.0926 90 SER A OG 443 N N . GLY A 64 ? 0.5642 0.7855 0.4904 0.0264 -0.1086 -0.0866 91 GLY A N 444 C CA . GLY A 64 ? 0.5562 0.8021 0.5118 0.0316 -0.1056 -0.0917 91 GLY A CA 445 C C . GLY A 64 ? 0.5407 0.7678 0.4999 0.0203 -0.0859 -0.0830 91 GLY A C 446 O O . GLY A 64 ? 0.5366 0.7774 0.5133 0.0274 -0.0824 -0.0856 91 GLY A O 447 N N . VAL A 65 ? 0.5357 0.7327 0.4780 0.0045 -0.0738 -0.0736 92 VAL A N 448 C CA . VAL A 65 ? 0.5245 0.7039 0.4675 -0.0062 -0.0570 -0.0660 92 VAL A CA 449 C C . VAL A 65 ? 0.5366 0.6750 0.4496 0.0013 -0.0534 -0.0496 92 VAL A C 450 O O . VAL A 65 ? 0.5399 0.6564 0.4324 -0.0034 -0.0521 -0.0427 92 VAL A O 451 C CB . VAL A 65 ? 0.5149 0.6930 0.4638 -0.0303 -0.0457 -0.0688 92 VAL A CB 452 C CG1 . VAL A 65 ? 0.5105 0.6699 0.4559 -0.0389 -0.0302 -0.0606 92 VAL A CG1 453 C CG2 . VAL A 65 ? 0.5139 0.7313 0.4940 -0.0413 -0.0470 -0.0856 92 VAL A CG2 454 N N . PRO A 66 ? 0.5488 0.6769 0.4601 0.0125 -0.0508 -0.0444 93 PRO A N 455 C CA . PRO A 66 ? 0.5653 0.6548 0.4514 0.0163 -0.0458 -0.0303 93 PRO A CA 456 C C . PRO A 66 ? 0.5535 0.6266 0.4352 -0.0014 -0.0333 -0.0247 93 PRO A C 457 O O . PRO A 66 ? 0.5462 0.6312 0.4427 -0.0126 -0.0261 -0.0297 93 PRO A O 458 C CB . PRO A 66 ? 0.5722 0.6571 0.4629 0.0287 -0.0447 -0.0299 93 PRO A CB 459 C CG . PRO A 66 ? 0.5719 0.6931 0.4860 0.0381 -0.0525 -0.0427 93 PRO A CG 460 C CD . PRO A 66 ? 0.5538 0.7045 0.4864 0.0220 -0.0519 -0.0525 93 PRO A CD 461 N N . PRO A 67 ? 0.5661 0.6129 0.4270 -0.0031 -0.0304 -0.0146 94 PRO A N 462 C CA . PRO A 67 ? 0.5600 0.5947 0.4192 -0.0170 -0.0201 -0.0104 94 PRO A CA 463 C C . PRO A 67 ? 0.5534 0.5803 0.4181 -0.0190 -0.0134 -0.0087 94 PRO A C 464 O O . PRO A 67 ? 0.5595 0.5810 0.4242 -0.0092 -0.0152 -0.0083 94 PRO A O 465 C CB . PRO A 67 ? 0.5722 0.5845 0.4105 -0.0155 -0.0185 -0.0011 94 PRO A CB 466 C CG . PRO A 67 ? 0.5983 0.6011 0.4232 -0.0002 -0.0251 0.0028 94 PRO A CG 467 C CD . PRO A 67 ? 0.5941 0.6225 0.4318 0.0078 -0.0356 -0.0070 94 PRO A CD 468 N N . LYS A 68 ? 0.5389 0.5642 0.4066 -0.0306 -0.0064 -0.0083 95 LYS A N 469 C CA . LYS A 68 ? 0.5351 0.5548 0.4061 -0.0331 -0.0014 -0.0084 95 LYS A CA 470 C C . LYS A 68 ? 0.5396 0.5479 0.4050 -0.0413 0.0032 -0.0036 95 LYS A C 471 O O . LYS A 68 ? 0.5346 0.5443 0.3971 -0.0469 0.0044 -0.0024 95 LYS A O 472 C CB . LYS A 68 ? 0.5258 0.5640 0.4088 -0.0363 0.0011 -0.0164 95 LYS A CB 473 C CG . LYS A 68 ? 0.5276 0.5824 0.4218 -0.0263 -0.0029 -0.0233 95 LYS A CG 474 C CD . LYS A 68 ? 0.5380 0.5797 0.4290 -0.0157 -0.0038 -0.0229 95 LYS A CD 475 C CE . LYS A 68 ? 0.5454 0.5983 0.4436 -0.0005 -0.0103 -0.0278 95 LYS A CE 476 N NZ . LYS A 68 ? 0.5376 0.6233 0.4555 -0.0015 -0.0090 -0.0384 95 LYS A NZ 477 N N . VAL A 69 ? 0.5516 0.5490 0.4162 -0.0415 0.0052 -0.0020 96 VAL A N 478 C CA . VAL A 69 ? 0.5485 0.5390 0.4115 -0.0477 0.0081 0.0009 96 VAL A CA 479 C C . VAL A 69 ? 0.5458 0.5377 0.4122 -0.0503 0.0086 -0.0036 96 VAL A C 480 O O . VAL A 69 ? 0.5465 0.5357 0.4147 -0.0469 0.0080 -0.0078 96 VAL A O 481 C CB . VAL A 69 ? 0.5577 0.5340 0.4172 -0.0469 0.0100 0.0065 96 VAL A CB 482 C CG1 . VAL A 69 ? 0.5518 0.5271 0.4162 -0.0535 0.0130 0.0072 96 VAL A CG1 483 C CG2 . VAL A 69 ? 0.5702 0.5439 0.4209 -0.0435 0.0097 0.0113 96 VAL A CG2 484 N N . VAL A 70 ? 0.5409 0.5358 0.4058 -0.0547 0.0091 -0.0034 97 VAL A N 485 C CA . VAL A 70 ? 0.5434 0.5399 0.4072 -0.0561 0.0079 -0.0079 97 VAL A CA 486 C C . VAL A 70 ? 0.5485 0.5451 0.4140 -0.0584 0.0059 -0.0064 97 VAL A C 487 O O . VAL A 70 ? 0.5429 0.5403 0.4070 -0.0585 0.0068 -0.0019 97 VAL A O 488 C CB . VAL A 70 ? 0.5441 0.5466 0.4006 -0.0566 0.0100 -0.0101 97 VAL A CB 489 C CG1 . VAL A 70 ? 0.5514 0.5536 0.4020 -0.0593 0.0120 -0.0052 97 VAL A CG1 490 C CG2 . VAL A 70 ? 0.5510 0.5533 0.4008 -0.0562 0.0083 -0.0147 97 VAL A CG2 491 N N . ASN A 71 ? 0.5621 0.5591 0.4321 -0.0599 0.0028 -0.0116 98 ASN A N 492 C CA . ASN A 71 ? 0.5681 0.5713 0.4448 -0.0615 -0.0003 -0.0123 98 ASN A CA 493 C C . ASN A 71 ? 0.5550 0.5635 0.4214 -0.0576 -0.0048 -0.0128 98 ASN A C 494 O O . ASN A 71 ? 0.5490 0.5545 0.4020 -0.0557 -0.0043 -0.0135 98 ASN A O 495 C CB . ASN A 71 ? 0.5905 0.5940 0.4795 -0.0665 -0.0023 -0.0191 98 ASN A CB 496 C CG . ASN A 71 ? 0.6192 0.6254 0.5039 -0.0659 -0.0086 -0.0282 98 ASN A CG 497 O OD1 . ASN A 71 ? 0.6568 0.6575 0.5302 -0.0629 -0.0078 -0.0303 98 ASN A OD1 498 N ND2 . ASN A 71 ? 0.6262 0.6433 0.5201 -0.0682 -0.0151 -0.0349 98 ASN A ND2 499 N N . TYR A 72 ? 0.5474 0.5632 0.4190 -0.0556 -0.0082 -0.0119 99 TYR A N 500 C CA . TYR A 72 ? 0.5574 0.5767 0.4180 -0.0491 -0.0146 -0.0123 99 TYR A CA 501 C C . TYR A 72 ? 0.5586 0.5938 0.4365 -0.0477 -0.0213 -0.0174 99 TYR A C 502 O O . TYR A 72 ? 0.5403 0.5817 0.4362 -0.0516 -0.0171 -0.0170 99 TYR A O 503 C CB . TYR A 72 ? 0.5632 0.5722 0.4083 -0.0448 -0.0107 -0.0039 99 TYR A CB 504 C CG . TYR A 72 ? 0.5625 0.5727 0.4164 -0.0431 -0.0080 0.0000 99 TYR A CG 505 C CD1 . TYR A 72 ? 0.5549 0.5611 0.4144 -0.0479 -0.0009 0.0027 99 TYR A CD1 506 C CD2 . TYR A 72 ? 0.5692 0.5848 0.4242 -0.0350 -0.0130 0.0005 99 TYR A CD2 507 C CE1 . TYR A 72 ? 0.5485 0.5551 0.4128 -0.0457 0.0022 0.0056 99 TYR A CE1 508 C CE2 . TYR A 72 ? 0.5677 0.5851 0.4306 -0.0321 -0.0094 0.0029 99 TYR A CE2 509 C CZ . TYR A 72 ? 0.5541 0.5664 0.4209 -0.0381 -0.0011 0.0054 99 TYR A CZ 510 O OH . TYR A 72 ? 0.5426 0.5561 0.4143 -0.0345 0.0029 0.0070 99 TYR A OH 511 N N . GLU A 73 ? 0.5730 0.6164 0.4458 -0.0420 -0.0314 -0.0228 100 GLU A N 512 C CA . GLU A 73 ? 0.5802 0.6453 0.4745 -0.0417 -0.0402 -0.0320 100 GLU A CA 513 C C . GLU A 73 ? 0.5682 0.6456 0.4683 -0.0314 -0.0448 -0.0296 100 GLU A C 514 O O . GLU A 73 ? 0.5752 0.6750 0.5018 -0.0328 -0.0480 -0.0364 100 GLU A O 515 C CB . GLU A 73 ? 0.6166 0.6878 0.5033 -0.0398 -0.0517 -0.0422 100 GLU A CB 516 C CG . GLU A 73 ? 0.6387 0.6999 0.5239 -0.0494 -0.0480 -0.0481 100 GLU A CG 517 C CD . GLU A 73 ? 0.6804 0.7427 0.5495 -0.0458 -0.0582 -0.0580 100 GLU A CD 518 O OE1 . GLU A 73 ? 0.7056 0.7696 0.5848 -0.0537 -0.0606 -0.0696 100 GLU A OE1 519 O OE2 . GLU A 73 ? 0.7082 0.7669 0.5516 -0.0350 -0.0635 -0.0544 100 GLU A OE2 520 N N . ALA A 74 ? 0.5646 0.6273 0.4405 -0.0211 -0.0446 -0.0207 101 ALA A N 521 C CA . ALA A 74 ? 0.5615 0.6308 0.4374 -0.0075 -0.0500 -0.0182 101 ALA A CA 522 C C . ALA A 74 ? 0.5498 0.5947 0.4059 -0.0037 -0.0410 -0.0068 101 ALA A C 523 O O . ALA A 74 ? 0.5561 0.5799 0.3914 -0.0086 -0.0347 -0.0011 101 ALA A O 524 C CB . ALA A 74 ? 0.5865 0.6606 0.4463 0.0056 -0.0650 -0.0216 101 ALA A CB 525 N N . GLY A 75 ? 0.5448 0.5937 0.4088 0.0045 -0.0400 -0.0048 102 GLY A N 526 C CA . GLY A 75 ? 0.5473 0.5716 0.3938 0.0073 -0.0313 0.0040 102 GLY A CA 527 C C . GLY A 75 ? 0.5606 0.5808 0.3996 0.0250 -0.0362 0.0065 102 GLY A C 528 O O . GLY A 75 ? 0.5635 0.6028 0.4112 0.0370 -0.0477 0.0016 102 GLY A O 529 N N . GLU A 76 ? 0.5709 0.5661 0.3940 0.0269 -0.0280 0.0131 103 GLU A N 530 C CA . GLU A 76 ? 0.6021 0.5833 0.4119 0.0446 -0.0308 0.0167 103 GLU A CA 531 C C . GLU A 76 ? 0.5946 0.5846 0.4236 0.0467 -0.0236 0.0134 103 GLU A C 532 O O . GLU A 76 ? 0.5762 0.5631 0.4108 0.0333 -0.0134 0.0132 103 GLU A O 533 C CB . GLU A 76 ? 0.6299 0.5688 0.4025 0.0440 -0.0253 0.0262 103 GLU A CB 534 C CG . GLU A 76 ? 0.6705 0.5836 0.4218 0.0625 -0.0271 0.0314 103 GLU A CG 535 C CD . GLU A 76 ? 0.7090 0.5766 0.4212 0.0598 -0.0207 0.0413 103 GLU A CD 536 O OE1 . GLU A 76 ? 0.7566 0.5970 0.4434 0.0768 -0.0240 0.0474 103 GLU A OE1 537 O OE2 . GLU A 76 ? 0.6993 0.5576 0.4063 0.0409 -0.0117 0.0428 103 GLU A OE2 538 N N . TRP A 77 ? 0.6110 0.6120 0.4482 0.0651 -0.0292 0.0107 104 TRP A N 539 C CA . TRP A 77 ? 0.6130 0.6213 0.4655 0.0702 -0.0212 0.0071 104 TRP A CA 540 C C . TRP A 77 ? 0.6394 0.6059 0.4628 0.0690 -0.0123 0.0133 104 TRP A C 541 O O . TRP A 77 ? 0.6797 0.6138 0.4734 0.0774 -0.0155 0.0197 104 TRP A O 542 C CB . TRP A 77 ? 0.6260 0.6527 0.4908 0.0938 -0.0297 0.0025 104 TRP A CB 543 C CG . TRP A 77 ? 0.6079 0.6829 0.5093 0.0958 -0.0383 -0.0070 104 TRP A CG 544 C CD1 . TRP A 77 ? 0.5952 0.6879 0.5041 0.0886 -0.0483 -0.0101 104 TRP A CD1 545 C CD2 . TRP A 77 ? 0.6024 0.7157 0.5393 0.1061 -0.0379 -0.0166 104 TRP A CD2 546 N NE1 . TRP A 77 ? 0.5860 0.7254 0.5339 0.0919 -0.0548 -0.0217 104 TRP A NE1 547 C CE2 . TRP A 77 ? 0.5862 0.7411 0.5538 0.1023 -0.0480 -0.0257 104 TRP A CE2 548 C CE3 . TRP A 77 ? 0.6103 0.7281 0.5570 0.1177 -0.0291 -0.0196 104 TRP A CE3 549 C CZ2 . TRP A 77 ? 0.5795 0.7830 0.5906 0.1082 -0.0493 -0.0378 104 TRP A CZ2 550 C CZ3 . TRP A 77 ? 0.6033 0.7693 0.5918 0.1253 -0.0294 -0.0309 104 TRP A CZ3 551 C CH2 . TRP A 77 ? 0.5894 0.7992 0.6114 0.1197 -0.0393 -0.0400 104 TRP A CH2 552 N N . ALA A 78 ? 0.6290 0.5947 0.4589 0.0581 -0.0011 0.0110 105 ALA A N 553 C CA . ALA A 78 ? 0.6516 0.5811 0.4570 0.0540 0.0067 0.0139 105 ALA A CA 554 C C . ALA A 78 ? 0.6767 0.5988 0.4808 0.0693 0.0111 0.0101 105 ALA A C 555 O O . ALA A 78 ? 0.6659 0.6177 0.4942 0.0756 0.0136 0.0042 105 ALA A O 556 C CB . ALA A 78 ? 0.6316 0.5642 0.4413 0.0339 0.0142 0.0127 105 ALA A CB 557 N N . GLU A 79 ? 0.7195 0.6013 0.4954 0.0750 0.0132 0.0129 106 GLU A N 558 C CA . GLU A 79 ? 0.7529 0.6200 0.5228 0.0860 0.0198 0.0079 106 GLU A CA 559 C C . GLU A 79 ? 0.7349 0.6027 0.5064 0.0704 0.0296 0.0029 106 GLU A C 560 O O . GLU A 79 ? 0.7300 0.6097 0.5105 0.0772 0.0360 -0.0034 106 GLU A O 561 C CB . GLU A 79 ? 0.8115 0.6289 0.5479 0.0961 0.0194 0.0118 106 GLU A CB 562 C CG . GLU A 79 ? 0.8575 0.6726 0.5904 0.1227 0.0108 0.0144 106 GLU A CG 563 C CD . GLU A 79 ? 0.8840 0.7048 0.6254 0.1443 0.0135 0.0069 106 GLU A CD 564 O OE1 . GLU A 79 ? 0.9169 0.7059 0.6409 0.1448 0.0218 0.0033 106 GLU A OE1 565 O OE2 . GLU A 79 ? 0.9005 0.7579 0.6662 0.1616 0.0069 0.0036 106 GLU A OE2 566 N N . ASN A 80 ? 0.7180 0.5747 0.4802 0.0507 0.0306 0.0053 107 ASN A N 567 C CA . ASN A 80 ? 0.7231 0.5759 0.4812 0.0371 0.0370 0.0004 107 ASN A CA 568 C C . ASN A 80 ? 0.6902 0.5677 0.4624 0.0210 0.0361 0.0021 107 ASN A C 569 O O . ASN A 80 ? 0.6769 0.5536 0.4485 0.0118 0.0318 0.0066 107 ASN A O 570 C CB . ASN A 80 ? 0.7501 0.5621 0.4822 0.0294 0.0387 -0.0007 107 ASN A CB 571 C CG . ASN A 80 ? 0.7909 0.5703 0.5048 0.0454 0.0407 -0.0026 107 ASN A CG 572 O OD1 . ASN A 80 ? 0.8050 0.5821 0.5170 0.0544 0.0453 -0.0099 107 ASN A OD1 573 N ND2 . ASN A 80 ? 0.8196 0.5709 0.5173 0.0502 0.0378 0.0039 107 ASN A ND2 574 N N . CYS A 81 ? 0.6791 0.5769 0.4622 0.0188 0.0412 -0.0012 108 CYS A N 575 C CA . CYS A 81 ? 0.6612 0.5753 0.4520 0.0050 0.0415 0.0000 108 CYS A CA 576 C C . CYS A 81 ? 0.6646 0.5713 0.4424 0.0008 0.0465 -0.0047 108 CYS A C 577 O O . CYS A 81 ? 0.6784 0.5726 0.4450 0.0089 0.0510 -0.0099 108 CYS A O 578 C CB . CYS A 81 ? 0.6532 0.5987 0.4680 0.0062 0.0430 0.0020 108 CYS A CB 579 S SG . CYS A 81 ? 0.6548 0.6162 0.4870 0.0109 0.0345 0.0051 108 CYS A SG 580 N N . TYR A 82 ? 0.6470 0.5609 0.4248 -0.0101 0.0449 -0.0036 109 TYR A N 581 C CA . TYR A 82 ? 0.6557 0.5630 0.4180 -0.0136 0.0465 -0.0082 109 TYR A CA 582 C C . TYR A 82 ? 0.6504 0.5749 0.4174 -0.0165 0.0493 -0.0042 109 TYR A C 583 O O . TYR A 82 ? 0.6204 0.5582 0.4024 -0.0207 0.0476 0.0012 109 TYR A O 584 C CB . TYR A 82 ? 0.6640 0.5570 0.4161 -0.0236 0.0396 -0.0123 109 TYR A CB 585 C CG . TYR A 82 ? 0.6784 0.5497 0.4250 -0.0234 0.0387 -0.0140 109 TYR A CG 586 C CD1 . TYR A 82 ? 0.7033 0.5509 0.4334 -0.0191 0.0413 -0.0212 109 TYR A CD1 587 C CD2 . TYR A 82 ? 0.6678 0.5390 0.4227 -0.0264 0.0360 -0.0082 109 TYR A CD2 588 C CE1 . TYR A 82 ? 0.7284 0.5497 0.4502 -0.0184 0.0416 -0.0215 109 TYR A CE1 589 C CE2 . TYR A 82 ? 0.6853 0.5317 0.4301 -0.0253 0.0365 -0.0077 109 TYR A CE2 590 C CZ . TYR A 82 ? 0.7191 0.5393 0.4475 -0.0214 0.0395 -0.0138 109 TYR A CZ 591 O OH . TYR A 82 ? 0.7497 0.5394 0.4650 -0.0203 0.0409 -0.0120 109 TYR A OH 592 N N . ASN A 83 ? 0.6732 0.5939 0.4240 -0.0138 0.0539 -0.0071 110 ASN A N 593 C CA . ASN A 83 ? 0.6750 0.6053 0.4225 -0.0148 0.0589 -0.0020 110 ASN A CA 594 C C . ASN A 83 ? 0.7021 0.6205 0.4221 -0.0135 0.0564 -0.0071 110 ASN A C 595 O O . ASN A 83 ? 0.7154 0.6242 0.4201 -0.0075 0.0607 -0.0136 110 ASN A O 596 C CB . ASN A 83 ? 0.6755 0.6172 0.4330 -0.0091 0.0720 0.0004 110 ASN A CB 597 C CG . ASN A 83 ? 0.6773 0.6255 0.4321 -0.0123 0.0806 0.0075 110 ASN A CG 598 O OD1 . ASN A 83 ? 0.7035 0.6415 0.4336 -0.0112 0.0819 0.0083 110 ASN A OD1 599 N ND2 . ASN A 83 ? 0.6537 0.6174 0.4321 -0.0162 0.0866 0.0122 110 ASN A ND2 600 N N . LEU A 84 ? 0.7057 0.6254 0.4194 -0.0178 0.0483 -0.0052 111 LEU A N 601 C CA . LEU A 84 ? 0.7328 0.6445 0.4226 -0.0166 0.0407 -0.0122 111 LEU A CA 602 C C . LEU A 84 ? 0.7609 0.6718 0.4296 -0.0112 0.0434 -0.0063 111 LEU A C 603 O O . LEU A 84 ? 0.7388 0.6548 0.4143 -0.0125 0.0440 0.0029 111 LEU A O 604 C CB . LEU A 84 ? 0.7232 0.6391 0.4217 -0.0241 0.0269 -0.0170 111 LEU A CB 605 C CG . LEU A 84 ? 0.7193 0.6320 0.4343 -0.0313 0.0245 -0.0217 111 LEU A CG 606 C CD1 . LEU A 84 ? 0.7133 0.6330 0.4358 -0.0400 0.0132 -0.0276 111 LEU A CD1 607 C CD2 . LEU A 84 ? 0.7449 0.6407 0.4482 -0.0290 0.0284 -0.0300 111 LEU A CD2 608 N N . GLU A 85 ? 0.8017 0.7029 0.4419 -0.0048 0.0453 -0.0119 112 GLU A N 609 C CA . GLU A 85 ? 0.8457 0.7410 0.4557 0.0021 0.0463 -0.0071 112 GLU A CA 610 C C . GLU A 85 ? 0.8631 0.7540 0.4495 0.0053 0.0314 -0.0192 112 GLU A C 611 O O . GLU A 85 ? 0.8932 0.7742 0.4543 0.0108 0.0343 -0.0271 112 GLU A O 612 C CB . GLU A 85 ? 0.8885 0.7771 0.4817 0.0080 0.0652 -0.0028 112 GLU A CB 613 C CG . GLU A 85 ? 0.8976 0.7946 0.5152 0.0039 0.0807 0.0077 112 GLU A CG 614 C CD . GLU A 85 ? 0.9310 0.8251 0.5441 0.0020 0.0847 0.0213 112 GLU A CD 615 O OE1 . GLU A 85 ? 0.9712 0.8552 0.5583 0.0068 0.0757 0.0242 112 GLU A OE1 616 O OE2 . GLU A 85 ? 0.9431 0.8444 0.5788 -0.0037 0.0968 0.0284 112 GLU A OE2 617 N N . ILE A 86 ? 0.8433 0.7432 0.4392 0.0021 0.0153 -0.0222 113 ILE A N 618 C CA . ILE A 86 ? 0.8612 0.7636 0.4433 0.0030 -0.0013 -0.0365 113 ILE A CA 619 C C . ILE A 86 ? 0.8871 0.7916 0.4446 0.0136 -0.0117 -0.0321 113 ILE A C 620 O O . ILE A 86 ? 0.8776 0.7869 0.4442 0.0157 -0.0130 -0.0210 113 ILE A O 621 C CB . ILE A 86 ? 0.8407 0.7559 0.4543 -0.0088 -0.0124 -0.0462 113 ILE A CB 622 C CG1 . ILE A 86 ? 0.8239 0.7327 0.4591 -0.0175 -0.0017 -0.0466 113 ILE A CG1 623 C CG2 . ILE A 86 ? 0.8672 0.7866 0.4705 -0.0109 -0.0282 -0.0644 113 ILE A CG2 624 C CD1 . ILE A 86 ? 0.8494 0.7409 0.4676 -0.0151 0.0059 -0.0548 113 ILE A CD1 625 N N . LYS A 87 ? 0.9222 0.8207 0.4457 0.0216 -0.0194 -0.0413 114 LYS A N 626 C CA . LYS A 87 ? 0.9547 0.8543 0.4491 0.0346 -0.0330 -0.0393 114 LYS A CA 627 C C . LYS A 87 ? 0.9658 0.8809 0.4606 0.0338 -0.0559 -0.0595 114 LYS A C 628 O O . LYS A 87 ? 0.9518 0.8694 0.4594 0.0232 -0.0577 -0.0749 114 LYS A O 629 C CB . LYS A 87 ? 1.0034 0.8820 0.4499 0.0470 -0.0221 -0.0318 114 LYS A CB 630 C CG . LYS A 87 ? 1.0089 0.8742 0.4545 0.0469 0.0012 -0.0120 114 LYS A CG 631 C CD . LYS A 87 ? 1.0655 0.9100 0.4622 0.0579 0.0147 -0.0047 114 LYS A CD 632 C CE . LYS A 87 ? 1.0774 0.9096 0.4740 0.0562 0.0381 0.0155 114 LYS A CE 633 N NZ . LYS A 87 ? 1.0466 0.8893 0.4875 0.0427 0.0532 0.0158 114 LYS A NZ 634 N N . LYS A 88 ? 0.9960 0.9216 0.4780 0.0451 -0.0736 -0.0600 115 LYS A N 635 C CA . LYS A 88 ? 1.0372 0.9798 0.5131 0.0474 -0.0971 -0.0809 115 LYS A CA 636 C C . LYS A 88 ? 1.0940 1.0186 0.5184 0.0582 -0.0979 -0.0869 115 LYS A C 637 O O . LYS A 88 ? 1.1115 1.0125 0.5033 0.0670 -0.0812 -0.0715 115 LYS A O 638 C CB . LYS A 88 ? 1.0518 1.0155 0.5328 0.0589 -0.1175 -0.0801 115 LYS A CB 639 C CG . LYS A 88 ? 1.0182 1.0069 0.5527 0.0472 -0.1207 -0.0821 115 LYS A CG 640 C CD . LYS A 88 ? 1.0370 1.0561 0.5831 0.0577 -0.1453 -0.0909 115 LYS A CD 641 C CE . LYS A 88 ? 1.0480 1.0601 0.5823 0.0760 -0.1459 -0.0713 115 LYS A CE 642 N NZ . LYS A 88 ? 1.0053 1.0169 0.5749 0.0666 -0.1309 -0.0590 115 LYS A NZ 643 N N . PRO A 89 ? 1.1257 1.0613 0.5425 0.0566 -0.1161 -0.1102 116 PRO A N 644 C CA . PRO A 89 ? 1.1815 1.1003 0.5449 0.0685 -0.1193 -0.1182 116 PRO A CA 645 C C . PRO A 89 ? 1.2277 1.1329 0.5397 0.0919 -0.1213 -0.1019 116 PRO A C 646 O O . PRO A 89 ? 1.2677 1.1495 0.5320 0.1013 -0.1114 -0.0992 116 PRO A O 647 C CB . PRO A 89 ? 1.1953 1.1364 0.5666 0.0632 -0.1453 -0.1474 116 PRO A CB 648 C CG . PRO A 89 ? 1.1569 1.1288 0.5848 0.0501 -0.1554 -0.1524 116 PRO A CG 649 C CD . PRO A 89 ? 1.1090 1.0714 0.5665 0.0413 -0.1322 -0.1318 116 PRO A CD 650 N N . ASP A 90 ? 1.2250 1.1421 0.5449 0.1015 -0.1326 -0.0909 117 ASP A N 651 C CA . ASP A 90 ? 1.2657 1.1635 0.5369 0.1240 -0.1323 -0.0712 117 ASP A CA 652 C C . ASP A 90 ? 1.2490 1.1176 0.5104 0.1235 -0.1019 -0.0437 117 ASP A C 653 O O . ASP A 90 ? 1.2794 1.1279 0.5035 0.1397 -0.0990 -0.0251 117 ASP A O 654 C CB . ASP A 90 ? 1.2792 1.1991 0.5607 0.1374 -0.1578 -0.0712 117 ASP A CB 655 C CG . ASP A 90 ? 1.2442 1.1759 0.5778 0.1283 -0.1511 -0.0600 117 ASP A CG 656 O OD1 . ASP A 90 ? 1.2138 1.1387 0.5776 0.1105 -0.1289 -0.0531 117 ASP A OD1 657 O OD2 . ASP A 90 ? 1.2635 1.2120 0.6069 0.1406 -0.1692 -0.0589 117 ASP A OD2 658 N N . GLY A 91 ? 1.1948 1.0610 0.4903 0.1052 -0.0801 -0.0413 118 GLY A N 659 C CA . GLY A 91 ? 1.1831 1.0268 0.4748 0.1022 -0.0511 -0.0191 118 GLY A CA 660 C C . GLY A 91 ? 1.1409 0.9875 0.4680 0.0969 -0.0451 -0.0031 118 GLY A C 661 O O . GLY A 91 ? 1.1267 0.9586 0.4596 0.0905 -0.0212 0.0122 118 GLY A O 662 N N . SER A 92 ? 1.1135 0.9803 0.4654 0.0996 -0.0661 -0.0080 119 SER A N 663 C CA . SER A 92 ? 1.0802 0.9491 0.4636 0.0962 -0.0618 0.0052 119 SER A CA 664 C C . SER A 92 ? 1.0218 0.9062 0.4595 0.0752 -0.0517 0.0000 119 SER A C 665 O O . SER A 92 ? 0.9875 0.8871 0.4448 0.0647 -0.0561 -0.0166 119 SER A O 666 C CB . SER A 92 ? 1.0839 0.9701 0.4737 0.1091 -0.0873 0.0011 119 SER A CB 667 O OG . SER A 92 ? 1.0651 0.9851 0.4856 0.1025 -0.1068 -0.0218 119 SER A OG 668 N N . GLU A 93 ? 1.0072 0.8851 0.4663 0.0696 -0.0384 0.0143 120 GLU A N 669 C CA . GLU A 93 ? 0.9690 0.8578 0.4734 0.0518 -0.0271 0.0122 120 GLU A CA 670 C C . GLU A 93 ? 0.9299 0.8464 0.4745 0.0450 -0.0433 -0.0007 120 GLU A C 671 O O . GLU A 93 ? 0.9352 0.8619 0.4845 0.0534 -0.0577 -0.0010 120 GLU A O 672 C CB . GLU A 93 ? 0.9707 0.8446 0.4835 0.0480 -0.0091 0.0299 120 GLU A CB 673 C CG . GLU A 93 ? 1.0099 0.8584 0.4896 0.0502 0.0118 0.0428 120 GLU A CG 674 C CD . GLU A 93 ? 1.0084 0.8608 0.4994 0.0396 0.0279 0.0375 120 GLU A CD 675 O OE1 . GLU A 93 ? 0.9914 0.8615 0.5122 0.0311 0.0225 0.0246 120 GLU A OE1 676 O OE2 . GLU A 93 ? 1.0531 0.8897 0.5223 0.0402 0.0472 0.0463 120 GLU A OE2 677 N N . CYS A 94 ? 0.9047 0.8323 0.4767 0.0305 -0.0399 -0.0115 121 CYS A N 678 C CA . CYS A 94 ? 0.8740 0.8254 0.4849 0.0205 -0.0501 -0.0228 121 CYS A CA 679 C C . CYS A 94 ? 0.8200 0.7744 0.4619 0.0133 -0.0411 -0.0136 121 CYS A C 680 O O . CYS A 94 ? 0.7946 0.7677 0.4626 0.0103 -0.0498 -0.0188 121 CYS A O 681 C CB . CYS A 94 ? 0.8843 0.8403 0.5068 0.0077 -0.0495 -0.0378 121 CYS A CB 682 S SG . CYS A 94 ? 0.9396 0.8987 0.5340 0.0129 -0.0656 -0.0562 121 CYS A SG 683 N N . LEU A 95 ? 0.7925 0.7308 0.4325 0.0104 -0.0237 -0.0013 122 LEU A N 684 C CA . LEU A 95 ? 0.7505 0.6912 0.4190 0.0024 -0.0150 0.0055 122 LEU A CA 685 C C . LEU A 95 ? 0.7534 0.6784 0.4107 0.0087 -0.0068 0.0207 122 LEU A C 686 O O . LEU A 95 ? 0.7735 0.6808 0.4020 0.0147 0.0010 0.0286 122 LEU A O 687 C CB . LEU A 95 ? 0.7273 0.6655 0.4091 -0.0080 -0.0024 0.0042 122 LEU A CB 688 C CG . LEU A 95 ? 0.7235 0.6687 0.4132 -0.0151 -0.0076 -0.0095 122 LEU A CG 689 C CD1 . LEU A 95 ? 0.7276 0.6636 0.4199 -0.0197 0.0050 -0.0092 122 LEU A CD1 690 C CD2 . LEU A 95 ? 0.7006 0.6622 0.4180 -0.0232 -0.0157 -0.0162 122 LEU A CD2 691 N N . PRO A 96 ? 0.7337 0.6626 0.4121 0.0067 -0.0075 0.0245 123 PRO A N 692 C CA . PRO A 96 ? 0.7432 0.6529 0.4114 0.0109 0.0007 0.0380 123 PRO A CA 693 C C . PRO A 96 ? 0.7298 0.6305 0.4050 0.0007 0.0191 0.0445 123 PRO A C 694 O O . PRO A 96 ? 0.7033 0.6163 0.3990 -0.0085 0.0229 0.0385 123 PRO A O 695 C CB . PRO A 96 ? 0.7287 0.6479 0.4204 0.0112 -0.0064 0.0361 123 PRO A CB 696 C CG . PRO A 96 ? 0.6960 0.6378 0.4170 0.0002 -0.0092 0.0250 123 PRO A CG 697 C CD . PRO A 96 ? 0.7076 0.6562 0.4185 -0.0004 -0.0138 0.0166 123 PRO A CD 698 N N . ALA A 97 ? 0.7537 0.6328 0.4117 0.0027 0.0304 0.0565 124 ALA A N 699 C CA . ALA A 97 ? 0.7559 0.6296 0.4252 -0.0083 0.0485 0.0620 124 ALA A CA 700 C C . ALA A 97 ? 0.7314 0.6169 0.4362 -0.0177 0.0475 0.0583 124 ALA A C 701 O O . ALA A 97 ? 0.7318 0.6187 0.4439 -0.0143 0.0372 0.0566 124 ALA A O 702 C CB . ALA A 97 ? 0.7905 0.6360 0.4338 -0.0061 0.0617 0.0757 124 ALA A CB 703 N N . ALA A 98 ? 0.7145 0.6099 0.4404 -0.0281 0.0577 0.0562 125 ALA A N 704 C CA . ALA A 98 ? 0.6862 0.5928 0.4430 -0.0368 0.0568 0.0523 125 ALA A CA 705 C C . ALA A 98 ? 0.6948 0.5839 0.4505 -0.0385 0.0596 0.0584 125 ALA A C 706 O O . ALA A 98 ? 0.7217 0.5920 0.4642 -0.0410 0.0721 0.0668 125 ALA A O 707 C CB . ALA A 98 ? 0.6732 0.5926 0.4497 -0.0455 0.0676 0.0497 125 ALA A CB 708 N N . PRO A 99 ? 0.6831 0.5759 0.4509 -0.0372 0.0493 0.0541 126 PRO A N 709 C CA . PRO A 99 ? 0.6982 0.5733 0.4683 -0.0397 0.0525 0.0577 126 PRO A CA 710 C C . PRO A 99 ? 0.7006 0.5748 0.4884 -0.0542 0.0657 0.0579 126 PRO A C 711 O O . PRO A 99 ? 0.6737 0.5687 0.4794 -0.0609 0.0689 0.0528 126 PRO A O 712 C CB . PRO A 99 ? 0.6736 0.5617 0.4600 -0.0373 0.0401 0.0492 126 PRO A CB 713 C CG . PRO A 99 ? 0.6631 0.5683 0.4459 -0.0299 0.0296 0.0445 126 PRO A CG 714 C CD . PRO A 99 ? 0.6600 0.5711 0.4376 -0.0331 0.0355 0.0455 126 PRO A CD 715 N N . ASP A 100 ? 0.7292 0.5792 0.5124 -0.0584 0.0729 0.0628 127 ASP A N 716 C CA . ASP A 100 ? 0.7457 0.5944 0.5486 -0.0745 0.0852 0.0612 127 ASP A CA 717 C C . ASP A 100 ? 0.7119 0.5903 0.5477 -0.0814 0.0775 0.0484 127 ASP A C 718 O O . ASP A 100 ? 0.6830 0.5660 0.5235 -0.0766 0.0654 0.0423 127 ASP A O 719 C CB . ASP A 100 ? 0.8001 0.6138 0.5923 -0.0774 0.0909 0.0664 127 ASP A CB 720 C CG . ASP A 100 ? 0.8390 0.6460 0.6485 -0.0968 0.1070 0.0655 127 ASP A CG 721 O OD1 . ASP A 100 ? 0.8490 0.6801 0.6778 -0.1068 0.1152 0.0621 127 ASP A OD1 722 O OD2 . ASP A 100 ? 0.8765 0.6537 0.6811 -0.1021 0.1117 0.0674 127 ASP A OD2 723 N N . GLY A 101 ? 0.6964 0.5958 0.5531 -0.0911 0.0845 0.0441 128 GLY A N 724 C CA . GLY A 101 ? 0.6710 0.5981 0.5564 -0.0962 0.0768 0.0325 128 GLY A CA 725 C C . GLY A 101 ? 0.6479 0.5967 0.5350 -0.0866 0.0651 0.0282 128 GLY A C 726 O O . GLY A 101 ? 0.6231 0.5904 0.5274 -0.0880 0.0569 0.0198 128 GLY A O 727 N N . ILE A 102 ? 0.6600 0.6045 0.5273 -0.0772 0.0642 0.0337 129 ILE A N 728 C CA . ILE A 102 ? 0.6539 0.6148 0.5215 -0.0702 0.0561 0.0299 129 ILE A CA 729 C C . ILE A 102 ? 0.6556 0.6259 0.5246 -0.0697 0.0648 0.0310 129 ILE A C 730 O O . ILE A 102 ? 0.7017 0.6609 0.5515 -0.0658 0.0711 0.0367 129 ILE A O 731 C CB . ILE A 102 ? 0.6668 0.6191 0.5148 -0.0612 0.0475 0.0318 129 ILE A CB 732 C CG1 . ILE A 102 ? 0.6743 0.6197 0.5235 -0.0605 0.0405 0.0297 129 ILE A CG1 733 C CG2 . ILE A 102 ? 0.6647 0.6303 0.5139 -0.0571 0.0407 0.0272 129 ILE A CG2 734 C CD1 . ILE A 102 ? 0.6774 0.6241 0.5168 -0.0524 0.0310 0.0281 129 ILE A CD1 735 N N . ARG A 103 ? 0.6376 0.6288 0.5287 -0.0721 0.0648 0.0249 130 ARG A N 736 C CA . ARG A 103 ? 0.6312 0.6362 0.5290 -0.0696 0.0725 0.0236 130 ARG A CA 737 C C . ARG A 103 ? 0.6027 0.6147 0.4967 -0.0598 0.0630 0.0200 130 ARG A C 738 O O . ARG A 103 ? 0.5833 0.5925 0.4738 -0.0576 0.0518 0.0182 130 ARG A O 739 C CB . ARG A 103 ? 0.6427 0.6698 0.5715 -0.0775 0.0781 0.0178 130 ARG A CB 740 C CG . ARG A 103 ? 0.6715 0.6911 0.6080 -0.0909 0.0901 0.0202 130 ARG A CG 741 C CD . ARG A 103 ? 0.6748 0.7204 0.6476 -0.1007 0.0907 0.0104 130 ARG A CD 742 N NE . ARG A 103 ? 0.6830 0.7333 0.6630 -0.0996 0.0741 0.0037 130 ARG A NE 743 C CZ . ARG A 103 ? 0.7037 0.7370 0.6790 -0.1061 0.0701 0.0033 130 ARG A CZ 744 N NH1 . ARG A 103 ? 0.7294 0.7372 0.6931 -0.1139 0.0810 0.0099 130 ARG A NH1 745 N NH2 . ARG A 103 ? 0.6984 0.7378 0.6779 -0.1034 0.0554 -0.0037 130 ARG A NH2 746 N N . GLY A 104 ? 0.5962 0.6155 0.4902 -0.0540 0.0689 0.0187 131 GLY A N 747 C CA . GLY A 104 ? 0.5840 0.6030 0.4705 -0.0441 0.0617 0.0157 131 GLY A CA 748 C C . GLY A 104 ? 0.5671 0.5994 0.4694 -0.0406 0.0517 0.0109 131 GLY A C 749 O O . GLY A 104 ? 0.5515 0.6011 0.4760 -0.0447 0.0506 0.0074 131 GLY A O 750 N N . PHE A 105 ? 0.5603 0.5829 0.4494 -0.0332 0.0442 0.0103 132 PHE A N 751 C CA . PHE A 105 ? 0.5527 0.5822 0.4486 -0.0267 0.0348 0.0074 132 PHE A CA 752 C C . PHE A 105 ? 0.5512 0.6037 0.4688 -0.0194 0.0371 0.0027 132 PHE A C 753 O O . PHE A 105 ? 0.5639 0.6180 0.4810 -0.0137 0.0451 0.0018 132 PHE A O 754 C CB . PHE A 105 ? 0.5596 0.5685 0.4335 -0.0201 0.0306 0.0089 132 PHE A CB 755 C CG . PHE A 105 ? 0.5586 0.5655 0.4297 -0.0143 0.0211 0.0088 132 PHE A CG 756 C CD1 . PHE A 105 ? 0.5482 0.5493 0.4127 -0.0206 0.0156 0.0104 132 PHE A CD1 757 C CD2 . PHE A 105 ? 0.5679 0.5771 0.4401 -0.0009 0.0179 0.0072 132 PHE A CD2 758 C CE1 . PHE A 105 ? 0.5567 0.5530 0.4131 -0.0148 0.0079 0.0112 132 PHE A CE1 759 C CE2 . PHE A 105 ? 0.5771 0.5805 0.4408 0.0063 0.0086 0.0086 132 PHE A CE2 760 C CZ . PHE A 105 ? 0.5702 0.5664 0.4245 -0.0011 0.0041 0.0109 132 PHE A CZ 761 N N . PRO A 106 ? 0.5480 0.6203 0.4853 -0.0190 0.0296 -0.0015 133 PRO A N 762 C CA . PRO A 106 ? 0.5466 0.6494 0.5129 -0.0150 0.0322 -0.0082 133 PRO A CA 763 C C . PRO A 106 ? 0.5509 0.6624 0.5202 0.0032 0.0283 -0.0115 133 PRO A C 764 O O . PRO A 106 ? 0.5530 0.6929 0.5487 0.0074 0.0329 -0.0178 133 PRO A O 765 C CB . PRO A 106 ? 0.5418 0.6626 0.5271 -0.0214 0.0227 -0.0136 133 PRO A CB 766 C CG . PRO A 106 ? 0.5418 0.6411 0.5026 -0.0192 0.0117 -0.0098 133 PRO A CG 767 C CD . PRO A 106 ? 0.5449 0.6152 0.4798 -0.0227 0.0187 -0.0021 133 PRO A CD 768 N N . ARG A 107 ? 0.5562 0.6439 0.5000 0.0141 0.0207 -0.0076 134 ARG A N 769 C CA . ARG A 107 ? 0.5714 0.6604 0.5132 0.0340 0.0159 -0.0098 134 ARG A CA 770 C C . ARG A 107 ? 0.5968 0.6485 0.5059 0.0402 0.0193 -0.0046 134 ARG A C 771 O O . ARG A 107 ? 0.6119 0.6370 0.4968 0.0401 0.0130 0.0004 134 ARG A O 772 C CB . ARG A 107 ? 0.5715 0.6685 0.5147 0.0441 -0.0004 -0.0114 134 ARG A CB 773 C CG . ARG A 107 ? 0.5506 0.6890 0.5294 0.0406 -0.0064 -0.0202 134 ARG A CG 774 C CD . ARG A 107 ? 0.5518 0.7243 0.5614 0.0524 -0.0036 -0.0285 134 ARG A CD 775 N NE . ARG A 107 ? 0.5386 0.7554 0.5884 0.0462 -0.0080 -0.0393 134 ARG A NE 776 C CZ . ARG A 107 ? 0.5209 0.7566 0.5963 0.0264 0.0036 -0.0435 134 ARG A CZ 777 N NH1 . ARG A 107 ? 0.5131 0.7892 0.6265 0.0204 -0.0013 -0.0550 134 ARG A NH1 778 N NH2 . ARG A 107 ? 0.5156 0.7295 0.5781 0.0123 0.0200 -0.0365 134 ARG A NH2 779 N N . CYS A 108 ? 0.6127 0.6626 0.5215 0.0439 0.0304 -0.0068 135 CYS A N 780 C CA . CYS A 108 ? 0.6380 0.6539 0.5181 0.0493 0.0345 -0.0048 135 CYS A CA 781 C C . CYS A 108 ? 0.6499 0.6714 0.5354 0.0683 0.0386 -0.0103 135 CYS A C 782 O O . CYS A 108 ? 0.6430 0.6931 0.5515 0.0696 0.0476 -0.0156 135 CYS A O 783 C CB . CYS A 108 ? 0.6473 0.6530 0.5169 0.0349 0.0446 -0.0037 135 CYS A CB 784 S SG . CYS A 108 ? 0.6631 0.6665 0.5301 0.0147 0.0412 0.0014 135 CYS A SG 785 N N . ARG A 109 ? 0.6650 0.6584 0.5292 0.0832 0.0334 -0.0092 136 ARG A N 786 C CA . ARG A 109 ? 0.6906 0.6832 0.5557 0.1038 0.0377 -0.0150 136 ARG A CA 787 C C . ARG A 109 ? 0.6924 0.6688 0.5431 0.0992 0.0512 -0.0186 136 ARG A C 788 O O . ARG A 109 ? 0.6939 0.6898 0.5584 0.1077 0.0610 -0.0251 136 ARG A O 789 C CB . ARG A 109 ? 0.7281 0.6886 0.5704 0.1226 0.0281 -0.0120 136 ARG A CB 790 C CG . ARG A 109 ? 0.7597 0.7158 0.6013 0.1478 0.0310 -0.0182 136 ARG A CG 791 C CD . ARG A 109 ? 0.7563 0.7637 0.6370 0.1634 0.0287 -0.0253 136 ARG A CD 792 N NE . ARG A 109 ? 0.7901 0.7995 0.6747 0.1855 0.0359 -0.0334 136 ARG A NE 793 C CZ . ARG A 109 ? 0.7871 0.8054 0.6777 0.1818 0.0520 -0.0401 136 ARG A CZ 794 N NH1 . ARG A 109 ? 0.8158 0.8350 0.7087 0.2048 0.0580 -0.0482 136 ARG A NH1 795 N NH2 . ARG A 109 ? 0.7634 0.7883 0.6554 0.1571 0.0623 -0.0389 136 ARG A NH2 796 N N . TYR A 110 ? 0.6916 0.6346 0.5152 0.0858 0.0516 -0.0152 137 TYR A N 797 C CA . TYR A 110 ? 0.7020 0.6282 0.5080 0.0796 0.0614 -0.0193 137 TYR A CA 798 C C . TYR A 110 ? 0.6844 0.6133 0.4870 0.0578 0.0621 -0.0158 137 TYR A C 799 O O . TYR A 110 ? 0.6946 0.6113 0.4901 0.0472 0.0543 -0.0109 137 TYR A O 800 C CB . TYR A 110 ? 0.7343 0.6149 0.5092 0.0853 0.0595 -0.0214 137 TYR A CB 801 C CG . TYR A 110 ? 0.7648 0.6351 0.5379 0.1096 0.0581 -0.0242 137 TYR A CG 802 C CD1 . TYR A 110 ? 0.7755 0.6637 0.5602 0.1260 0.0665 -0.0320 137 TYR A CD1 803 C CD2 . TYR A 110 ? 0.7843 0.6268 0.5431 0.1177 0.0489 -0.0186 137 TYR A CD2 804 C CE1 . TYR A 110 ? 0.8070 0.6874 0.5915 0.1514 0.0643 -0.0353 137 TYR A CE1 805 C CE2 . TYR A 110 ? 0.8175 0.6477 0.5718 0.1431 0.0463 -0.0203 137 TYR A CE2 806 C CZ . TYR A 110 ? 0.8276 0.6777 0.5960 0.1608 0.0533 -0.0292 137 TYR A CZ 807 O OH . TYR A 110 ? 0.8586 0.6974 0.6235 0.1888 0.0499 -0.0316 137 TYR A OH 808 N N . VAL A 111 ? 0.6731 0.6175 0.4795 0.0524 0.0720 -0.0180 138 VAL A N 809 C CA . VAL A 111 ? 0.6633 0.6055 0.4608 0.0355 0.0725 -0.0148 138 VAL A CA 810 C C . VAL A 111 ? 0.6905 0.6075 0.4593 0.0352 0.0759 -0.0206 138 VAL A C 811 O O . VAL A 111 ? 0.7083 0.6276 0.4707 0.0431 0.0859 -0.0257 138 VAL A O 812 C CB . VAL A 111 ? 0.6434 0.6147 0.4589 0.0290 0.0811 -0.0120 138 VAL A CB 813 C CG1 . VAL A 111 ? 0.6347 0.5984 0.4359 0.0149 0.0805 -0.0078 138 VAL A CG1 814 C CG2 . VAL A 111 ? 0.6214 0.6190 0.4675 0.0282 0.0770 -0.0092 138 VAL A CG2 815 N N . HIS A 112 ? 0.7041 0.5986 0.4565 0.0261 0.0677 -0.0209 139 HIS A N 816 C CA . HIS A 112 ? 0.7345 0.6063 0.4611 0.0235 0.0681 -0.0285 139 HIS A CA 817 C C . HIS A 112 ? 0.7356 0.6191 0.4564 0.0141 0.0686 -0.0269 139 HIS A C 818 O O . HIS A 112 ? 0.7132 0.5996 0.4366 0.0029 0.0609 -0.0234 139 HIS A O 819 C CB . HIS A 112 ? 0.7472 0.5917 0.4624 0.0162 0.0596 -0.0311 139 HIS A CB 820 C CG . HIS A 112 ? 0.7662 0.5925 0.4816 0.0262 0.0589 -0.0302 139 HIS A CG 821 N ND1 . HIS A 112 ? 0.8003 0.6005 0.4995 0.0377 0.0627 -0.0376 139 HIS A ND1 822 C CD2 . HIS A 112 ? 0.7599 0.5877 0.4863 0.0282 0.0544 -0.0226 139 HIS A CD2 823 C CE1 . HIS A 112 ? 0.8137 0.5988 0.5137 0.0471 0.0605 -0.0337 139 HIS A CE1 824 N NE2 . HIS A 112 ? 0.7896 0.5917 0.5052 0.0416 0.0552 -0.0243 139 HIS A NE2 825 N N . LYS A 113 ? 0.7588 0.6486 0.4704 0.0202 0.0786 -0.0292 140 LYS A N 826 C CA . LYS A 113 ? 0.7781 0.6756 0.4786 0.0145 0.0808 -0.0259 140 LYS A CA 827 C C . LYS A 113 ? 0.7989 0.6775 0.4683 0.0139 0.0762 -0.0349 140 LYS A C 828 O O . LYS A 113 ? 0.8235 0.6913 0.4750 0.0225 0.0829 -0.0430 140 LYS A O 829 C CB . LYS A 113 ? 0.8127 0.7274 0.5189 0.0203 0.0964 -0.0220 140 LYS A CB 830 C CG . LYS A 113 ? 0.8503 0.7669 0.5390 0.0158 0.1012 -0.0166 140 LYS A CG 831 C CD . LYS A 113 ? 0.8694 0.8057 0.5748 0.0144 0.1162 -0.0084 140 LYS A CD 832 C CE . LYS A 113 ? 0.9148 0.8450 0.5965 0.0103 0.1217 -0.0009 140 LYS A CE 833 N NZ . LYS A 113 ? 0.9348 0.8801 0.6324 0.0056 0.1385 0.0075 140 LYS A NZ 834 N N . VAL A 114 ? 0.7888 0.6653 0.4528 0.0044 0.0644 -0.0350 141 VAL A N 835 C CA . VAL A 114 ? 0.8120 0.6746 0.4508 0.0023 0.0561 -0.0458 141 VAL A CA 836 C C . VAL A 114 ? 0.8309 0.7010 0.4512 0.0035 0.0547 -0.0421 141 VAL A C 837 O O . VAL A 114 ? 0.8085 0.6909 0.4395 -0.0005 0.0513 -0.0325 141 VAL A O 838 C CB . VAL A 114 ? 0.8026 0.6600 0.4505 -0.0093 0.0426 -0.0509 141 VAL A CB 839 C CG1 . VAL A 114 ? 0.8297 0.6758 0.4555 -0.0129 0.0332 -0.0653 141 VAL A CG1 840 C CG2 . VAL A 114 ? 0.7971 0.6424 0.4595 -0.0104 0.0449 -0.0512 141 VAL A CG2 841 N N . SER A 115 ? 0.8774 0.7375 0.4670 0.0106 0.0575 -0.0497 142 SER A N 842 C CA . SER A 115 ? 0.9093 0.7709 0.4716 0.0141 0.0544 -0.0474 142 SER A CA 843 C C . SER A 115 ? 0.9316 0.7835 0.4708 0.0133 0.0395 -0.0631 142 SER A C 844 O O . SER A 115 ? 0.9549 0.7937 0.4902 0.0126 0.0387 -0.0764 142 SER A O 845 C CB . SER A 115 ? 0.9409 0.7998 0.4820 0.0240 0.0724 -0.0422 142 SER A CB 846 O OG . SER A 115 ? 0.9375 0.8085 0.5059 0.0229 0.0867 -0.0308 142 SER A OG 847 N N . GLY A 116 ? 0.9333 0.7913 0.4580 0.0138 0.0268 -0.0628 143 GLY A N 848 C CA . GLY A 116 ? 0.9595 0.8133 0.4638 0.0132 0.0106 -0.0798 143 GLY A CA 849 C C . GLY A 116 ? 0.9520 0.8210 0.4576 0.0116 -0.0080 -0.0803 143 GLY A C 850 O O . GLY A 116 ? 0.9319 0.8093 0.4400 0.0157 -0.0073 -0.0656 143 GLY A O 851 N N . THR A 117 ? 0.9665 0.8392 0.4718 0.0056 -0.0247 -0.0985 144 THR A N 852 C CA . THR A 117 ? 0.9697 0.8612 0.4749 0.0063 -0.0452 -0.1037 144 THR A CA 853 C C . THR A 117 ? 0.9522 0.8588 0.4930 -0.0097 -0.0576 -0.1172 144 THR A C 854 O O . THR A 117 ? 0.9493 0.8448 0.5015 -0.0214 -0.0537 -0.1282 144 THR A O 855 C CB . THR A 117 ? 1.0158 0.9027 0.4778 0.0173 -0.0570 -0.1162 144 THR A CB 856 O OG1 . THR A 117 ? 1.0370 0.9111 0.4916 0.0105 -0.0581 -0.1365 144 THR A OG1 857 C CG2 . THR A 117 ? 1.0372 0.9092 0.4594 0.0336 -0.0437 -0.1012 144 THR A CG2 858 N N . GLY A 118 ? 0.9438 0.8746 0.5010 -0.0097 -0.0717 -0.1162 145 GLY A N 859 C CA . GLY A 118 ? 0.9348 0.8868 0.5258 -0.0246 -0.0846 -0.1310 145 GLY A CA 860 C C . GLY A 118 ? 0.9421 0.9233 0.5383 -0.0165 -0.1036 -0.1329 145 GLY A C 861 O O . GLY A 118 ? 0.9525 0.9320 0.5252 0.0007 -0.1053 -0.1198 145 GLY A O 862 N N . PRO A 119 ? 0.9461 0.9540 0.5731 -0.0286 -0.1175 -0.1495 146 PRO A N 863 C CA . PRO A 119 ? 0.9530 0.9939 0.5912 -0.0192 -0.1363 -0.1524 146 PRO A CA 864 C C . PRO A 119 ? 0.9316 0.9814 0.5911 -0.0139 -0.1295 -0.1330 146 PRO A C 865 O O . PRO A 119 ? 0.9452 1.0103 0.5990 0.0023 -0.1418 -0.1284 146 PRO A O 866 C CB . PRO A 119 ? 0.9501 1.0191 0.6221 -0.0372 -0.1494 -0.1776 146 PRO A CB 867 C CG . PRO A 119 ? 0.9379 0.9862 0.6266 -0.0591 -0.1314 -0.1797 146 PRO A CG 868 C CD . PRO A 119 ? 0.9470 0.9555 0.5996 -0.0512 -0.1159 -0.1672 146 PRO A CD 869 N N . CYS A 120 ? 0.9137 0.9524 0.5949 -0.0261 -0.1111 -0.1226 147 CYS A N 870 C CA . CYS A 120 ? 0.8966 0.9387 0.5938 -0.0213 -0.1029 -0.1045 147 CYS A CA 871 C C . CYS A 120 ? 0.8740 0.9505 0.5942 -0.0151 -0.1185 -0.1096 147 CYS A C 872 O O . CYS A 120 ? 0.8708 0.9480 0.5782 0.0028 -0.1234 -0.0981 147 CYS A O 873 C CB . CYS A 120 ? 0.9230 0.9401 0.5869 -0.0052 -0.0938 -0.0847 147 CYS A CB 874 S SG . CYS A 120 ? 0.9781 0.9605 0.6164 -0.0087 -0.0748 -0.0792 147 CYS A SG 875 N N . ALA A 121 ? 0.8537 0.9580 0.6079 -0.0299 -0.1254 -0.1273 148 ALA A N 876 C CA . ALA A 121 ? 0.8440 0.9888 0.6241 -0.0240 -0.1423 -0.1377 148 ALA A CA 877 C C . ALA A 121 ? 0.8003 0.9567 0.6100 -0.0247 -0.1332 -0.1271 148 ALA A C 878 O O . ALA A 121 ? 0.7975 0.9798 0.6454 -0.0395 -0.1311 -0.1375 148 ALA A O 879 C CB . ALA A 121 ? 0.8495 1.0233 0.6560 -0.0412 -0.1532 -0.1638 148 ALA A CB 880 N N . GLY A 122 ? 0.7795 0.9159 0.5700 -0.0090 -0.1271 -0.1071 149 GLY A N 881 C CA . GLY A 122 ? 0.7394 0.8798 0.5511 -0.0078 -0.1178 -0.0962 149 GLY A CA 882 C C . GLY A 122 ? 0.7330 0.8391 0.5162 0.0044 -0.1075 -0.0743 149 GLY A C 883 O O . GLY A 122 ? 0.7368 0.8148 0.4913 0.0044 -0.1003 -0.0668 149 GLY A O 884 N N . ASP A 123 ? 0.7139 0.8225 0.5065 0.0139 -0.1057 -0.0652 150 ASP A N 885 C CA . ASP A 123 ? 0.7145 0.7910 0.4817 0.0254 -0.0968 -0.0457 150 ASP A CA 886 C C . ASP A 123 ? 0.6873 0.7401 0.4550 0.0115 -0.0769 -0.0351 150 ASP A C 887 O O . ASP A 123 ? 0.7024 0.7275 0.4459 0.0165 -0.0683 -0.0215 150 ASP A O 888 C CB . ASP A 123 ? 0.7185 0.8026 0.4956 0.0400 -0.1016 -0.0409 150 ASP A CB 889 C CG . ASP A 123 ? 0.7453 0.8482 0.5151 0.0607 -0.1226 -0.0480 150 ASP A CG 890 O OD1 . ASP A 123 ? 0.7832 0.8846 0.5289 0.0668 -0.1333 -0.0523 150 ASP A OD1 891 O OD2 . ASP A 123 ? 0.7454 0.8648 0.5324 0.0724 -0.1291 -0.0499 150 ASP A OD2 892 N N . PHE A 124 ? 0.6520 0.7162 0.4472 -0.0051 -0.0695 -0.0411 151 PHE A N 893 C CA . PHE A 124 ? 0.6266 0.6714 0.4232 -0.0166 -0.0531 -0.0326 151 PHE A CA 894 C C . PHE A 124 ? 0.6095 0.6582 0.4176 -0.0336 -0.0486 -0.0420 151 PHE A C 895 O O . PHE A 124 ? 0.5944 0.6647 0.4198 -0.0407 -0.0553 -0.0553 151 PHE A O 896 C CB . PHE A 124 ? 0.6093 0.6557 0.4229 -0.0170 -0.0465 -0.0264 151 PHE A CB 897 C CG . PHE A 124 ? 0.6180 0.6526 0.4189 -0.0016 -0.0484 -0.0163 151 PHE A CG 898 C CD1 . PHE A 124 ? 0.6272 0.6343 0.4095 0.0001 -0.0387 -0.0033 151 PHE A CD1 899 C CD2 . PHE A 124 ? 0.6243 0.6744 0.4324 0.0111 -0.0593 -0.0203 151 PHE A CD2 900 C CE1 . PHE A 124 ? 0.6408 0.6316 0.4097 0.0123 -0.0386 0.0062 151 PHE A CE1 901 C CE2 . PHE A 124 ? 0.6394 0.6721 0.4323 0.0265 -0.0606 -0.0102 151 PHE A CE2 902 C CZ . PHE A 124 ? 0.6493 0.6501 0.4214 0.0261 -0.0497 0.0034 151 PHE A CZ 903 N N . ALA A 125 ? 0.6051 0.6323 0.4042 -0.0399 -0.0369 -0.0353 152 ALA A N 904 C CA . ALA A 125 ? 0.6059 0.6276 0.4107 -0.0540 -0.0308 -0.0414 152 ALA A CA 905 C C . ALA A 125 ? 0.5959 0.6164 0.4171 -0.0622 -0.0210 -0.0364 152 ALA A C 906 O O . ALA A 125 ? 0.5872 0.5968 0.4047 -0.0580 -0.0145 -0.0257 152 ALA A O 907 C CB . ALA A 125 ? 0.6215 0.6199 0.4039 -0.0521 -0.0249 -0.0376 152 ALA A CB 908 N N . PHE A 126 ? 0.5955 0.6272 0.4339 -0.0746 -0.0198 -0.0448 153 PHE A N 909 C CA . PHE A 126 ? 0.5810 0.6115 0.4314 -0.0827 -0.0102 -0.0409 153 PHE A CA 910 C C . PHE A 126 ? 0.5978 0.6096 0.4431 -0.0951 -0.0019 -0.0425 153 PHE A C 911 O O . PHE A 126 ? 0.6075 0.6111 0.4453 -0.0998 -0.0041 -0.0498 153 PHE A O 912 C CB . PHE A 126 ? 0.5748 0.6327 0.4484 -0.0875 -0.0123 -0.0489 153 PHE A CB 913 C CG . PHE A 126 ? 0.5709 0.6454 0.4503 -0.0735 -0.0200 -0.0474 153 PHE A CG 914 C CD1 . PHE A 126 ? 0.5752 0.6627 0.4523 -0.0637 -0.0329 -0.0533 153 PHE A CD1 915 C CD2 . PHE A 126 ? 0.5584 0.6333 0.4428 -0.0687 -0.0152 -0.0405 153 PHE A CD2 916 C CE1 . PHE A 126 ? 0.5746 0.6726 0.4535 -0.0484 -0.0402 -0.0508 153 PHE A CE1 917 C CE2 . PHE A 126 ? 0.5543 0.6395 0.4422 -0.0548 -0.0219 -0.0394 153 PHE A CE2 918 C CZ . PHE A 126 ? 0.5668 0.6622 0.4514 -0.0441 -0.0342 -0.0437 153 PHE A CZ 919 N N . HIS A 127 ? 0.5960 0.5990 0.4430 -0.0997 0.0072 -0.0360 154 HIS A N 920 C CA . HIS A 127 ? 0.6178 0.5988 0.4570 -0.1104 0.0160 -0.0355 154 HIS A CA 921 C C . HIS A 127 ? 0.6364 0.6296 0.4911 -0.1266 0.0202 -0.0449 154 HIS A C 922 O O . HIS A 127 ? 0.6389 0.6522 0.5086 -0.1288 0.0225 -0.0456 154 HIS A O 923 C CB . HIS A 127 ? 0.6149 0.5809 0.4454 -0.1057 0.0228 -0.0237 154 HIS A CB 924 C CG . HIS A 127 ? 0.6349 0.5703 0.4482 -0.1080 0.0291 -0.0197 154 HIS A CG 925 N ND1 . HIS A 127 ? 0.6586 0.5782 0.4674 -0.1209 0.0376 -0.0211 154 HIS A ND1 926 C CD2 . HIS A 127 ? 0.6458 0.5624 0.4447 -0.0982 0.0288 -0.0144 154 HIS A CD2 927 C CE1 . HIS A 127 ? 0.6802 0.5688 0.4697 -0.1176 0.0413 -0.0160 154 HIS A CE1 928 N NE2 . HIS A 127 ? 0.6712 0.5599 0.4561 -0.1030 0.0356 -0.0126 154 HIS A NE2 929 N N . LYS A 128 ? 0.6636 0.6453 0.5157 -0.1387 0.0220 -0.0534 155 LYS A N 930 C CA . LYS A 128 ? 0.6860 0.6810 0.5562 -0.1575 0.0269 -0.0647 155 LYS A CA 931 C C . LYS A 128 ? 0.6918 0.6750 0.5614 -0.1689 0.0424 -0.0583 155 LYS A C 932 O O . LYS A 128 ? 0.6916 0.6930 0.5803 -0.1839 0.0491 -0.0661 155 LYS A O 933 C CB . LYS A 128 ? 0.7197 0.7003 0.5855 -0.1693 0.0254 -0.0765 155 LYS A CB 934 C CG . LYS A 128 ? 0.7277 0.7248 0.5947 -0.1609 0.0097 -0.0868 155 LYS A CG 935 C CD . LYS A 128 ? 0.7651 0.7510 0.6306 -0.1759 0.0081 -0.1022 155 LYS A CD 936 C CE . LYS A 128 ? 0.7770 0.7803 0.6405 -0.1672 -0.0086 -0.1142 155 LYS A CE 937 N NZ . LYS A 128 ? 0.8144 0.8096 0.6784 -0.1834 -0.0114 -0.1325 155 LYS A NZ 938 N N . GLU A 129 ? 0.7041 0.6572 0.5509 -0.1616 0.0483 -0.0445 156 GLU A N 939 C CA . GLU A 129 ? 0.7243 0.6615 0.5616 -0.1679 0.0620 -0.0357 156 GLU A CA 940 C C . GLU A 129 ? 0.7008 0.6549 0.5409 -0.1567 0.0617 -0.0280 156 GLU A C 941 O O . GLU A 129 ? 0.7177 0.6582 0.5451 -0.1587 0.0718 -0.0200 156 GLU A O 942 C CB . GLU A 129 ? 0.7639 0.6551 0.5713 -0.1655 0.0675 -0.0262 156 GLU A CB 943 C CG . GLU A 129 ? 0.8059 0.6751 0.6094 -0.1795 0.0706 -0.0351 156 GLU A CG 944 C CD . GLU A 129 ? 0.8486 0.6729 0.6230 -0.1714 0.0720 -0.0281 156 GLU A CD 945 O OE1 . GLU A 129 ? 0.8975 0.6993 0.6662 -0.1820 0.0745 -0.0361 156 GLU A OE1 946 O OE2 . GLU A 129 ? 0.8630 0.6750 0.6212 -0.1542 0.0700 -0.0160 156 GLU A OE2 947 N N . GLY A 130 ? 0.6611 0.6421 0.5149 -0.1448 0.0505 -0.0308 157 GLY A N 948 C CA . GLY A 130 ? 0.6351 0.6311 0.4926 -0.1345 0.0494 -0.0259 157 GLY A CA 949 C C . GLY A 130 ? 0.6191 0.5963 0.4576 -0.1209 0.0467 -0.0146 157 GLY A C 950 O O . GLY A 130 ? 0.5900 0.5756 0.4292 -0.1139 0.0463 -0.0114 157 GLY A O 951 N N . ALA A 131 ? 0.6180 0.5718 0.4413 -0.1168 0.0443 -0.0102 158 ALA A N 952 C CA . ALA A 131 ? 0.6100 0.5519 0.4205 -0.1035 0.0405 -0.0016 158 ALA A CA 953 C C . ALA A 131 ? 0.5897 0.5494 0.4113 -0.0932 0.0313 -0.0027 158 ALA A C 954 O O . ALA A 131 ? 0.5747 0.5526 0.4097 -0.0944 0.0273 -0.0089 158 ALA A O 955 C CB . ALA A 131 ? 0.6311 0.5445 0.4240 -0.1008 0.0416 0.0023 158 ALA A CB 956 N N . PHE A 132 ? 0.5843 0.5388 0.4000 -0.0831 0.0283 0.0031 159 PHE A N 957 C CA . PHE A 132 ? 0.5713 0.5378 0.3956 -0.0752 0.0223 0.0034 159 PHE A CA 958 C C . PHE A 132 ? 0.5765 0.5341 0.3956 -0.0693 0.0208 0.0052 159 PHE A C 959 O O . PHE A 132 ? 0.5961 0.5375 0.4044 -0.0680 0.0231 0.0071 159 PHE A O 960 C CB . PHE A 132 ? 0.5643 0.5358 0.3905 -0.0700 0.0208 0.0063 159 PHE A CB 961 C CG . PHE A 132 ? 0.5713 0.5531 0.4024 -0.0736 0.0227 0.0034 159 PHE A CG 962 C CD1 . PHE A 132 ? 0.5624 0.5588 0.4060 -0.0721 0.0201 -0.0005 159 PHE A CD1 963 C CD2 . PHE A 132 ? 0.5886 0.5639 0.4096 -0.0772 0.0279 0.0049 159 PHE A CD2 964 C CE1 . PHE A 132 ? 0.5599 0.5670 0.4091 -0.0736 0.0224 -0.0044 159 PHE A CE1 965 C CE2 . PHE A 132 ? 0.5879 0.5740 0.4129 -0.0801 0.0316 0.0014 159 PHE A CE2 966 C CZ . PHE A 132 ? 0.5709 0.5744 0.4117 -0.0781 0.0287 -0.0040 159 PHE A CZ 967 N N . PHE A 133 ? 0.5562 0.5227 0.3813 -0.0648 0.0179 0.0050 160 PHE A N 968 C CA . PHE A 133 ? 0.5545 0.5167 0.3765 -0.0586 0.0185 0.0072 160 PHE A CA 969 C C . PHE A 133 ? 0.5389 0.5080 0.3690 -0.0544 0.0182 0.0106 160 PHE A C 970 O O . PHE A 133 ? 0.5323 0.5096 0.3699 -0.0552 0.0168 0.0107 160 PHE A O 971 C CB . PHE A 133 ? 0.5534 0.5189 0.3733 -0.0575 0.0171 0.0051 160 PHE A CB 972 C CG . PHE A 133 ? 0.5590 0.5222 0.3738 -0.0626 0.0150 -0.0011 160 PHE A CG 973 C CD1 . PHE A 133 ? 0.5804 0.5296 0.3851 -0.0640 0.0170 -0.0041 160 PHE A CD1 974 C CD2 . PHE A 133 ? 0.5532 0.5289 0.3751 -0.0661 0.0108 -0.0054 160 PHE A CD2 975 C CE1 . PHE A 133 ? 0.5880 0.5347 0.3897 -0.0712 0.0150 -0.0120 160 PHE A CE1 976 C CE2 . PHE A 133 ? 0.5602 0.5386 0.3819 -0.0724 0.0081 -0.0135 160 PHE A CE2 977 C CZ . PHE A 133 ? 0.5800 0.5435 0.3918 -0.0763 0.0103 -0.0171 160 PHE A CZ 978 N N . LEU A 134 ? 0.5422 0.5077 0.3710 -0.0496 0.0188 0.0123 161 LEU A N 979 C CA . LEU A 134 ? 0.5297 0.5054 0.3690 -0.0462 0.0169 0.0132 161 LEU A CA 980 C C . LEU A 134 ? 0.5365 0.5199 0.3850 -0.0436 0.0204 0.0133 161 LEU A C 981 O O . LEU A 134 ? 0.5410 0.5205 0.3855 -0.0390 0.0237 0.0132 161 LEU A O 982 C CB . LEU A 134 ? 0.5383 0.5091 0.3718 -0.0402 0.0142 0.0142 161 LEU A CB 983 C CG . LEU A 134 ? 0.5527 0.5116 0.3721 -0.0428 0.0134 0.0157 161 LEU A CG 984 C CD1 . LEU A 134 ? 0.5692 0.5210 0.3787 -0.0338 0.0097 0.0183 161 LEU A CD1 985 C CD2 . LEU A 134 ? 0.5439 0.5116 0.3680 -0.0488 0.0123 0.0140 161 LEU A CD2 986 N N . TYR A 135 ? 0.5294 0.5221 0.3896 -0.0470 0.0209 0.0131 162 TYR A N 987 C CA . TYR A 135 ? 0.5303 0.5302 0.4007 -0.0475 0.0268 0.0136 162 TYR A CA 988 C C . TYR A 135 ? 0.5253 0.5403 0.4140 -0.0482 0.0242 0.0103 162 TYR A C 989 O O . TYR A 135 ? 0.5294 0.5475 0.4176 -0.0443 0.0172 0.0082 162 TYR A O 990 C CB . TYR A 135 ? 0.5351 0.5284 0.4012 -0.0520 0.0302 0.0163 162 TYR A CB 991 C CG . TYR A 135 ? 0.5439 0.5266 0.3929 -0.0500 0.0298 0.0177 162 TYR A CG 992 C CD1 . TYR A 135 ? 0.5559 0.5341 0.3949 -0.0467 0.0349 0.0188 162 TYR A CD1 993 C CD2 . TYR A 135 ? 0.5419 0.5213 0.3853 -0.0511 0.0242 0.0165 162 TYR A CD2 994 C CE1 . TYR A 135 ? 0.5636 0.5334 0.3864 -0.0448 0.0327 0.0180 162 TYR A CE1 995 C CE2 . TYR A 135 ? 0.5529 0.5274 0.3842 -0.0496 0.0222 0.0156 162 TYR A CE2 996 C CZ . TYR A 135 ? 0.5610 0.5302 0.3813 -0.0466 0.0256 0.0161 162 TYR A CZ 997 O OH . TYR A 135 ? 0.5652 0.5308 0.3731 -0.0453 0.0217 0.0132 162 TYR A OH 998 N N . ASP A 136 ? 0.5235 0.5475 0.4272 -0.0533 0.0298 0.0093 163 ASP A N 999 C CA . ASP A 136 ? 0.5308 0.5727 0.4561 -0.0562 0.0266 0.0034 163 ASP A CA 1000 C C . ASP A 136 ? 0.5290 0.5678 0.4541 -0.0608 0.0192 0.0002 163 ASP A C 1001 O O . ASP A 136 ? 0.5299 0.5630 0.4593 -0.0687 0.0226 -0.0002 163 ASP A O 1002 C CB . ASP A 136 ? 0.5353 0.5872 0.4786 -0.0635 0.0373 0.0024 163 ASP A CB 1003 C CG . ASP A 136 ? 0.5429 0.6177 0.5138 -0.0687 0.0339 -0.0061 163 ASP A CG 1004 O OD1 . ASP A 136 ? 0.5492 0.6292 0.5364 -0.0798 0.0430 -0.0080 163 ASP A OD1 1005 O OD2 . ASP A 136 ? 0.5460 0.6334 0.5217 -0.0619 0.0222 -0.0114 163 ASP A OD2 1006 N N . ARG A 137 ? 0.5317 0.5712 0.4488 -0.0550 0.0099 -0.0016 164 ARG A N 1007 C CA . ARG A 137 ? 0.5319 0.5697 0.4460 -0.0575 0.0030 -0.0058 164 ARG A CA 1008 C C . ARG A 137 ? 0.5271 0.5489 0.4298 -0.0615 0.0060 -0.0033 164 ARG A C 1009 O O . ARG A 137 ? 0.5211 0.5406 0.4242 -0.0646 0.0029 -0.0079 164 ARG A O 1010 C CB . ARG A 137 ? 0.5380 0.5919 0.4734 -0.0631 -0.0005 -0.0145 164 ARG A CB 1011 C CG . ARG A 137 ? 0.5506 0.6260 0.4987 -0.0562 -0.0073 -0.0192 164 ARG A CG 1012 C CD . ARG A 137 ? 0.5611 0.6580 0.5377 -0.0644 -0.0092 -0.0295 164 ARG A CD 1013 N NE . ARG A 137 ? 0.5649 0.6644 0.5579 -0.0734 0.0042 -0.0274 164 ARG A NE 1014 C CZ . ARG A 137 ? 0.5775 0.6833 0.5914 -0.0870 0.0099 -0.0333 164 ARG A CZ 1015 N NH1 . ARG A 137 ? 0.5823 0.6863 0.6055 -0.0947 0.0248 -0.0290 164 ARG A NH1 1016 N NH2 . ARG A 137 ? 0.5804 0.6919 0.6042 -0.0939 0.0018 -0.0437 164 ARG A NH2 1017 N N . LEU A 138 ? 0.5207 0.5325 0.4131 -0.0600 0.0112 0.0027 165 LEU A N 1018 C CA . LEU A 138 ? 0.5241 0.5246 0.4063 -0.0607 0.0125 0.0047 165 LEU A CA 1019 C C . LEU A 138 ? 0.5273 0.5239 0.3972 -0.0572 0.0129 0.0079 165 LEU A C 1020 O O . LEU A 138 ? 0.5256 0.5213 0.3934 -0.0552 0.0158 0.0105 165 LEU A O 1021 C CB . LEU A 138 ? 0.5311 0.5233 0.4149 -0.0634 0.0184 0.0079 165 LEU A CB 1022 C CG . LEU A 138 ? 0.5409 0.5307 0.4358 -0.0694 0.0200 0.0046 165 LEU A CG 1023 C CD1 . LEU A 138 ? 0.5542 0.5308 0.4470 -0.0725 0.0285 0.0101 165 LEU A CD1 1024 C CD2 . LEU A 138 ? 0.5466 0.5311 0.4382 -0.0687 0.0151 -0.0001 165 LEU A CD2 1025 N N . ALA A 139 ? 0.5309 0.5254 0.3934 -0.0572 0.0109 0.0066 166 ALA A N 1026 C CA . ALA A 139 ? 0.5395 0.5302 0.3926 -0.0571 0.0121 0.0079 166 ALA A CA 1027 C C . ALA A 139 ? 0.5477 0.5392 0.4012 -0.0576 0.0124 0.0068 166 ALA A C 1028 O O . ALA A 139 ? 0.5611 0.5553 0.4185 -0.0571 0.0112 0.0043 166 ALA A O 1029 C CB . ALA A 139 ? 0.5466 0.5360 0.3922 -0.0580 0.0115 0.0068 166 ALA A CB 1030 N N . SER A 140 ? 0.5486 0.5380 0.3974 -0.0573 0.0129 0.0076 167 SER A N 1031 C CA . SER A 140 ? 0.5419 0.5346 0.3905 -0.0556 0.0106 0.0058 167 SER A CA 1032 C C . SER A 140 ? 0.5383 0.5362 0.3860 -0.0595 0.0098 0.0014 167 SER A C 1033 O O . SER A 140 ? 0.5554 0.5472 0.3979 -0.0633 0.0121 0.0014 167 SER A O 1034 C CB . SER A 140 ? 0.5506 0.5371 0.3927 -0.0515 0.0108 0.0094 167 SER A CB 1035 O OG . SER A 140 ? 0.5525 0.5416 0.3919 -0.0466 0.0064 0.0081 167 SER A OG 1036 N N . THR A 141 ? 0.5288 0.5376 0.3825 -0.0582 0.0066 -0.0030 168 THR A N 1037 C CA . THR A 141 ? 0.5244 0.5426 0.3816 -0.0633 0.0052 -0.0094 168 THR A CA 1038 C C . THR A 141 ? 0.5331 0.5480 0.3821 -0.0614 0.0010 -0.0107 168 THR A C 1039 O O . THR A 141 ? 0.5361 0.5561 0.3871 -0.0676 -0.0002 -0.0174 168 THR A O 1040 C CB . THR A 141 ? 0.5177 0.5553 0.3886 -0.0617 0.0025 -0.0160 168 THR A CB 1041 O OG1 . THR A 141 ? 0.5153 0.5544 0.3852 -0.0503 -0.0036 -0.0146 168 THR A OG1 1042 C CG2 . THR A 141 ? 0.5234 0.5642 0.3998 -0.0647 0.0084 -0.0164 168 THR A CG2 1043 N N . VAL A 142 ? 0.5383 0.5438 0.3771 -0.0538 -0.0002 -0.0051 169 VAL A N 1044 C CA . VAL A 142 ? 0.5592 0.5606 0.3854 -0.0500 -0.0040 -0.0063 169 VAL A CA 1045 C C . VAL A 142 ? 0.5658 0.5516 0.3789 -0.0481 0.0016 -0.0004 169 VAL A C 1046 O O . VAL A 142 ? 0.5580 0.5382 0.3740 -0.0482 0.0074 0.0053 169 VAL A O 1047 C CB . VAL A 142 ? 0.5657 0.5729 0.3874 -0.0398 -0.0117 -0.0064 169 VAL A CB 1048 C CG1 . VAL A 142 ? 0.5621 0.5898 0.4008 -0.0397 -0.0176 -0.0140 169 VAL A CG1 1049 C CG2 . VAL A 142 ? 0.5674 0.5612 0.3815 -0.0327 -0.0081 0.0033 169 VAL A CG2 1050 N N . ILE A 143 ? 0.5807 0.5617 0.3804 -0.0463 -0.0001 -0.0034 170 ILE A N 1051 C CA . ILE A 143 ? 0.5895 0.5577 0.3759 -0.0433 0.0063 0.0005 170 ILE A CA 1052 C C . ILE A 143 ? 0.5986 0.5614 0.3717 -0.0352 0.0076 0.0073 170 ILE A C 1053 O O . ILE A 143 ? 0.6149 0.5795 0.3774 -0.0294 0.0002 0.0058 170 ILE A O 1054 C CB . ILE A 143 ? 0.6071 0.5695 0.3819 -0.0449 0.0049 -0.0071 170 ILE A CB 1055 C CG1 . ILE A 143 ? 0.6029 0.5642 0.3878 -0.0541 0.0053 -0.0128 170 ILE A CG1 1056 C CG2 . ILE A 143 ? 0.6206 0.5710 0.3819 -0.0399 0.0131 -0.0036 170 ILE A CG2 1057 C CD1 . ILE A 143 ? 0.6251 0.5778 0.3995 -0.0578 0.0034 -0.0224 170 ILE A CD1 1058 N N . TYR A 144 ? 0.5985 0.5545 0.3717 -0.0348 0.0171 0.0145 171 TYR A N 1059 C CA . TYR A 144 ? 0.6215 0.5674 0.3790 -0.0293 0.0226 0.0221 171 TYR A CA 1060 C C . TYR A 144 ? 0.6356 0.5745 0.3763 -0.0266 0.0301 0.0220 171 TYR A C 1061 O O . TYR A 144 ? 0.6190 0.5605 0.3660 -0.0291 0.0335 0.0175 171 TYR A O 1062 C CB . TYR A 144 ? 0.6268 0.5700 0.3964 -0.0326 0.0303 0.0291 171 TYR A CB 1063 C CG . TYR A 144 ? 0.6259 0.5749 0.4109 -0.0346 0.0236 0.0277 171 TYR A CG 1064 C CD1 . TYR A 144 ? 0.6434 0.5895 0.4211 -0.0282 0.0160 0.0285 171 TYR A CD1 1065 C CD2 . TYR A 144 ? 0.6130 0.5705 0.4182 -0.0409 0.0245 0.0250 171 TYR A CD2 1066 C CE1 . TYR A 144 ? 0.6368 0.5891 0.4289 -0.0286 0.0110 0.0259 171 TYR A CE1 1067 C CE2 . TYR A 144 ? 0.6123 0.5744 0.4287 -0.0421 0.0195 0.0229 171 TYR A CE2 1068 C CZ . TYR A 144 ? 0.6247 0.5845 0.4354 -0.0363 0.0135 0.0230 171 TYR A CZ 1069 O OH . TYR A 144 ? 0.6335 0.5989 0.4558 -0.0364 0.0097 0.0197 171 TYR A OH 1070 N N . ARG A 145 ? 0.6591 0.5871 0.3756 -0.0202 0.0329 0.0271 172 ARG A N 1071 C CA . ARG A 145 ? 0.6810 0.6012 0.3757 -0.0161 0.0406 0.0266 172 ARG A CA 1072 C C . ARG A 145 ? 0.6695 0.5912 0.3758 -0.0202 0.0567 0.0303 172 ARG A C 1073 O O . ARG A 145 ? 0.6601 0.5823 0.3792 -0.0247 0.0642 0.0372 172 ARG A O 1074 C CB . ARG A 145 ? 0.7198 0.6255 0.3818 -0.0074 0.0408 0.0335 172 ARG A CB 1075 C CG . ARG A 145 ? 0.7603 0.6562 0.3922 -0.0015 0.0485 0.0328 172 ARG A CG 1076 C CD . ARG A 145 ? 0.8025 0.6794 0.4008 0.0061 0.0542 0.0444 172 ARG A CD 1077 N NE . ARG A 145 ? 0.8216 0.6955 0.4112 0.0133 0.0380 0.0461 172 ARG A NE 1078 C CZ . ARG A 145 ? 0.8544 0.7097 0.4213 0.0208 0.0395 0.0580 172 ARG A CZ 1079 N NH1 . ARG A 145 ? 0.8820 0.7170 0.4301 0.0196 0.0583 0.0705 172 ARG A NH1 1080 N NH2 . ARG A 145 ? 0.8642 0.7207 0.4274 0.0298 0.0224 0.0573 172 ARG A NH2 1081 N N . GLY A 146 ? 0.6755 0.5990 0.3788 -0.0184 0.0617 0.0243 173 GLY A N 1082 C CA . GLY A 146 ? 0.6783 0.6065 0.3905 -0.0193 0.0778 0.0264 173 GLY A CA 1083 C C . GLY A 146 ? 0.6510 0.5937 0.3977 -0.0258 0.0805 0.0272 173 GLY A C 1084 O O . GLY A 146 ? 0.6523 0.6029 0.4115 -0.0283 0.0937 0.0300 173 GLY A O 1085 N N . THR A 147 ? 0.6385 0.5862 0.4005 -0.0285 0.0682 0.0240 174 THR A N 1086 C CA . THR A 147 ? 0.6147 0.5748 0.4051 -0.0340 0.0675 0.0246 174 THR A CA 1087 C C . THR A 147 ? 0.5967 0.5616 0.3971 -0.0318 0.0600 0.0182 174 THR A C 1088 O O . THR A 147 ? 0.5975 0.5556 0.3902 -0.0321 0.0505 0.0151 174 THR A O 1089 C CB . THR A 147 ? 0.6087 0.5658 0.4026 -0.0387 0.0607 0.0285 174 THR A CB 1090 O OG1 . THR A 147 ? 0.6315 0.5767 0.4089 -0.0385 0.0674 0.0356 174 THR A OG1 1091 C CG2 . THR A 147 ? 0.5939 0.5627 0.4144 -0.0447 0.0606 0.0281 174 THR A CG2 1092 N N . THR A 148 ? 0.5861 0.5625 0.4035 -0.0295 0.0647 0.0161 175 THR A N 1093 C CA . THR A 148 ? 0.5798 0.5561 0.4017 -0.0242 0.0590 0.0114 175 THR A CA 1094 C C . THR A 148 ? 0.5703 0.5468 0.4000 -0.0283 0.0484 0.0120 175 THR A C 1095 O O . THR A 148 ? 0.5516 0.5387 0.3962 -0.0330 0.0470 0.0140 175 THR A O 1096 C CB . THR A 148 ? 0.5783 0.5701 0.4179 -0.0177 0.0656 0.0089 175 THR A CB 1097 O OG1 . THR A 148 ? 0.5926 0.5846 0.4238 -0.0138 0.0778 0.0078 175 THR A OG1 1098 C CG2 . THR A 148 ? 0.5799 0.5670 0.4197 -0.0089 0.0590 0.0051 175 THR A CG2 1099 N N . PHE A 149 ? 0.5771 0.5406 0.3954 -0.0276 0.0421 0.0096 176 PHE A N 1100 C CA . PHE A 149 ? 0.5738 0.5354 0.3956 -0.0315 0.0345 0.0103 176 PHE A CA 1101 C C . PHE A 149 ? 0.5925 0.5411 0.4068 -0.0268 0.0320 0.0088 176 PHE A C 1102 O O . PHE A 149 ? 0.6088 0.5452 0.4124 -0.0215 0.0349 0.0060 176 PHE A O 1103 C CB . PHE A 149 ? 0.5695 0.5269 0.3843 -0.0390 0.0304 0.0100 176 PHE A CB 1104 C CG . PHE A 149 ? 0.5835 0.5283 0.3826 -0.0402 0.0294 0.0055 176 PHE A CG 1105 C CD1 . PHE A 149 ? 0.5952 0.5277 0.3884 -0.0434 0.0271 0.0025 176 PHE A CD1 1106 C CD2 . PHE A 149 ? 0.5986 0.5425 0.3874 -0.0390 0.0307 0.0040 176 PHE A CD2 1107 C CE1 . PHE A 149 ? 0.6118 0.5331 0.3929 -0.0470 0.0260 -0.0038 176 PHE A CE1 1108 C CE2 . PHE A 149 ? 0.6118 0.5460 0.3863 -0.0404 0.0278 -0.0024 176 PHE A CE2 1109 C CZ . PHE A 149 ? 0.6185 0.5424 0.3913 -0.0454 0.0253 -0.0073 176 PHE A CZ 1110 N N . ALA A 150 ? 0.5877 0.5361 0.4048 -0.0283 0.0271 0.0109 177 ALA A N 1111 C CA . ALA A 150 ? 0.6073 0.5368 0.4113 -0.0256 0.0252 0.0116 177 ALA A CA 1112 C C . ALA A 150 ? 0.6082 0.5310 0.4063 -0.0367 0.0239 0.0120 177 ALA A C 1113 O O . ALA A 150 ? 0.6104 0.5473 0.4179 -0.0424 0.0221 0.0122 177 ALA A O 1114 C CB . ALA A 150 ? 0.6075 0.5423 0.4163 -0.0163 0.0210 0.0142 177 ALA A CB 1115 N N . GLU A 151 ? 0.6227 0.5237 0.4061 -0.0403 0.0258 0.0112 178 GLU A N 1116 C CA . GLU A 151 ? 0.6303 0.5268 0.4104 -0.0520 0.0267 0.0109 178 GLU A CA 1117 C C . GLU A 151 ? 0.6321 0.5243 0.4067 -0.0492 0.0260 0.0166 178 GLU A C 1118 O O . GLU A 151 ? 0.6493 0.5262 0.4123 -0.0395 0.0254 0.0205 178 GLU A O 1119 C CB . GLU A 151 ? 0.6602 0.5334 0.4273 -0.0594 0.0308 0.0072 178 GLU A CB 1120 C CG . GLU A 151 ? 0.6691 0.5444 0.4373 -0.0622 0.0302 -0.0003 178 GLU A CG 1121 C CD . GLU A 151 ? 0.7044 0.5533 0.4591 -0.0696 0.0338 -0.0055 178 GLU A CD 1122 O OE1 . GLU A 151 ? 0.7162 0.5676 0.4750 -0.0836 0.0345 -0.0114 178 GLU A OE1 1123 O OE2 . GLU A 151 ? 0.7379 0.5633 0.4790 -0.0613 0.0362 -0.0045 178 GLU A OE2 1124 N N . GLY A 152 ? 0.6119 0.5167 0.3926 -0.0558 0.0257 0.0169 179 GLY A N 1125 C CA . GLY A 152 ? 0.6200 0.5214 0.3922 -0.0525 0.0248 0.0216 179 GLY A CA 1126 C C . GLY A 152 ? 0.6097 0.5217 0.3855 -0.0612 0.0269 0.0205 179 GLY A C 1127 O O . GLY A 152 ? 0.5973 0.5208 0.3846 -0.0701 0.0291 0.0157 179 GLY A O 1128 N N . VAL A 153 ? 0.6194 0.5281 0.3841 -0.0568 0.0258 0.0243 180 VAL A N 1129 C CA . VAL A 153 ? 0.6101 0.5268 0.3739 -0.0630 0.0291 0.0231 180 VAL A CA 1130 C C . VAL A 153 ? 0.6094 0.5348 0.3702 -0.0538 0.0219 0.0235 180 VAL A C 1131 O O . VAL A 153 ? 0.6060 0.5285 0.3621 -0.0430 0.0148 0.0258 180 VAL A O 1132 C CB . VAL A 153 ? 0.6385 0.5342 0.3828 -0.0715 0.0397 0.0269 180 VAL A CB 1133 C CG1 . VAL A 153 ? 0.6311 0.5292 0.3874 -0.0853 0.0465 0.0218 180 VAL A CG1 1134 C CG2 . VAL A 153 ? 0.6697 0.5346 0.3878 -0.0638 0.0402 0.0349 180 VAL A CG2 1135 N N . VAL A 154 ? 0.6004 0.5383 0.3652 -0.0576 0.0232 0.0198 181 VAL A N 1136 C CA . VAL A 154 ? 0.5947 0.5434 0.3596 -0.0507 0.0155 0.0169 181 VAL A CA 1137 C C . VAL A 154 ? 0.6169 0.5560 0.3571 -0.0498 0.0192 0.0189 181 VAL A C 1138 O O . VAL A 154 ? 0.6247 0.5596 0.3588 -0.0582 0.0300 0.0195 181 VAL A O 1139 C CB . VAL A 154 ? 0.5694 0.5377 0.3572 -0.0541 0.0134 0.0095 181 VAL A CB 1140 C CG1 . VAL A 154 ? 0.5710 0.5481 0.3594 -0.0490 0.0058 0.0044 181 VAL A CG1 1141 C CG2 . VAL A 154 ? 0.5562 0.5305 0.3627 -0.0545 0.0112 0.0091 181 VAL A CG2 1142 N N . ALA A 155 ? 0.6277 0.5650 0.3539 -0.0395 0.0103 0.0194 182 ALA A N 1143 C CA . ALA A 155 ? 0.6604 0.5893 0.3590 -0.0361 0.0118 0.0206 182 ALA A CA 1144 C C . ALA A 155 ? 0.6542 0.6014 0.3603 -0.0315 0.0015 0.0111 182 ALA A C 1145 O O . ALA A 155 ? 0.6309 0.5930 0.3590 -0.0287 -0.0086 0.0057 182 ALA A O 1146 C CB . ALA A 155 ? 0.6938 0.5996 0.3607 -0.0255 0.0089 0.0299 182 ALA A CB 1147 N N . PHE A 156 ? 0.6754 0.6204 0.3624 -0.0316 0.0053 0.0084 183 PHE A N 1148 C CA . PHE A 156 ? 0.6790 0.6369 0.3665 -0.0271 -0.0043 -0.0021 183 PHE A CA 1149 C C . PHE A 156 ? 0.7264 0.6718 0.3747 -0.0171 -0.0085 0.0002 183 PHE A C 1150 O O . PHE A 156 ? 0.7532 0.6808 0.3730 -0.0184 0.0036 0.0079 183 PHE A O 1151 C CB . PHE A 156 ? 0.6626 0.6299 0.3627 -0.0348 0.0038 -0.0102 183 PHE A CB 1152 C CG . PHE A 156 ? 0.6248 0.6015 0.3575 -0.0425 0.0078 -0.0113 183 PHE A CG 1153 C CD1 . PHE A 156 ? 0.6042 0.5918 0.3622 -0.0427 -0.0010 -0.0173 183 PHE A CD1 1154 C CD2 . PHE A 156 ? 0.6212 0.5953 0.3583 -0.0498 0.0204 -0.0064 183 PHE A CD2 1155 C CE1 . PHE A 156 ? 0.5755 0.5682 0.3577 -0.0480 0.0026 -0.0168 183 PHE A CE1 1156 C CE2 . PHE A 156 ? 0.5896 0.5729 0.3538 -0.0547 0.0219 -0.0078 183 PHE A CE2 1157 C CZ . PHE A 156 ? 0.5728 0.5638 0.3570 -0.0528 0.0129 -0.0122 183 PHE A CZ 1158 N N . LEU A 157 ? 0.7488 0.7042 0.3956 -0.0076 -0.0255 -0.0069 184 LEU A N 1159 C CA . LEU A 157 ? 0.8109 0.7562 0.4187 0.0056 -0.0344 -0.0053 184 LEU A CA 1160 C C . LEU A 157 ? 0.8176 0.7784 0.4241 0.0093 -0.0473 -0.0207 184 LEU A C 1161 O O . LEU A 157 ? 0.7752 0.7562 0.4160 0.0043 -0.0554 -0.0325 184 LEU A O 1162 C CB . LEU A 157 ? 0.8346 0.7787 0.4404 0.0182 -0.0480 0.0001 184 LEU A CB 1163 C CG . LEU A 157 ? 0.8536 0.7780 0.4554 0.0184 -0.0388 0.0146 184 LEU A CG 1164 C CD1 . LEU A 157 ? 0.8532 0.7906 0.4778 0.0276 -0.0525 0.0135 184 LEU A CD1 1165 C CD2 . LEU A 157 ? 0.9094 0.8004 0.4602 0.0262 -0.0317 0.0279 184 LEU A CD2 1166 N N . ILE A 158 ? 0.8767 0.8255 0.4409 0.0176 -0.0483 -0.0207 185 ILE A N 1167 C CA . ILE A 158 ? 0.9192 0.8797 0.4712 0.0267 -0.0665 -0.0347 185 ILE A CA 1168 C C . ILE A 158 ? 0.9626 0.9195 0.4930 0.0438 -0.0830 -0.0285 185 ILE A C 1169 O O . ILE A 158 ? 0.9947 0.9260 0.4829 0.0529 -0.0772 -0.0141 185 ILE A O 1170 C CB . ILE A 158 ? 0.9611 0.9096 0.4724 0.0291 -0.0594 -0.0388 185 ILE A CB 1171 C CG1 . ILE A 158 ? 0.9485 0.8970 0.4756 0.0149 -0.0390 -0.0418 185 ILE A CG1 1172 C CG2 . ILE A 158 ? 0.9783 0.9411 0.4809 0.0372 -0.0802 -0.0571 185 ILE A CG2 1173 C CD1 . ILE A 158 ? 0.9893 0.9310 0.4822 0.0174 -0.0317 -0.0496 185 ILE A CD1 1174 N N . LEU A 159 ? 0.9791 0.9613 0.5387 0.0484 -0.1029 -0.0392 186 LEU A N 1175 C CA . LEU A 159 ? 1.0353 1.0215 0.5790 0.0676 -0.1224 -0.0370 186 LEU A CA 1176 C C . LEU A 159 ? 1.1079 1.0961 0.6142 0.0802 -0.1384 -0.0473 186 LEU A C 1177 O O . LEU A 159 ? 1.0953 1.0964 0.6104 0.0719 -0.1414 -0.0639 186 LEU A O 1178 C CB . LEU A 159 ? 1.0095 1.0287 0.6048 0.0668 -0.1368 -0.0470 186 LEU A CB 1179 C CG . LEU A 159 ? 0.9845 1.0053 0.6185 0.0550 -0.1228 -0.0392 186 LEU A CG 1180 C CD1 . LEU A 159 ? 0.9577 1.0142 0.6425 0.0525 -0.1354 -0.0517 186 LEU A CD1 1181 C CD2 . LEU A 159 ? 1.0081 1.0011 0.6166 0.0645 -0.1139 -0.0193 186 LEU A CD2 1182 N N . PRO A 160 ? 1.2068 1.1797 0.6681 0.1013 -0.1491 -0.0380 187 PRO A N 1183 C CA . PRO A 160 ? 1.2777 1.2578 0.7052 0.1162 -0.1699 -0.0501 187 PRO A CA 1184 C C . PRO A 160 ? 1.2977 1.3214 0.7692 0.1201 -0.1969 -0.0704 187 PRO A C 1185 O O . PRO A 160 ? 1.2810 1.3205 0.7845 0.1250 -0.2040 -0.0674 187 PRO A O 1186 C CB . PRO A 160 ? 1.3250 1.2727 0.6917 0.1390 -0.1725 -0.0310 187 PRO A CB 1187 C CG . PRO A 160 ? 1.3027 1.2418 0.6908 0.1402 -0.1654 -0.0156 187 PRO A CG 1188 C CD . PRO A 160 ? 1.2335 1.1821 0.6735 0.1143 -0.1455 -0.0176 187 PRO A CD 1189 N N . GLN A 161 ? 1.3548 1.3986 0.8300 0.1167 -0.2105 -0.0922 188 GLN A N 1190 C CA . GLN A 161 ? 1.3798 1.4680 0.9017 0.1157 -0.2352 -0.1153 188 GLN A CA 1191 C C . GLN A 161 ? 1.4294 1.5371 0.9442 0.1410 -0.2622 -0.1162 188 GLN A C 1192 O O . GLN A 161 ? 1.4047 1.5531 0.9701 0.1395 -0.2787 -0.1314 188 GLN A O 1193 C CB . GLN A 161 ? 1.4010 1.5025 0.9233 0.1065 -0.2447 -0.1401 188 GLN A CB 1194 C CG . GLN A 161 ? 1.4795 1.5633 0.9344 0.1235 -0.2547 -0.1430 188 GLN A CG 1195 C CD . GLN A 161 ? 1.5039 1.5516 0.9209 0.1150 -0.2284 -0.1342 188 GLN A CD 1196 O OE1 . GLN A 161 ? 1.4869 1.5079 0.8929 0.1113 -0.2041 -0.1120 188 GLN A OE1 1197 N NE2 . GLN A 161 ? 1.5351 1.5834 0.9338 0.1116 -0.2329 -0.1531 188 GLN A NE2 1198 N N . ALA A 162 ? 1.5196 1.5983 0.9719 0.1644 -0.2661 -0.1003 189 ALA A N 1199 C CA . ALA A 162 ? 1.5968 1.6868 1.0358 0.1930 -0.2905 -0.0969 189 ALA A CA 1200 C C . ALA A 162 ? 1.5938 1.6895 1.0716 0.1949 -0.2839 -0.0845 189 ALA A C 1201 O O . ALA A 162 ? 1.5741 1.7123 1.0997 0.2002 -0.3020 -0.0976 189 ALA A O 1202 C CB . ALA A 162 ? 1.6698 1.7175 1.0251 0.2176 -0.2926 -0.0795 189 ALA A CB 1203 N N . LYS A 163 ? 1.6309 1.6854 1.0894 0.1898 -0.2575 -0.0608 190 LYS A N 1204 C CA . LYS A 163 ? 1.6523 1.7038 1.1377 0.1933 -0.2495 -0.0476 190 LYS A CA 1205 C C . LYS A 163 ? 1.6196 1.7124 1.1828 0.1728 -0.2463 -0.0617 190 LYS A C 1206 O O . LYS A 163 ? 1.5636 1.6484 1.1501 0.1480 -0.2236 -0.0593 190 LYS A O 1207 C CB . LYS A 163 ? 1.6632 1.6615 1.1141 0.1866 -0.2201 -0.0224 190 LYS A CB 1208 N N . LYS A 164 ? 1.6431 1.7805 1.2449 0.1841 -0.2690 -0.0766 191 LYS A N 1209 C CA . LYS A 164 ? 1.6028 1.7825 1.2784 0.1664 -0.2665 -0.0905 191 LYS A CA 1210 C C . LYS A 164 ? 1.5922 1.7636 1.2898 0.1676 -0.2511 -0.0759 191 LYS A C 1211 O O . LYS A 164 ? 1.5430 1.7359 1.2927 0.1482 -0.2394 -0.0821 191 LYS A O 1212 C CB . LYS A 164 ? 1.6028 1.8387 1.3150 0.1766 -0.2963 -0.1146 191 LYS A CB 1213 N N . ASP A 165 ? 1.6393 1.7766 1.2943 0.1903 -0.2503 -0.0568 192 ASP A N 1214 C CA . ASP A 165 ? 1.6254 1.7482 1.2932 0.1942 -0.2361 -0.0429 192 ASP A CA 1215 C C . ASP A 165 ? 1.6026 1.6877 1.2640 0.1703 -0.2053 -0.0287 192 ASP A C 1216 O O . ASP A 165 ? 1.6304 1.6718 1.2564 0.1768 -0.1923 -0.0098 192 ASP A O 1217 C CB . ASP A 165 ? 1.6811 1.7781 1.3049 0.2289 -0.2477 -0.0288 192 ASP A CB 1218 C CG . ASP A 165 ? 1.7422 1.7858 1.2893 0.2391 -0.2453 -0.0124 192 ASP A CG 1219 O OD1 . ASP A 165 ? 1.7324 1.7563 1.2608 0.2182 -0.2304 -0.0099 192 ASP A OD1 1220 O OD2 . ASP A 165 ? 1.8013 1.8222 1.3055 0.2692 -0.2580 -0.0017 192 ASP A OD2 1221 N N . PHE A 166 ? 1.5510 1.6535 1.2481 0.1429 -0.1943 -0.0387 193 PHE A N 1222 C CA . PHE A 166 ? 1.5193 1.5924 1.2128 0.1208 -0.1682 -0.0282 193 PHE A CA 1223 C C . PHE A 166 ? 1.4453 1.5488 1.1957 0.0978 -0.1599 -0.0400 193 PHE A C 1224 O O . PHE A 166 ? 1.4308 1.5490 1.1966 0.0822 -0.1606 -0.0522 193 PHE A O 1225 C CB . PHE A 166 ? 1.5507 1.5953 1.2002 0.1142 -0.1618 -0.0239 193 PHE A CB 1226 C CG . PHE A 166 ? 1.5817 1.5803 1.1971 0.1085 -0.1396 -0.0048 193 PHE A CG 1227 C CD1 . PHE A 166 ? 1.6406 1.6009 1.1994 0.1246 -0.1389 0.0101 193 PHE A CD1 1228 C CD2 . PHE A 166 ? 1.5453 1.5386 1.1851 0.0870 -0.1193 -0.0019 193 PHE A CD2 1229 C CE1 . PHE A 166 ? 1.6561 1.5747 1.1870 0.1161 -0.1167 0.0265 193 PHE A CE1 1230 C CE2 . PHE A 166 ? 1.5614 1.5170 1.1747 0.0801 -0.0996 0.0131 193 PHE A CE2 1231 C CZ . PHE A 166 ? 1.6200 1.5387 1.1806 0.0932 -0.0975 0.0269 193 PHE A CZ 1232 N N . PHE A 167 ? 1.3995 1.5098 1.1783 0.0973 -0.1518 -0.0363 194 PHE A N 1233 C CA . PHE A 167 ? 1.3237 1.4611 1.1542 0.0783 -0.1427 -0.0453 194 PHE A CA 1234 C C . PHE A 167 ? 1.3144 1.5006 1.1866 0.0768 -0.1588 -0.0656 194 PHE A C 1235 O O . PHE A 167 ? 1.2961 1.4973 1.1936 0.0568 -0.1556 -0.0768 194 PHE A O 1236 C CB . PHE A 167 ? 1.2758 1.3931 1.1050 0.0548 -0.1239 -0.0415 194 PHE A CB 1237 C CG . PHE A 167 ? 1.2698 1.3443 1.0602 0.0555 -0.1097 -0.0244 194 PHE A CG 1238 C CD1 . PHE A 167 ? 1.2831 1.3349 1.0443 0.0477 -0.1033 -0.0208 194 PHE A CD1 1239 C CD2 . PHE A 167 ? 1.2562 1.3136 1.0396 0.0641 -0.1027 -0.0130 194 PHE A CD2 1240 C CE1 . PHE A 167 ? 1.2871 1.3030 1.0165 0.0463 -0.0892 -0.0064 194 PHE A CE1 1241 C CE2 . PHE A 167 ? 1.2615 1.2794 1.0111 0.0624 -0.0895 0.0010 194 PHE A CE2 1242 C CZ . PHE A 167 ? 1.2720 1.2706 0.9960 0.0527 -0.0825 0.0043 194 PHE A CZ 1243 N N . SER A 168 ? 1.3267 1.5366 1.2056 0.0987 -0.1763 -0.0704 195 SER A N 1244 C CA . SER A 168 ? 1.3248 1.5879 1.2471 0.1008 -0.1942 -0.0911 195 SER A CA 1245 C C . SER A 168 ? 1.3393 1.6128 1.2492 0.0990 -0.2118 -0.1047 195 SER A C 1246 O O . SER A 168 ? 1.3490 1.6567 1.2694 0.1138 -0.2352 -0.1187 195 SER A O 1247 C CB . SER A 168 ? 1.2800 1.5730 1.2598 0.0781 -0.1807 -0.1007 195 SER A CB 1248 O OG . SER A 168 ? 1.2640 1.5540 1.2537 0.0523 -0.1733 -0.1083 195 SER A OG 1249 N N . SER A 184 ? 1.1086 1.5097 1.2507 0.2664 -0.1194 -0.0914 211 SER A N 1250 C CA . SER A 184 ? 1.0982 1.4831 1.2419 0.2600 -0.0936 -0.0883 211 SER A CA 1251 C C . SER A 184 ? 1.0494 1.4258 1.1976 0.2197 -0.0724 -0.0849 211 SER A C 1252 O O . SER A 184 ? 1.0576 1.4080 1.1819 0.2001 -0.0757 -0.0772 211 SER A O 1253 C CB . SER A 184 ? 1.1364 1.4528 1.2228 0.2798 -0.0913 -0.0732 211 SER A CB 1254 O OG . SER A 184 ? 1.1744 1.4949 1.2552 0.3199 -0.1088 -0.0758 211 SER A OG 1255 N N . GLY A 185 ? 0.9992 1.3962 1.1758 0.2094 -0.0503 -0.0904 212 GLY A N 1256 C CA . GLY A 185 ? 0.9376 1.3321 1.1222 0.1737 -0.0297 -0.0882 212 GLY A CA 1257 C C . GLY A 185 ? 0.9084 1.2383 1.0418 0.1614 -0.0178 -0.0724 212 GLY A C 1258 O O . GLY A 185 ? 0.9287 1.2118 1.0187 0.1768 -0.0251 -0.0627 212 GLY A O 1259 N N . TYR A 186 ? 0.8446 1.1723 0.9838 0.1332 0.0005 -0.0703 213 TYR A N 1260 C CA . TYR A 186 ? 0.8064 1.0811 0.9032 0.1189 0.0116 -0.0575 213 TYR A CA 1261 C C . TYR A 186 ? 0.8190 1.0892 0.9151 0.1182 0.0338 -0.0582 213 TYR A C 1262 O O . TYR A 186 ? 0.8059 1.1116 0.9355 0.1071 0.0488 -0.0651 213 TYR A O 1263 C CB . TYR A 186 ? 0.7536 1.0245 0.8509 0.0897 0.0138 -0.0539 213 TYR A CB 1264 C CG . TYR A 186 ? 0.7229 0.9493 0.7848 0.0740 0.0263 -0.0428 213 TYR A CG 1265 C CD1 . TYR A 186 ? 0.7251 0.9048 0.7441 0.0829 0.0227 -0.0340 213 TYR A CD1 1266 C CD2 . TYR A 186 ? 0.6937 0.9242 0.7647 0.0504 0.0414 -0.0416 213 TYR A CD2 1267 C CE1 . TYR A 186 ? 0.7152 0.8596 0.7055 0.0688 0.0324 -0.0262 213 TYR A CE1 1268 C CE2 . TYR A 186 ? 0.6853 0.8774 0.7233 0.0389 0.0505 -0.0321 213 TYR A CE2 1269 C CZ . TYR A 186 ? 0.6960 0.8482 0.6959 0.0481 0.0451 -0.0254 213 TYR A CZ 1270 O OH . TYR A 186 ? 0.6834 0.8024 0.6539 0.0370 0.0522 -0.0182 213 TYR A OH 1271 N N . TYR A 187 ? 0.8462 1.0716 0.9029 0.1294 0.0364 -0.0515 214 TYR A N 1272 C CA . TYR A 187 ? 0.8739 1.0876 0.9209 0.1307 0.0558 -0.0526 214 TYR A CA 1273 C C . TYR A 187 ? 0.8379 0.9963 0.8377 0.1198 0.0592 -0.0424 214 TYR A C 1274 O O . TYR A 187 ? 0.8676 0.9902 0.8379 0.1252 0.0467 -0.0361 214 TYR A O 1275 C CB . TYR A 187 ? 0.9378 1.1584 0.9896 0.1614 0.0549 -0.0599 214 TYR A CB 1276 C CG . TYR A 187 ? 1.0064 1.2165 1.0478 0.1662 0.0751 -0.0634 214 TYR A CG 1277 C CD1 . TYR A 187 ? 1.0084 1.2392 1.0646 0.1477 0.0961 -0.0658 214 TYR A CD1 1278 C CD2 . TYR A 187 ? 1.0655 1.2422 1.0794 0.1900 0.0739 -0.0647 214 TYR A CD2 1279 C CE1 . TYR A 187 ? 1.0504 1.2707 1.0926 0.1533 0.1147 -0.0693 214 TYR A CE1 1280 C CE2 . TYR A 187 ? 1.0976 1.2636 1.0997 0.1953 0.0919 -0.0697 214 TYR A CE2 1281 C CZ . TYR A 187 ? 1.0965 1.2857 1.1123 0.1772 0.1121 -0.0721 214 TYR A CZ 1282 O OH . TYR A 187 ? 1.1478 1.3257 1.1478 0.1834 0.1303 -0.0774 214 TYR A OH 1283 N N . SER A 188 ? 0.7825 0.9355 0.7755 0.1042 0.0762 -0.0411 215 SER A N 1284 C CA . SER A 188 ? 0.7480 0.8567 0.7014 0.0921 0.0790 -0.0335 215 SER A CA 1285 C C . SER A 188 ? 0.7456 0.8413 0.6819 0.0964 0.0954 -0.0369 215 SER A C 1286 O O . SER A 188 ? 0.7433 0.8683 0.7006 0.0970 0.1104 -0.0423 215 SER A O 1287 C CB . SER A 188 ? 0.7176 0.8302 0.6742 0.0675 0.0808 -0.0276 215 SER A CB 1288 O OG . SER A 188 ? 0.7251 0.7989 0.6462 0.0578 0.0794 -0.0211 215 SER A OG 1289 N N . THR A 189 ? 0.7383 0.7905 0.6366 0.0982 0.0930 -0.0347 216 THR A N 1290 C CA . THR A 189 ? 0.7454 0.7795 0.6213 0.1041 0.1058 -0.0397 216 THR A CA 1291 C C . THR A 189 ? 0.7360 0.7367 0.5779 0.0881 0.1055 -0.0353 216 THR A C 1292 O O . THR A 189 ? 0.7291 0.7029 0.5540 0.0825 0.0933 -0.0312 216 THR A O 1293 C CB . THR A 189 ? 0.7763 0.7872 0.6381 0.1274 0.1016 -0.0456 216 THR A CB 1294 O OG1 . THR A 189 ? 0.7747 0.8183 0.6685 0.1459 0.0990 -0.0502 216 THR A OG1 1295 C CG2 . THR A 189 ? 0.8089 0.8013 0.6472 0.1343 0.1153 -0.0533 216 THR A CG2 1296 N N . THR A 190 ? 0.7349 0.7384 0.5666 0.0813 0.1193 -0.0366 217 THR A N 1297 C CA . THR A 190 ? 0.7358 0.7124 0.5357 0.0682 0.1180 -0.0337 217 THR A CA 1298 C C . THR A 190 ? 0.7650 0.7094 0.5329 0.0779 0.1191 -0.0419 217 THR A C 1299 O O . THR A 190 ? 0.7960 0.7443 0.5611 0.0911 0.1307 -0.0494 217 THR A O 1300 C CB . THR A 190 ? 0.7296 0.7219 0.5291 0.0566 0.1312 -0.0296 217 THR A CB 1301 O OG1 . THR A 190 ? 0.6981 0.7145 0.5261 0.0454 0.1292 -0.0226 217 THR A OG1 1302 C CG2 . THR A 190 ? 0.7425 0.7079 0.5064 0.0470 0.1278 -0.0273 217 THR A CG2 1303 N N . ILE A 191 ? 0.7707 0.6843 0.5160 0.0706 0.1074 -0.0418 218 ILE A N 1304 C CA . ILE A 191 ? 0.8051 0.6845 0.5189 0.0753 0.1067 -0.0510 218 ILE A CA 1305 C C . ILE A 191 ? 0.8122 0.6828 0.5036 0.0605 0.1040 -0.0509 218 ILE A C 1306 O O . ILE A 191 ? 0.7799 0.6494 0.4740 0.0469 0.0936 -0.0450 218 ILE A O 1307 C CB . ILE A 191 ? 0.8164 0.6658 0.5237 0.0781 0.0952 -0.0523 218 ILE A CB 1308 C CG1 . ILE A 191 ? 0.8183 0.6768 0.5457 0.0961 0.0956 -0.0512 218 ILE A CG1 1309 C CG2 . ILE A 191 ? 0.8573 0.6680 0.5323 0.0804 0.0950 -0.0636 218 ILE A CG2 1310 C CD1 . ILE A 191 ? 0.8355 0.6617 0.5536 0.1002 0.0852 -0.0493 218 ILE A CD1 1311 N N . ARG A 192 ? 0.8463 0.7118 0.5148 0.0650 0.1132 -0.0578 219 ARG A N 1312 C CA . ARG A 192 ? 0.8664 0.7267 0.5107 0.0548 0.1108 -0.0579 219 ARG A CA 1313 C C . ARG A 192 ? 0.8844 0.7135 0.5003 0.0522 0.1008 -0.0697 219 ARG A C 1314 O O . ARG A 192 ? 0.9042 0.7127 0.5085 0.0618 0.1033 -0.0804 219 ARG A O 1315 C CB . ARG A 192 ? 0.8999 0.7735 0.5321 0.0606 0.1274 -0.0576 219 ARG A CB 1316 C CG . ARG A 192 ? 0.8970 0.8021 0.5593 0.0584 0.1382 -0.0464 219 ARG A CG 1317 C CD . ARG A 192 ? 0.9461 0.8617 0.5940 0.0594 0.1564 -0.0434 219 ARG A CD 1318 N NE . ARG A 192 ? 0.9516 0.8916 0.6257 0.0498 0.1634 -0.0312 219 ARG A NE 1319 C CZ . ARG A 192 ? 0.9552 0.9229 0.6671 0.0511 0.1728 -0.0295 219 ARG A CZ 1320 N NH1 . ARG A 192 ? 0.9484 0.9347 0.6818 0.0394 0.1782 -0.0196 219 ARG A NH1 1321 N NH2 . ARG A 192 ? 0.9623 0.9396 0.6915 0.0646 0.1761 -0.0384 219 ARG A NH2 1322 N N . TYR A 193 ? 0.8834 0.7099 0.4902 0.0393 0.0891 -0.0688 220 TYR A N 1323 C CA . TYR A 193 ? 0.9177 0.7206 0.5021 0.0332 0.0779 -0.0814 220 TYR A CA 1324 C C . TYR A 193 ? 0.9392 0.7486 0.5019 0.0282 0.0718 -0.0830 220 TYR A C 1325 O O . TYR A 193 ? 0.9146 0.7434 0.4857 0.0245 0.0712 -0.0711 220 TYR A O 1326 C CB . TYR A 193 ? 0.9025 0.6977 0.5034 0.0204 0.0657 -0.0803 220 TYR A CB 1327 C CG . TYR A 193 ? 0.8957 0.6819 0.5153 0.0244 0.0685 -0.0760 220 TYR A CG 1328 C CD1 . TYR A 193 ? 0.8668 0.6750 0.5125 0.0273 0.0718 -0.0627 220 TYR A CD1 1329 C CD2 . TYR A 193 ? 0.9243 0.6778 0.5337 0.0251 0.0667 -0.0853 220 TYR A CD2 1330 C CE1 . TYR A 193 ? 0.8626 0.6630 0.5223 0.0330 0.0720 -0.0588 220 TYR A CE1 1331 C CE2 . TYR A 193 ? 0.9270 0.6680 0.5484 0.0309 0.0684 -0.0797 220 TYR A CE2 1332 C CZ . TYR A 193 ? 0.8925 0.6584 0.5385 0.0358 0.0703 -0.0664 220 TYR A CZ 1333 O OH . TYR A 193 ? 0.8905 0.6449 0.5453 0.0439 0.0701 -0.0610 220 TYR A OH 1334 N N . GLN A 194 ? 0.9939 0.7854 0.5279 0.0287 0.0661 -0.0982 221 GLN A N 1335 C CA . GLN A 194 ? 1.0294 0.8253 0.5411 0.0243 0.0547 -0.1028 221 GLN A CA 1336 C C . GLN A 194 ? 1.0203 0.8089 0.5385 0.0103 0.0373 -0.1140 221 GLN A C 1337 O O . GLN A 194 ? 1.0409 0.8088 0.5625 0.0062 0.0369 -0.1242 221 GLN A O 1338 C CB . GLN A 194 ? 1.0984 0.8826 0.5701 0.0354 0.0600 -0.1137 221 GLN A CB 1339 C CG . GLN A 194 ? 1.1379 0.9323 0.6000 0.0475 0.0791 -0.1025 221 GLN A CG 1340 C CD . GLN A 194 ? 1.1572 0.9684 0.6139 0.0459 0.0783 -0.0874 221 GLN A CD 1341 O OE1 . GLN A 194 ? 1.1648 0.9830 0.6279 0.0377 0.0624 -0.0846 221 GLN A OE1 1342 N NE2 . GLN A 194 ? 1.1892 1.0061 0.6337 0.0541 0.0968 -0.0777 221 GLN A NE2 1343 N N . ALA A 195 ? 1.0001 0.8053 0.5205 0.0031 0.0239 -0.1123 222 ALA A N 1344 C CA . ALA A 195 ? 0.9992 0.8056 0.5324 -0.0117 0.0080 -0.1233 222 ALA A CA 1345 C C . ALA A 195 ? 1.0184 0.8366 0.5325 -0.0123 -0.0083 -0.1338 222 ALA A C 1346 O O . ALA A 195 ? 1.0245 0.8550 0.5226 -0.0024 -0.0094 -0.1250 222 ALA A O 1347 C CB . ALA A 195 ? 0.9628 0.7848 0.5320 -0.0213 0.0065 -0.1104 222 ALA A CB 1348 N N . THR A 196 ? 1.0341 0.8474 0.5490 -0.0239 -0.0212 -0.1532 223 THR A N 1349 C CA . THR A 196 ? 1.0514 0.8828 0.5576 -0.0266 -0.0410 -0.1657 223 THR A CA 1350 C C . THR A 196 ? 1.0408 0.8866 0.5834 -0.0460 -0.0515 -0.1733 223 THR A C 1351 O O . THR A 196 ? 1.0274 0.8573 0.5890 -0.0587 -0.0439 -0.1756 223 THR A O 1352 C CB . THR A 196 ? 1.0966 0.9125 0.5666 -0.0226 -0.0481 -0.1876 223 THR A CB 1353 O OG1 . THR A 196 ? 1.1151 0.9069 0.5923 -0.0356 -0.0455 -0.2038 223 THR A OG1 1354 C CG2 . THR A 196 ? 1.1152 0.9171 0.5474 -0.0033 -0.0348 -0.1803 223 THR A CG2 1355 N N . GLY A 197 ? 1.0485 0.9239 0.5997 -0.0472 -0.0683 -0.1767 224 GLY A N 1356 C CA . GLY A 197 ? 1.0400 0.9372 0.6293 -0.0649 -0.0777 -0.1840 224 GLY A CA 1357 C C . GLY A 197 ? 1.0172 0.9159 0.6379 -0.0717 -0.0646 -0.1661 224 GLY A C 1358 O O . GLY A 197 ? 1.0132 0.9108 0.6602 -0.0897 -0.0622 -0.1720 224 GLY A O 1359 N N . PHE A 198 ? 1.0129 0.9131 0.6294 -0.0580 -0.0555 -0.1447 225 PHE A N 1360 C CA . PHE A 198 ? 0.9871 0.8880 0.6293 -0.0621 -0.0436 -0.1277 225 PHE A CA 1361 C C . PHE A 198 ? 0.9873 0.9159 0.6623 -0.0733 -0.0519 -0.1293 225 PHE A C 1362 O O . PHE A 198 ? 0.9892 0.9431 0.6662 -0.0685 -0.0660 -0.1337 225 PHE A O 1363 C CB . PHE A 198 ? 0.9640 0.8652 0.5963 -0.0463 -0.0344 -0.1074 225 PHE A CB 1364 C CG . PHE A 198 ? 0.9309 0.8324 0.5874 -0.0497 -0.0231 -0.0918 225 PHE A CG 1365 C CD1 . PHE A 198 ? 0.9025 0.8257 0.5820 -0.0525 -0.0273 -0.0841 225 PHE A CD1 1366 C CD2 . PHE A 198 ? 0.9265 0.8072 0.5823 -0.0486 -0.0092 -0.0861 225 PHE A CD2 1367 C CE1 . PHE A 198 ? 0.8699 0.7930 0.5691 -0.0555 -0.0178 -0.0714 225 PHE A CE1 1368 C CE2 . PHE A 198 ? 0.9009 0.7834 0.5773 -0.0505 -0.0011 -0.0730 225 PHE A CE2 1369 C CZ . PHE A 198 ? 0.8693 0.7725 0.5664 -0.0546 -0.0054 -0.0659 225 PHE A CZ 1370 N N . GLY A 199 ? 0.9908 0.9140 0.6897 -0.0866 -0.0429 -0.1256 226 GLY A N 1371 C CA . GLY A 199 ? 0.9964 0.9450 0.7276 -0.0986 -0.0469 -0.1271 226 GLY A CA 1372 C C . GLY A 199 ? 1.0372 1.0014 0.7842 -0.1152 -0.0575 -0.1491 226 GLY A C 1373 O O . GLY A 199 ? 1.0273 1.0234 0.8009 -0.1212 -0.0646 -0.1533 226 GLY A O 1374 N N . THR A 200 ? 1.1079 1.0506 0.8403 -0.1231 -0.0584 -0.1643 227 THR A N 1375 C CA . THR A 200 ? 1.1661 1.1216 0.9139 -0.1418 -0.0683 -0.1884 227 THR A CA 1376 C C . THR A 200 ? 1.2510 1.1689 0.9971 -0.1607 -0.0556 -0.1958 227 THR A C 1377 O O . THR A 200 ? 1.2494 1.1340 0.9832 -0.1568 -0.0404 -0.1812 227 THR A O 1378 C CB . THR A 200 ? 1.1844 1.1524 0.9119 -0.1326 -0.0872 -0.2057 227 THR A CB 1379 O OG1 . THR A 200 ? 1.1981 1.1288 0.8907 -0.1271 -0.0825 -0.2099 227 THR A OG1 1380 C CG2 . THR A 200 ? 1.1642 1.1578 0.8821 -0.1098 -0.0981 -0.1947 227 THR A CG2 1381 N N . ASN A 201 ? 1.3613 1.2848 1.1207 -0.1810 -0.0622 -0.2189 228 ASN A N 1382 C CA . ASN A 201 ? 1.4573 1.3396 1.2113 -0.2004 -0.0510 -0.2290 228 ASN A CA 1383 C C . ASN A 201 ? 1.4600 1.3019 1.1746 -0.1893 -0.0503 -0.2347 228 ASN A C 1384 O O . ASN A 201 ? 1.4886 1.2853 1.1885 -0.1919 -0.0356 -0.2291 228 ASN A O 1385 C CB . ASN A 201 ? 1.5615 1.4634 1.3453 -0.2289 -0.0572 -0.2538 228 ASN A CB 1386 C CG . ASN A 201 ? 1.6841 1.6216 1.4694 -0.2260 -0.0811 -0.2777 228 ASN A CG 1387 O OD1 . ASN A 201 ? 1.7090 1.6432 1.4634 -0.2041 -0.0913 -0.2772 228 ASN A OD1 1388 N ND2 . ASN A 201 ? 1.8169 1.7900 1.6378 -0.2478 -0.0902 -0.2992 228 ASN A ND2 1389 N N . GLU A 202 ? 1.4270 1.2841 1.1226 -0.1754 -0.0660 -0.2456 229 GLU A N 1390 C CA . GLU A 202 ? 1.4277 1.2508 1.0843 -0.1640 -0.0660 -0.2541 229 GLU A CA 1391 C C . GLU A 202 ? 1.3620 1.1787 0.9919 -0.1356 -0.0599 -0.2332 229 GLU A C 1392 O O . GLU A 202 ? 1.3805 1.2014 0.9825 -0.1196 -0.0683 -0.2385 229 GLU A O 1393 C CB . GLU A 202 ? 1.4806 1.3217 1.1279 -0.1673 -0.0866 -0.2818 229 GLU A CB 1394 C CG . GLU A 202 ? 1.5252 1.3687 1.1971 -0.1976 -0.0922 -0.3080 229 GLU A CG 1395 C CD . GLU A 202 ? 1.5788 1.3659 1.2338 -0.2108 -0.0794 -0.3187 229 GLU A CD 1396 O OE1 . GLU A 202 ? 1.5876 1.3438 1.2504 -0.2196 -0.0604 -0.3045 229 GLU A OE1 1397 O OE2 . GLU A 202 ? 1.6186 1.3901 1.2504 -0.2118 -0.0886 -0.3418 229 GLU A OE2 1398 N N . THR A 203 ? 1.2825 1.0893 0.9204 -0.1302 -0.0448 -0.2101 230 THR A N 1399 C CA . THR A 203 ? 1.2239 1.0254 0.8431 -0.1067 -0.0365 -0.1907 230 THR A CA 1400 C C . THR A 203 ? 1.2254 0.9845 0.8170 -0.0985 -0.0254 -0.1941 230 THR A C 1401 O O . THR A 203 ? 1.2500 0.9770 0.8436 -0.1099 -0.0179 -0.1997 230 THR A O 1402 C CB . THR A 203 ? 1.1754 0.9856 0.8165 -0.1044 -0.0261 -0.1669 230 THR A CB 1403 O OG1 . THR A 203 ? 1.1422 0.9881 0.8112 -0.1140 -0.0348 -0.1659 230 THR A OG1 1404 C CG2 . THR A 203 ? 1.1558 0.9703 0.7832 -0.0823 -0.0197 -0.1489 230 THR A CG2 1405 N N . GLU A 204 ? 1.1971 0.9548 0.7621 -0.0782 -0.0233 -0.1905 231 GLU A N 1406 C CA . GLU A 204 ? 1.2026 0.9247 0.7415 -0.0664 -0.0118 -0.1940 231 GLU A CA 1407 C C . GLU A 204 ? 1.1357 0.8636 0.6709 -0.0463 0.0008 -0.1731 231 GLU A C 1408 O O . GLU A 204 ? 1.0961 0.8512 0.6294 -0.0377 -0.0017 -0.1632 231 GLU A O 1409 C CB . GLU A 204 ? 1.2595 0.9735 0.7658 -0.0617 -0.0202 -0.2155 231 GLU A CB 1410 C CG . GLU A 204 ? 1.3070 1.0212 0.8177 -0.0820 -0.0356 -0.2400 231 GLU A CG 1411 C CD . GLU A 204 ? 1.3554 1.0275 0.8669 -0.0970 -0.0290 -0.2536 231 GLU A CD 1412 O OE1 . GLU A 204 ? 1.3648 1.0151 0.8882 -0.0983 -0.0152 -0.2396 231 GLU A OE1 1413 O OE2 . GLU A 204 ? 1.4038 1.0625 0.9023 -0.1074 -0.0382 -0.2789 231 GLU A OE2 1414 N N . TYR A 205 ? 1.1084 0.8102 0.6426 -0.0390 0.0143 -0.1672 232 TYR A N 1415 C CA . TYR A 205 ? 1.0676 0.7774 0.6052 -0.0215 0.0269 -0.1493 232 TYR A CA 1416 C C . TYR A 205 ? 1.0821 0.7683 0.5955 -0.0043 0.0380 -0.1561 232 TYR A C 1417 O O . TYR A 205 ? 1.1115 0.7636 0.6116 -0.0058 0.0392 -0.1701 232 TYR A O 1418 C CB . TYR A 205 ? 1.0477 0.7548 0.6118 -0.0252 0.0323 -0.1343 232 TYR A CB 1419 C CG . TYR A 205 ? 1.0149 0.7496 0.6041 -0.0384 0.0247 -0.1248 232 TYR A CG 1420 C CD1 . TYR A 205 ? 1.0179 0.7450 0.6208 -0.0574 0.0194 -0.1295 232 TYR A CD1 1421 C CD2 . TYR A 205 ? 0.9850 0.7521 0.5837 -0.0323 0.0241 -0.1116 232 TYR A CD2 1422 C CE1 . TYR A 205 ? 0.9925 0.7471 0.6192 -0.0682 0.0137 -0.1218 232 TYR A CE1 1423 C CE2 . TYR A 205 ? 0.9632 0.7539 0.5838 -0.0425 0.0173 -0.1038 232 TYR A CE2 1424 C CZ . TYR A 205 ? 0.9639 0.7500 0.5989 -0.0596 0.0121 -0.1093 232 TYR A CZ 1425 O OH . TYR A 205 ? 0.9566 0.7683 0.6139 -0.0684 0.0065 -0.1026 232 TYR A OH 1426 N N . LEU A 206 ? 1.0553 0.7594 0.5637 0.0115 0.0473 -0.1465 233 LEU A N 1427 C CA . LEU A 206 ? 1.0734 0.7628 0.5643 0.0300 0.0608 -0.1510 233 LEU A CA 1428 C C . LEU A 206 ? 1.0328 0.7418 0.5464 0.0417 0.0732 -0.1332 233 LEU A C 1429 O O . LEU A 206 ? 1.0055 0.7444 0.5327 0.0398 0.0739 -0.1198 233 LEU A O 1430 C CB . LEU A 206 ? 1.1002 0.7949 0.5583 0.0380 0.0622 -0.1605 233 LEU A CB 1431 C CG . LEU A 206 ? 1.1383 0.8132 0.5687 0.0300 0.0495 -0.1828 233 LEU A CG 1432 C CD1 . LEU A 206 ? 1.1605 0.8491 0.5587 0.0376 0.0476 -0.1873 233 LEU A CD1 1433 C CD2 . LEU A 206 ? 1.1794 0.8140 0.5944 0.0346 0.0543 -0.2001 233 LEU A CD2 1434 N N . PHE A 207 ? 1.0365 0.7283 0.5548 0.0541 0.0821 -0.1340 234 PHE A N 1435 C CA . PHE A 207 ? 1.0066 0.7202 0.5471 0.0680 0.0936 -0.1211 234 PHE A CA 1436 C C . PHE A 207 ? 1.0272 0.7545 0.5529 0.0828 0.1078 -0.1250 234 PHE A C 1437 O O . PHE A 207 ? 1.0528 0.7582 0.5515 0.0917 0.1122 -0.1400 234 PHE A O 1438 C CB . PHE A 207 ? 1.0115 0.7021 0.5618 0.0783 0.0959 -0.1210 234 PHE A CB 1439 C CG . PHE A 207 ? 0.9969 0.7095 0.5667 0.0977 0.1075 -0.1139 234 PHE A CG 1440 C CD1 . PHE A 207 ? 1.0318 0.7270 0.5926 0.1185 0.1166 -0.1234 234 PHE A CD1 1441 C CD2 . PHE A 207 ? 0.9527 0.7048 0.5514 0.0953 0.1094 -0.0994 234 PHE A CD2 1442 C CE1 . PHE A 207 ? 1.0243 0.7462 0.6078 0.1372 0.1269 -0.1186 234 PHE A CE1 1443 C CE2 . PHE A 207 ? 0.9454 0.7228 0.5666 0.1115 0.1197 -0.0951 234 PHE A CE2 1444 C CZ . PHE A 207 ? 0.9763 0.7412 0.5916 0.1328 0.1282 -0.1048 234 PHE A CZ 1445 N N . GLU A 208 ? 1.0076 0.7699 0.5509 0.0847 0.1161 -0.1120 235 GLU A N 1446 C CA . GLU A 208 ? 1.0336 0.8122 0.5639 0.0952 0.1324 -0.1131 235 GLU A CA 1447 C C . GLU A 208 ? 1.0317 0.8221 0.5801 0.1137 0.1485 -0.1142 235 GLU A C 1448 O O . GLU A 208 ? 0.9953 0.8091 0.5791 0.1152 0.1506 -0.1038 235 GLU A O 1449 C CB . GLU A 208 ? 1.0212 0.8287 0.5599 0.0852 0.1345 -0.0983 235 GLU A CB 1450 C CG . GLU A 208 ? 1.0607 0.8799 0.5776 0.0918 0.1515 -0.0976 235 GLU A CG 1451 C CD . GLU A 208 ? 1.0547 0.8970 0.5807 0.0818 0.1552 -0.0809 235 GLU A CD 1452 O OE1 . GLU A 208 ? 1.0575 0.8977 0.5831 0.0697 0.1397 -0.0748 235 GLU A OE1 1453 O OE2 . GLU A 208 ? 1.0753 0.9377 0.6099 0.0859 0.1745 -0.0744 235 GLU A OE2 1454 N N . VAL A 209 ? 1.0666 0.8426 0.5911 0.1286 0.1593 -0.1281 236 VAL A N 1455 C CA . VAL A 209 ? 1.0759 0.8664 0.6168 0.1488 0.1761 -0.1316 236 VAL A CA 1456 C C . VAL A 209 ? 1.0777 0.9027 0.6209 0.1502 0.1959 -0.1261 236 VAL A C 1457 O O . VAL A 209 ? 1.0426 0.9021 0.6215 0.1548 0.2072 -0.1189 236 VAL A O 1458 C CB . VAL A 209 ? 1.1254 0.8810 0.6388 0.1657 0.1794 -0.1506 236 VAL A CB 1459 C CG1 . VAL A 209 ? 1.1343 0.9080 0.6669 0.1895 0.1969 -0.1553 236 VAL A CG1 1460 C CG2 . VAL A 209 ? 1.1344 0.8499 0.6424 0.1611 0.1615 -0.1553 236 VAL A CG2 1461 N N . ASP A 210 ? 1.1195 0.9337 0.6231 0.1465 0.2003 -0.1306 237 ASP A N 1462 C CA . ASP A 210 ? 1.1293 0.9681 0.6254 0.1421 0.2170 -0.1213 237 ASP A CA 1463 C C . ASP A 210 ? 1.1705 0.9909 0.6258 0.1300 0.2057 -0.1194 237 ASP A C 1464 O O . ASP A 210 ? 1.1606 0.9580 0.6053 0.1228 0.1843 -0.1248 237 ASP A O 1465 C CB . ASP A 210 ? 1.1535 1.0046 0.6416 0.1592 0.2434 -0.1298 237 ASP A CB 1466 C CG . ASP A 210 ? 1.1998 1.0177 0.6395 0.1718 0.2451 -0.1489 237 ASP A CG 1467 O OD1 . ASP A 210 ? 1.2077 0.9973 0.6098 0.1644 0.2296 -0.1542 237 ASP A OD1 1468 O OD2 . ASP A 210 ? 1.2161 1.0386 0.6565 0.1900 0.2624 -0.1600 237 ASP A OD2 1469 N N . ASN A 211 ? 1.2298 1.0602 0.6626 0.1278 0.2197 -0.1119 238 ASN A N 1470 C CA . ASN A 211 ? 1.2875 1.1027 0.6811 0.1189 0.2074 -0.1082 238 ASN A CA 1471 C C . ASN A 211 ? 1.3068 1.0910 0.6523 0.1253 0.1963 -0.1270 238 ASN A C 1472 O O . ASN A 211 ? 1.3136 1.0861 0.6329 0.1180 0.1786 -0.1273 238 ASN A O 1473 C CB . ASN A 211 ? 1.3656 1.1943 0.7424 0.1163 0.2265 -0.0934 238 ASN A CB 1474 C CG . ASN A 211 ? 1.4075 1.2580 0.8227 0.1024 0.2268 -0.0738 238 ASN A CG 1475 O OD1 . ASN A 211 ? 1.3817 1.2363 0.8294 0.0941 0.2087 -0.0707 238 ASN A OD1 1476 N ND2 . ASN A 211 ? 1.5372 1.4000 0.9469 0.0994 0.2487 -0.0608 238 ASN A ND2 1477 N N . LEU A 212 ? 1.3126 1.0846 0.6476 0.1393 0.2056 -0.1437 239 LEU A N 1478 C CA . LEU A 212 ? 1.3463 1.0864 0.6373 0.1452 0.1950 -0.1648 239 LEU A CA 1479 C C . LEU A 212 ? 1.3377 1.0553 0.6433 0.1496 0.1858 -0.1812 239 LEU A C 1480 O O . LEU A 212 ? 1.3771 1.0656 0.6482 0.1545 0.1791 -0.2011 239 LEU A O 1481 C CB . LEU A 212 ? 1.3972 1.1334 0.6444 0.1601 0.2168 -0.1727 239 LEU A CB 1482 C CG . LEU A 212 ? 1.4083 1.1585 0.6294 0.1577 0.2300 -0.1568 239 LEU A CG 1483 C CD1 . LEU A 212 ? 1.4631 1.2098 0.6447 0.1736 0.2565 -0.1651 239 LEU A CD1 1484 C CD2 . LEU A 212 ? 1.4167 1.1539 0.6043 0.1485 0.2063 -0.1544 239 LEU A CD2 1485 N N . THR A 213 ? 1.2790 1.0071 0.6320 0.1481 0.1851 -0.1731 240 THR A N 1486 C CA . THR A 213 ? 1.2773 0.9801 0.6429 0.1535 0.1775 -0.1853 240 THR A CA 1487 C C . THR A 213 ? 1.2306 0.9331 0.6294 0.1375 0.1588 -0.1749 240 THR A C 1488 O O . THR A 213 ? 1.1765 0.9071 0.6112 0.1331 0.1611 -0.1576 240 THR A O 1489 C CB . THR A 213 ? 1.2800 0.9928 0.6680 0.1736 0.1969 -0.1872 240 THR A CB 1490 O OG1 . THR A 213 ? 1.3091 1.0332 0.6732 0.1870 0.2188 -0.1929 240 THR A OG1 1491 C CG2 . THR A 213 ? 1.3077 0.9829 0.6926 0.1841 0.1904 -0.2029 240 THR A CG2 1492 N N . TYR A 214 ? 1.2458 0.9165 0.6319 0.1281 0.1413 -0.1866 241 TYR A N 1493 C CA . TYR A 214 ? 1.2105 0.8778 0.6221 0.1110 0.1244 -0.1787 241 TYR A CA 1494 C C . TYR A 214 ? 1.2361 0.8637 0.6480 0.1112 0.1179 -0.1903 241 TYR A C 1495 O O . TYR A 214 ? 1.2766 0.8743 0.6632 0.1226 0.1229 -0.2078 241 TYR A O 1496 C CB . TYR A 214 ? 1.2061 0.8782 0.6038 0.0928 0.1080 -0.1793 241 TYR A CB 1497 C CG . TYR A 214 ? 1.1910 0.8972 0.5888 0.0918 0.1129 -0.1641 241 TYR A CG 1498 C CD1 . TYR A 214 ? 1.2309 0.9410 0.5932 0.1016 0.1230 -0.1683 241 TYR A CD1 1499 C CD2 . TYR A 214 ? 1.1408 0.8719 0.5712 0.0816 0.1087 -0.1453 241 TYR A CD2 1500 C CE1 . TYR A 214 ? 1.2195 0.9548 0.5783 0.1005 0.1294 -0.1526 241 TYR A CE1 1501 C CE2 . TYR A 214 ? 1.1315 0.8880 0.5605 0.0804 0.1141 -0.1310 241 TYR A CE2 1502 C CZ . TYR A 214 ? 1.1711 0.9284 0.5641 0.0895 0.1247 -0.1339 241 TYR A CZ 1503 O OH . TYR A 214 ? 1.1717 0.9487 0.5605 0.0878 0.1315 -0.1181 241 TYR A OH 1504 N N . VAL A 215 ? 1.2083 0.8337 0.6469 0.0988 0.1080 -0.1802 242 VAL A N 1505 C CA . VAL A 215 ? 1.2339 0.8181 0.6719 0.0945 0.1015 -0.1877 242 VAL A CA 1506 C C . VAL A 215 ? 1.2227 0.8054 0.6693 0.0686 0.0855 -0.1855 242 VAL A C 1507 O O . VAL A 215 ? 1.1718 0.7870 0.6414 0.0592 0.0811 -0.1700 242 VAL A O 1508 C CB . VAL A 215 ? 1.2180 0.7992 0.6810 0.1082 0.1079 -0.1756 242 VAL A CB 1509 C CG1 . VAL A 215 ? 1.2439 0.7776 0.7026 0.1018 0.1012 -0.1798 242 VAL A CG1 1510 C CG2 . VAL A 215 ? 1.2374 0.8237 0.6964 0.1354 0.1237 -0.1801 242 VAL A CG2 1511 N N . GLN A 216 ? 1.2738 0.8190 0.7034 0.0568 0.0778 -0.2020 243 GLN A N 1512 C CA . GLN A 216 ? 1.2746 0.8190 0.7144 0.0307 0.0639 -0.2035 243 GLN A CA 1513 C C . GLN A 216 ? 1.2469 0.7844 0.7133 0.0247 0.0648 -0.1871 243 GLN A C 1514 O O . GLN A 216 ? 1.2628 0.7651 0.7251 0.0341 0.0715 -0.1866 243 GLN A O 1515 C CB . GLN A 216 ? 1.3441 0.8503 0.7595 0.0185 0.0569 -0.2283 243 GLN A CB 1516 C CG . GLN A 216 ? 1.3528 0.8757 0.7744 -0.0067 0.0410 -0.2368 243 GLN A CG 1517 C CD . GLN A 216 ? 1.4172 0.9205 0.8096 -0.0136 0.0324 -0.2649 243 GLN A CD 1518 O OE1 . GLN A 216 ? 1.4640 0.9508 0.8266 0.0030 0.0382 -0.2769 243 GLN A OE1 1519 N NE2 . GLN A 216 ? 1.4315 0.9391 0.8333 -0.0383 0.0184 -0.2769 243 GLN A NE2 1520 N N . LEU A 217 ? 1.2111 0.7808 0.7019 0.0110 0.0582 -0.1737 244 LEU A N 1521 C CA . LEU A 217 ? 1.1922 0.7630 0.7071 0.0080 0.0599 -0.1557 244 LEU A CA 1522 C C . LEU A 217 ? 1.2214 0.7602 0.7380 -0.0132 0.0557 -0.1601 244 LEU A C 1523 O O . LEU A 217 ? 1.2323 0.7736 0.7484 -0.0335 0.0473 -0.1723 244 LEU A O 1524 C CB . LEU A 217 ? 1.1309 0.7503 0.6706 0.0041 0.0564 -0.1394 244 LEU A CB 1525 C CG . LEU A 217 ? 1.0978 0.7250 0.6612 0.0054 0.0587 -0.1204 244 LEU A CG 1526 C CD1 . LEU A 217 ? 1.0989 0.7271 0.6650 0.0298 0.0680 -0.1126 244 LEU A CD1 1527 C CD2 . LEU A 217 ? 1.0475 0.7169 0.6332 -0.0045 0.0529 -0.1088 244 LEU A CD2 1528 N N . GLU A 218 ? 1.2480 0.7579 0.7667 -0.0079 0.0618 -0.1500 245 GLU A N 1529 C CA . GLU A 218 ? 1.2722 0.7490 0.7920 -0.0273 0.0617 -0.1488 245 GLU A CA 1530 C C . GLU A 218 ? 1.2237 0.7195 0.7644 -0.0268 0.0627 -0.1266 245 GLU A C 1531 O O . GLU A 218 ? 1.1812 0.7002 0.7307 -0.0069 0.0646 -0.1141 245 GLU A O 1532 C CB . GLU A 218 ? 1.3453 0.7594 0.8399 -0.0190 0.0691 -0.1555 245 GLU A CB 1533 C CG . GLU A 218 ? 1.4035 0.7939 0.8734 -0.0121 0.0698 -0.1777 245 GLU A CG 1534 C CD . GLU A 218 ? 1.4418 0.8176 0.9047 -0.0397 0.0636 -0.1987 245 GLU A CD 1535 O OE1 . GLU A 218 ? 1.5014 0.8341 0.9397 -0.0389 0.0658 -0.2174 245 GLU A OE1 1536 O OE2 . GLU A 218 ? 1.4288 0.8370 0.9118 -0.0618 0.0561 -0.1981 245 GLU A OE2 1537 N N . SER A 219 ? 1.2233 0.7098 0.7721 -0.0493 0.0619 -0.1231 246 SER A N 1538 C CA . SER A 219 ? 1.1951 0.6926 0.7585 -0.0506 0.0637 -0.1032 246 SER A CA 1539 C C . SER A 219 ? 1.2085 0.6738 0.7585 -0.0284 0.0697 -0.0902 246 SER A C 1540 O O . SER A 219 ? 1.1805 0.6682 0.7423 -0.0174 0.0688 -0.0742 246 SER A O 1541 C CB . SER A 219 ? 1.2135 0.6981 0.7828 -0.0796 0.0651 -0.1043 246 SER A CB 1542 O OG . SER A 219 ? 1.2050 0.7281 0.7922 -0.0982 0.0575 -0.1155 246 SER A OG 1543 N N . ARG A 220 ? 1.2534 0.6660 0.7782 -0.0210 0.0749 -0.0981 247 ARG A N 1544 C CA . ARG A 220 ? 1.2849 0.6596 0.7926 0.0026 0.0798 -0.0871 247 ARG A CA 1545 C C . ARG A 220 ? 1.2582 0.6599 0.7723 0.0354 0.0783 -0.0828 247 ARG A C 1546 O O . ARG A 220 ? 1.2901 0.6682 0.7939 0.0580 0.0801 -0.0734 247 ARG A O 1547 C CB . ARG A 220 ? 1.3609 0.6650 0.8375 0.0006 0.0863 -0.0978 247 ARG A CB 1548 C CG . ARG A 220 ? 1.3925 0.6861 0.8568 0.0104 0.0866 -0.1181 247 ARG A CG 1549 C CD . ARG A 220 ? 1.4640 0.6914 0.9016 -0.0044 0.0919 -0.1334 247 ARG A CD 1550 N NE . ARG A 220 ? 1.4920 0.7116 0.9167 0.0024 0.0912 -0.1556 247 ARG A NE 1551 C CZ . ARG A 220 ? 1.5444 0.7277 0.9465 0.0289 0.0959 -0.1624 247 ARG A CZ 1552 N NH1 . ARG A 220 ? 1.5687 0.7494 0.9588 0.0322 0.0954 -0.1841 247 ARG A NH1 1553 N NH2 . ARG A 220 ? 1.5697 0.7197 0.9595 0.0539 0.1006 -0.1486 247 ARG A NH2 1554 N N . PHE A 221 ? 1.2058 0.6558 0.7361 0.0386 0.0756 -0.0895 248 PHE A N 1555 C CA . PHE A 221 ? 1.1822 0.6615 0.7221 0.0666 0.0768 -0.0870 248 PHE A CA 1556 C C . PHE A 221 ? 1.1307 0.6543 0.6965 0.0721 0.0729 -0.0703 248 PHE A C 1557 O O . PHE A 221 ? 1.0864 0.6482 0.6706 0.0558 0.0692 -0.0664 248 PHE A O 1558 C CB . PHE A 221 ? 1.1705 0.6802 0.7134 0.0676 0.0783 -0.1004 248 PHE A CB 1559 C CG . PHE A 221 ? 1.2156 0.6862 0.7318 0.0659 0.0814 -0.1197 248 PHE A CG 1560 C CD1 . PHE A 221 ? 1.2687 0.6776 0.7607 0.0681 0.0844 -0.1253 248 PHE A CD1 1561 C CD2 . PHE A 221 ? 1.2096 0.7032 0.7220 0.0631 0.0817 -0.1328 248 PHE A CD2 1562 C CE1 . PHE A 221 ? 1.3187 0.6915 0.7861 0.0657 0.0870 -0.1452 248 PHE A CE1 1563 C CE2 . PHE A 221 ? 1.2542 0.7139 0.7404 0.0619 0.0834 -0.1525 248 PHE A CE2 1564 C CZ . PHE A 221 ? 1.3096 0.7095 0.7747 0.0627 0.0859 -0.1596 248 PHE A CZ 1565 N N . THR A 222 ? 1.1347 0.6531 0.7014 0.0965 0.0729 -0.0617 249 THR A N 1566 C CA . THR A 222 ? 1.0897 0.6504 0.6809 0.1045 0.0680 -0.0484 249 THR A CA 1567 C C . THR A 222 ? 1.0524 0.6664 0.6683 0.1157 0.0701 -0.0528 249 THR A C 1568 O O . THR A 222 ? 1.0693 0.6805 0.6784 0.1238 0.0764 -0.0647 249 THR A O 1569 C CB . THR A 222 ? 1.1217 0.6569 0.7032 0.1284 0.0651 -0.0388 249 THR A CB 1570 O OG1 . THR A 222 ? 1.1639 0.6837 0.7372 0.1552 0.0689 -0.0472 249 THR A OG1 1571 C CG2 . THR A 222 ? 1.1608 0.6388 0.7139 0.1166 0.0656 -0.0321 249 THR A CG2 1572 N N . PRO A 223 ? 1.0060 0.6670 0.6494 0.1152 0.0662 -0.0438 250 PRO A N 1573 C CA . PRO A 223 ? 0.9729 0.6831 0.6415 0.1253 0.0704 -0.0472 250 PRO A CA 1574 C C . PRO A 223 ? 1.0013 0.7115 0.6721 0.1548 0.0751 -0.0535 250 PRO A C 1575 O O . PRO A 223 ? 0.9940 0.7277 0.6733 0.1612 0.0839 -0.0621 250 PRO A O 1576 C CB . PRO A 223 ? 0.9327 0.6822 0.6281 0.1212 0.0638 -0.0361 250 PRO A CB 1577 C CG . PRO A 223 ? 0.9317 0.6590 0.6150 0.1015 0.0577 -0.0286 250 PRO A CG 1578 C CD . PRO A 223 ? 0.9801 0.6502 0.6318 0.1036 0.0589 -0.0313 250 PRO A CD 1579 N N . GLN A 224 ? 1.0260 0.7088 0.6873 0.1734 0.0698 -0.0492 251 GLN A N 1580 C CA . GLN A 224 ? 1.0534 0.7366 0.7183 0.2055 0.0721 -0.0548 251 GLN A CA 1581 C C . GLN A 224 ? 1.0905 0.7366 0.7302 0.2128 0.0815 -0.0682 251 GLN A C 1582 O O . GLN A 224 ? 1.0966 0.7611 0.7459 0.2330 0.0890 -0.0778 251 GLN A O 1583 C CB . GLN A 224 ? 1.0909 0.7473 0.7455 0.2251 0.0620 -0.0455 251 GLN A CB 1584 C CG . GLN A 224 ? 1.0673 0.7631 0.7463 0.2252 0.0513 -0.0344 251 GLN A CG 1585 C CD . GLN A 224 ? 1.0524 0.7402 0.7238 0.1962 0.0467 -0.0241 251 GLN A CD 1586 O OE1 . GLN A 224 ? 1.0607 0.7096 0.7078 0.1764 0.0506 -0.0239 251 GLN A OE1 1587 N NE2 . GLN A 224 ? 1.0286 0.7560 0.7229 0.1935 0.0385 -0.0170 251 GLN A NE2 1588 N N . PHE A 225 ? 1.1086 0.7037 0.7172 0.1958 0.0816 -0.0702 252 PHE A N 1589 C CA . PHE A 225 ? 1.1491 0.7072 0.7318 0.1973 0.0895 -0.0850 252 PHE A CA 1590 C C . PHE A 225 ? 1.1218 0.7167 0.7134 0.1874 0.0973 -0.0952 252 PHE A C 1591 O O . PHE A 225 ? 1.1490 0.7404 0.7324 0.2027 0.1061 -0.1080 252 PHE A O 1592 C CB . PHE A 225 ? 1.1822 0.6820 0.7340 0.1761 0.0872 -0.0859 252 PHE A CB 1593 C CG . PHE A 225 ? 1.2282 0.6881 0.7526 0.1747 0.0938 -0.1034 252 PHE A CG 1594 C CD1 . PHE A 225 ? 1.2203 0.6834 0.7379 0.1485 0.0944 -0.1131 252 PHE A CD1 1595 C CD2 . PHE A 225 ? 1.2836 0.7034 0.7885 0.2012 0.0984 -0.1115 252 PHE A CD2 1596 C CE1 . PHE A 225 ? 1.2666 0.6940 0.7579 0.1472 0.0990 -0.1313 252 PHE A CE1 1597 C CE2 . PHE A 225 ? 1.3319 0.7131 0.8100 0.2000 0.1045 -0.1296 252 PHE A CE2 1598 C CZ . PHE A 225 ? 1.3222 0.7075 0.7932 0.1722 0.1045 -0.1400 252 PHE A CZ 1599 N N . LEU A 226 ? 1.0768 0.7040 0.6821 0.1632 0.0945 -0.0894 253 LEU A N 1600 C CA . LEU A 226 ? 1.0575 0.7172 0.6672 0.1538 0.1014 -0.0963 253 LEU A CA 1601 C C . LEU A 226 ? 1.0490 0.7516 0.6809 0.1742 0.1115 -0.0986 253 LEU A C 1602 O O . LEU A 226 ? 1.0600 0.7660 0.6812 0.1807 0.1221 -0.1099 253 LEU A O 1603 C CB . LEU A 226 ? 1.0076 0.6940 0.6293 0.1275 0.0956 -0.0876 253 LEU A CB 1604 C CG . LEU A 226 ? 1.0153 0.6700 0.6180 0.1038 0.0880 -0.0892 253 LEU A CG 1605 C CD1 . LEU A 226 ? 0.9696 0.6576 0.5892 0.0830 0.0823 -0.0801 253 LEU A CD1 1606 C CD2 . LEU A 226 ? 1.0517 0.6792 0.6261 0.0993 0.0909 -0.1058 253 LEU A CD2 1607 N N . LEU A 227 ? 1.0263 0.7616 0.6887 0.1842 0.1085 -0.0891 254 LEU A N 1608 C CA . LEU A 227 ? 1.0243 0.8065 0.7154 0.2021 0.1181 -0.0921 254 LEU A CA 1609 C C . LEU A 227 ? 1.0818 0.8478 0.7648 0.2319 0.1254 -0.1040 254 LEU A C 1610 O O . LEU A 227 ? 1.0773 0.8740 0.7727 0.2433 0.1390 -0.1123 254 LEU A O 1611 C CB . LEU A 227 ? 0.9890 0.8111 0.7167 0.2051 0.1106 -0.0813 254 LEU A CB 1612 C CG . LEU A 227 ? 0.9516 0.7981 0.6936 0.1787 0.1050 -0.0704 254 LEU A CG 1613 C CD1 . LEU A 227 ? 0.9280 0.8068 0.7021 0.1848 0.0957 -0.0624 254 LEU A CD1 1614 C CD2 . LEU A 227 ? 0.9336 0.8117 0.6835 0.1646 0.1174 -0.0725 254 LEU A CD2 1615 N N . GLN A 228 ? 1.1383 0.8553 0.8001 0.2449 0.1176 -0.1045 255 GLN A N 1616 C CA . GLN A 228 ? 1.2063 0.8975 0.8548 0.2750 0.1235 -0.1162 255 GLN A CA 1617 C C . GLN A 228 ? 1.2421 0.9049 0.8595 0.2712 0.1345 -0.1314 255 GLN A C 1618 O O . GLN A 228 ? 1.2530 0.9252 0.8709 0.2922 0.1465 -0.1436 255 GLN A O 1619 C CB . GLN A 228 ? 1.2597 0.8971 0.8879 0.2892 0.1123 -0.1112 255 GLN A CB 1620 C CG . GLN A 228 ? 1.2596 0.9251 0.9153 0.3081 0.1022 -0.1005 255 GLN A CG 1621 C CD . GLN A 228 ? 1.3121 0.9192 0.9406 0.3210 0.0910 -0.0924 255 GLN A CD 1622 O OE1 . GLN A 228 ? 1.3761 0.9245 0.9712 0.3331 0.0940 -0.0991 255 GLN A OE1 1623 N NE2 . GLN A 228 ? 1.2961 0.9163 0.9362 0.3188 0.0785 -0.0781 255 GLN A NE2 1624 N N . LEU A 229 ? 1.2576 0.8877 0.8488 0.2449 0.1301 -0.1316 256 LEU A N 1625 C CA . LEU A 229 ? 1.3027 0.9077 0.8626 0.2373 0.1373 -0.1467 256 LEU A CA 1626 C C . LEU A 229 ? 1.3005 0.9539 0.8708 0.2366 0.1506 -0.1518 256 LEU A C 1627 O O . LEU A 229 ? 1.3292 0.9743 0.8815 0.2501 0.1623 -0.1665 256 LEU A O 1628 C CB . LEU A 229 ? 1.3009 0.8753 0.8398 0.2063 0.1276 -0.1452 256 LEU A CB 1629 C CG . LEU A 229 ? 1.3364 0.8815 0.8411 0.1950 0.1303 -0.1622 256 LEU A CG 1630 C CD1 . LEU A 229 ? 1.4026 0.8959 0.8793 0.2153 0.1354 -0.1781 256 LEU A CD1 1631 C CD2 . LEU A 229 ? 1.3307 0.8562 0.8255 0.1639 0.1185 -0.1596 256 LEU A CD2 1632 N N . ASN A 230 ? 1.2681 0.9690 0.8650 0.2211 0.1499 -0.1395 257 ASN A N 1633 C CA . ASN A 230 ? 1.2756 1.0215 0.8825 0.2185 0.1642 -0.1410 257 ASN A CA 1634 C C . ASN A 230 ? 1.2779 1.0544 0.9060 0.2460 0.1796 -0.1479 257 ASN A C 1635 O O . ASN A 230 ? 1.2887 1.0738 0.9040 0.2529 0.1956 -0.1585 257 ASN A O 1636 C CB . ASN A 230 ? 1.2489 1.0330 0.8790 0.1956 0.1601 -0.1257 257 ASN A CB 1637 C CG . ASN A 230 ? 1.2600 1.1010 0.9299 0.2024 0.1715 -0.1201 257 ASN A CG 1638 O OD1 . ASN A 230 ? 1.2614 1.1217 0.9625 0.2133 0.1665 -0.1153 257 ASN A OD1 1639 N ND2 . ASN A 230 ? 1.2988 1.1664 0.9673 0.1954 0.1865 -0.1207 257 ASN A ND2 1640 N N . GLU A 231 ? 1.2585 1.0513 0.9176 0.2625 0.1745 -0.1429 258 GLU A N 1641 C CA . GLU A 231 ? 1.2718 1.0988 0.9576 0.2907 0.1870 -0.1506 258 GLU A CA 1642 C C . GLU A 231 ? 1.3173 1.1054 0.9741 0.3161 0.1944 -0.1676 258 GLU A C 1643 O O . GLU A 231 ? 1.3264 1.1413 0.9933 0.3347 0.2116 -0.1786 258 GLU A O 1644 C CB . GLU A 231 ? 1.2609 1.1142 0.9855 0.3037 0.1755 -0.1421 258 GLU A CB 1645 C CG . GLU A 231 ? 1.2702 1.1783 1.0361 0.3288 0.1872 -0.1494 258 GLU A CG 1646 C CD . GLU A 231 ? 1.3225 1.2087 1.0858 0.3658 0.1831 -0.1584 258 GLU A CD 1647 O OE1 . GLU A 231 ? 1.3387 1.1996 1.0993 0.3745 0.1647 -0.1507 258 GLU A OE1 1648 O OE2 . GLU A 231 ? 1.3613 1.2549 1.1238 0.3875 0.1987 -0.1730 258 GLU A OE2 1649 N N . THR A 232 ? 1.3364 1.0608 0.9576 0.3159 0.1828 -0.1703 259 THR A N 1650 C CA . THR A 232 ? 1.3889 1.0653 0.9755 0.3359 0.1890 -0.1876 259 THR A CA 1651 C C . THR A 232 ? 1.4006 1.0746 0.9586 0.3264 0.2031 -0.2006 259 THR A C 1652 O O . THR A 232 ? 1.4333 1.1037 0.9797 0.3483 0.2175 -0.2161 259 THR A O 1653 C CB . THR A 232 ? 1.4218 1.0257 0.9750 0.3316 0.1739 -0.1871 259 THR A CB 1654 O OG1 . THR A 232 ? 1.4115 1.0138 0.9848 0.3414 0.1611 -0.1735 259 THR A OG1 1655 C CG2 . THR A 232 ? 1.4913 1.0411 1.0089 0.3535 0.1804 -0.2059 259 THR A CG2 1656 N N . ILE A 233 ? 1.3692 1.0447 0.9143 0.2955 0.1985 -0.1945 260 ILE A N 1657 C CA . ILE A 233 ? 1.3800 1.0537 0.8938 0.2853 0.2091 -0.2050 260 ILE A CA 1658 C C . ILE A 233 ? 1.3704 1.0981 0.9022 0.2960 0.2313 -0.2069 260 ILE A C 1659 O O . ILE A 233 ? 1.4108 1.1310 0.9159 0.3071 0.2463 -0.2219 260 ILE A O 1660 C CB . ILE A 233 ? 1.3488 1.0165 0.8481 0.2518 0.1967 -0.1965 260 ILE A CB 1661 C CG1 . ILE A 233 ? 1.3712 0.9794 0.8438 0.2414 0.1797 -0.2020 260 ILE A CG1 1662 C CG2 . ILE A 233 ? 1.3611 1.0400 0.8325 0.2429 0.2073 -0.2034 260 ILE A CG2 1663 C CD1 . ILE A 233 ? 1.3408 0.9470 0.8100 0.2100 0.1647 -0.1929 260 ILE A CD1 1664 N N . TYR A 234 ? 1.3193 1.1001 0.8956 0.2920 0.2343 -0.1927 261 TYR A N 1665 C CA . TYR A 234 ? 1.3092 1.1450 0.9099 0.2994 0.2572 -0.1936 261 TYR A CA 1666 C C . TYR A 234 ? 1.3454 1.1913 0.9578 0.3334 0.2720 -0.2089 261 TYR A C 1667 O O . TYR A 234 ? 1.3821 1.2432 0.9830 0.3422 0.2940 -0.2195 261 TYR A O 1668 C CB . TYR A 234 ? 1.2489 1.1380 0.8991 0.2863 0.2557 -0.1767 261 TYR A CB 1669 C CG . TYR A 234 ? 1.2190 1.1222 0.8617 0.2566 0.2577 -0.1643 261 TYR A CG 1670 C CD1 . TYR A 234 ? 1.1997 1.0774 0.8281 0.2344 0.2375 -0.1538 261 TYR A CD1 1671 C CD2 . TYR A 234 ? 1.2155 1.1575 0.8659 0.2513 0.2808 -0.1625 261 TYR A CD2 1672 C CE1 . TYR A 234 ? 1.1807 1.0705 0.8020 0.2103 0.2384 -0.1425 261 TYR A CE1 1673 C CE2 . TYR A 234 ? 1.1956 1.1453 0.8356 0.2260 0.2829 -0.1498 261 TYR A CE2 1674 C CZ . TYR A 234 ? 1.1781 1.1015 0.8035 0.2069 0.2607 -0.1400 261 TYR A CZ 1675 O OH . TYR A 234 ? 1.1654 1.0950 0.7798 0.1849 0.2618 -0.1277 261 TYR A OH 1676 N N . THR A 235 ? 1.3528 1.1897 0.9859 0.3537 0.2603 -0.2097 262 THR A N 1677 C CA . THR A 235 ? 1.3905 1.2397 1.0397 0.3900 0.2719 -0.2238 262 THR A CA 1678 C C . THR A 235 ? 1.4566 1.2492 1.0577 0.4083 0.2769 -0.2428 262 THR A C 1679 O O . THR A 235 ? 1.4969 1.3050 1.1006 0.4335 0.2958 -0.2578 262 THR A O 1680 C CB . THR A 235 ? 1.3821 1.2404 1.0679 0.4095 0.2559 -0.2180 262 THR A CB 1681 O OG1 . THR A 235 ? 1.4003 1.1956 1.0568 0.4042 0.2336 -0.2121 262 THR A OG1 1682 C CG2 . THR A 235 ? 1.3220 1.2454 1.0610 0.3958 0.2533 -0.2037 262 THR A CG2 1683 N N . SER A 236 ? 1.4759 1.2041 1.0347 0.3956 0.2609 -0.2435 263 SER A N 1684 C CA . SER A 236 ? 1.5393 1.2092 1.0479 0.4071 0.2649 -0.2631 263 SER A CA 1685 C C . SER A 236 ? 1.5546 1.2318 1.0313 0.3959 0.2817 -0.2733 263 SER A C 1686 O O . SER A 236 ? 1.6176 1.2619 1.0579 0.4111 0.2910 -0.2928 263 SER A O 1687 C CB . SER A 236 ? 1.5602 1.1605 1.0355 0.3925 0.2434 -0.2619 263 SER A CB 1688 O OG . SER A 236 ? 1.5579 1.1434 1.0542 0.4035 0.2288 -0.2516 263 SER A OG 1689 N N . GLY A 237 ? 1.5140 1.2306 1.0007 0.3703 0.2851 -0.2601 264 GLY A N 1690 C CA . GLY A 237 ? 1.5277 1.2537 0.9823 0.3599 0.3011 -0.2662 264 GLY A CA 1691 C C . GLY A 237 ? 1.5538 1.2269 0.9557 0.3405 0.2863 -0.2725 264 GLY A C 1692 O O . GLY A 237 ? 1.6056 1.2557 0.9636 0.3461 0.2954 -0.2893 264 GLY A O 1693 N N . LYS A 238 ? 1.5243 1.1803 0.9314 0.3179 0.2634 -0.2601 265 LYS A N 1694 C CA . LYS A 238 ? 1.5425 1.1533 0.9077 0.2972 0.2466 -0.2665 265 LYS A CA 1695 C C . LYS A 238 ? 1.4952 1.1312 0.8603 0.2685 0.2391 -0.2511 265 LYS A C 1696 O O . LYS A 238 ? 1.4798 1.0909 0.8302 0.2477 0.2197 -0.2499 265 LYS A O 1697 C CB . LYS A 238 ? 1.5572 1.1180 0.9222 0.2953 0.2271 -0.2688 265 LYS A CB 1698 C CG . LYS A 238 ? 1.6327 1.1411 0.9671 0.3175 0.2309 -0.2916 265 LYS A CG 1699 C CD . LYS A 238 ? 1.6436 1.1641 1.0045 0.3514 0.2437 -0.2932 265 LYS A CD 1700 C CE . LYS A 238 ? 1.7167 1.1830 1.0438 0.3760 0.2491 -0.3169 265 LYS A CE 1701 N NZ . LYS A 238 ? 1.7584 1.2282 1.0514 0.3856 0.2668 -0.3365 265 LYS A NZ 1702 N N . ARG A 239 ? 1.4769 1.1619 0.8580 0.2681 0.2558 -0.2404 266 ARG A N 1703 C CA . ARG A 239 ? 1.4574 1.1632 0.8300 0.2454 0.2532 -0.2270 266 ARG A CA 1704 C C . ARG A 239 ? 1.5189 1.2056 0.8350 0.2457 0.2591 -0.2408 266 ARG A C 1705 O O . ARG A 239 ? 1.5629 1.2308 0.8524 0.2646 0.2709 -0.2596 266 ARG A O 1706 C CB . ARG A 239 ? 1.4209 1.1818 0.8308 0.2446 0.2711 -0.2103 266 ARG A CB 1707 C CG . ARG A 239 ? 1.3763 1.1636 0.8437 0.2458 0.2658 -0.1979 266 ARG A CG 1708 C CD . ARG A 239 ? 1.3547 1.1971 0.8595 0.2507 0.2886 -0.1895 266 ARG A CD 1709 N NE . ARG A 239 ? 1.3371 1.2006 0.8355 0.2297 0.2952 -0.1750 266 ARG A NE 1710 C CZ . ARG A 239 ? 1.3314 1.2349 0.8456 0.2283 0.3197 -0.1685 266 ARG A CZ 1711 N NH1 . ARG A 239 ? 1.3415 1.2764 0.8839 0.2463 0.3411 -0.1762 266 ARG A NH1 1712 N NH2 . ARG A 239 ? 1.3226 1.2344 0.8243 0.2085 0.3236 -0.1541 266 ARG A NH2 1713 N N . SER A 240 ? 1.5251 1.2165 0.8213 0.2265 0.2504 -0.2318 267 SER A N 1714 C CA . SER A 240 ? 1.5908 1.2669 0.8299 0.2265 0.2535 -0.2427 267 SER A CA 1715 C C . SER A 240 ? 1.6452 1.3468 0.8718 0.2410 0.2849 -0.2417 267 SER A C 1716 O O . SER A 240 ? 1.6094 1.3492 0.8663 0.2369 0.2998 -0.2235 267 SER A O 1717 C CB . SER A 240 ? 1.5624 1.2416 0.7873 0.2048 0.2356 -0.2307 267 SER A CB 1718 O OG . SER A 240 ? 1.6056 1.2663 0.7718 0.2060 0.2330 -0.2429 267 SER A OG 1719 N N . ASN A 241 ? 1.7581 1.4378 0.9405 0.2571 0.2960 -0.2623 268 ASN A N 1720 C CA . ASN A 241 ? 1.8290 1.5290 0.9890 0.2704 0.3276 -0.2635 268 ASN A CA 1721 C C . ASN A 241 ? 1.8462 1.5232 0.9365 0.2672 0.3240 -0.2710 268 ASN A C 1722 O O . ASN A 241 ? 1.9205 1.5806 0.9659 0.2830 0.3373 -0.2894 268 ASN A O 1723 C CB . ASN A 241 ? 1.9200 1.6210 1.0902 0.2964 0.3486 -0.2808 268 ASN A CB 1724 C CG . ASN A 241 ? 2.0381 1.6919 1.1914 0.3069 0.3315 -0.3043 268 ASN A CG 1725 O OD1 . ASN A 241 ? 2.0666 1.6830 1.1730 0.3004 0.3144 -0.3176 268 ASN A OD1 1726 N ND2 . ASN A 241 ? 2.1492 1.8039 1.3406 0.3236 0.3356 -0.3100 268 ASN A ND2 1727 N N . THR A 242 ? 1.7926 1.4703 0.8745 0.2478 0.3049 -0.2566 269 THR A N 1728 C CA . THR A 242 ? 1.8139 1.4693 0.8329 0.2434 0.2917 -0.2628 269 THR A CA 1729 C C . THR A 242 ? 1.7484 1.4203 0.7772 0.2243 0.2783 -0.2384 269 THR A C 1730 O O . THR A 242 ? 1.6887 1.3771 0.7710 0.2121 0.2691 -0.2240 269 THR A O 1731 C CB . THR A 242 ? 1.8487 1.4644 0.8446 0.2427 0.2639 -0.2884 269 THR A CB 1732 O OG1 . THR A 242 ? 1.8971 1.4932 0.8823 0.2618 0.2775 -0.3112 269 THR A OG1 1733 C CG2 . THR A 242 ? 1.8977 1.4940 0.8305 0.2384 0.2460 -0.2980 269 THR A CG2 1734 N N . THR A 243 ? 1.7605 1.4265 0.7353 0.2236 0.2780 -0.2336 270 THR A N 1735 C CA . THR A 243 ? 1.7168 1.3925 0.6903 0.2089 0.2639 -0.2118 270 THR A CA 1736 C C . THR A 243 ? 1.6560 1.3270 0.6585 0.1933 0.2277 -0.2128 270 THR A C 1737 O O . THR A 243 ? 1.6003 1.2875 0.6297 0.1805 0.2192 -0.1925 270 THR A O 1738 C CB . THR A 243 ? 1.7757 1.4358 0.6731 0.2153 0.2636 -0.2121 270 THR A CB 1739 O OG1 . THR A 243 ? 1.8221 1.4838 0.6874 0.2296 0.2991 -0.2126 270 THR A OG1 1740 C CG2 . THR A 243 ? 1.7580 1.4272 0.6507 0.2042 0.2544 -0.1865 270 THR A CG2 1741 N N . GLY A 244 ? 1.6615 1.3094 0.6570 0.1940 0.2080 -0.2372 271 GLY A N 1742 C CA . GLY A 244 ? 1.6240 1.2654 0.6429 0.1784 0.1753 -0.2424 271 GLY A CA 1743 C C . GLY A 244 ? 1.5603 1.2080 0.6441 0.1691 0.1713 -0.2376 271 GLY A C 1744 O O . GLY A 244 ? 1.5337 1.1907 0.6485 0.1766 0.1920 -0.2323 271 GLY A O 1745 N N . LYS A 245 ? 1.5300 1.1728 0.6325 0.1534 0.1440 -0.2408 272 LYS A N 1746 C CA . LYS A 245 ? 1.4703 1.1197 0.6305 0.1414 0.1368 -0.2321 272 LYS A CA 1747 C C . LYS A 245 ? 1.4837 1.1035 0.6531 0.1435 0.1339 -0.2524 272 LYS A C 1748 O O . LYS A 245 ? 1.5311 1.1244 0.6712 0.1410 0.1200 -0.2752 272 LYS A O 1749 C CB . LYS A 245 ? 1.4386 1.0975 0.6119 0.1232 0.1109 -0.2257 272 LYS A CB 1750 C CG . LYS A 245 ? 1.3784 1.0552 0.6081 0.1110 0.1077 -0.2071 272 LYS A CG 1751 C CD . LYS A 245 ? 1.3535 1.0437 0.5907 0.0959 0.0847 -0.2006 272 LYS A CD 1752 C CE . LYS A 245 ? 1.2927 0.9959 0.5832 0.0822 0.0788 -0.1868 272 LYS A CE 1753 N NZ . LYS A 245 ? 1.2722 0.9860 0.5702 0.0678 0.0550 -0.1867 272 LYS A NZ 1754 N N . LEU A 246 ? 1.4464 1.0698 0.6551 0.1486 0.1465 -0.2444 273 LEU A N 1755 C CA . LEU A 246 ? 1.4568 1.0488 0.6757 0.1528 0.1452 -0.2595 273 LEU A CA 1756 C C . LEU A 246 ? 1.4153 1.0068 0.6786 0.1372 0.1316 -0.2487 273 LEU A C 1757 O O . LEU A 246 ? 1.3646 0.9812 0.6656 0.1376 0.1385 -0.2286 273 LEU A O 1758 C CB . LEU A 246 ? 1.4609 1.0559 0.6872 0.1755 0.1704 -0.2596 273 LEU A CB 1759 C CG . LEU A 246 ? 1.4806 1.0411 0.7148 0.1865 0.1723 -0.2739 273 LEU A CG 1760 C CD1 . LEU A 246 ? 1.5379 1.0531 0.7302 0.1844 0.1611 -0.3013 273 LEU A CD1 1761 C CD2 . LEU A 246 ? 1.4883 1.0615 0.7317 0.2119 0.1976 -0.2736 273 LEU A CD2 1762 N N . ILE A 247 ? 1.4369 1.0000 0.6946 0.1227 0.1130 -0.2628 274 ILE A N 1763 C CA . ILE A 247 ? 1.4101 0.9675 0.7043 0.1062 0.1010 -0.2544 274 ILE A CA 1764 C C . ILE A 247 ? 1.4494 0.9619 0.7440 0.1105 0.1031 -0.2674 274 ILE A C 1765 O O . ILE A 247 ? 1.4930 0.9701 0.7622 0.1040 0.0949 -0.2896 274 ILE A O 1766 C CB . ILE A 247 ? 1.4002 0.9632 0.6939 0.0825 0.0788 -0.2586 274 ILE A CB 1767 C CG1 . ILE A 247 ? 1.3707 0.9746 0.6628 0.0808 0.0759 -0.2437 274 ILE A CG1 1768 C CG2 . ILE A 247 ? 1.3676 0.9238 0.6980 0.0648 0.0697 -0.2505 274 ILE A CG2 1769 C CD1 . ILE A 247 ? 1.3718 0.9843 0.6551 0.0638 0.0534 -0.2518 274 ILE A CD1 1770 N N . TRP A 248 ? 1.4401 0.9532 0.7625 0.1217 0.1134 -0.2538 275 TRP A N 1771 C CA . TRP A 248 ? 1.4785 0.9467 0.8027 0.1276 0.1150 -0.2611 275 TRP A CA 1772 C C . TRP A 248 ? 1.4872 0.9360 0.8277 0.1034 0.1005 -0.2573 275 TRP A C 1773 O O . TRP A 248 ? 1.4417 0.9212 0.8047 0.0867 0.0919 -0.2431 275 TRP A O 1774 C CB . TRP A 248 ? 1.4563 0.9355 0.8045 0.1507 0.1293 -0.2473 275 TRP A CB 1775 C CG . TRP A 248 ? 1.4705 0.9662 0.8065 0.1755 0.1469 -0.2533 275 TRP A CG 1776 C CD1 . TRP A 248 ? 1.4342 0.9794 0.7865 0.1836 0.1587 -0.2402 275 TRP A CD1 1777 C CD2 . TRP A 248 ? 1.5308 0.9929 0.8355 0.1948 0.1565 -0.2747 275 TRP A CD2 1778 N NE1 . TRP A 248 ? 1.4699 1.0171 0.8044 0.2061 0.1762 -0.2517 275 TRP A NE1 1779 C CE2 . TRP A 248 ? 1.5281 1.0253 0.8328 0.2147 0.1749 -0.2732 275 TRP A CE2 1780 C CE3 . TRP A 248 ? 1.5926 0.9968 0.8692 0.1967 0.1524 -0.2957 275 TRP A CE3 1781 C CZ2 . TRP A 248 ? 1.5828 1.0617 0.8602 0.2380 0.1894 -0.2922 275 TRP A CZ2 1782 C CZ3 . TRP A 248 ? 1.6478 1.0304 0.8958 0.2204 0.1655 -0.3150 275 TRP A CZ3 1783 C CH2 . TRP A 248 ? 1.6409 1.0622 0.8894 0.2414 0.1839 -0.3132 275 TRP A CH2 1784 N N . LYS A 249 ? 1.5662 0.9620 0.8941 0.1017 0.0993 -0.2702 276 LYS A N 1785 C CA . LYS A 249 ? 1.5936 0.9627 0.9343 0.0790 0.0898 -0.2672 276 LYS A CA 1786 C C . LYS A 249 ? 1.6458 0.9693 0.9873 0.0929 0.0978 -0.2623 276 LYS A C 1787 O O . LYS A 249 ? 1.6891 0.9886 1.0130 0.1176 0.1077 -0.2710 276 LYS A O 1788 C CB . LYS A 249 ? 1.6400 0.9823 0.9595 0.0558 0.0783 -0.2912 276 LYS A CB 1789 C CG . LYS A 249 ? 1.6420 0.9708 0.9803 0.0261 0.0688 -0.2880 276 LYS A CG 1790 C CD . LYS A 249 ? 1.6827 1.0007 1.0077 0.0008 0.0559 -0.3131 276 LYS A CD 1791 C CE . LYS A 249 ? 1.6735 0.9904 1.0240 -0.0307 0.0478 -0.3092 276 LYS A CE 1792 N NZ . LYS A 249 ? 1.6139 0.9921 0.9935 -0.0400 0.0394 -0.2931 276 LYS A NZ 1793 N N . VAL A 250 ? 1.6604 0.9721 1.0206 0.0783 0.0936 -0.2481 277 VAL A N 1794 C CA . VAL A 250 ? 1.7193 0.9862 1.0784 0.0907 0.0996 -0.2394 277 VAL A CA 1795 C C . VAL A 250 ? 1.7873 1.0019 1.1364 0.0635 0.0950 -0.2464 277 VAL A C 1796 O O . VAL A 250 ? 1.7763 1.0054 1.1448 0.0397 0.0893 -0.2353 277 VAL A O 1797 C CB . VAL A 250 ? 1.6698 0.9730 1.0599 0.1001 0.1006 -0.2121 277 VAL A CB 1798 C CG1 . VAL A 250 ? 1.7034 0.9607 1.0881 0.1177 0.1053 -0.2023 277 VAL A CG1 1799 C CG2 . VAL A 250 ? 1.6286 0.9898 1.0340 0.1204 0.1055 -0.2060 277 VAL A CG2 1800 N N . ASN A 251 ? 1.8986 1.0523 1.2178 0.0661 0.0988 -0.2658 278 ASN A N 1801 C CA . ASN A 251 ? 1.9787 1.0754 1.2865 0.0384 0.0970 -0.2748 278 ASN A CA 1802 C C . ASN A 251 ? 2.0095 1.0699 1.3217 0.0407 0.1026 -0.2527 278 ASN A C 1803 O O . ASN A 251 ? 1.9959 1.0578 1.3098 0.0711 0.1076 -0.2369 278 ASN A O 1804 C CB . ASN A 251 ? 2.0675 1.1059 1.3400 0.0394 0.0995 -0.3039 278 ASN A CB 1805 C CG . ASN A 251 ? 2.1210 1.1249 1.3712 0.0784 0.1099 -0.3061 278 ASN A CG 1806 O OD1 . ASN A 251 ? 2.0987 1.1386 1.3619 0.1068 0.1142 -0.2903 278 ASN A OD1 1807 N ND2 . ASN A 251 ? 2.1991 1.1338 1.4168 0.0799 0.1141 -0.3273 278 ASN A ND2 1808 N N . PRO A 252 ? 2.0613 1.0902 1.3750 0.0086 0.1019 -0.2518 279 PRO A N 1809 C CA . PRO A 252 ? 2.0767 1.0883 1.3986 0.0049 0.1062 -0.2265 279 PRO A CA 1810 C C . PRO A 252 ? 2.1452 1.1013 1.4449 0.0359 0.1147 -0.2126 279 PRO A C 1811 O O . PRO A 252 ? 2.1244 1.0857 1.4328 0.0429 0.1158 -0.1884 279 PRO A O 1812 C CB . PRO A 252 ? 2.1045 1.0827 1.4258 -0.0370 0.1071 -0.2351 279 PRO A CB 1813 C CG . PRO A 252 ? 2.0919 1.0982 1.4184 -0.0570 0.0983 -0.2621 279 PRO A CG 1814 C CD . PRO A 252 ? 2.1020 1.1072 1.4085 -0.0261 0.0980 -0.2759 279 PRO A CD 1815 N N . GLU A 253 ? 2.2382 1.1422 1.5086 0.0560 0.1197 -0.2281 280 GLU A N 1816 C CA . GLU A 253 ? 2.3168 1.1646 1.5637 0.0895 0.1267 -0.2164 280 GLU A CA 1817 C C . GLU A 253 ? 2.2876 1.1842 1.5503 0.1305 0.1249 -0.2009 280 GLU A C 1818 O O . GLU A 253 ? 2.3269 1.1857 1.5739 0.1615 0.1283 -0.1903 280 GLU A O 1819 C CB . GLU A 253 ? 2.4136 1.1829 1.6224 0.0984 0.1333 -0.2389 280 GLU A CB 1820 C CG . GLU A 253 ? 2.4349 1.2197 1.6356 0.1299 0.1340 -0.2576 280 GLU A CG 1821 C CD . GLU A 253 ? 2.3970 1.2416 1.6119 0.1128 0.1280 -0.2770 280 GLU A CD 1822 O OE1 . GLU A 253 ? 2.3707 1.2397 1.6008 0.0756 0.1217 -0.2798 280 GLU A OE1 1823 O OE2 . GLU A 253 ? 2.3979 1.2651 1.6077 0.1380 0.1298 -0.2898 280 GLU A OE2 1824 N N . ILE A 254 ? 2.2304 1.2091 1.5236 0.1308 0.1195 -0.2004 281 ILE A N 1825 C CA . ILE A 254 ? 2.1957 1.2304 1.5122 0.1618 0.1179 -0.1846 281 ILE A CA 1826 C C . ILE A 254 ? 2.1860 1.2334 1.5180 0.1565 0.1138 -0.1582 281 ILE A C 1827 O O . ILE A 254 ? 2.1513 1.2158 1.4957 0.1240 0.1105 -0.1522 281 ILE A O 1828 C CB . ILE A 254 ? 2.1249 1.2397 1.4675 0.1602 0.1153 -0.1915 281 ILE A CB 1829 C CG1 . ILE A 254 ? 2.1564 1.2657 1.4830 0.1830 0.1216 -0.2129 281 ILE A CG1 1830 C CG2 . ILE A 254 ? 2.0540 1.2356 1.4305 0.1752 0.1124 -0.1714 281 ILE A CG2 1831 C CD1 . ILE A 254 ? 2.2096 1.2710 1.5065 0.1642 0.1226 -0.2378 281 ILE A CD1 1832 N N . ASP A 255 ? 2.2245 1.2662 1.5557 0.1902 0.1136 -0.1437 282 ASP A N 1833 C CA . ASP A 255 ? 2.2199 1.2737 1.5618 0.1915 0.1087 -0.1190 282 ASP A CA 1834 C C . ASP A 255 ? 2.1427 1.2862 1.5259 0.1866 0.1024 -0.1107 282 ASP A C 1835 O O . ASP A 255 ? 2.1083 1.3030 1.5113 0.1986 0.1028 -0.1197 282 ASP A O 1836 C CB . ASP A 255 ? 2.2705 1.2901 1.5963 0.2331 0.1082 -0.1082 282 ASP A CB 1837 C CG . ASP A 255 ? 2.2546 1.2859 1.5869 0.2381 0.1015 -0.0831 282 ASP A CG 1838 O OD1 . ASP A 255 ? 2.2579 1.2738 1.5846 0.2075 0.1021 -0.0729 282 ASP A OD1 1839 O OD2 . ASP A 255 ? 2.2484 1.3066 1.5920 0.2730 0.0957 -0.0747 282 ASP A OD2 1840 N N . THR A 256 ? 2.1234 1.2824 1.5175 0.1680 0.0980 -0.0938 283 THR A N 1841 C CA . THR A 256 ? 2.0627 1.2987 1.4935 0.1651 0.0916 -0.0833 283 THR A CA 1842 C C . THR A 256 ? 2.0953 1.3245 1.5249 0.1652 0.0870 -0.0615 283 THR A C 1843 O O . THR A 256 ? 2.1527 1.3206 1.5537 0.1561 0.0903 -0.0547 283 THR A O 1844 C CB . THR A 256 ? 1.9919 1.2689 1.4412 0.1308 0.0908 -0.0913 283 THR A CB 1845 O OG1 . THR A 256 ? 1.9955 1.2661 1.4360 0.1284 0.0947 -0.1123 283 THR A OG1 1846 C CG2 . THR A 256 ? 1.9071 1.2613 1.3926 0.1318 0.0855 -0.0830 283 THR A CG2 1847 N N . THR A 257 ? 2.0710 1.3606 1.5294 0.1753 0.0800 -0.0511 284 THR A N 1848 C CA . THR A 257 ? 2.0906 1.3824 1.5488 0.1759 0.0741 -0.0316 284 THR A CA 1849 C C . THR A 257 ? 2.0688 1.3660 1.5307 0.1374 0.0756 -0.0264 284 THR A C 1850 O O . THR A 257 ? 2.0852 1.3416 1.5298 0.1128 0.0823 -0.0326 284 THR A O 1851 C CB . THR A 257 ? 2.0571 1.4169 1.5483 0.1968 0.0653 -0.0252 284 THR A CB 1852 O OG1 . THR A 257 ? 2.0723 1.4446 1.5712 0.2291 0.0655 -0.0345 284 THR A OG1 1853 C CG2 . THR A 257 ? 2.0617 1.4132 1.5439 0.2077 0.0574 -0.0066 284 THR A CG2 1854 N N . GLU A 260 ? 2.0885 1.1704 1.4351 0.0469 0.1081 0.0303 287 GLU A N 1855 C CA . GLU A 260 ? 2.0126 1.1740 1.3989 0.0355 0.1008 0.0295 287 GLU A CA 1856 C C . GLU A 260 ? 1.9735 1.1557 1.3555 0.0554 0.0932 0.0482 287 GLU A C 1857 O O . GLU A 260 ? 2.0073 1.1653 1.3688 0.0441 0.0997 0.0621 287 GLU A O 1858 C CB . GLU A 260 ? 2.0130 1.1840 1.4132 -0.0071 0.1100 0.0237 287 GLU A CB 1859 C CG . GLU A 260 ? 2.0165 1.1929 1.4332 -0.0276 0.1122 0.0014 287 GLU A CG 1860 C CD . GLU A 260 ? 1.9957 1.2025 1.4370 -0.0663 0.1169 -0.0062 287 GLU A CD 1861 O OE1 . GLU A 260 ? 2.0344 1.2124 1.4631 -0.0874 0.1284 0.0020 287 GLU A OE1 1862 O OE2 . GLU A 260 ? 1.9412 1.2009 1.4137 -0.0749 0.1096 -0.0206 287 GLU A OE2 1863 N N . TRP A 261 ? 1.8950 1.1223 1.2960 0.0845 0.0800 0.0472 288 TRP A N 1864 C CA . TRP A 261 ? 1.8362 1.0912 1.2378 0.1068 0.0692 0.0609 288 TRP A CA 1865 C C . TRP A 261 ? 1.6887 1.0277 1.1369 0.1017 0.0600 0.0544 288 TRP A C 1866 O O . TRP A 261 ? 1.6585 1.0328 1.1356 0.0960 0.0593 0.0401 288 TRP A O 1867 C CB . TRP A 261 ? 1.9058 1.1383 1.2892 0.1491 0.0606 0.0650 288 TRP A CB 1868 C CG . TRP A 261 ? 2.0153 1.1800 1.3481 0.1658 0.0623 0.0832 288 TRP A CG 1869 C CD1 . TRP A 261 ? 2.0462 1.2176 1.3646 0.1930 0.0505 0.0971 288 TRP A CD1 1870 C CD2 . TRP A 261 ? 2.1109 1.1893 1.3983 0.1567 0.0764 0.0894 288 TRP A CD2 1871 N NE1 . TRP A 261 ? 2.1364 1.2298 1.4001 0.2034 0.0562 0.1130 288 TRP A NE1 1872 C CE2 . TRP A 261 ? 2.1783 1.2116 1.4220 0.1806 0.0733 0.1093 288 TRP A CE2 1873 C CE3 . TRP A 261 ? 2.1443 1.1780 1.4229 0.1301 0.0913 0.0796 288 TRP A CE3 1874 C CZ2 . TRP A 261 ? 2.2717 1.2128 1.4611 0.1785 0.0865 0.1215 288 TRP A CZ2 1875 C CZ3 . TRP A 261 ? 2.2391 1.1831 1.4677 0.1259 0.1044 0.0899 288 TRP A CZ3 1876 C CH2 . TRP A 261 ? 2.3009 1.1977 1.4845 0.1499 0.1028 0.1116 288 TRP A CH2 1877 N N . ALA A 262 ? 1.5855 0.9527 1.0377 0.1040 0.0535 0.0650 289 ALA A N 1878 C CA . ALA A 262 ? 1.4491 0.8904 0.9424 0.1000 0.0449 0.0600 289 ALA A CA 1879 C C . ALA A 262 ? 1.3778 0.8561 0.8907 0.1316 0.0322 0.0564 289 ALA A C 1880 O O . ALA A 262 ? 1.4111 0.8625 0.9024 0.1603 0.0266 0.0623 289 ALA A O 1881 C CB . ALA A 262 ? 1.4369 0.8911 0.9254 0.0892 0.0435 0.0708 289 ALA A CB 1882 N N . PHE A 263 ? 1.2621 0.8020 0.8157 0.1264 0.0281 0.0467 290 PHE A N 1883 C CA . PHE A 263 ? 1.2091 0.7913 0.7893 0.1514 0.0193 0.0401 290 PHE A CA 1884 C C . PHE A 263 ? 1.2134 0.8078 0.7904 0.1797 0.0057 0.0475 290 PHE A C 1885 O O . PHE A 263 ? 1.2313 0.8382 0.8176 0.2073 -0.0006 0.0430 290 PHE A O 1886 C CB . PHE A 263 ? 1.1297 0.7740 0.7521 0.1362 0.0194 0.0306 290 PHE A CB 1887 C CG . PHE A 263 ? 1.0743 0.7546 0.7122 0.1230 0.0137 0.0354 290 PHE A CG 1888 C CD1 . PHE A 263 ? 1.0538 0.7712 0.7086 0.1396 0.0018 0.0368 290 PHE A CD1 1889 C CD2 . PHE A 263 ? 1.0485 0.7275 0.6858 0.0945 0.0197 0.0366 290 PHE A CD2 1890 C CE1 . PHE A 263 ? 1.0233 0.7715 0.6911 0.1273 -0.0034 0.0394 290 PHE A CE1 1891 C CE2 . PHE A 263 ? 1.0131 0.7234 0.6637 0.0839 0.0150 0.0399 290 PHE A CE2 1892 C CZ . PHE A 263 ? 1.0006 0.7434 0.6650 0.0999 0.0036 0.0413 290 PHE A CZ 1893 N N . TRP A 264 ? 1.2029 0.7962 0.7671 0.1734 0.0008 0.0577 291 TRP A N 1894 C CA . TRP A 264 ? 1.2060 0.8148 0.7656 0.1988 -0.0144 0.0638 291 TRP A CA 1895 C C . TRP A 264 ? 1.3101 0.8619 0.8254 0.2275 -0.0185 0.0743 291 TRP A C 1896 O O . TRP A 264 ? 1.3233 0.8896 0.8358 0.2561 -0.0338 0.0772 291 TRP A O 1897 C CB . TRP A 264 ? 1.1564 0.7839 0.7147 0.1826 -0.0183 0.0700 291 TRP A CB 1898 C CG . TRP A 264 ? 1.1591 0.7331 0.6763 0.1652 -0.0078 0.0820 291 TRP A CG 1899 C CD1 . TRP A 264 ? 1.2020 0.7255 0.6720 0.1790 -0.0090 0.0960 291 TRP A CD1 1900 C CD2 . TRP A 264 ? 1.1183 0.6855 0.6387 0.1309 0.0064 0.0807 291 TRP A CD2 1901 N NE1 . TRP A 264 ? 1.2126 0.6975 0.6568 0.1531 0.0059 0.1037 291 TRP A NE1 1902 C CE2 . TRP A 264 ? 1.1596 0.6732 0.6366 0.1234 0.0149 0.0935 291 TRP A CE2 1903 C CE3 . TRP A 264 ? 1.0618 0.6631 0.6168 0.1066 0.0127 0.0699 291 TRP A CE3 1904 C CZ2 . TRP A 264 ? 1.1520 0.6505 0.6248 0.0913 0.0300 0.0943 291 TRP A CZ2 1905 C CZ3 . TRP A 264 ? 1.0578 0.6437 0.6070 0.0772 0.0251 0.0707 291 TRP A CZ3 1906 C CH2 . TRP A 264 ? 1.0977 0.6350 0.6087 0.0692 0.0338 0.0820 291 TRP A CH2 1907 N N . GLU A 265 ? 1.4010 0.8880 0.8815 0.2201 -0.0056 0.0794 292 GLU A N 1908 C CA . GLU A 265 ? 1.5202 0.9403 0.9521 0.2458 -0.0067 0.0907 292 GLU A CA 1909 C C . GLU A 265 ? 1.5848 0.9805 1.0157 0.2664 -0.0038 0.0826 292 GLU A C 1910 O O . GLU A 265 ? 1.6480 0.9959 1.0440 0.2961 -0.0080 0.0902 292 GLU A O 1911 C CB . GLU A 265 ? 1.5739 0.9275 0.9586 0.2248 0.0066 0.1048 292 GLU A CB 1912 C CG . GLU A 265 ? 1.5562 0.9048 0.9518 0.1825 0.0238 0.0992 292 GLU A CG 1913 C CD . GLU A 265 ? 1.6114 0.9009 0.9649 0.1612 0.0380 0.1125 292 GLU A CD 1914 O OE1 . GLU A 265 ? 1.6139 0.8888 0.9724 0.1289 0.0529 0.1070 292 GLU A OE1 1915 O OE2 . GLU A 265 ? 1.6622 0.9213 0.9775 0.1760 0.0347 0.1279 292 GLU A OE2 1916 N N . THR A 266 ? 1.5977 1.0242 1.0636 0.2523 0.0031 0.0674 293 THR A N 1917 C CA . THR A 266 ? 1.6505 1.0703 1.1241 0.2732 0.0052 0.0560 293 THR A CA 1918 C C . THR A 266 ? 1.6073 1.1075 1.1345 0.2817 -0.0013 0.0425 293 THR A C 1919 O O . THR A 266 ? 1.6182 1.1612 1.1643 0.3028 -0.0153 0.0434 293 THR A O 1920 C CB . THR A 266 ? 1.6729 1.0529 1.1360 0.2491 0.0217 0.0481 293 THR A CB 1921 O OG1 . THR A 266 ? 1.6126 1.0317 1.1033 0.2129 0.0276 0.0419 293 THR A OG1 1922 C CG2 . THR A 266 ? 1.7500 1.0439 1.1604 0.2427 0.0305 0.0594 293 THR A CG2 1923 N N . SER A 276 ? 2.0672 1.5785 1.6262 0.4304 0.1454 -0.1735 302 SER A N 1924 C CA . SER A 276 ? 2.1392 1.6163 1.6844 0.4714 0.1488 -0.1847 302 SER A CA 1925 C C . SER A 276 ? 2.1948 1.6407 1.7098 0.4736 0.1640 -0.2061 302 SER A C 1926 O O . SER A 276 ? 2.1827 1.6356 1.6874 0.4436 0.1704 -0.2113 302 SER A O 1927 C CB . SER A 276 ? 2.1850 1.5884 1.6990 0.4821 0.1353 -0.1743 302 SER A CB 1928 O OG . SER A 276 ? 2.1439 1.5691 1.6764 0.4723 0.1210 -0.1539 302 SER A OG 1929 N N . GLU A 277 ? 2.2568 1.6673 1.7559 0.5109 0.1689 -0.2188 303 GLU A N 1930 C CA . GLU A 277 ? 2.3077 1.6811 1.7739 0.5182 0.1831 -0.2414 303 GLU A CA 1931 C C . GLU A 277 ? 2.3803 1.6548 1.7917 0.5066 0.1783 -0.2468 303 GLU A C 1932 O O . GLU A 277 ? 2.4286 1.6563 1.8089 0.5235 0.1871 -0.2661 303 GLU A O 1933 C CB . GLU A 277 ? 2.3343 1.7275 1.8151 0.5662 0.1938 -0.2558 303 GLU A CB 1934 C CG . GLU A 277 ? 2.3863 1.7306 1.8564 0.6058 0.1839 -0.2526 303 GLU A CG 1935 C CD . GLU A 277 ? 2.4312 1.7849 1.9081 0.6536 0.1959 -0.2716 303 GLU A CD 1936 O OE1 . GLU A 277 ? 2.4014 1.8268 1.9111 0.6599 0.2108 -0.2824 303 GLU A OE1 1937 O OE2 . GLU A 277 ? 2.4970 1.7850 1.9458 0.6856 0.1914 -0.2756 303 GLU A OE2 1938 N N . GLU A 278 ? 2.3789 1.6226 1.7794 0.4767 0.1656 -0.2310 304 GLU A N 1939 C CA . GLU A 278 ? 2.4375 1.5894 1.7907 0.4604 0.1615 -0.2345 304 GLU A CA 1940 C C . GLU A 278 ? 2.4095 1.5533 1.7456 0.4162 0.1628 -0.2432 304 GLU A C 1941 O O . GLU A 278 ? 2.4658 1.5377 1.7646 0.4001 0.1613 -0.2517 304 GLU A O 1942 C CB . GLU A 278 ? 2.4508 1.5671 1.7995 0.4568 0.1482 -0.2120 304 GLU A CB 1943 C CG . GLU A 278 ? 2.4932 1.5952 1.8450 0.5036 0.1441 -0.2048 304 GLU A CG 1944 C CD . GLU A 278 ? 2.4942 1.5726 1.8424 0.5005 0.1305 -0.1801 304 GLU A CD 1945 O OE1 . GLU A 278 ? 2.4201 1.5562 1.7991 0.4809 0.1233 -0.1651 304 GLU A OE1 1946 O OE2 . GLU A 278 ? 2.5632 1.5630 1.8754 0.5185 0.1276 -0.1755 304 GLU A OE2 1947 N N . LEU A 279 ? 2.3186 1.5347 1.6814 0.3973 0.1653 -0.2417 305 LEU A N 1948 C CA . LEU A 279 ? 2.2778 1.4960 1.6268 0.3586 0.1646 -0.2493 305 LEU A CA 1949 C C . LEU A 279 ? 2.2883 1.5038 1.6148 0.3670 0.1768 -0.2744 305 LEU A C 1950 O O . LEU A 279 ? 2.2772 1.5421 1.6211 0.3893 0.1881 -0.2790 305 LEU A O 1951 C CB . LEU A 279 ? 2.1947 1.4876 1.5793 0.3352 0.1607 -0.2336 305 LEU A CB 1952 C CG . LEU A 279 ? 2.1553 1.4573 1.5601 0.3165 0.1480 -0.2102 305 LEU A CG 1953 C CD1 . LEU A 279 ? 2.1775 1.4198 1.5548 0.2858 0.1400 -0.2107 305 LEU A CD1 1954 C CD2 . LEU A 279 ? 2.1618 1.4642 1.5836 0.3463 0.1443 -0.1964 305 LEU A CD2 1955 N N . SER A 280 ? 2.3083 1.4671 1.5964 0.3485 0.1750 -0.2914 306 SER A N 1956 C CA . SER A 280 ? 2.3314 1.4827 1.5913 0.3529 0.1846 -0.3171 306 SER A CA 1957 C C . SER A 280 ? 2.2803 1.4568 1.5333 0.3159 0.1790 -0.3215 306 SER A C 1958 O O . SER A 280 ? 2.2743 1.4232 1.5195 0.2847 0.1668 -0.3196 306 SER A O 1959 C CB . SER A 280 ? 2.4201 1.4841 1.6379 0.3632 0.1860 -0.3377 306 SER A CB 1960 O OG . SER A 280 ? 2.4423 1.4533 1.6421 0.3297 0.1745 -0.3379 306 SER A OG 1961 N N . PHE A 281 ? 2.2402 1.4687 1.4954 0.3206 0.1883 -0.3276 307 PHE A N 1962 C CA . PHE A 281 ? 2.1966 1.4558 1.4442 0.2912 0.1832 -0.3298 307 PHE A CA 1963 C C . PHE A 281 ? 2.2454 1.4721 1.4469 0.2906 0.1864 -0.3588 307 PHE A C 1964 O O . PHE A 281 ? 2.2968 1.5115 1.4805 0.3188 0.2003 -0.3743 307 PHE A O 1965 C CB . PHE A 281 ? 2.1306 1.4677 1.4075 0.2957 0.1922 -0.3150 307 PHE A CB 1966 C CG . PHE A 281 ? 2.0658 1.4408 1.3887 0.2940 0.1879 -0.2884 307 PHE A CG 1967 C CD1 . PHE A 281 ? 2.0163 1.4122 1.3561 0.2638 0.1748 -0.2720 307 PHE A CD1 1968 C CD2 . PHE A 281 ? 2.0581 1.4508 1.4081 0.3237 0.1963 -0.2811 307 PHE A CD2 1969 C CE1 . PHE A 281 ? 1.9621 1.3920 1.3418 0.2624 0.1707 -0.2490 307 PHE A CE1 1970 C CE2 . PHE A 281 ? 2.0068 1.4359 1.3980 0.3223 0.1906 -0.2584 307 PHE A CE2 1971 C CZ . PHE A 281 ? 1.9603 1.4065 1.3649 0.2912 0.1781 -0.2425 307 PHE A CZ 1972 N N . THR A 282 ? 2.2388 1.4540 1.4218 0.2594 0.1731 -0.3670 308 THR A N 1973 C CA . THR A 282 ? 2.2962 1.4802 1.4336 0.2552 0.1720 -0.3963 308 THR A CA 1974 C C . THR A 282 ? 2.2729 1.4901 1.4017 0.2270 0.1598 -0.3980 308 THR A C 1975 O O . THR A 282 ? 2.2286 1.4528 1.3758 0.1991 0.1446 -0.3875 308 THR A O 1976 C CB . THR A 282 ? 2.3593 1.4629 1.4718 0.2492 0.1653 -0.4158 308 THR A CB 1977 O OG1 . THR A 282 ? 2.4171 1.4922 1.4852 0.2467 0.1642 -0.4469 308 THR A OG1 1978 C CG2 . THR A 282 ? 2.3378 1.4230 1.4668 0.2146 0.1486 -0.4059 308 THR A CG2 1979 N N . VAL A 283 ? 2.3075 1.5444 1.4065 0.2360 0.1667 -0.4115 309 VAL A N 1980 C CA . VAL A 283 ? 2.2979 1.5688 1.3831 0.2158 0.1559 -0.4125 309 VAL A CA 1981 C C . VAL A 283 ? 2.3619 1.5911 1.4091 0.1977 0.1395 -0.4418 309 VAL A C 1982 O O . VAL A 283 ? 2.4371 1.6239 1.4487 0.2109 0.1450 -0.4676 309 VAL A O 1983 C CB . VAL A 283 ? 2.2936 1.6067 1.3610 0.2348 0.1726 -0.4105 309 VAL A CB 1984 C CG1 . VAL A 283 ? 2.2687 1.6152 1.3202 0.2161 0.1605 -0.4071 309 VAL A CG1 1985 C CG2 . VAL A 283 ? 2.2460 1.6009 1.3534 0.2526 0.1907 -0.3855 309 VAL A CG2 1986 N N . VAL A 284 ? 2.3421 1.5857 1.3984 0.1680 0.1194 -0.4391 310 VAL A N 1987 C CA . VAL A 284 ? 2.3891 1.6035 1.4162 0.1471 0.1008 -0.4675 310 VAL A CA 1988 C C . VAL A 284 ? 2.4187 1.6555 1.4027 0.1549 0.0987 -0.4824 310 VAL A C 1989 O O . VAL A 284 ? 2.3814 1.6650 1.3688 0.1479 0.0911 -0.4691 310 VAL A O 1990 C CB . VAL A 284 ? 2.3434 1.5708 1.4017 0.1127 0.0800 -0.4598 310 VAL A CB 1991 C CG1 . VAL A 284 ? 2.3889 1.5963 1.4217 0.0902 0.0595 -0.4911 310 VAL A CG1 1992 C CG2 . VAL A 284 ? 2.3220 1.5207 1.4157 0.1045 0.0833 -0.4459 310 VAL A CG2 1993 N N . UNK A 324 ? 2.1031 1.6676 0.9302 0.1853 0.0955 -0.3345 470 UNK A N 1994 C CA . UNK A 324 ? 2.0791 1.6455 0.9342 0.1662 0.0623 -0.3455 470 UNK A CA 1995 C C . UNK A 324 ? 2.0055 1.5821 0.9329 0.1508 0.0639 -0.3312 470 UNK A C 1996 O O . UNK A 324 ? 1.9708 1.5728 0.9298 0.1438 0.0623 -0.3061 470 UNK A O 1997 N N . UNK A 325 ? 2.0013 1.5549 0.9513 0.1466 0.0669 -0.3473 471 UNK A N 1998 C CA . UNK A 325 ? 1.9342 1.4909 0.9470 0.1341 0.0694 -0.3352 471 UNK A CA 1999 C C . UNK A 325 ? 1.9477 1.4710 0.9669 0.1400 0.0821 -0.3515 471 UNK A C 2000 O O . UNK A 325 ? 2.0208 1.5188 0.9976 0.1521 0.0872 -0.3741 471 UNK A O 2001 C CB . UNK A 325 ? 1.9038 1.4684 0.9461 0.1111 0.0410 -0.3387 471 UNK A CB 2002 N N . UNK A 326 ? 1.8897 1.4108 0.9588 0.1333 0.0870 -0.3402 472 UNK A N 2003 C CA . UNK A 326 ? 1.9025 1.3885 0.9790 0.1404 0.0977 -0.3535 472 UNK A CA 2004 C C . UNK A 326 ? 1.8561 1.3348 0.9835 0.1257 0.0917 -0.3435 472 UNK A C 2005 O O . UNK A 326 ? 1.7848 1.2889 0.9500 0.1262 0.0998 -0.3184 472 UNK A O 2006 C CB . UNK A 326 ? 1.9097 1.4012 0.9800 0.1654 0.1266 -0.3461 472 UNK A CB 2007 N N . UNK A 327 ? 1.8768 1.3198 1.0028 0.1116 0.0779 -0.3638 473 UNK A N 2008 C CA . UNK A 327 ? 1.8472 1.2713 1.0122 0.0983 0.0747 -0.3573 473 UNK A CA 2009 C C . UNK A 327 ? 1.8800 1.2606 1.0386 0.1151 0.0900 -0.3666 473 UNK A C 2010 O O . UNK A 327 ? 1.9344 1.2930 1.0559 0.1312 0.0980 -0.3861 473 UNK A O 2011 C CB . UNK A 327 ? 1.8537 1.2639 1.0227 0.0704 0.0521 -0.3732 473 UNK A CB 2012 N N . UNK A 328 ? 1.8505 1.2179 1.0429 0.1129 0.0940 -0.3525 474 UNK A N 2013 C CA . UNK A 328 ? 1.8757 1.2034 1.0655 0.1328 0.1084 -0.3567 474 UNK A CA 2014 C C . UNK A 328 ? 1.8538 1.1588 1.0754 0.1243 0.1064 -0.3427 474 UNK A C 2015 O O . UNK A 328 ? 1.7917 1.1214 1.0429 0.1056 0.0976 -0.3253 474 UNK A O 2016 C CB . UNK A 328 ? 1.8638 1.2205 1.0561 0.1621 0.1282 -0.3456 474 UNK A CB 2017 N N . UNK A 329 ? 1.8964 1.1525 1.1087 0.1399 0.1152 -0.3503 475 UNK A N 2018 C CA . UNK A 329 ? 1.8944 1.1171 1.1269 0.1358 0.1148 -0.3380 475 UNK A CA 2019 C C . UNK A 329 ? 1.8932 1.1166 1.1384 0.1686 0.1291 -0.3240 475 UNK A C 2020 O O . UNK A 329 ? 1.9202 1.1413 1.1489 0.1953 0.1411 -0.3346 475 UNK A O 2021 C CB . UNK A 329 ? 1.9580 1.1107 1.1653 0.1226 0.1101 -0.3603 475 UNK A CB 2022 N N . UNK A 330 ? 1.8663 1.0954 1.1413 0.1671 0.1276 -0.3010 476 UNK A N 2023 C CA . UNK A 330 ? 1.8734 1.1014 1.1631 0.1976 0.1373 -0.2876 476 UNK A CA 2024 C C . UNK A 330 ? 1.9247 1.0863 1.2056 0.1966 0.1347 -0.2855 476 UNK A C 2025 O O . UNK A 330 ? 1.9076 1.0641 1.2028 0.1749 0.1269 -0.2710 476 UNK A O 2026 C CB . UNK A 330 ? 1.8001 1.0920 1.1297 0.1988 0.1369 -0.2619 476 UNK A CB 2027 N N . UNK A 331 ? 2.0055 1.1142 1.2608 0.2203 0.1423 -0.2997 477 UNK A N 2028 C CA . UNK A 331 ? 2.0693 1.1021 1.3072 0.2219 0.1417 -0.2995 477 UNK A CA 2029 C C . UNK A 331 ? 2.0782 1.1078 1.3297 0.2560 0.1463 -0.2809 477 UNK A C 2030 O O . UNK A 331 ? 2.0345 1.1251 1.3129 0.2765 0.1497 -0.2705 477 UNK A O 2031 C CB . UNK A 331 ? 2.1481 1.1156 1.3451 0.2263 0.1461 -0.3285 477 UNK A CB 2032 N N . UNK A 332 ? 2.1405 1.0988 1.3729 0.2613 0.1462 -0.2772 478 UNK A N 2033 C CA . UNK A 332 ? 2.1535 1.0971 1.3912 0.2968 0.1483 -0.2608 478 UNK A CA 2034 C C . UNK A 332 ? 2.2418 1.0994 1.4408 0.3207 0.1546 -0.2748 478 UNK A C 2035 O O . UNK A 332 ? 2.2729 1.1274 1.4601 0.3468 0.1622 -0.2935 478 UNK A O 2036 C CB . UNK A 332 ? 2.1265 1.0675 1.3780 0.2812 0.1407 -0.2345 478 UNK A CB 2037 N N . GLU B 1 ? 1.2961 1.0801 0.8050 -0.0325 0.1564 0.0139 502 GLU B N 2038 C CA . GLU B 1 ? 1.3068 1.0747 0.8108 -0.0337 0.1627 0.0217 502 GLU B CA 2039 C C . GLU B 1 ? 1.2849 1.0446 0.7695 -0.0217 0.1487 0.0309 502 GLU B C 2040 O O . GLU B 1 ? 1.2574 1.0332 0.7487 -0.0146 0.1313 0.0298 502 GLU B O 2041 C CB . GLU B 1 ? 1.3105 1.0950 0.8543 -0.0417 0.1630 0.0169 502 GLU B CB 2042 C CG . GLU B 1 ? 1.3246 1.1212 0.8948 -0.0531 0.1752 0.0074 502 GLU B CG 2043 C CD . GLU B 1 ? 1.3161 1.1284 0.9233 -0.0600 0.1733 0.0031 502 GLU B CD 2044 O OE1 . GLU B 1 ? 1.2760 1.1023 0.8982 -0.0554 0.1577 0.0031 502 GLU B OE1 2045 O OE2 . GLU B 1 ? 1.3462 1.1568 0.9674 -0.0702 0.1875 -0.0006 502 GLU B OE2 2046 N N . ALA B 2 ? 1.2772 1.0119 0.7395 -0.0198 0.1570 0.0400 503 ALA B N 2047 C CA . ALA B 2 ? 1.2605 0.9874 0.7100 -0.0086 0.1454 0.0490 503 ALA B CA 2048 C C . ALA B 2 ? 1.2010 0.9415 0.6832 -0.0115 0.1401 0.0473 503 ALA B C 2049 O O . ALA B 2 ? 1.1883 0.9349 0.6946 -0.0227 0.1492 0.0414 503 ALA B O 2050 C CB . ALA B 2 ? 1.3059 0.9981 0.7179 -0.0050 0.1575 0.0595 503 ALA B CB 2051 N N . ILE B 3 ? 1.1529 0.8987 0.6361 -0.0012 0.1253 0.0521 504 ILE B N 2052 C CA . ILE B 3 ? 1.0899 0.8454 0.5991 -0.0022 0.1204 0.0515 504 ILE B CA 2053 C C . ILE B 3 ? 1.0847 0.8134 0.5760 0.0005 0.1286 0.0602 504 ILE B C 2054 O O . ILE B 3 ? 1.1006 0.8146 0.5666 0.0122 0.1241 0.0691 504 ILE B O 2055 C CB . ILE B 3 ? 1.0577 0.8347 0.5814 0.0071 0.1012 0.0514 504 ILE B CB 2056 C CG1 . ILE B 3 ? 1.0373 0.8378 0.5747 0.0057 0.0923 0.0436 504 ILE B CG1 2057 C CG2 . ILE B 3 ? 1.0291 0.8153 0.5788 0.0049 0.0984 0.0500 504 ILE B CG2 2058 C CD1 . ILE B 3 ? 1.0115 0.8272 0.5764 -0.0061 0.0979 0.0339 504 ILE B CD1 2059 N N . VAL B 4 ? 1.0507 0.7735 0.5559 -0.0099 0.1399 0.0572 505 VAL B N 2060 C CA . VAL B 4 ? 1.0584 0.7549 0.5496 -0.0092 0.1489 0.0639 505 VAL B CA 2061 C C . VAL B 4 ? 1.0086 0.7161 0.5247 -0.0098 0.1419 0.0611 505 VAL B C 2062 O O . VAL B 4 ? 0.9806 0.7007 0.5225 -0.0210 0.1448 0.0527 505 VAL B O 2063 C CB . VAL B 4 ? 1.0818 0.7593 0.5677 -0.0225 0.1693 0.0619 505 VAL B CB 2064 C CG1 . VAL B 4 ? 1.1091 0.7572 0.5806 -0.0228 0.1795 0.0683 505 VAL B CG1 2065 C CG2 . VAL B 4 ? 1.1163 0.7823 0.5766 -0.0222 0.1779 0.0643 505 VAL B CG2 2066 N N . ASN B 5 ? 0.9960 0.6992 0.5045 0.0024 0.1328 0.0679 506 ASN B N 2067 C CA . ASN B 5 ? 0.9731 0.6842 0.5020 0.0027 0.1275 0.0656 506 ASN B CA 2068 C C . ASN B 5 ? 0.9846 0.6740 0.5120 -0.0068 0.1416 0.0644 506 ASN B C 2069 O O . ASN B 5 ? 1.0249 0.6853 0.5277 -0.0036 0.1510 0.0718 506 ASN B O 2070 C CB . ASN B 5 ? 0.9672 0.6783 0.4893 0.0185 0.1163 0.0731 506 ASN B CB 2071 C CG . ASN B 5 ? 0.9460 0.6684 0.4906 0.0188 0.1107 0.0697 506 ASN B CG 2072 O OD1 . ASN B 5 ? 0.9546 0.6635 0.5015 0.0125 0.1189 0.0678 506 ASN B OD1 2073 N ND2 . ASN B 5 ? 0.9133 0.6597 0.4738 0.0258 0.0972 0.0687 506 ASN B ND2 2074 N N . ALA B 6 ? 0.9596 0.6634 0.5134 -0.0185 0.1425 0.0548 507 ALA B N 2075 C CA . ALA B 6 ? 0.9686 0.6570 0.5269 -0.0299 0.1539 0.0508 507 ALA B CA 2076 C C . ALA B 6 ? 0.9487 0.6457 0.5244 -0.0296 0.1463 0.0466 507 ALA B C 2077 O O . ALA B 6 ? 0.9515 0.6512 0.5435 -0.0413 0.1499 0.0384 507 ALA B O 2078 C CB . ALA B 6 ? 0.9603 0.6588 0.5352 -0.0450 0.1619 0.0419 507 ALA B CB 2079 N N . GLN B 7 ? 0.9335 0.6348 0.5056 -0.0163 0.1358 0.0519 508 GLN B N 2080 C CA . GLN B 7 ? 0.9105 0.6182 0.4956 -0.0143 0.1294 0.0489 508 GLN B CA 2081 C C . GLN B 7 ? 0.9330 0.6108 0.5000 -0.0102 0.1369 0.0540 508 GLN B C 2082 O O . GLN B 7 ? 0.9564 0.6117 0.4999 -0.0040 0.1435 0.0623 508 GLN B O 2083 C CB . GLN B 7 ? 0.8912 0.6213 0.4854 -0.0026 0.1153 0.0513 508 GLN B CB 2084 C CG . GLN B 7 ? 0.8643 0.6225 0.4761 -0.0059 0.1076 0.0462 508 GLN B CG 2085 C CD . GLN B 7 ? 0.8505 0.6219 0.4839 -0.0190 0.1083 0.0360 508 GLN B CD 2086 O OE1 . GLN B 7 ? 0.8521 0.6235 0.4945 -0.0221 0.1071 0.0319 508 GLN B OE1 2087 N NE2 . GLN B 7 ? 0.8450 0.6273 0.4862 -0.0263 0.1104 0.0316 508 GLN B NE2 2088 N N . PRO B 8 ? 0.9256 0.6013 0.5015 -0.0132 0.1361 0.0490 509 PRO B N 2089 C CA . PRO B 8 ? 0.9509 0.5971 0.5094 -0.0087 0.1434 0.0532 509 PRO B CA 2090 C C . PRO B 8 ? 0.9623 0.6009 0.5052 0.0095 0.1396 0.0642 509 PRO B C 2091 O O . PRO B 8 ? 0.9983 0.6084 0.5193 0.0149 0.1480 0.0714 509 PRO B O 2092 C CB . PRO B 8 ? 0.9404 0.5929 0.5134 -0.0136 0.1396 0.0448 509 PRO B CB 2093 C CG . PRO B 8 ? 0.9142 0.5932 0.5104 -0.0251 0.1340 0.0353 509 PRO B CG 2094 C CD . PRO B 8 ? 0.8993 0.5973 0.4994 -0.0209 0.1289 0.0390 509 PRO B CD 2095 N N . LYS B 9 ? 0.9430 0.6071 0.4984 0.0187 0.1272 0.0655 510 LYS B N 2096 C CA . LYS B 9 ? 0.9594 0.6237 0.5057 0.0361 0.1214 0.0751 510 LYS B CA 2097 C C . LYS B 9 ? 0.9259 0.6192 0.4832 0.0406 0.1098 0.0759 510 LYS B C 2098 O O . LYS B 9 ? 0.9010 0.6144 0.4742 0.0309 0.1062 0.0689 510 LYS B O 2099 C CB . LYS B 9 ? 0.9761 0.6404 0.5281 0.0448 0.1187 0.0757 510 LYS B CB 2100 C CG . LYS B 9 ? 1.0275 0.6610 0.5666 0.0417 0.1299 0.0746 510 LYS B CG 2101 C CD . LYS B 9 ? 1.0655 0.6873 0.5972 0.0573 0.1303 0.0811 510 LYS B CD 2102 C CE . LYS B 9 ? 1.1117 0.6979 0.6265 0.0546 0.1428 0.0805 510 LYS B CE 2103 N NZ . LYS B 9 ? 1.1139 0.7020 0.6394 0.0429 0.1442 0.0695 510 LYS B NZ 2104 N N . CYS B 10 ? 0.9226 0.6169 0.4712 0.0555 0.1039 0.0843 511 CYS B N 2105 C CA . CYS B 10 ? 0.9034 0.6253 0.4630 0.0614 0.0913 0.0850 511 CYS B CA 2106 C C . CYS B 10 ? 0.8832 0.6123 0.4474 0.0773 0.0838 0.0908 511 CYS B C 2107 O O . CYS B 10 ? 0.9021 0.6123 0.4488 0.0888 0.0862 0.0990 511 CYS B O 2108 C CB . CYS B 10 ? 0.9343 0.6505 0.4753 0.0630 0.0909 0.0893 511 CYS B CB 2109 S SG . CYS B 10 ? 0.9251 0.6738 0.4778 0.0699 0.0746 0.0889 511 CYS B SG 2110 N N . ASN B 11 ? 0.8451 0.6011 0.4334 0.0783 0.0754 0.0867 512 ASN B N 2111 C CA . ASN B 11 ? 0.8348 0.6045 0.4322 0.0930 0.0669 0.0916 512 ASN B CA 2112 C C . ASN B 11 ? 0.8380 0.6210 0.4319 0.0985 0.0568 0.0945 512 ASN B C 2113 O O . ASN B 11 ? 0.8114 0.6152 0.4181 0.0913 0.0506 0.0888 512 ASN B O 2114 C CB . ASN B 11 ? 0.7991 0.5923 0.4234 0.0910 0.0628 0.0861 512 ASN B CB 2115 C CG . ASN B 11 ? 0.7922 0.6008 0.4296 0.1053 0.0557 0.0905 512 ASN B CG 2116 O OD1 . ASN B 11 ? 0.8088 0.6128 0.4366 0.1177 0.0521 0.0976 512 ASN B OD1 2117 N ND2 . ASN B 11 ? 0.7718 0.5989 0.4315 0.1039 0.0539 0.0864 512 ASN B ND2 2118 N N . PRO B 12 ? 0.8732 0.6432 0.4486 0.1118 0.0548 0.1032 513 PRO B N 2119 C CA . PRO B 12 ? 0.8835 0.6627 0.4503 0.1167 0.0449 0.1057 513 PRO B CA 2120 C C . PRO B 12 ? 0.8651 0.6777 0.4558 0.1234 0.0300 0.1037 513 PRO B C 2121 O O . PRO B 12 ? 0.8706 0.6938 0.4564 0.1258 0.0204 0.1037 513 PRO B O 2122 C CB . PRO B 12 ? 0.9203 0.6727 0.4587 0.1300 0.0475 0.1163 513 PRO B CB 2123 C CG . PRO B 12 ? 0.9219 0.6662 0.4673 0.1383 0.0523 0.1196 513 PRO B CG 2124 C CD . PRO B 12 ? 0.8969 0.6442 0.4589 0.1242 0.0603 0.1112 513 PRO B CD 2125 N N . ASN B 13 ? 0.8466 0.6748 0.4621 0.1260 0.0287 0.1018 514 ASN B N 2126 C CA . ASN B 13 ? 0.8316 0.6920 0.4735 0.1309 0.0164 0.0992 514 ASN B CA 2127 C C . ASN B 13 ? 0.8047 0.6839 0.4712 0.1180 0.0175 0.0904 514 ASN B C 2128 O O . ASN B 13 ? 0.7994 0.6687 0.4677 0.1106 0.0272 0.0878 514 ASN B O 2129 C CB . ASN B 13 ? 0.8389 0.7031 0.4908 0.1463 0.0143 0.1051 514 ASN B CB 2130 C CG . ASN B 13 ? 0.8772 0.7214 0.5040 0.1607 0.0128 0.1146 514 ASN B CG 2131 O OD1 . ASN B 13 ? 0.8817 0.7318 0.4991 0.1667 0.0021 0.1170 514 ASN B OD1 2132 N ND2 . ASN B 13 ? 0.8986 0.7172 0.5123 0.1663 0.0236 0.1199 514 ASN B ND2 2133 N N . LEU B 14 ? 0.7948 0.7000 0.4789 0.1156 0.0070 0.0857 515 LEU B N 2134 C CA . LEU B 14 ? 0.7705 0.6934 0.4769 0.1040 0.0072 0.0778 515 LEU B CA 2135 C C . LEU B 14 ? 0.7539 0.7031 0.4892 0.1096 0.0000 0.0767 515 LEU B C 2136 O O . LEU B 14 ? 0.7431 0.7111 0.4879 0.1127 -0.0113 0.0752 515 LEU B O 2137 C CB . LEU B 14 ? 0.7719 0.6999 0.4733 0.0938 0.0033 0.0721 515 LEU B CB 2138 C CG . LEU B 14 ? 0.7513 0.6965 0.4745 0.0822 0.0029 0.0639 515 LEU B CG 2139 C CD1 . LEU B 14 ? 0.7433 0.6803 0.4718 0.0758 0.0132 0.0624 515 LEU B CD1 2140 C CD2 . LEU B 14 ? 0.7628 0.7083 0.4772 0.0732 0.0010 0.0587 515 LEU B CD2 2141 N N . HIS B 15 ? 0.7399 0.6896 0.4886 0.1108 0.0071 0.0773 516 HIS B N 2142 C CA . HIS B 15 ? 0.7195 0.6932 0.4980 0.1139 0.0038 0.0757 516 HIS B CA 2143 C C . HIS B 15 ? 0.6888 0.6744 0.4817 0.1005 0.0045 0.0683 516 HIS B C 2144 O O . HIS B 15 ? 0.6746 0.6499 0.4649 0.0933 0.0133 0.0664 516 HIS B O 2145 C CB . HIS B 15 ? 0.7294 0.6951 0.5124 0.1214 0.0131 0.0798 516 HIS B CB 2146 C CG . HIS B 15 ? 0.7285 0.7180 0.5417 0.1272 0.0110 0.0795 516 HIS B CG 2147 N ND1 . HIS B 15 ? 0.7365 0.7228 0.5588 0.1313 0.0210 0.0812 516 HIS B ND1 2148 C CD2 . HIS B 15 ? 0.7217 0.7386 0.5587 0.1292 0.0009 0.0773 516 HIS B CD2 2149 C CE1 . HIS B 15 ? 0.7258 0.7367 0.5770 0.1357 0.0180 0.0806 516 HIS B CE1 2150 N NE2 . HIS B 15 ? 0.7180 0.7484 0.5798 0.1341 0.0054 0.0780 516 HIS B NE2 2151 N N . TYR B 16 ? 0.6739 0.6797 0.4805 0.0973 -0.0052 0.0640 517 TYR B N 2152 C CA . TYR B 16 ? 0.6553 0.6698 0.4723 0.0846 -0.0051 0.0570 517 TYR B CA 2153 C C . TYR B 16 ? 0.6299 0.6663 0.4775 0.0832 -0.0063 0.0541 517 TYR B C 2154 O O . TYR B 16 ? 0.6324 0.6828 0.4962 0.0915 -0.0099 0.0563 517 TYR B O 2155 C CB . TYR B 16 ? 0.6696 0.6871 0.4772 0.0795 -0.0134 0.0528 517 TYR B CB 2156 C CG . TYR B 16 ? 0.6828 0.7200 0.5013 0.0851 -0.0263 0.0515 517 TYR B CG 2157 C CD1 . TYR B 16 ? 0.6714 0.7313 0.5163 0.0802 -0.0319 0.0456 517 TYR B CD1 2158 C CD2 . TYR B 16 ? 0.7137 0.7460 0.5156 0.0952 -0.0332 0.0561 517 TYR B CD2 2159 C CE1 . TYR B 16 ? 0.6837 0.7627 0.5402 0.0846 -0.0447 0.0433 517 TYR B CE1 2160 C CE2 . TYR B 16 ? 0.7246 0.7756 0.5360 0.1008 -0.0468 0.0545 517 TYR B CE2 2161 C CZ . TYR B 16 ? 0.7106 0.7859 0.5502 0.0952 -0.0529 0.0476 517 TYR B CZ 2162 O OH . TYR B 16 ? 0.7213 0.8164 0.5717 0.1001 -0.0674 0.0449 517 TYR B OH 2163 N N . TRP B 17 ? 0.6065 0.6454 0.4620 0.0727 -0.0028 0.0492 518 TRP B N 2164 C CA . TRP B 17 ? 0.5911 0.6491 0.4739 0.0686 -0.0036 0.0456 518 TRP B CA 2165 C C . TRP B 17 ? 0.5918 0.6548 0.4766 0.0583 -0.0081 0.0388 518 TRP B C 2166 O O . TRP B 17 ? 0.5827 0.6323 0.4499 0.0528 -0.0061 0.0372 518 TRP B O 2167 C CB . TRP B 17 ? 0.5834 0.6361 0.4735 0.0672 0.0076 0.0473 518 TRP B CB 2168 C CG . TRP B 17 ? 0.5784 0.6119 0.4499 0.0610 0.0143 0.0466 518 TRP B CG 2169 C CD1 . TRP B 17 ? 0.5870 0.6010 0.4385 0.0639 0.0203 0.0499 518 TRP B CD1 2170 C CD2 . TRP B 17 ? 0.5701 0.6026 0.4422 0.0510 0.0148 0.0419 518 TRP B CD2 2171 N NE1 . TRP B 17 ? 0.5859 0.5883 0.4266 0.0558 0.0238 0.0471 518 TRP B NE1 2172 C CE2 . TRP B 17 ? 0.5755 0.5892 0.4286 0.0485 0.0205 0.0425 518 TRP B CE2 2173 C CE3 . TRP B 17 ? 0.5618 0.6070 0.4492 0.0441 0.0111 0.0369 518 TRP B CE3 2174 C CZ2 . TRP B 17 ? 0.5769 0.5860 0.4269 0.0402 0.0217 0.0387 518 TRP B CZ2 2175 C CZ3 . TRP B 17 ? 0.5585 0.5970 0.4412 0.0362 0.0132 0.0336 518 TRP B CZ3 2176 C CH2 . TRP B 17 ? 0.5658 0.5873 0.4306 0.0348 0.0181 0.0346 518 TRP B CH2 2177 N N . THR B 18 ? 0.6051 0.6878 0.5126 0.0554 -0.0138 0.0345 519 THR B N 2178 C CA . THR B 18 ? 0.6258 0.7130 0.5387 0.0453 -0.0166 0.0276 519 THR B CA 2179 C C . THR B 18 ? 0.6490 0.7555 0.5923 0.0418 -0.0176 0.0241 519 THR B C 2180 O O . THR B 18 ? 0.6408 0.7576 0.6011 0.0472 -0.0158 0.0271 519 THR B O 2181 C CB . THR B 18 ? 0.6329 0.7197 0.5308 0.0443 -0.0263 0.0239 519 THR B CB 2182 O OG1 . THR B 18 ? 0.6299 0.7169 0.5297 0.0345 -0.0267 0.0171 519 THR B OG1 2183 C CG2 . THR B 18 ? 0.6346 0.7387 0.5426 0.0502 -0.0379 0.0227 519 THR B CG2 2184 N N . THR B 19 ? 0.7016 0.8121 0.6524 0.0326 -0.0194 0.0177 520 THR B N 2185 C CA . THR B 19 ? 0.7561 0.8835 0.7356 0.0275 -0.0203 0.0133 520 THR B CA 2186 C C . THR B 19 ? 0.8463 0.9899 0.8342 0.0268 -0.0336 0.0070 520 THR B C 2187 O O . THR B 19 ? 0.8685 1.0064 0.8366 0.0272 -0.0409 0.0046 520 THR B O 2188 C CB . THR B 19 ? 0.7437 0.8642 0.7266 0.0177 -0.0143 0.0095 520 THR B CB 2189 O OG1 . THR B 19 ? 0.7394 0.8532 0.7066 0.0133 -0.0196 0.0044 520 THR B OG1 2190 C CG2 . THR B 19 ? 0.7401 0.8447 0.7136 0.0185 -0.0025 0.0152 520 THR B CG2 2191 N N . GLN B 20 ? 0.9511 1.1147 0.9682 0.0255 -0.0365 0.0041 521 GLN B N 2192 C CA . GLN B 20 ? 1.0483 1.2289 1.0774 0.0223 -0.0497 -0.0040 521 GLN B CA 2193 C C . GLN B 20 ? 1.1040 1.2828 1.1415 0.0099 -0.0474 -0.0117 521 GLN B C 2194 O O . GLN B 20 ? 1.1113 1.2981 1.1743 0.0040 -0.0415 -0.0137 521 GLN B O 2195 C CB . GLN B 20 ? 1.0689 1.2738 1.1280 0.0268 -0.0549 -0.0043 521 GLN B CB 2196 C CG . GLN B 20 ? 1.0994 1.3218 1.1637 0.0280 -0.0725 -0.0112 521 GLN B CG 2197 C CD . GLN B 20 ? 1.1225 1.3687 1.2122 0.0363 -0.0796 -0.0098 521 GLN B CD 2198 O OE1 . GLN B 20 ? 1.1212 1.3700 1.2234 0.0422 -0.0703 -0.0030 521 GLN B OE1 2199 N NE2 . GLN B 20 ? 1.1467 1.4108 1.2441 0.0372 -0.0964 -0.0167 521 GLN B NE2 2200 N N . ASP B 21 ? 1.1707 1.3371 1.1858 0.0064 -0.0507 -0.0157 522 ASP B N 2201 C CA . ASP B 21 ? 1.2211 1.3821 1.2396 -0.0042 -0.0483 -0.0230 522 ASP B CA 2202 C C . ASP B 21 ? 1.2512 1.4305 1.2954 -0.0114 -0.0562 -0.0326 522 ASP B C 2203 O O . ASP B 21 ? 1.2366 1.4138 1.2942 -0.0205 -0.0510 -0.0375 522 ASP B O 2204 C CB . ASP B 21 ? 1.2517 1.3971 1.2406 -0.0051 -0.0506 -0.0256 522 ASP B CB 2205 C CG . ASP B 21 ? 1.2604 1.3959 1.2501 -0.0143 -0.0450 -0.0313 522 ASP B CG 2206 O OD1 . ASP B 21 ? 1.2682 1.3951 1.2630 -0.0162 -0.0341 -0.0273 522 ASP B OD1 2207 O OD2 . ASP B 21 ? 1.2708 1.4059 1.2543 -0.0189 -0.0514 -0.0397 522 ASP B OD2 2208 N N . GLU B 22 ? 1.2932 1.4897 1.3439 -0.0070 -0.0692 -0.0353 523 GLU B N 2209 C CA . GLU B 22 ? 1.3002 1.5179 1.3789 -0.0132 -0.0784 -0.0447 523 GLU B CA 2210 C C . GLU B 22 ? 1.3049 1.5447 1.4043 -0.0053 -0.0849 -0.0415 523 GLU B C 2211 O O . GLU B 22 ? 1.3356 1.5858 1.4283 0.0012 -0.0994 -0.0434 523 GLU B O 2212 C CB . GLU B 22 ? 1.3116 1.5290 1.3750 -0.0169 -0.0917 -0.0548 523 GLU B CB 2213 C CG . GLU B 22 ? 1.3100 1.5484 1.4007 -0.0247 -0.1028 -0.0667 523 GLU B CG 2214 C CD . GLU B 22 ? 1.2954 1.5351 1.4144 -0.0366 -0.0923 -0.0711 523 GLU B CD 2215 O OE1 . GLU B 22 ? 1.2818 1.5014 1.3902 -0.0410 -0.0798 -0.0690 523 GLU B OE1 2216 O OE2 . GLU B 22 ? 1.2908 1.5516 1.4433 -0.0415 -0.0964 -0.0766 523 GLU B OE2 2217 N N . GLY B 23 ? 1.2784 1.5245 1.4021 -0.0051 -0.0738 -0.0365 524 GLY B N 2218 C CA . GLY B 23 ? 1.2693 1.5381 1.4188 0.0018 -0.0776 -0.0339 524 GLY B CA 2219 C C . GLY B 23 ? 1.2659 1.5613 1.4501 -0.0053 -0.0883 -0.0447 524 GLY B C 2220 O O . GLY B 23 ? 1.2563 1.5515 1.4550 -0.0179 -0.0845 -0.0523 524 GLY B O 2221 N N . ALA B 24 ? 1.2639 1.5818 1.4615 0.0027 -0.1019 -0.0458 525 ALA B N 2222 C CA . ALA B 24 ? 1.2496 1.5978 1.4870 -0.0031 -0.1122 -0.0558 525 ALA B CA 2223 C C . ALA B 24 ? 1.2190 1.5798 1.4947 -0.0054 -0.0972 -0.0523 525 ALA B C 2224 O O . ALA B 24 ? 1.2275 1.6050 1.5210 0.0045 -0.0979 -0.0471 525 ALA B O 2225 C CB . ALA B 24 ? 1.2536 1.6220 1.4915 0.0078 -0.1329 -0.0576 525 ALA B CB 2226 N N . ALA B 25 ? 1.1735 1.5249 1.4605 -0.0182 -0.0829 -0.0548 526 ALA B N 2227 C CA . ALA B 25 ? 1.1272 1.4815 1.4415 -0.0208 -0.0638 -0.0494 526 ALA B CA 2228 C C . ALA B 25 ? 1.0870 1.4761 1.4491 -0.0207 -0.0675 -0.0535 526 ALA B C 2229 O O . ALA B 25 ? 1.0962 1.5085 1.4785 -0.0245 -0.0843 -0.0641 526 ALA B O 2230 C CB . ALA B 25 ? 1.1158 1.4528 1.4322 -0.0349 -0.0494 -0.0521 526 ALA B CB 2231 N N . ILE B 26 ? 1.0272 1.4194 1.4072 -0.0164 -0.0513 -0.0455 527 ILE B N 2232 C CA . ILE B 26 ? 0.9854 1.4105 1.4110 -0.0135 -0.0520 -0.0473 527 ILE B CA 2233 C C . ILE B 26 ? 0.9267 1.3557 1.3870 -0.0272 -0.0333 -0.0500 527 ILE B C 2234 O O . ILE B 26 ? 0.9274 1.3431 1.3868 -0.0254 -0.0125 -0.0411 527 ILE B O 2235 C CB . ILE B 26 ? 0.9955 1.4223 1.4158 0.0039 -0.0472 -0.0359 527 ILE B CB 2236 C CG1 . ILE B 26 ? 1.0033 1.4101 1.3756 0.0163 -0.0574 -0.0296 527 ILE B CG1 2237 C CG2 . ILE B 26 ? 0.9905 1.4561 1.4555 0.0100 -0.0563 -0.0395 527 ILE B CG2 2238 C CD1 . ILE B 26 ? 0.9955 1.3649 1.3265 0.0167 -0.0426 -0.0209 527 ILE B CD1 2239 N N . GLY B 27 ? 0.8679 1.3131 1.3565 -0.0411 -0.0403 -0.0624 528 GLY B N 2240 C CA . GLY B 27 ? 0.8192 1.2667 1.3409 -0.0560 -0.0228 -0.0660 528 GLY B CA 2241 C C . GLY B 27 ? 0.7748 1.1846 1.2661 -0.0636 -0.0063 -0.0614 528 GLY B C 2242 O O . GLY B 27 ? 0.7601 1.1538 1.2262 -0.0692 -0.0147 -0.0664 528 GLY B O 2243 N N . LEU B 28 ? 0.7210 1.1167 1.2136 -0.0630 0.0169 -0.0518 529 LEU B N 2244 C CA . LEU B 28 ? 0.6894 1.0499 1.1557 -0.0694 0.0340 -0.0465 529 LEU B CA 2245 C C . LEU B 28 ? 0.6467 0.9776 1.0636 -0.0574 0.0381 -0.0348 529 LEU B C 2246 O O . LEU B 28 ? 0.6496 0.9518 1.0435 -0.0608 0.0514 -0.0296 529 LEU B O 2247 C CB . LEU B 28 ? 0.6952 1.0549 1.1904 -0.0771 0.0582 -0.0432 529 LEU B CB 2248 C CG . LEU B 28 ? 0.7035 1.0898 1.2510 -0.0915 0.0593 -0.0544 529 LEU B CG 2249 C CD1 . LEU B 28 ? 0.7089 1.0910 1.2801 -0.0970 0.0865 -0.0486 529 LEU B CD1 2250 C CD2 . LEU B 28 ? 0.7098 1.0886 1.2558 -0.1059 0.0507 -0.0655 529 LEU B CD2 2251 N N . ALA B 29 ? 0.6008 0.9380 1.0014 -0.0436 0.0263 -0.0311 530 ALA B N 2252 C CA . ALA B 29 ? 0.5655 0.8769 0.9227 -0.0322 0.0303 -0.0205 530 ALA B CA 2253 C C . ALA B 29 ? 0.5378 0.8215 0.8558 -0.0354 0.0264 -0.0208 530 ALA B C 2254 O O . ALA B 29 ? 0.5323 0.7920 0.8174 -0.0291 0.0335 -0.0124 530 ALA B O 2255 C CB . ALA B 29 ? 0.5662 0.8908 0.9165 -0.0177 0.0174 -0.0176 530 ALA B CB 2256 N N . TRP B 30 ? 0.5103 0.7983 0.8323 -0.0446 0.0146 -0.0309 531 TRP B N 2257 C CA . TRP B 30 ? 0.4932 0.7563 0.7831 -0.0489 0.0122 -0.0325 531 TRP B CA 2258 C C . TRP B 30 ? 0.4846 0.7238 0.7693 -0.0565 0.0302 -0.0290 531 TRP B C 2259 O O . TRP B 30 ? 0.4760 0.6916 0.7302 -0.0561 0.0314 -0.0266 531 TRP B O 2260 C CB . TRP B 30 ? 0.4872 0.7614 0.7834 -0.0566 -0.0048 -0.0453 531 TRP B CB 2261 C CG . TRP B 30 ? 0.4809 0.7713 0.8166 -0.0700 -0.0030 -0.0548 531 TRP B CG 2262 C CD1 . TRP B 30 ? 0.4804 0.8022 0.8538 -0.0721 -0.0105 -0.0613 531 TRP B CD1 2263 C CD2 . TRP B 30 ? 0.4804 0.7564 0.8227 -0.0832 0.0070 -0.0593 531 TRP B CD2 2264 N NE1 . TRP B 30 ? 0.4839 0.8123 0.8883 -0.0869 -0.0055 -0.0701 531 TRP B NE1 2265 C CE2 . TRP B 30 ? 0.4846 0.7837 0.8695 -0.0940 0.0057 -0.0688 531 TRP B CE2 2266 C CE3 . TRP B 30 ? 0.4812 0.7267 0.7981 -0.0866 0.0167 -0.0562 531 TRP B CE3 2267 C CZ2 . TRP B 30 ? 0.4898 0.7805 0.8915 -0.1087 0.0150 -0.0752 531 TRP B CZ2 2268 C CZ3 . TRP B 30 ? 0.4852 0.7220 0.8177 -0.0999 0.0255 -0.0619 531 TRP B CZ3 2269 C CH2 . TRP B 30 ? 0.4914 0.7497 0.8652 -0.1112 0.0251 -0.0713 531 TRP B CH2 2270 N N . ILE B 31 ? 0.4851 0.7308 0.8001 -0.0634 0.0438 -0.0288 532 ILE B N 2271 C CA . ILE B 31 ? 0.4915 0.7137 0.8022 -0.0702 0.0624 -0.0244 532 ILE B CA 2272 C C . ILE B 31 ? 0.4905 0.6915 0.7716 -0.0596 0.0740 -0.0116 532 ILE B C 2273 O O . ILE B 31 ? 0.4935 0.7038 0.7819 -0.0521 0.0795 -0.0060 532 ILE B O 2274 C CB . ILE B 31 ? 0.4971 0.7323 0.8488 -0.0799 0.0757 -0.0269 532 ILE B CB 2275 C CG1 . ILE B 31 ? 0.4971 0.7519 0.8788 -0.0923 0.0641 -0.0410 532 ILE B CG1 2276 C CG2 . ILE B 31 ? 0.5075 0.7151 0.8505 -0.0847 0.0972 -0.0198 532 ILE B CG2 2277 C CD1 . ILE B 31 ? 0.5019 0.7789 0.9314 -0.1016 0.0732 -0.0455 532 ILE B CD1 2278 N N . PRO B 32 ? 0.4929 0.6658 0.7412 -0.0587 0.0775 -0.0074 533 PRO B N 2279 C CA . PRO B 32 ? 0.4975 0.6495 0.7152 -0.0489 0.0865 0.0037 533 PRO B CA 2280 C C . PRO B 32 ? 0.5081 0.6579 0.7364 -0.0467 0.1050 0.0115 533 PRO B C 2281 O O . PRO B 32 ? 0.5069 0.6545 0.7218 -0.0367 0.1082 0.0182 533 PRO B O 2282 C CB . PRO B 32 ? 0.5045 0.6295 0.6978 -0.0521 0.0897 0.0050 533 PRO B CB 2283 C CG . PRO B 32 ? 0.4997 0.6319 0.7005 -0.0596 0.0766 -0.0055 533 PRO B CG 2284 C CD . PRO B 32 ? 0.4954 0.6553 0.7336 -0.0662 0.0721 -0.0136 533 PRO B CD 2285 N N . TYR B 33 ? 0.5214 0.6710 0.7735 -0.0563 0.1178 0.0101 534 TYR B N 2286 C CA . TYR B 33 ? 0.5398 0.6876 0.8050 -0.0558 0.1376 0.0168 534 TYR B CA 2287 C C . TYR B 33 ? 0.5379 0.7114 0.8248 -0.0491 0.1369 0.0172 534 TYR B C 2288 O O . TYR B 33 ? 0.5506 0.7167 0.8292 -0.0417 0.1500 0.0253 534 TYR B O 2289 C CB . TYR B 33 ? 0.5514 0.6983 0.8443 -0.0693 0.1503 0.0134 534 TYR B CB 2290 C CG . TYR B 33 ? 0.5663 0.7115 0.8753 -0.0702 0.1727 0.0199 534 TYR B CG 2291 C CD1 . TYR B 33 ? 0.5659 0.7403 0.9188 -0.0747 0.1768 0.0151 534 TYR B CD1 2292 C CD2 . TYR B 33 ? 0.5860 0.7007 0.8665 -0.0662 0.1900 0.0306 534 TYR B CD2 2293 C CE1 . TYR B 33 ? 0.5819 0.7553 0.9510 -0.0756 0.1992 0.0209 534 TYR B CE1 2294 C CE2 . TYR B 33 ? 0.6019 0.7133 0.8947 -0.0668 0.2122 0.0368 534 TYR B CE2 2295 C CZ . TYR B 33 ? 0.6002 0.7408 0.9379 -0.0717 0.2175 0.0319 534 TYR B CZ 2296 O OH . TYR B 33 ? 0.6236 0.7614 0.9753 -0.0727 0.2411 0.0378 534 TYR B OH 2297 N N . PHE B 34 ? 0.5280 0.7304 0.8412 -0.0510 0.1215 0.0084 535 PHE B N 2298 C CA . PHE B 34 ? 0.5207 0.7502 0.8579 -0.0439 0.1188 0.0081 535 PHE B CA 2299 C C . PHE B 34 ? 0.5239 0.7556 0.8369 -0.0307 0.1040 0.0104 535 PHE B C 2300 O O . PHE B 34 ? 0.5311 0.7752 0.8525 -0.0214 0.1060 0.0139 535 PHE B O 2301 C CB . PHE B 34 ? 0.5093 0.7715 0.8924 -0.0527 0.1102 -0.0027 535 PHE B CB 2302 C CG . PHE B 34 ? 0.5114 0.7764 0.9271 -0.0652 0.1276 -0.0048 535 PHE B CG 2303 C CD1 . PHE B 34 ? 0.5117 0.7788 0.9438 -0.0630 0.1481 0.0016 535 PHE B CD1 2304 C CD2 . PHE B 34 ? 0.5091 0.7733 0.9387 -0.0795 0.1248 -0.0133 535 PHE B CD2 2305 C CE1 . PHE B 34 ? 0.5204 0.7888 0.9823 -0.0750 0.1660 0.0001 535 PHE B CE1 2306 C CE2 . PHE B 34 ? 0.5135 0.7786 0.9733 -0.0918 0.1421 -0.0151 535 PHE B CE2 2307 C CZ . PHE B 34 ? 0.5234 0.7907 0.9995 -0.0897 0.1630 -0.0081 535 PHE B CZ 2308 N N . GLY B 35 ? 0.5339 0.7530 0.8174 -0.0299 0.0905 0.0086 536 GLY B N 2309 C CA . GLY B 35 ? 0.5358 0.7575 0.7978 -0.0191 0.0756 0.0096 536 GLY B CA 2310 C C . GLY B 35 ? 0.5458 0.7497 0.7789 -0.0075 0.0835 0.0194 536 GLY B C 2311 O O . GLY B 35 ? 0.5520 0.7428 0.7817 -0.0068 0.1008 0.0256 536 GLY B O 2312 N N . PRO B 36 ? 0.5559 0.7577 0.7663 0.0013 0.0713 0.0206 537 PRO B N 2313 C CA . PRO B 36 ? 0.5721 0.7562 0.7547 0.0117 0.0781 0.0289 537 PRO B CA 2314 C C . PRO B 36 ? 0.5934 0.7474 0.7425 0.0096 0.0853 0.0331 537 PRO B C 2315 O O . PRO B 36 ? 0.5878 0.7340 0.7299 0.0019 0.0810 0.0295 537 PRO B O 2316 C CB . PRO B 36 ? 0.5675 0.7571 0.7359 0.0200 0.0619 0.0280 537 PRO B CB 2317 C CG . PRO B 36 ? 0.5623 0.7691 0.7450 0.0138 0.0460 0.0194 537 PRO B CG 2318 C CD . PRO B 36 ? 0.5580 0.7685 0.7622 0.0012 0.0515 0.0144 537 PRO B CD 2319 N N . ALA B 37 ? 0.6092 0.7466 0.7379 0.0170 0.0958 0.0402 538 ALA B N 2320 C CA . ALA B 37 ? 0.6288 0.7384 0.7227 0.0173 0.1000 0.0442 538 ALA B CA 2321 C C . ALA B 37 ? 0.6338 0.7373 0.7032 0.0202 0.0854 0.0424 538 ALA B C 2322 O O . ALA B 37 ? 0.6419 0.7601 0.7183 0.0231 0.0739 0.0393 538 ALA B O 2323 C CB . ALA B 37 ? 0.6407 0.7351 0.7195 0.0244 0.1146 0.0514 538 ALA B CB 2324 N N . ALA B 38 ? 0.6434 0.7250 0.6841 0.0196 0.0862 0.0445 539 ALA B N 2325 C CA . ALA B 38 ? 0.6380 0.7115 0.6547 0.0216 0.0747 0.0429 539 ALA B CA 2326 C C . ALA B 38 ? 0.6437 0.7213 0.6531 0.0300 0.0695 0.0442 539 ALA B C 2327 O O . ALA B 38 ? 0.6446 0.7254 0.6465 0.0305 0.0580 0.0413 539 ALA B O 2328 C CB . ALA B 38 ? 0.6428 0.6927 0.6316 0.0217 0.0789 0.0460 539 ALA B CB 2329 N N . GLU B 39 ? 0.6531 0.7294 0.6639 0.0368 0.0787 0.0487 540 GLU B N 2330 C CA . GLU B 39 ? 0.6663 0.7427 0.6681 0.0459 0.0756 0.0508 540 GLU B CA 2331 C C . GLU B 39 ? 0.6354 0.7353 0.6607 0.0491 0.0668 0.0484 540 GLU B C 2332 O O . GLU B 39 ? 0.6384 0.7380 0.6544 0.0566 0.0612 0.0498 540 GLU B O 2333 C CB . GLU B 39 ? 0.7053 0.7704 0.6995 0.0529 0.0893 0.0561 540 GLU B CB 2334 C CG . GLU B 39 ? 0.7441 0.7835 0.7084 0.0521 0.0960 0.0586 540 GLU B CG 2335 C CD . GLU B 39 ? 0.7732 0.8068 0.7403 0.0454 0.1036 0.0592 540 GLU B CD 2336 O OE1 . GLU B 39 ? 0.8069 0.8239 0.7518 0.0425 0.1020 0.0593 540 GLU B OE1 2337 O OE2 . GLU B 39 ? 0.7900 0.8356 0.7819 0.0430 0.1112 0.0596 540 GLU B OE2 2338 N N . GLY B 40 ? 0.6055 0.7250 0.6606 0.0438 0.0656 0.0448 541 GLY B N 2339 C CA . GLY B 40 ? 0.5957 0.7403 0.6766 0.0470 0.0568 0.0420 541 GLY B CA 2340 C C . GLY B 40 ? 0.5793 0.7364 0.6664 0.0412 0.0412 0.0353 541 GLY B C 2341 O O . GLY B 40 ? 0.5721 0.7523 0.6851 0.0416 0.0337 0.0316 541 GLY B O 2342 N N . ILE B 41 ? 0.5700 0.7125 0.6340 0.0362 0.0362 0.0334 542 ILE B N 2343 C CA . ILE B 41 ? 0.5664 0.7178 0.6330 0.0303 0.0228 0.0265 542 ILE B CA 2344 C C . ILE B 41 ? 0.5688 0.7179 0.6152 0.0365 0.0109 0.0265 542 ILE B C 2345 O O . ILE B 41 ? 0.5679 0.7215 0.6109 0.0325 0.0000 0.0211 542 ILE B O 2346 C CB . ILE B 41 ? 0.5615 0.6996 0.6180 0.0206 0.0248 0.0234 542 ILE B CB 2347 C CG1 . ILE B 41 ? 0.5634 0.6782 0.5871 0.0226 0.0273 0.0269 542 ILE B CG1 2348 C CG2 . ILE B 41 ? 0.5638 0.7021 0.6388 0.0144 0.0367 0.0238 542 ILE B CG2 2349 C CD1 . ILE B 41 ? 0.5650 0.6691 0.5792 0.0146 0.0266 0.0233 542 ILE B CD1 2350 N N . TYR B 42 ? 0.5778 0.7182 0.6093 0.0461 0.0137 0.0325 543 TYR B N 2351 C CA . TYR B 42 ? 0.5891 0.7211 0.5965 0.0517 0.0053 0.0338 543 TYR B CA 2352 C C . TYR B 42 ? 0.6052 0.7541 0.6235 0.0604 -0.0045 0.0343 543 TYR B C 2353 O O . TYR B 42 ? 0.6120 0.7755 0.6535 0.0656 -0.0018 0.0359 543 TYR B O 2354 C CB . TYR B 42 ? 0.5893 0.6986 0.5712 0.0567 0.0139 0.0398 543 TYR B CB 2355 C CG . TYR B 42 ? 0.5772 0.6704 0.5471 0.0492 0.0218 0.0393 543 TYR B CG 2356 C CD1 . TYR B 42 ? 0.5728 0.6563 0.5260 0.0430 0.0175 0.0361 543 TYR B CD1 2357 C CD2 . TYR B 42 ? 0.5751 0.6631 0.5508 0.0488 0.0338 0.0421 543 TYR B CD2 2358 C CE1 . TYR B 42 ? 0.5688 0.6392 0.5129 0.0371 0.0236 0.0356 543 TYR B CE1 2359 C CE2 . TYR B 42 ? 0.5669 0.6400 0.5303 0.0430 0.0398 0.0420 543 TYR B CE2 2360 C CZ . TYR B 42 ? 0.5625 0.6276 0.5111 0.0374 0.0340 0.0387 543 TYR B CZ 2361 O OH . TYR B 42 ? 0.5513 0.6031 0.4894 0.0328 0.0389 0.0387 543 TYR B OH 2362 N N . ILE B 43 ? 0.6319 0.7784 0.6331 0.0623 -0.0157 0.0327 544 ILE B N 2363 C CA . ILE B 43 ? 0.6574 0.8135 0.6585 0.0728 -0.0260 0.0347 544 ILE B CA 2364 C C . ILE B 43 ? 0.6706 0.8033 0.6381 0.0796 -0.0239 0.0407 544 ILE B C 2365 O O . ILE B 43 ? 0.6571 0.7704 0.6033 0.0738 -0.0180 0.0408 544 ILE B O 2366 C CB . ILE B 43 ? 0.6753 0.8473 0.6822 0.0699 -0.0419 0.0279 544 ILE B CB 2367 C CG1 . ILE B 43 ? 0.6940 0.8505 0.6750 0.0622 -0.0447 0.0242 544 ILE B CG1 2368 C CG2 . ILE B 43 ? 0.6633 0.8592 0.7065 0.0627 -0.0440 0.0213 544 ILE B CG2 2369 C CD1 . ILE B 43 ? 0.7196 0.8871 0.6979 0.0613 -0.0602 0.0181 544 ILE B CD1 2370 N N . GLU B 44 ? 0.6956 0.8303 0.6595 0.0919 -0.0285 0.0455 545 GLU B N 2371 C CA . GLU B 44 ? 0.7222 0.8334 0.6548 0.0991 -0.0257 0.0517 545 GLU B CA 2372 C C . GLU B 44 ? 0.7239 0.8379 0.6445 0.1082 -0.0388 0.0536 545 GLU B C 2373 O O . GLU B 44 ? 0.7165 0.8531 0.6564 0.1119 -0.0503 0.0509 545 GLU B O 2374 C CB . GLU B 44 ? 0.7482 0.8512 0.6830 0.1075 -0.0143 0.0581 545 GLU B CB 2375 C CG . GLU B 44 ? 0.7682 0.8932 0.7314 0.1178 -0.0171 0.0600 545 GLU B CG 2376 C CD . GLU B 44 ? 0.8081 0.9202 0.7635 0.1305 -0.0089 0.0674 545 GLU B CD 2377 O OE1 . GLU B 44 ? 0.8238 0.9183 0.7529 0.1379 -0.0115 0.0719 545 GLU B OE1 2378 O OE2 . GLU B 44 ? 0.8298 0.9482 0.8047 0.1332 0.0010 0.0686 545 GLU B OE2 2379 N N . GLY B 45 ? 0.7339 0.8240 0.6219 0.1118 -0.0369 0.0581 546 GLY B N 2380 C CA . GLY B 45 ? 0.7466 0.8330 0.6167 0.1225 -0.0472 0.0620 546 GLY B CA 2381 C C . GLY B 45 ? 0.7608 0.8162 0.5968 0.1261 -0.0391 0.0684 546 GLY B C 2382 O O . GLY B 45 ? 0.7548 0.7938 0.5826 0.1192 -0.0268 0.0685 546 GLY B O 2383 N N . LEU B 46 ? 0.7830 0.8299 0.5986 0.1368 -0.0463 0.0736 547 LEU B N 2384 C CA . LEU B 46 ? 0.8059 0.8218 0.5886 0.1417 -0.0384 0.0806 547 LEU B CA 2385 C C . LEU B 46 ? 0.8256 0.8299 0.5788 0.1425 -0.0460 0.0816 547 LEU B C 2386 O O . LEU B 46 ? 0.8441 0.8606 0.5973 0.1510 -0.0596 0.0824 547 LEU B O 2387 C CB . LEU B 46 ? 0.8225 0.8343 0.6074 0.1577 -0.0367 0.0886 547 LEU B CB 2388 C CG . LEU B 46 ? 0.8500 0.8279 0.6039 0.1637 -0.0264 0.0963 547 LEU B CG 2389 C CD1 . LEU B 46 ? 0.8432 0.8024 0.5897 0.1516 -0.0112 0.0939 547 LEU B CD1 2390 C CD2 . LEU B 46 ? 0.8666 0.8443 0.6276 0.1807 -0.0258 0.1035 547 LEU B CD2 2391 N N . MET B 47 ? 0.8413 0.8225 0.5698 0.1337 -0.0371 0.0812 548 MET B N 2392 C CA . MET B 47 ? 0.8724 0.8379 0.5693 0.1336 -0.0406 0.0826 548 MET B CA 2393 C C . MET B 47 ? 0.8802 0.8136 0.5476 0.1394 -0.0302 0.0911 548 MET B C 2394 O O . MET B 47 ? 0.8708 0.7902 0.5384 0.1345 -0.0173 0.0918 548 MET B O 2395 C CB . MET B 47 ? 0.8853 0.8497 0.5783 0.1178 -0.0370 0.0748 548 MET B CB 2396 C CG . MET B 47 ? 0.8937 0.8859 0.6117 0.1111 -0.0467 0.0659 548 MET B CG 2397 S SD . MET B 47 ? 0.9316 0.9233 0.6573 0.0926 -0.0373 0.0572 548 MET B SD 2398 C CE . MET B 47 ? 0.9406 0.9092 0.6287 0.0888 -0.0340 0.0574 548 MET B CE 2399 N N . HIS B 48 ? 0.8960 0.8165 0.5369 0.1497 -0.0360 0.0973 549 HIS B N 2400 C CA . HIS B 48 ? 0.9143 0.8010 0.5235 0.1556 -0.0260 0.1060 549 HIS B CA 2401 C C . HIS B 48 ? 0.9130 0.7792 0.4925 0.1460 -0.0198 0.1048 549 HIS B C 2402 O O . HIS B 48 ? 0.8951 0.7741 0.4780 0.1370 -0.0248 0.0976 549 HIS B O 2403 C CB . HIS B 48 ? 0.9436 0.8273 0.5422 0.1751 -0.0353 0.1150 549 HIS B CB 2404 C CG . HIS B 48 ? 0.9422 0.8485 0.5730 0.1848 -0.0409 0.1157 549 HIS B CG 2405 N ND1 . HIS B 48 ? 0.9369 0.8359 0.5796 0.1860 -0.0291 0.1178 549 HIS B ND1 2406 C CD2 . HIS B 48 ? 0.9428 0.8797 0.5981 0.1929 -0.0562 0.1137 549 HIS B CD2 2407 C CE1 . HIS B 48 ? 0.9277 0.8510 0.6000 0.1951 -0.0358 0.1177 549 HIS B CE1 2408 N NE2 . HIS B 48 ? 0.9330 0.8806 0.6151 0.1991 -0.0524 0.1152 549 HIS B NE2 2409 N N . ASN B 49 ? 0.9272 0.7607 0.4782 0.1478 -0.0081 0.1117 550 ASN B N 2410 C CA . ASN B 49 ? 0.9299 0.7413 0.4555 0.1366 0.0025 0.1105 550 ASN B CA 2411 C C . ASN B 49 ? 0.9578 0.7572 0.4502 0.1432 -0.0034 0.1149 550 ASN B C 2412 O O . ASN B 49 ? 0.9770 0.7467 0.4384 0.1413 0.0076 0.1197 550 ASN B O 2413 C CB . ASN B 49 ? 0.9413 0.7226 0.4541 0.1335 0.0198 0.1149 550 ASN B CB 2414 C CG . ASN B 49 ? 0.9438 0.7100 0.4460 0.1169 0.0333 0.1101 550 ASN B CG 2415 O OD1 . ASN B 49 ? 0.9148 0.6982 0.4316 0.1051 0.0321 0.1014 550 ASN B OD1 2416 N ND2 . ASN B 49 ? 0.9775 0.7111 0.4552 0.1162 0.0469 0.1159 550 ASN B ND2 2417 N N . GLN B 50 ? 0.9542 0.7761 0.4526 0.1505 -0.0206 0.1130 551 GLN B N 2418 C CA . GLN B 50 ? 0.9888 0.8021 0.4555 0.1564 -0.0287 0.1156 551 GLN B CA 2419 C C . GLN B 50 ? 0.9739 0.7772 0.4266 0.1409 -0.0185 0.1094 551 GLN B C 2420 O O . GLN B 50 ? 0.9347 0.7555 0.4125 0.1275 -0.0160 0.0998 551 GLN B O 2421 C CB . GLN B 50 ? 0.9956 0.8402 0.4782 0.1643 -0.0503 0.1116 551 GLN B CB 2422 C CG . GLN B 50 ? 1.0499 0.8894 0.5007 0.1707 -0.0619 0.1126 551 GLN B CG 2423 C CD . GLN B 50 ? 1.1099 0.9192 0.5200 0.1867 -0.0616 0.1257 551 GLN B CD 2424 O OE1 . GLN B 50 ? 1.1482 0.9494 0.5604 0.1985 -0.0602 0.1344 551 GLN B OE1 2425 N NE2 . GLN B 50 ? 1.1448 0.9364 0.5165 0.1876 -0.0627 0.1273 551 GLN B NE2 2426 N N . ASP B 51 ? 1.0058 0.7797 0.4184 0.1431 -0.0113 0.1155 552 ASP B N 2427 C CA . ASP B 51 ? 1.0115 0.7714 0.4070 0.1292 0.0013 0.1108 552 ASP B CA 2428 C C . ASP B 51 ? 0.9845 0.7380 0.3969 0.1138 0.0194 0.1068 552 ASP B C 2429 O O . ASP B 51 ? 0.9784 0.7316 0.3914 0.1005 0.0282 0.0998 552 ASP B O 2430 C CB . ASP B 51 ? 1.0031 0.7863 0.4062 0.1233 -0.0096 0.1005 552 ASP B CB 2431 C CG . ASP B 51 ? 1.0386 0.8241 0.4181 0.1367 -0.0268 0.1034 552 ASP B CG 2432 O OD1 . ASP B 51 ? 1.0314 0.8444 0.4289 0.1358 -0.0419 0.0950 552 ASP B OD1 2433 O OD2 . ASP B 51 ? 1.0868 0.8464 0.4295 0.1480 -0.0257 0.1136 552 ASP B OD2 2434 N N . GLY B 52 ? 0.9766 0.7249 0.4023 0.1161 0.0249 0.1107 553 GLY B N 2435 C CA . GLY B 52 ? 0.9547 0.7004 0.3997 0.1023 0.0391 0.1059 553 GLY B CA 2436 C C . GLY B 52 ? 0.9152 0.6898 0.3942 0.0898 0.0361 0.0942 553 GLY B C 2437 O O . GLY B 52 ? 0.8983 0.6697 0.3874 0.0767 0.0478 0.0890 553 GLY B O 2438 N N . LEU B 53 ? 0.9018 0.7042 0.3991 0.0939 0.0204 0.0899 554 LEU B N 2439 C CA . LEU B 53 ? 0.8726 0.7007 0.3990 0.0826 0.0172 0.0790 554 LEU B CA 2440 C C . LEU B 53 ? 0.8331 0.6720 0.3903 0.0768 0.0212 0.0757 554 LEU B C 2441 O O . LEU B 53 ? 0.7993 0.6485 0.3740 0.0651 0.0251 0.0679 554 LEU B O 2442 C CB . LEU B 53 ? 0.8734 0.7265 0.4099 0.0879 -0.0001 0.0749 554 LEU B CB 2443 C CG . LEU B 53 ? 0.9202 0.7648 0.4255 0.0930 -0.0063 0.0763 554 LEU B CG 2444 C CD1 . LEU B 53 ? 0.9199 0.7903 0.4376 0.0994 -0.0256 0.0722 554 LEU B CD1 2445 C CD2 . LEU B 53 ? 0.9258 0.7597 0.4160 0.0813 0.0041 0.0708 554 LEU B CD2 2446 N N . ILE B 54 ? 0.8369 0.6724 0.3992 0.0854 0.0206 0.0816 555 ILE B N 2447 C CA . ILE B 54 ? 0.8163 0.6597 0.4041 0.0806 0.0249 0.0786 555 ILE B CA 2448 C C . ILE B 54 ? 0.8254 0.6494 0.4066 0.0696 0.0400 0.0770 555 ILE B C 2449 O O . ILE B 54 ? 0.8063 0.6405 0.4066 0.0589 0.0431 0.0699 555 ILE B O 2450 C CB . ILE B 54 ? 0.8170 0.6610 0.4117 0.0931 0.0214 0.0849 555 ILE B CB 2451 C CG1 . ILE B 54 ? 0.8163 0.6834 0.4228 0.1036 0.0058 0.0856 555 ILE B CG1 2452 C CG2 . ILE B 54 ? 0.7903 0.6395 0.4074 0.0877 0.0272 0.0815 555 ILE B CG2 2453 C CD1 . ILE B 54 ? 0.7899 0.6860 0.4240 0.0961 -0.0018 0.0767 555 ILE B CD1 2454 N N . CYS B 55 ? 0.8685 0.6647 0.4231 0.0721 0.0490 0.0834 556 CYS B N 2455 C CA . CYS B 55 ? 0.8879 0.6646 0.4360 0.0606 0.0639 0.0814 556 CYS B CA 2456 C C . CYS B 55 ? 0.8654 0.6488 0.4171 0.0476 0.0681 0.0738 556 CYS B C 2457 O O . CYS B 55 ? 0.8461 0.6306 0.4112 0.0359 0.0756 0.0677 556 CYS B O 2458 C CB . CYS B 55 ? 0.9457 0.6890 0.4630 0.0660 0.0737 0.0903 556 CYS B CB 2459 S SG . CYS B 55 ? 1.0014 0.7317 0.5171 0.0790 0.0737 0.0981 556 CYS B SG 2460 N N . GLY B 56 ? 0.8597 0.6482 0.4000 0.0499 0.0627 0.0736 557 GLY B N 2461 C CA . GLY B 56 ? 0.8405 0.6380 0.3861 0.0390 0.0658 0.0657 557 GLY B CA 2462 C C . GLY B 56 ? 0.7985 0.6230 0.3775 0.0323 0.0599 0.0569 557 GLY B C 2463 O O . GLY B 56 ? 0.7761 0.6045 0.3677 0.0210 0.0668 0.0503 557 GLY B O 2464 N N . LEU B 57 ? 0.7827 0.6256 0.3766 0.0395 0.0473 0.0571 558 LEU B N 2465 C CA . LEU B 57 ? 0.7581 0.6250 0.3819 0.0345 0.0415 0.0499 558 LEU B CA 2466 C C . LEU B 57 ? 0.7334 0.5991 0.3731 0.0279 0.0483 0.0476 558 LEU B C 2467 O O . LEU B 57 ? 0.7062 0.5839 0.3640 0.0195 0.0490 0.0407 558 LEU B O 2468 C CB . LEU B 57 ? 0.7654 0.6501 0.4012 0.0440 0.0281 0.0515 558 LEU B CB 2469 C CG . LEU B 57 ? 0.7537 0.6625 0.4190 0.0398 0.0219 0.0449 558 LEU B CG 2470 C CD1 . LEU B 57 ? 0.7556 0.6737 0.4247 0.0322 0.0204 0.0373 558 LEU B CD1 2471 C CD2 . LEU B 57 ? 0.7557 0.6798 0.4330 0.0492 0.0107 0.0473 558 LEU B CD2 2472 N N . ARG B 58 ? 0.7390 0.5892 0.3709 0.0319 0.0529 0.0531 559 ARG B N 2473 C CA . ARG B 58 ? 0.7258 0.5717 0.3686 0.0253 0.0594 0.0503 559 ARG B CA 2474 C C . ARG B 58 ? 0.7245 0.5636 0.3665 0.0130 0.0690 0.0449 559 ARG B C 2475 O O . ARG B 58 ? 0.7005 0.5498 0.3609 0.0051 0.0695 0.0384 559 ARG B O 2476 C CB . ARG B 58 ? 0.7394 0.5661 0.3703 0.0318 0.0639 0.0568 559 ARG B CB 2477 C CG . ARG B 58 ? 0.7348 0.5710 0.3725 0.0438 0.0554 0.0612 559 ARG B CG 2478 C CD . ARG B 58 ? 0.7527 0.5707 0.3819 0.0500 0.0609 0.0664 559 ARG B CD 2479 N NE . ARG B 58 ? 0.7486 0.5758 0.3836 0.0631 0.0533 0.0714 559 ARG B NE 2480 C CZ . ARG B 58 ? 0.7302 0.5771 0.3871 0.0650 0.0477 0.0689 559 ARG B CZ 2481 N NH1 . ARG B 58 ? 0.7329 0.5883 0.3959 0.0770 0.0419 0.0736 559 ARG B NH1 2482 N NH2 . ARG B 58 ? 0.7038 0.5621 0.3769 0.0553 0.0482 0.0620 559 ARG B NH2 2483 N N . GLN B 59 ? 0.7477 0.5699 0.3687 0.0117 0.0765 0.0476 560 GLN B N 2484 C CA . GLN B 59 ? 0.7529 0.5689 0.3736 0.0000 0.0870 0.0426 560 GLN B CA 2485 C C . GLN B 59 ? 0.7323 0.5692 0.3694 -0.0057 0.0834 0.0351 560 GLN B C 2486 O O . GLN B 59 ? 0.7249 0.5680 0.3776 -0.0155 0.0883 0.0283 560 GLN B O 2487 C CB . GLN B 59 ? 0.7888 0.5802 0.3809 0.0006 0.0971 0.0482 560 GLN B CB 2488 C CG . GLN B 59 ? 0.8029 0.5860 0.3946 -0.0119 0.1107 0.0434 560 GLN B CG 2489 C CD . GLN B 59 ? 0.8063 0.5847 0.4121 -0.0215 0.1178 0.0391 560 GLN B CD 2490 O OE1 . GLN B 59 ? 0.8092 0.5788 0.4135 -0.0180 0.1164 0.0420 560 GLN B OE1 2491 N NE2 . GLN B 59 ? 0.8016 0.5858 0.4214 -0.0336 0.1254 0.0315 560 GLN B NE2 2492 N N . LEU B 60 ? 0.7320 0.5798 0.3664 0.0004 0.0748 0.0357 561 LEU B N 2493 C CA . LEU B 60 ? 0.7162 0.5823 0.3651 -0.0042 0.0714 0.0284 561 LEU B CA 2494 C C . LEU B 60 ? 0.6895 0.5740 0.3672 -0.0083 0.0666 0.0227 561 LEU B C 2495 O O . LEU B 60 ? 0.6759 0.5693 0.3680 -0.0159 0.0697 0.0160 561 LEU B O 2496 C CB . LEU B 60 ? 0.7137 0.5879 0.3547 0.0032 0.0615 0.0295 561 LEU B CB 2497 C CG . LEU B 60 ? 0.6984 0.5907 0.3543 -0.0008 0.0571 0.0216 561 LEU B CG 2498 C CD1 . LEU B 60 ? 0.7060 0.5928 0.3579 -0.0093 0.0683 0.0166 561 LEU B CD1 2499 C CD2 . LEU B 60 ? 0.7075 0.6068 0.3550 0.0065 0.0462 0.0223 561 LEU B CD2 2500 N N . ALA B 61 ? 0.6868 0.5764 0.3723 -0.0025 0.0596 0.0256 562 ALA B N 2501 C CA . ALA B 61 ? 0.6725 0.5766 0.3814 -0.0052 0.0553 0.0214 562 ALA B CA 2502 C C . ALA B 61 ? 0.6777 0.5769 0.3937 -0.0137 0.0625 0.0175 562 ALA B C 2503 O O . ALA B 61 ? 0.6594 0.5708 0.3929 -0.0191 0.0613 0.0114 562 ALA B O 2504 C CB . ALA B 61 ? 0.6639 0.5706 0.3762 0.0027 0.0489 0.0261 562 ALA B CB 2505 N N . ASN B 62 ? 0.7166 0.5974 0.4190 -0.0147 0.0696 0.0207 563 ASN B N 2506 C CA . ASN B 62 ? 0.7454 0.6195 0.4529 -0.0240 0.0772 0.0164 563 ASN B CA 2507 C C . ASN B 62 ? 0.7453 0.6265 0.4619 -0.0327 0.0826 0.0099 563 ASN B C 2508 O O . ASN B 62 ? 0.7258 0.6186 0.4618 -0.0388 0.0815 0.0035 563 ASN B O 2509 C CB . ASN B 62 ? 0.7921 0.6418 0.4795 -0.0237 0.0857 0.0214 563 ASN B CB 2510 C CG . ASN B 62 ? 0.8300 0.6711 0.5220 -0.0348 0.0948 0.0162 563 ASN B CG 2511 O OD1 . ASN B 62 ? 0.8295 0.6653 0.5185 -0.0418 0.1038 0.0141 563 ASN B OD1 2512 N ND2 . ASN B 62 ? 0.8597 0.6992 0.5589 -0.0368 0.0928 0.0138 563 ASN B ND2 2513 N N . GLU B 63 ? 0.7664 0.6406 0.4688 -0.0326 0.0883 0.0117 564 GLU B N 2514 C CA . GLU B 63 ? 0.7748 0.6539 0.4840 -0.0405 0.0957 0.0057 564 GLU B CA 2515 C C . GLU B 63 ? 0.7391 0.6401 0.4680 -0.0407 0.0889 -0.0001 564 GLU B C 2516 O O . GLU B 63 ? 0.7364 0.6454 0.4794 -0.0475 0.0939 -0.0065 564 GLU B O 2517 C CB . GLU B 63 ? 0.8160 0.6799 0.5007 -0.0393 0.1040 0.0096 564 GLU B CB 2518 C CG . GLU B 63 ? 0.8605 0.6996 0.5254 -0.0413 0.1147 0.0148 564 GLU B CG 2519 C CD . GLU B 63 ? 0.9099 0.7316 0.5463 -0.0383 0.1223 0.0201 564 GLU B CD 2520 O OE1 . GLU B 63 ? 0.9254 0.7549 0.5577 -0.0360 0.1200 0.0184 564 GLU B OE1 2521 O OE2 . GLU B 63 ? 0.9501 0.7485 0.5664 -0.0382 0.1310 0.0260 564 GLU B OE2 2522 N N . THR B 64 ? 0.7163 0.6264 0.4466 -0.0331 0.0781 0.0019 565 THR B N 2523 C CA . THR B 64 ? 0.6849 0.6137 0.4332 -0.0326 0.0712 -0.0030 565 THR B CA 2524 C C . THR B 64 ? 0.6571 0.5979 0.4291 -0.0363 0.0681 -0.0077 565 THR B C 2525 O O . THR B 64 ? 0.6318 0.5860 0.4202 -0.0379 0.0659 -0.0130 565 THR B O 2526 C CB . THR B 64 ? 0.6766 0.6108 0.4211 -0.0242 0.0609 0.0006 565 THR B CB 2527 O OG1 . THR B 64 ? 0.6916 0.6166 0.4145 -0.0206 0.0622 0.0039 565 THR B OG1 2528 C CG2 . THR B 64 ? 0.6594 0.6106 0.4223 -0.0240 0.0542 -0.0043 565 THR B CG2 2529 N N . THR B 65 ? 0.6522 0.5872 0.4248 -0.0372 0.0679 -0.0060 566 THR B N 2530 C CA . THR B 65 ? 0.6410 0.5858 0.4315 -0.0385 0.0622 -0.0093 566 THR B CA 2531 C C . THR B 65 ? 0.6372 0.5936 0.4474 -0.0452 0.0642 -0.0169 566 THR B C 2532 O O . THR B 65 ? 0.6135 0.5830 0.4395 -0.0435 0.0575 -0.0198 566 THR B O 2533 C CB . THR B 65 ? 0.6496 0.5830 0.4332 -0.0389 0.0626 -0.0068 566 THR B CB 2534 O OG1 . THR B 65 ? 0.6594 0.5821 0.4258 -0.0318 0.0616 0.0003 566 THR B OG1 2535 C CG2 . THR B 65 ? 0.6311 0.5735 0.4286 -0.0383 0.0549 -0.0094 566 THR B CG2 2536 N N . GLN B 66 ? 0.6588 0.6100 0.4686 -0.0522 0.0738 -0.0199 567 GLN B N 2537 C CA . GLN B 66 ? 0.6648 0.6284 0.4961 -0.0587 0.0766 -0.0276 567 GLN B CA 2538 C C . GLN B 66 ? 0.6479 0.6255 0.4913 -0.0560 0.0743 -0.0309 567 GLN B C 2539 O O . GLN B 66 ? 0.6309 0.6225 0.4939 -0.0553 0.0683 -0.0350 567 GLN B O 2540 C CB . GLN B 66 ? 0.6963 0.6512 0.5247 -0.0672 0.0897 -0.0300 567 GLN B CB 2541 C CG . GLN B 66 ? 0.7043 0.6740 0.5579 -0.0740 0.0940 -0.0385 567 GLN B CG 2542 C CD . GLN B 66 ? 0.7337 0.6956 0.5887 -0.0841 0.1072 -0.0416 567 GLN B CD 2543 O OE1 . GLN B 66 ? 0.7662 0.7109 0.6053 -0.0868 0.1119 -0.0380 567 GLN B OE1 2544 N NE2 . GLN B 66 ? 0.7402 0.7144 0.6155 -0.0896 0.1140 -0.0484 567 GLN B NE2 2545 N N . ALA B 67 ? 0.6473 0.6198 0.4774 -0.0541 0.0789 -0.0291 568 ALA B N 2546 C CA . ALA B 67 ? 0.6307 0.6136 0.4693 -0.0517 0.0778 -0.0327 568 ALA B CA 2547 C C . ALA B 67 ? 0.6050 0.5964 0.4507 -0.0452 0.0660 -0.0313 568 ALA B C 2548 O O . ALA B 67 ? 0.5966 0.5995 0.4589 -0.0441 0.0632 -0.0356 568 ALA B O 2549 C CB . ALA B 67 ? 0.6423 0.6156 0.4607 -0.0507 0.0842 -0.0311 568 ALA B CB 2550 N N . LEU B 68 ? 0.5930 0.5780 0.4266 -0.0408 0.0600 -0.0253 569 LEU B N 2551 C CA . LEU B 68 ? 0.5755 0.5672 0.4158 -0.0353 0.0503 -0.0235 569 LEU B CA 2552 C C . LEU B 68 ? 0.5659 0.5659 0.4238 -0.0357 0.0455 -0.0258 569 LEU B C 2553 O O . LEU B 68 ? 0.5531 0.5617 0.4233 -0.0328 0.0407 -0.0275 569 LEU B O 2554 C CB . LEU B 68 ? 0.5719 0.5557 0.3974 -0.0306 0.0462 -0.0166 569 LEU B CB 2555 C CG . LEU B 68 ? 0.5560 0.5456 0.3878 -0.0253 0.0380 -0.0141 569 LEU B CG 2556 C CD1 . LEU B 68 ? 0.5482 0.5459 0.3880 -0.0241 0.0357 -0.0173 569 LEU B CD1 2557 C CD2 . LEU B 68 ? 0.5597 0.5423 0.3783 -0.0208 0.0357 -0.0077 569 LEU B CD2 2558 N N . GLN B 69 ? 0.5769 0.5732 0.4348 -0.0391 0.0468 -0.0260 570 GLN B N 2559 C CA . GLN B 69 ? 0.5782 0.5819 0.4506 -0.0395 0.0411 -0.0289 570 GLN B CA 2560 C C . GLN B 69 ? 0.5718 0.5889 0.4650 -0.0415 0.0418 -0.0355 570 GLN B C 2561 O O . GLN B 69 ? 0.5704 0.5961 0.4762 -0.0380 0.0348 -0.0368 570 GLN B O 2562 C CB . GLN B 69 ? 0.5919 0.5884 0.4597 -0.0440 0.0426 -0.0293 570 GLN B CB 2563 C CG . GLN B 69 ? 0.6033 0.5869 0.4530 -0.0406 0.0407 -0.0231 570 GLN B CG 2564 C CD . GLN B 69 ? 0.6024 0.5882 0.4538 -0.0353 0.0319 -0.0211 570 GLN B CD 2565 O OE1 . GLN B 69 ? 0.5972 0.5928 0.4600 -0.0323 0.0266 -0.0223 570 GLN B OE1 2566 N NE2 . GLN B 69 ? 0.6187 0.5935 0.4570 -0.0338 0.0311 -0.0177 570 GLN B NE2 2567 N N . LEU B 70 ? 0.5757 0.5938 0.4718 -0.0465 0.0508 -0.0393 571 LEU B N 2568 C CA . LEU B 70 ? 0.5671 0.5984 0.4841 -0.0478 0.0531 -0.0458 571 LEU B CA 2569 C C . LEU B 70 ? 0.5553 0.5913 0.4762 -0.0419 0.0502 -0.0458 571 LEU B C 2570 O O . LEU B 70 ? 0.5583 0.6053 0.4977 -0.0396 0.0473 -0.0497 571 LEU B O 2571 C CB . LEU B 70 ? 0.5751 0.6048 0.4930 -0.0547 0.0657 -0.0497 571 LEU B CB 2572 C CG . LEU B 70 ? 0.5853 0.6130 0.5068 -0.0621 0.0696 -0.0518 571 LEU B CG 2573 C CD1 . LEU B 70 ? 0.6012 0.6226 0.5180 -0.0690 0.0843 -0.0538 571 LEU B CD1 2574 C CD2 . LEU B 70 ? 0.5736 0.6173 0.5212 -0.0635 0.0632 -0.0577 571 LEU B CD2 2575 N N . PHE B 71 ? 0.5563 0.5838 0.4603 -0.0394 0.0507 -0.0419 572 PHE B N 2576 C CA . PHE B 71 ? 0.5520 0.5822 0.4586 -0.0345 0.0473 -0.0421 572 PHE B CA 2577 C C . PHE B 71 ? 0.5450 0.5787 0.4593 -0.0293 0.0376 -0.0393 572 PHE B C 2578 O O . PHE B 71 ? 0.5408 0.5804 0.4676 -0.0259 0.0351 -0.0416 572 PHE B O 2579 C CB . PHE B 71 ? 0.5649 0.5861 0.4521 -0.0335 0.0485 -0.0389 572 PHE B CB 2580 C CG . PHE B 71 ? 0.5670 0.5901 0.4566 -0.0294 0.0440 -0.0392 572 PHE B CG 2581 C CD1 . PHE B 71 ? 0.5799 0.6053 0.4739 -0.0296 0.0481 -0.0447 572 PHE B CD1 2582 C CD2 . PHE B 71 ? 0.5671 0.5891 0.4552 -0.0256 0.0366 -0.0345 572 PHE B CD2 2583 C CE1 . PHE B 71 ? 0.5773 0.6031 0.4739 -0.0266 0.0442 -0.0458 572 PHE B CE1 2584 C CE2 . PHE B 71 ? 0.5720 0.5952 0.4639 -0.0229 0.0333 -0.0352 572 PHE B CE2 2585 C CZ . PHE B 71 ? 0.5695 0.5943 0.4657 -0.0236 0.0367 -0.0410 572 PHE B CZ 2586 N N . LEU B 72 ? 0.5476 0.5761 0.4531 -0.0283 0.0330 -0.0344 573 LEU B N 2587 C CA . LEU B 72 ? 0.5439 0.5732 0.4528 -0.0233 0.0249 -0.0310 573 LEU B CA 2588 C C . LEU B 72 ? 0.5443 0.5820 0.4690 -0.0222 0.0205 -0.0343 573 LEU B C 2589 O O . LEU B 72 ? 0.5397 0.5795 0.4706 -0.0169 0.0149 -0.0330 573 LEU B O 2590 C CB . LEU B 72 ? 0.5462 0.5668 0.4403 -0.0223 0.0225 -0.0252 573 LEU B CB 2591 C CG . LEU B 72 ? 0.5501 0.5643 0.4308 -0.0213 0.0245 -0.0212 573 LEU B CG 2592 C CD1 . LEU B 72 ? 0.5584 0.5643 0.4261 -0.0201 0.0234 -0.0159 573 LEU B CD1 2593 C CD2 . LEU B 72 ? 0.5467 0.5632 0.4319 -0.0177 0.0219 -0.0202 573 LEU B CD2 2594 N N . ARG B 73 ? 0.5509 0.5931 0.4822 -0.0270 0.0229 -0.0386 574 ARG B N 2595 C CA . ARG B 73 ? 0.5571 0.6104 0.5069 -0.0262 0.0180 -0.0430 574 ARG B CA 2596 C C . ARG B 73 ? 0.5586 0.6210 0.5250 -0.0224 0.0186 -0.0464 574 ARG B C 2597 O O . ARG B 73 ? 0.5681 0.6370 0.5462 -0.0170 0.0114 -0.0470 574 ARG B O 2598 C CB . ARG B 73 ? 0.5667 0.6249 0.5240 -0.0336 0.0221 -0.0483 574 ARG B CB 2599 C CG . ARG B 73 ? 0.5701 0.6438 0.5514 -0.0336 0.0175 -0.0546 574 ARG B CG 2600 C CD . ARG B 73 ? 0.5813 0.6603 0.5725 -0.0427 0.0240 -0.0606 574 ARG B CD 2601 N NE . ARG B 73 ? 0.6001 0.6689 0.5767 -0.0475 0.0229 -0.0589 574 ARG B NE 2602 C CZ . ARG B 73 ? 0.6160 0.6840 0.5956 -0.0565 0.0292 -0.0630 574 ARG B CZ 2603 N NH1 . ARG B 73 ? 0.6167 0.6946 0.6146 -0.0622 0.0378 -0.0691 574 ARG B NH1 2604 N NH2 . ARG B 73 ? 0.6348 0.6909 0.5991 -0.0599 0.0279 -0.0612 574 ARG B NH2 2605 N N . ALA B 74 ? 0.5495 0.6111 0.5155 -0.0245 0.0272 -0.0487 575 ALA B N 2606 C CA . ALA B 74 ? 0.5439 0.6128 0.5252 -0.0215 0.0299 -0.0530 575 ALA B CA 2607 C C . ALA B 74 ? 0.5398 0.6031 0.5172 -0.0153 0.0266 -0.0499 575 ALA B C 2608 O O . ALA B 74 ? 0.5526 0.6205 0.5432 -0.0112 0.0272 -0.0529 575 ALA B O 2609 C CB . ALA B 74 ? 0.5482 0.6173 0.5292 -0.0269 0.0416 -0.0577 575 ALA B CB 2610 N N . THR B 75 ? 0.5435 0.5968 0.5041 -0.0147 0.0242 -0.0442 576 THR B N 2611 C CA . THR B 75 ? 0.5471 0.5948 0.5054 -0.0099 0.0217 -0.0414 576 THR B CA 2612 C C . THR B 75 ? 0.5539 0.6007 0.5157 -0.0038 0.0136 -0.0371 576 THR B C 2613 O O . THR B 75 ? 0.5461 0.5938 0.5048 -0.0036 0.0088 -0.0348 576 THR B O 2614 C CB . THR B 75 ? 0.5491 0.5879 0.4905 -0.0120 0.0230 -0.0377 576 THR B CB 2615 O OG1 . THR B 75 ? 0.5454 0.5802 0.4885 -0.0090 0.0221 -0.0370 576 THR B OG1 2616 C CG2 . THR B 75 ? 0.5508 0.5849 0.4807 -0.0118 0.0188 -0.0315 576 THR B CG2 2617 N N . THR B 76 ? 0.5709 0.6145 0.5375 0.0012 0.0125 -0.0362 577 THR B N 2618 C CA . THR B 76 ? 0.5881 0.6270 0.5542 0.0078 0.0060 -0.0309 577 THR B CA 2619 C C . THR B 76 ? 0.5932 0.6208 0.5466 0.0082 0.0064 -0.0249 577 THR B C 2620 O O . THR B 76 ? 0.6169 0.6381 0.5663 0.0132 0.0024 -0.0195 577 THR B O 2621 C CB . THR B 76 ? 0.6016 0.6424 0.5822 0.0143 0.0050 -0.0329 577 THR B CB 2622 O OG1 . THR B 76 ? 0.6072 0.6449 0.5909 0.0126 0.0118 -0.0367 577 THR B OG1 2623 C CG2 . THR B 76 ? 0.6035 0.6576 0.6000 0.0159 0.0026 -0.0380 577 THR B CG2 2624 N N . GLU B 77 ? 0.5921 0.6173 0.5392 0.0031 0.0111 -0.0258 578 GLU B N 2625 C CA . GLU B 77 ? 0.5906 0.6080 0.5282 0.0026 0.0113 -0.0206 578 GLU B CA 2626 C C . GLU B 77 ? 0.5744 0.5898 0.5012 0.0029 0.0084 -0.0154 578 GLU B C 2627 O O . GLU B 77 ? 0.5632 0.5826 0.4865 0.0002 0.0081 -0.0170 578 GLU B O 2628 C CB . GLU B 77 ? 0.6082 0.6259 0.5419 -0.0026 0.0152 -0.0233 578 GLU B CB 2629 C CG . GLU B 77 ? 0.6390 0.6549 0.5799 -0.0032 0.0181 -0.0281 578 GLU B CG 2630 C CD . GLU B 77 ? 0.6549 0.6702 0.5904 -0.0080 0.0198 -0.0302 578 GLU B CD 2631 O OE1 . GLU B 77 ? 0.6651 0.6761 0.6016 -0.0084 0.0195 -0.0279 578 GLU B OE1 2632 O OE2 . GLU B 77 ? 0.6654 0.6842 0.5956 -0.0113 0.0215 -0.0342 578 GLU B OE2 2633 N N . LEU B 78 ? 0.5735 0.5812 0.4946 0.0060 0.0074 -0.0094 579 LEU B N 2634 C CA . LEU B 78 ? 0.5757 0.5794 0.4849 0.0071 0.0055 -0.0044 579 LEU B CA 2635 C C . LEU B 78 ? 0.5629 0.5670 0.4656 0.0030 0.0087 -0.0035 579 LEU B C 2636 O O . LEU B 78 ? 0.5696 0.5733 0.4638 0.0019 0.0081 -0.0026 579 LEU B O 2637 C CB . LEU B 78 ? 0.5917 0.5855 0.4956 0.0124 0.0048 0.0019 579 LEU B CB 2638 C CG . LEU B 78 ? 0.6109 0.6020 0.5197 0.0183 0.0012 0.0024 579 LEU B CG 2639 C CD1 . LEU B 78 ? 0.6287 0.6067 0.5285 0.0234 0.0022 0.0099 579 LEU B CD1 2640 C CD2 . LEU B 78 ? 0.6184 0.6157 0.5278 0.0204 -0.0054 -0.0002 579 LEU B CD2 2641 N N . ARG B 79 ? 0.5472 0.5519 0.4540 0.0008 0.0117 -0.0042 580 ARG B N 2642 C CA . ARG B 79 ? 0.5457 0.5526 0.4482 -0.0022 0.0135 -0.0039 580 ARG B CA 2643 C C . ARG B 79 ? 0.5478 0.5600 0.4551 -0.0060 0.0145 -0.0098 580 ARG B C 2644 O O . ARG B 79 ? 0.5485 0.5605 0.4637 -0.0067 0.0153 -0.0124 580 ARG B O 2645 C CB . ARG B 79 ? 0.5511 0.5543 0.4538 -0.0011 0.0154 0.0010 580 ARG B CB 2646 C CG . ARG B 79 ? 0.5607 0.5561 0.4571 0.0032 0.0157 0.0068 580 ARG B CG 2647 C CD . ARG B 79 ? 0.5631 0.5554 0.4581 0.0038 0.0195 0.0119 580 ARG B CD 2648 N NE . ARG B 79 ? 0.5721 0.5545 0.4594 0.0081 0.0211 0.0176 580 ARG B NE 2649 C CZ . ARG B 79 ? 0.5734 0.5506 0.4586 0.0095 0.0262 0.0229 580 ARG B CZ 2650 N NH1 . ARG B 79 ? 0.5647 0.5479 0.4582 0.0068 0.0295 0.0229 580 ARG B NH1 2651 N NH2 . ARG B 79 ? 0.5944 0.5605 0.4689 0.0139 0.0279 0.0280 580 ARG B NH2 2652 N N . THR B 80 ? 0.5498 0.5648 0.4505 -0.0083 0.0149 -0.0118 581 THR B N 2653 C CA . THR B 80 ? 0.5472 0.5655 0.4479 -0.0116 0.0161 -0.0174 581 THR B CA 2654 C C . THR B 80 ? 0.5459 0.5659 0.4418 -0.0127 0.0150 -0.0167 581 THR B C 2655 O O . THR B 80 ? 0.5354 0.5546 0.4224 -0.0118 0.0145 -0.0131 581 THR B O 2656 C CB . THR B 80 ? 0.5541 0.5733 0.4493 -0.0134 0.0182 -0.0201 581 THR B CB 2657 O OG1 . THR B 80 ? 0.5484 0.5692 0.4523 -0.0125 0.0185 -0.0223 581 THR B OG1 2658 C CG2 . THR B 80 ? 0.5685 0.5889 0.4593 -0.0164 0.0206 -0.0253 581 THR B CG2 2659 N N . PHE B 81 ? 0.5494 0.5713 0.4515 -0.0145 0.0143 -0.0205 582 PHE B N 2660 C CA . PHE B 81 ? 0.5587 0.5843 0.4591 -0.0159 0.0115 -0.0215 582 PHE B CA 2661 C C . PHE B 81 ? 0.5664 0.5933 0.4613 -0.0187 0.0107 -0.0284 582 PHE B C 2662 O O . PHE B 81 ? 0.5746 0.6052 0.4673 -0.0197 0.0070 -0.0302 582 PHE B O 2663 C CB . PHE B 81 ? 0.5586 0.5855 0.4717 -0.0167 0.0109 -0.0210 582 PHE B CB 2664 C CG . PHE B 81 ? 0.5638 0.5891 0.4799 -0.0138 0.0122 -0.0138 582 PHE B CG 2665 C CD1 . PHE B 81 ? 0.5602 0.5897 0.4751 -0.0124 0.0109 -0.0098 582 PHE B CD1 2666 C CD2 . PHE B 81 ? 0.5653 0.5845 0.4842 -0.0117 0.0149 -0.0108 582 PHE B CD2 2667 C CE1 . PHE B 81 ? 0.5663 0.5933 0.4828 -0.0096 0.0135 -0.0034 582 PHE B CE1 2668 C CE2 . PHE B 81 ? 0.5690 0.5848 0.4871 -0.0088 0.0166 -0.0040 582 PHE B CE2 2669 C CZ . PHE B 81 ? 0.5652 0.5847 0.4821 -0.0080 0.0167 -0.0005 582 PHE B CZ 2670 N N . SER B 82 ? 0.5715 0.5956 0.4639 -0.0197 0.0142 -0.0325 583 SER B N 2671 C CA . SER B 82 ? 0.5835 0.6068 0.4716 -0.0223 0.0151 -0.0401 583 SER B CA 2672 C C . SER B 82 ? 0.5861 0.6070 0.4578 -0.0229 0.0175 -0.0415 583 SER B C 2673 O O . SER B 82 ? 0.5901 0.6086 0.4554 -0.0249 0.0197 -0.0479 583 SER B O 2674 C CB . SER B 82 ? 0.5920 0.6130 0.4907 -0.0227 0.0190 -0.0446 583 SER B CB 2675 O OG . SER B 82 ? 0.6023 0.6231 0.5027 -0.0209 0.0226 -0.0426 583 SER B OG 2676 N N . ILE B 83 ? 0.5779 0.5976 0.4414 -0.0213 0.0180 -0.0358 584 ILE B N 2677 C CA . ILE B 83 ? 0.5909 0.6058 0.4383 -0.0221 0.0222 -0.0363 584 ILE B CA 2678 C C . ILE B 83 ? 0.6089 0.6217 0.4402 -0.0221 0.0191 -0.0386 584 ILE B C 2679 O O . ILE B 83 ? 0.6114 0.6191 0.4305 -0.0237 0.0235 -0.0427 584 ILE B O 2680 C CB . ILE B 83 ? 0.5890 0.6009 0.4308 -0.0207 0.0238 -0.0296 584 ILE B CB 2681 C CG1 . ILE B 83 ? 0.5763 0.5898 0.4310 -0.0214 0.0271 -0.0294 584 ILE B CG1 2682 C CG2 . ILE B 83 ? 0.6038 0.6084 0.4265 -0.0215 0.0284 -0.0290 584 ILE B CG2 2683 C CD1 . ILE B 83 ? 0.5749 0.5858 0.4269 -0.0202 0.0269 -0.0233 584 ILE B CD1 2684 N N . LEU B 84 ? 0.6184 0.6352 0.4497 -0.0201 0.0117 -0.0361 585 LEU B N 2685 C CA . LEU B 84 ? 0.6417 0.6580 0.4582 -0.0193 0.0063 -0.0383 585 LEU B CA 2686 C C . LEU B 84 ? 0.6569 0.6741 0.4746 -0.0225 0.0047 -0.0475 585 LEU B C 2687 O O . LEU B 84 ? 0.6661 0.6786 0.4657 -0.0227 0.0038 -0.0515 585 LEU B O 2688 C CB . LEU B 84 ? 0.6399 0.6626 0.4594 -0.0158 -0.0017 -0.0334 585 LEU B CB 2689 C CG . LEU B 84 ? 0.6398 0.6590 0.4526 -0.0116 0.0000 -0.0247 585 LEU B CG 2690 C CD1 . LEU B 84 ? 0.6378 0.6649 0.4569 -0.0075 -0.0075 -0.0204 585 LEU B CD1 2691 C CD2 . LEU B 84 ? 0.6565 0.6649 0.4452 -0.0103 0.0037 -0.0229 585 LEU B CD2 2692 N N . ASN B 85 ? 0.6487 0.6700 0.4856 -0.0248 0.0046 -0.0509 586 ASN B N 2693 C CA . ASN B 85 ? 0.6730 0.6930 0.5120 -0.0282 0.0044 -0.0603 586 ASN B CA 2694 C C . ASN B 85 ? 0.6775 0.6896 0.5068 -0.0293 0.0131 -0.0650 586 ASN B C 2695 O O . ASN B 85 ? 0.6704 0.6780 0.4881 -0.0311 0.0134 -0.0724 586 ASN B O 2696 C CB . ASN B 85 ? 0.6830 0.7064 0.5445 -0.0302 0.0039 -0.0620 586 ASN B CB 2697 C CG . ASN B 85 ? 0.7120 0.7433 0.5836 -0.0309 -0.0041 -0.0609 586 ASN B CG 2698 O OD1 . ASN B 85 ? 0.7434 0.7793 0.6062 -0.0297 -0.0109 -0.0601 586 ASN B OD1 2699 N ND2 . ASN B 85 ? 0.7267 0.7596 0.6174 -0.0327 -0.0030 -0.0607 586 ASN B ND2 2700 N N . ARG B 86 ? 0.6722 0.6829 0.5065 -0.0284 0.0203 -0.0611 587 ARG B N 2701 C CA . ARG B 86 ? 0.6959 0.7013 0.5247 -0.0295 0.0298 -0.0652 587 ARG B CA 2702 C C . ARG B 86 ? 0.6911 0.6893 0.4943 -0.0294 0.0327 -0.0651 587 ARG B C 2703 O O . ARG B 86 ? 0.6825 0.6746 0.4750 -0.0309 0.0391 -0.0712 587 ARG B O 2704 C CB . ARG B 86 ? 0.7257 0.7337 0.5690 -0.0286 0.0354 -0.0613 587 ARG B CB 2705 C CG . ARG B 86 ? 0.7836 0.7898 0.6318 -0.0297 0.0449 -0.0671 587 ARG B CG 2706 C CD . ARG B 86 ? 0.8239 0.8341 0.6840 -0.0292 0.0496 -0.0634 587 ARG B CD 2707 N NE . ARG B 86 ? 0.8914 0.9001 0.7509 -0.0309 0.0603 -0.0683 587 ARG B NE 2708 C CZ . ARG B 86 ? 0.9238 0.9352 0.7887 -0.0322 0.0664 -0.0665 587 ARG B CZ 2709 N NH1 . ARG B 86 ? 0.9149 0.9293 0.7842 -0.0320 0.0626 -0.0602 587 ARG B NH1 2710 N NH2 . ARG B 86 ? 0.9379 0.9486 0.8041 -0.0341 0.0772 -0.0719 587 ARG B NH2 2711 N N . LYS B 87 ? 0.6775 0.6751 0.4698 -0.0273 0.0287 -0.0579 588 LYS B N 2712 C CA . LYS B 87 ? 0.6895 0.6784 0.4545 -0.0262 0.0300 -0.0566 588 LYS B CA 2713 C C . LYS B 87 ? 0.6804 0.6666 0.4300 -0.0262 0.0242 -0.0633 588 LYS B C 2714 O O . LYS B 87 ? 0.7051 0.6816 0.4330 -0.0267 0.0296 -0.0668 588 LYS B O 2715 C CB . LYS B 87 ? 0.7026 0.6913 0.4599 -0.0225 0.0248 -0.0474 588 LYS B CB 2716 C CG . LYS B 87 ? 0.7044 0.6926 0.4704 -0.0226 0.0305 -0.0409 588 LYS B CG 2717 C CD . LYS B 87 ? 0.7348 0.7128 0.4867 -0.0245 0.0418 -0.0402 588 LYS B CD 2718 C CE . LYS B 87 ? 0.7344 0.7119 0.4948 -0.0251 0.0459 -0.0342 588 LYS B CE 2719 N NZ . LYS B 87 ? 0.7531 0.7234 0.5082 -0.0290 0.0585 -0.0358 588 LYS B NZ 2720 N N . ALA B 88 ? 0.6453 0.6397 0.4058 -0.0261 0.0136 -0.0654 589 ALA B N 2721 C CA . ALA B 88 ? 0.6505 0.6442 0.3996 -0.0270 0.0060 -0.0731 589 ALA B CA 2722 C C . ALA B 88 ? 0.6529 0.6400 0.3989 -0.0305 0.0131 -0.0831 589 ALA B C 2723 O O . ALA B 88 ? 0.6753 0.6544 0.3981 -0.0307 0.0128 -0.0888 589 ALA B O 2724 C CB . ALA B 88 ? 0.6347 0.6401 0.4027 -0.0276 -0.0053 -0.0742 589 ALA B CB 2725 N N . ILE B 89 ? 0.6306 0.6200 0.3985 -0.0325 0.0198 -0.0850 590 ILE B N 2726 C CA . ILE B 89 ? 0.6398 0.6231 0.4082 -0.0349 0.0280 -0.0941 590 ILE B CA 2727 C C . ILE B 89 ? 0.6572 0.6307 0.4054 -0.0344 0.0396 -0.0948 590 ILE B C 2728 O O . ILE B 89 ? 0.6713 0.6361 0.4031 -0.0356 0.0439 -0.1028 590 ILE B O 2729 C CB . ILE B 89 ? 0.6165 0.6043 0.4136 -0.0356 0.0326 -0.0946 590 ILE B CB 2730 C CG1 . ILE B 89 ? 0.6096 0.6037 0.4239 -0.0369 0.0231 -0.0955 590 ILE B CG1 2731 C CG2 . ILE B 89 ? 0.6278 0.6087 0.4256 -0.0367 0.0427 -0.1034 590 ILE B CG2 2732 C CD1 . ILE B 89 ? 0.5871 0.5855 0.4274 -0.0361 0.0257 -0.0917 590 ILE B CD1 2733 N N . ASP B 90 ? 0.6558 0.6300 0.4051 -0.0331 0.0452 -0.0867 591 ASP B N 2734 C CA . ASP B 90 ? 0.6855 0.6504 0.4174 -0.0335 0.0576 -0.0862 591 ASP B CA 2735 C C . ASP B 90 ? 0.7130 0.6666 0.4092 -0.0321 0.0557 -0.0859 591 ASP B C 2736 O O . ASP B 90 ? 0.7310 0.6737 0.4077 -0.0329 0.0658 -0.0902 591 ASP B O 2737 C CB . ASP B 90 ? 0.6846 0.6530 0.4280 -0.0334 0.0635 -0.0780 591 ASP B CB 2738 C CG . ASP B 90 ? 0.6780 0.6550 0.4517 -0.0345 0.0690 -0.0799 591 ASP B CG 2739 O OD1 . ASP B 90 ? 0.6963 0.6744 0.4803 -0.0349 0.0714 -0.0874 591 ASP B OD1 2740 O OD2 . ASP B 90 ? 0.6888 0.6710 0.4758 -0.0346 0.0706 -0.0741 591 ASP B OD2 2741 N N . PHE B 91 ? 0.7136 0.6697 0.4013 -0.0294 0.0429 -0.0811 592 PHE B N 2742 C CA . PHE B 91 ? 0.7386 0.6850 0.3925 -0.0267 0.0373 -0.0813 592 PHE B CA 2743 C C . PHE B 91 ? 0.7503 0.6908 0.3908 -0.0286 0.0369 -0.0929 592 PHE B C 2744 O O . PHE B 91 ? 0.7724 0.6991 0.3829 -0.0280 0.0432 -0.0957 592 PHE B O 2745 C CB . PHE B 91 ? 0.7411 0.6956 0.3958 -0.0231 0.0212 -0.0759 592 PHE B CB 2746 C CG . PHE B 91 ? 0.7852 0.7309 0.4056 -0.0188 0.0135 -0.0748 592 PHE B CG 2747 C CD1 . PHE B 91 ? 0.8086 0.7532 0.4151 -0.0191 0.0045 -0.0840 592 PHE B CD1 2748 C CD2 . PHE B 91 ? 0.8035 0.7412 0.4046 -0.0140 0.0149 -0.0647 592 PHE B CD2 2749 C CE1 . PHE B 91 ? 0.8443 0.7809 0.4175 -0.0143 -0.0040 -0.0831 592 PHE B CE1 2750 C CE2 . PHE B 91 ? 0.8365 0.7649 0.4040 -0.0087 0.0073 -0.0629 592 PHE B CE2 2751 C CZ . PHE B 91 ? 0.8556 0.7841 0.4089 -0.0086 -0.0028 -0.0721 592 PHE B CZ 2752 N N . LEU B 92 ? 0.7259 0.6753 0.3878 -0.0311 0.0303 -0.0999 593 LEU B N 2753 C CA . LEU B 92 ? 0.7386 0.6821 0.3905 -0.0335 0.0292 -0.1121 593 LEU B CA 2754 C C . LEU B 92 ? 0.7508 0.6843 0.3987 -0.0353 0.0462 -0.1184 593 LEU B C 2755 O O . LEU B 92 ? 0.7782 0.6996 0.4002 -0.0357 0.0495 -0.1262 593 LEU B O 2756 C CB . LEU B 92 ? 0.7172 0.6718 0.3956 -0.0363 0.0190 -0.1177 593 LEU B CB 2757 C CG . LEU B 92 ? 0.7123 0.6767 0.3918 -0.0352 0.0014 -0.1154 593 LEU B CG 2758 C CD1 . LEU B 92 ? 0.6854 0.6621 0.3986 -0.0385 -0.0049 -0.1175 593 LEU B CD1 2759 C CD2 . LEU B 92 ? 0.7446 0.7023 0.3942 -0.0350 -0.0079 -0.1233 593 LEU B CD2 2760 N N . LEU B 93 ? 0.7369 0.6755 0.4101 -0.0361 0.0567 -0.1154 594 LEU B N 2761 C CA . LEU B 93 ? 0.7531 0.6850 0.4281 -0.0373 0.0734 -0.1212 594 LEU B CA 2762 C C . LEU B 93 ? 0.7838 0.7033 0.4307 -0.0367 0.0861 -0.1188 594 LEU B C 2763 O O . LEU B 93 ? 0.7885 0.6983 0.4240 -0.0375 0.0986 -0.1259 594 LEU B O 2764 C CB . LEU B 93 ? 0.7172 0.6599 0.4286 -0.0376 0.0797 -0.1183 594 LEU B CB 2765 C CG . LEU B 93 ? 0.6967 0.6477 0.4363 -0.0380 0.0728 -0.1219 594 LEU B CG 2766 C CD1 . LEU B 93 ? 0.6703 0.6313 0.4409 -0.0368 0.0781 -0.1167 594 LEU B CD1 2767 C CD2 . LEU B 93 ? 0.7102 0.6532 0.4466 -0.0392 0.0764 -0.1341 594 LEU B CD2 2768 N N . GLN B 94 ? 0.8072 0.7261 0.4436 -0.0351 0.0839 -0.1086 595 GLN B N 2769 C CA . GLN B 94 ? 0.8600 0.7648 0.4666 -0.0345 0.0953 -0.1048 595 GLN B CA 2770 C C . GLN B 94 ? 0.9010 0.7900 0.4680 -0.0332 0.0944 -0.1112 595 GLN B C 2771 O O . GLN B 94 ? 0.9293 0.8045 0.4753 -0.0339 0.1096 -0.1142 595 GLN B O 2772 C CB . GLN B 94 ? 0.8815 0.7873 0.4830 -0.0324 0.0899 -0.0925 595 GLN B CB 2773 C CG . GLN B 94 ? 0.9346 0.8241 0.5060 -0.0318 0.1022 -0.0867 595 GLN B CG 2774 C CD . GLN B 94 ? 0.9499 0.8401 0.5222 -0.0302 0.0992 -0.0746 595 GLN B CD 2775 O OE1 . GLN B 94 ? 0.9889 0.8670 0.5457 -0.0309 0.1117 -0.0690 595 GLN B OE1 2776 N NE2 . GLN B 94 ? 0.9431 0.8462 0.5332 -0.0280 0.0836 -0.0706 595 GLN B NE2 2777 N N . ARG B 95 ? 0.9085 0.7999 0.4663 -0.0315 0.0767 -0.1139 596 ARG B N 2778 C CA . ARG B 95 ? 0.9516 0.8292 0.4706 -0.0299 0.0714 -0.1205 596 ARG B CA 2779 C C . ARG B 95 ? 0.9580 0.8325 0.4780 -0.0327 0.0729 -0.1347 596 ARG B C 2780 O O . ARG B 95 ? 0.9854 0.8436 0.4734 -0.0324 0.0804 -0.1414 596 ARG B O 2781 C CB . ARG B 95 ? 0.9616 0.8448 0.4707 -0.0264 0.0499 -0.1167 596 ARG B CB 2782 C CG . ARG B 95 ? 0.9777 0.8575 0.4730 -0.0220 0.0491 -0.1032 596 ARG B CG 2783 C CD . ARG B 95 ? 0.9797 0.8708 0.4790 -0.0180 0.0283 -0.0981 596 ARG B CD 2784 N NE . ARG B 95 ? 0.9946 0.8807 0.4818 -0.0132 0.0294 -0.0849 596 ARG B NE 2785 C CZ . ARG B 95 ? 0.9872 0.8791 0.4975 -0.0140 0.0364 -0.0761 596 ARG B CZ 2786 N NH1 . ARG B 95 ? 0.9588 0.8629 0.5064 -0.0189 0.0421 -0.0786 596 ARG B NH1 2787 N NH2 . ARG B 95 ? 1.0040 0.8882 0.4989 -0.0094 0.0372 -0.0648 596 ARG B NH2 2788 N N . TRP B 96 ? 0.9272 0.8154 0.4819 -0.0352 0.0663 -0.1392 597 TRP B N 2789 C CA . TRP B 96 ? 0.9338 0.8190 0.4909 -0.0380 0.0643 -0.1529 597 TRP B CA 2790 C C . TRP B 96 ? 0.9190 0.8072 0.5067 -0.0401 0.0781 -0.1577 597 TRP B C 2791 O O . TRP B 96 ? 0.9172 0.8031 0.5122 -0.0422 0.0770 -0.1685 597 TRP B O 2792 C CB . TRP B 96 ? 0.9190 0.8153 0.4875 -0.0393 0.0432 -0.1555 597 TRP B CB 2793 C CG . TRP B 96 ? 0.9314 0.8278 0.4743 -0.0360 0.0286 -0.1500 597 TRP B CG 2794 C CD1 . TRP B 96 ? 0.9096 0.8182 0.4643 -0.0334 0.0184 -0.1389 597 TRP B CD1 2795 C CD2 . TRP B 96 ? 0.9706 0.8533 0.4704 -0.0339 0.0229 -0.1551 597 TRP B CD2 2796 N NE1 . TRP B 96 ? 0.9337 0.8381 0.4574 -0.0293 0.0064 -0.1365 597 TRP B NE1 2797 C CE2 . TRP B 96 ? 0.9714 0.8600 0.4602 -0.0295 0.0082 -0.1461 597 TRP B CE2 2798 C CE3 . TRP B 96 ? 1.0096 0.8750 0.4776 -0.0348 0.0287 -0.1664 597 TRP B CE3 2799 C CZ2 . TRP B 96 ? 1.0109 0.8891 0.4583 -0.0254 -0.0019 -0.1477 597 TRP B CZ2 2800 C CZ3 . TRP B 96 ? 1.0491 0.9032 0.4738 -0.0314 0.0188 -0.1684 597 TRP B CZ3 2801 C CH2 . TRP B 96 ? 1.0496 0.9105 0.4645 -0.0265 0.0030 -0.1589 597 TRP B CH2 2802 N N . GLY B 97 ? 0.9099 0.8026 0.5146 -0.0392 0.0909 -0.1501 598 GLY B N 2803 C CA . GLY B 97 ? 0.8998 0.7976 0.5355 -0.0398 0.1033 -0.1534 598 GLY B CA 2804 C C . GLY B 97 ? 0.9374 0.8220 0.5604 -0.0399 0.1203 -0.1634 598 GLY B C 2805 O O . GLY B 97 ? 0.9265 0.8146 0.5749 -0.0396 0.1289 -0.1683 598 GLY B O 2806 N N . GLY B 98 ? 0.9854 0.8544 0.5687 -0.0397 0.1256 -0.1662 599 GLY B N 2807 C CA . GLY B 98 ? 1.0329 0.8866 0.5980 -0.0396 0.1421 -0.1767 599 GLY B CA 2808 C C . GLY B 98 ? 1.0821 0.9192 0.6048 -0.0399 0.1349 -0.1852 599 GLY B C 2809 O O . GLY B 98 ? 1.0927 0.9324 0.6048 -0.0402 0.1156 -0.1841 599 GLY B O 2810 N N . THR B 99 ? 1.1309 0.9512 0.6295 -0.0396 0.1505 -0.1942 600 THR B N 2811 C CA . THR B 99 ? 1.1825 0.9837 0.6343 -0.0394 0.1457 -0.2029 600 THR B CA 2812 C C . THR B 99 ? 1.2056 1.0002 0.6216 -0.0374 0.1400 -0.1929 600 THR B C 2813 O O . THR B 99 ? 1.1959 0.9886 0.6088 -0.0363 0.1534 -0.1834 600 THR B O 2814 C CB . THR B 99 ? 1.2186 1.0015 0.6511 -0.0391 0.1670 -0.2141 600 THR B CB 2815 O OG1 . THR B 99 ? 1.2025 0.9907 0.6681 -0.0400 0.1712 -0.2234 600 THR B OG1 2816 C CG2 . THR B 99 ? 1.2712 1.0323 0.6501 -0.0387 0.1621 -0.2234 600 THR B CG2 2817 N N . CYS B 100 ? 1.2378 1.0291 0.6286 -0.0367 0.1198 -0.1952 601 CYS B N 2818 C CA . CYS B 100 ? 1.2806 1.0648 0.6356 -0.0333 0.1117 -0.1859 601 CYS B CA 2819 C C . CYS B 100 ? 1.3398 1.0975 0.6405 -0.0313 0.1224 -0.1923 601 CYS B C 2820 O O . CYS B 100 ? 1.3605 1.1084 0.6376 -0.0318 0.1141 -0.2047 601 CYS B O 2821 C CB . CYS B 100 ? 1.2887 1.0848 0.6458 -0.0327 0.0837 -0.1850 601 CYS B CB 2822 S SG . CYS B 100 ? 1.3145 1.1167 0.6621 -0.0277 0.0722 -0.1671 601 CYS B SG 2823 N N . HIS B 101 ? 1.3639 1.1094 0.6456 -0.0295 0.1417 -0.1842 602 HIS B N 2824 C CA . HIS B 101 ? 1.4265 1.1443 0.6534 -0.0272 0.1549 -0.1880 602 HIS B CA 2825 C C . HIS B 101 ? 1.4544 1.1617 0.6377 -0.0221 0.1401 -0.1793 602 HIS B C 2826 O O . HIS B 101 ? 1.4375 1.1470 0.6225 -0.0200 0.1421 -0.1650 602 HIS B O 2827 C CB . HIS B 101 ? 1.4338 1.1429 0.6632 -0.0282 0.1854 -0.1835 602 HIS B CB 2828 C CG . HIS B 101 ? 1.4174 1.1360 0.6874 -0.0317 0.2011 -0.1921 602 HIS B CG 2829 N ND1 . HIS B 101 ? 1.4484 1.1514 0.7016 -0.0321 0.2174 -0.2050 602 HIS B ND1 2830 C CD2 . HIS B 101 ? 1.3737 1.1153 0.6998 -0.0341 0.2028 -0.1897 602 HIS B CD2 2831 C CE1 . HIS B 101 ? 1.4208 1.1374 0.7196 -0.0342 0.2284 -0.2099 602 HIS B CE1 2832 N NE2 . HIS B 101 ? 1.3799 1.1200 0.7228 -0.0354 0.2192 -0.2006 602 HIS B NE2 2833 N N . ILE B 102 ? 1.4974 1.1927 0.6415 -0.0198 0.1251 -0.1883 603 ILE B N 2834 C CA . ILE B 102 ? 1.5421 1.2302 0.6466 -0.0138 0.1058 -0.1812 603 ILE B CA 2835 C C . ILE B 102 ? 1.5971 1.2599 0.6556 -0.0092 0.1239 -0.1705 603 ILE B C 2836 O O . ILE B 102 ? 1.6289 1.2723 0.6656 -0.0105 0.1478 -0.1751 603 ILE B O 2837 C CB . ILE B 102 ? 1.5769 1.2588 0.6503 -0.0127 0.0844 -0.1950 603 ILE B CB 2838 C CG1 . ILE B 102 ? 1.5367 1.2434 0.6575 -0.0181 0.0666 -0.2048 603 ILE B CG1 2839 C CG2 . ILE B 102 ? 1.6076 1.2829 0.6398 -0.0051 0.0637 -0.1873 603 ILE B CG2 2840 C CD1 . ILE B 102 ? 1.5696 1.2701 0.6665 -0.0196 0.0498 -0.2220 603 ILE B CD1 2841 N N . LEU B 103 ? 1.6169 1.2800 0.6628 -0.0038 0.1131 -0.1562 604 LEU B N 2842 C CA . LEU B 103 ? 1.6682 1.3092 0.6776 0.0005 0.1292 -0.1423 604 LEU B CA 2843 C C . LEU B 103 ? 1.6624 1.3084 0.7066 -0.0039 0.1536 -0.1327 604 LEU B C 2844 O O . LEU B 103 ? 1.7046 1.3335 0.7239 -0.0013 0.1671 -0.1205 604 LEU B O 2845 C CB . LEU B 103 ? 1.7366 1.3438 0.6816 0.0036 0.1425 -0.1473 604 LEU B CB 2846 C CG . LEU B 103 ? 1.7764 1.3728 0.6757 0.0085 0.1204 -0.1576 604 LEU B CG 2847 C CD1 . LEU B 103 ? 1.8440 1.4034 0.6769 0.0119 0.1386 -0.1597 604 LEU B CD1 2848 C CD2 . LEU B 103 ? 1.7724 1.3779 0.6624 0.0158 0.0902 -0.1490 604 LEU B CD2 2849 N N . GLY B 104 ? 1.6323 1.3010 0.7330 -0.0105 0.1589 -0.1379 605 GLY B N 2850 C CA . GLY B 104 ? 1.6095 1.2875 0.7486 -0.0149 0.1780 -0.1295 605 GLY B CA 2851 C C . GLY B 104 ? 1.5927 1.2851 0.7536 -0.0129 0.1638 -0.1159 605 GLY B C 2852 O O . GLY B 104 ? 1.5803 1.2836 0.7426 -0.0091 0.1381 -0.1152 605 GLY B O 2853 N N . PRO B 105 ? 1.5915 1.2847 0.7711 -0.0156 0.1808 -0.1057 606 PRO B N 2854 C CA . PRO B 105 ? 1.5689 1.2733 0.7680 -0.0139 0.1698 -0.0927 606 PRO B CA 2855 C C . PRO B 105 ? 1.5139 1.2497 0.7701 -0.0167 0.1547 -0.0949 606 PRO B C 2856 O O . PRO B 105 ? 1.4946 1.2406 0.7651 -0.0143 0.1418 -0.0856 606 PRO B O 2857 C CB . PRO B 105 ? 1.5759 1.2695 0.7778 -0.0178 0.1959 -0.0840 606 PRO B CB 2858 C CG . PRO B 105 ? 1.5741 1.2689 0.7926 -0.0240 0.2175 -0.0947 606 PRO B CG 2859 C CD . PRO B 105 ? 1.5995 1.2852 0.7880 -0.0213 0.2113 -0.1068 606 PRO B CD 2860 N N . ASP B 106 ? 1.4930 1.2425 0.7801 -0.0213 0.1573 -0.1067 607 ASP B N 2861 C CA . ASP B 106 ? 1.4414 1.2185 0.7804 -0.0239 0.1443 -0.1092 607 ASP B CA 2862 C C . ASP B 106 ? 1.4129 1.1992 0.7547 -0.0228 0.1234 -0.1196 607 ASP B C 2863 O O . ASP B 106 ? 1.3733 1.1804 0.7561 -0.0250 0.1132 -0.1222 607 ASP B O 2864 C CB . ASP B 106 ? 1.4309 1.2187 0.8103 -0.0298 0.1630 -0.1134 607 ASP B CB 2865 C CG . ASP B 106 ? 1.4383 1.2246 0.8288 -0.0324 0.1794 -0.1030 607 ASP B CG 2866 O OD1 . ASP B 106 ? 1.4293 1.2232 0.8317 -0.0313 0.1698 -0.0931 607 ASP B OD1 2867 O OD2 . ASP B 106 ? 1.4623 1.2399 0.8507 -0.0358 0.2025 -0.1053 607 ASP B OD2 2868 N N . CYS B 107 ? 1.4217 1.1920 0.7202 -0.0196 0.1169 -0.1256 608 CYS B N 2869 C CA . CYS B 107 ? 1.3989 1.1772 0.6972 -0.0190 0.0953 -0.1357 608 CYS B CA 2870 C C . CYS B 107 ? 1.4091 1.1880 0.6846 -0.0129 0.0725 -0.1291 608 CYS B C 2871 O O . CYS B 107 ? 1.4541 1.2134 0.6829 -0.0077 0.0730 -0.1246 608 CYS B O 2872 C CB . CYS B 107 ? 1.4219 1.1832 0.6893 -0.0201 0.1021 -0.1496 608 CYS B CB 2873 S SG . CYS B 107 ? 1.4087 1.1783 0.6784 -0.0216 0.0781 -0.1652 608 CYS B SG 2874 N N . CYS B 108 ? 1.3683 1.1694 0.6767 -0.0132 0.0529 -0.1286 609 CYS B N 2875 C CA . CYS B 108 ? 1.3739 1.1809 0.6702 -0.0072 0.0300 -0.1227 609 CYS B CA 2876 C C . CYS B 108 ? 1.3977 1.2067 0.6780 -0.0067 0.0100 -0.1353 609 CYS B C 2877 O O . CYS B 108 ? 1.3747 1.2034 0.6796 -0.0070 -0.0099 -0.1375 609 CYS B O 2878 C CB . CYS B 108 ? 1.3314 1.1620 0.6738 -0.0077 0.0211 -0.1146 609 CYS B CB 2879 S SG . CYS B 108 ? 1.3036 1.1346 0.6702 -0.0094 0.0422 -0.1017 609 CYS B SG 2880 N N . ILE B 109 ? 1.4421 1.2305 0.6811 -0.0064 0.0160 -0.1440 610 ILE B N 2881 C CA . ILE B 109 ? 1.4844 1.2703 0.6989 -0.0057 -0.0026 -0.1566 610 ILE B CA 2882 C C . ILE B 109 ? 1.5524 1.3167 0.7076 0.0029 -0.0071 -0.1511 610 ILE B C 2883 O O . ILE B 109 ? 1.5889 1.3297 0.7108 0.0046 0.0129 -0.1472 610 ILE B O 2884 C CB . ILE B 109 ? 1.4874 1.2648 0.7001 -0.0124 0.0075 -0.1733 610 ILE B CB 2885 C CG1 . ILE B 109 ? 1.4329 1.2310 0.7037 -0.0198 0.0100 -0.1783 610 ILE B CG1 2886 C CG2 . ILE B 109 ? 1.5220 1.2921 0.7004 -0.0116 -0.0108 -0.1869 610 ILE B CG2 2887 C CD1 . ILE B 109 ? 1.4398 1.2291 0.7145 -0.0257 0.0235 -0.1930 610 ILE B CD1 2888 N N . GLU B 110 ? 1.5801 1.3526 0.7233 0.0085 -0.0331 -0.1506 611 GLU B N 2889 C CA . GLU B 110 ? 1.6458 1.3990 0.7316 0.0182 -0.0422 -0.1456 611 GLU B CA 2890 C C . GLU B 110 ? 1.6975 1.4429 0.7501 0.0176 -0.0568 -0.1623 611 GLU B C 2891 O O . GLU B 110 ? 1.6702 1.4360 0.7446 0.0153 -0.0797 -0.1717 611 GLU B O 2892 C CB . GLU B 110 ? 1.6355 1.4039 0.7304 0.0264 -0.0626 -0.1332 611 GLU B CB 2893 C CG . GLU B 110 ? 1.6964 1.4460 0.7340 0.0386 -0.0740 -0.1257 611 GLU B CG 2894 C CD . GLU B 110 ? 1.7352 1.4512 0.7265 0.0421 -0.0492 -0.1166 611 GLU B CD 2895 O OE1 . GLU B 110 ? 1.7254 1.4373 0.7259 0.0443 -0.0353 -0.1016 611 GLU B OE1 2896 O OE2 . GLU B 110 ? 1.7706 1.4635 0.7165 0.0422 -0.0427 -0.1247 611 GLU B OE2 2897 N N . PRO B 111 ? 1.7724 1.4879 0.7726 0.0192 -0.0429 -0.1667 612 PRO B N 2898 C CA . PRO B 111 ? 1.8421 1.5460 0.8019 0.0198 -0.0568 -0.1822 612 PRO B CA 2899 C C . PRO B 111 ? 1.9329 1.6179 0.8300 0.0317 -0.0712 -0.1762 612 PRO B C 2900 O O . PRO B 111 ? 1.9950 1.6593 0.8429 0.0333 -0.0740 -0.1869 612 PRO B O 2901 C CB . PRO B 111 ? 1.8477 1.5297 0.7918 0.0136 -0.0290 -0.1913 612 PRO B CB 2902 C CG . PRO B 111 ? 1.8349 1.5037 0.7746 0.0161 -0.0025 -0.1751 612 PRO B CG 2903 C CD . PRO B 111 ? 1.7845 1.4768 0.7674 0.0181 -0.0106 -0.1604 612 PRO B CD 2904 N N . HIS B 112 ? 1.9710 1.6621 0.8684 0.0406 -0.0806 -0.1597 613 HIS B N 2905 C CA . HIS B 112 ? 2.0659 1.7383 0.9040 0.0537 -0.0943 -0.1516 613 HIS B CA 2906 C C . HIS B 112 ? 2.1171 1.7992 0.9376 0.0569 -0.1275 -0.1650 613 HIS B C 2907 O O . HIS B 112 ? 2.1784 1.8366 0.9380 0.0631 -0.1337 -0.1695 613 HIS B O 2908 C CB . HIS B 112 ? 2.0652 1.7439 0.9138 0.0629 -0.0979 -0.1310 613 HIS B CB 2909 C CG . HIS B 112 ? 2.1349 1.7998 0.9303 0.0777 -0.1175 -0.1227 613 HIS B CG 2910 N ND1 . HIS B 112 ? 2.1311 1.8200 0.9416 0.0853 -0.1491 -0.1211 613 HIS B ND1 2911 C CD2 . HIS B 112 ? 2.1973 1.8266 0.9242 0.0870 -0.1099 -0.1155 613 HIS B CD2 2912 C CE1 . HIS B 112 ? 2.1877 1.8569 0.9416 0.0993 -0.1613 -0.1131 613 HIS B CE1 2913 N NE2 . HIS B 112 ? 2.2288 1.8606 0.9296 0.1006 -0.1378 -0.1093 613 HIS B NE2 2914 N N . ASP B 113 ? 2.1010 1.8178 0.9745 0.0524 -0.1486 -0.1715 614 ASP B N 2915 C CA . ASP B 113 ? 2.1461 1.8771 1.0140 0.0525 -0.1801 -0.1870 614 ASP B CA 2916 C C . ASP B 113 ? 2.1855 1.9041 1.0376 0.0425 -0.1744 -0.2080 614 ASP B C 2917 O O . ASP B 113 ? 2.2312 1.9443 1.0479 0.0445 -0.1947 -0.2211 614 ASP B O 2918 C CB . ASP B 113 ? 2.1006 1.8725 1.0353 0.0486 -0.2003 -0.1885 614 ASP B CB 2919 C CG . ASP B 113 ? 2.1301 1.9203 1.0620 0.0501 -0.2356 -0.2023 614 ASP B CG 2920 O OD1 . ASP B 113 ? 2.1039 1.9257 1.0915 0.0424 -0.2489 -0.2102 614 ASP B OD1 2921 O OD2 . ASP B 113 ? 2.2035 1.9767 1.0784 0.0587 -0.2502 -0.2055 614 ASP B OD2 2922 N N . TRP B 114 ? 2.1845 1.8986 1.0626 0.0323 -0.1471 -0.2115 615 TRP B N 2923 C CA . TRP B 114 ? 2.2386 1.9364 1.1000 0.0236 -0.1359 -0.2300 615 TRP B CA 2924 C C . TRP B 114 ? 2.3260 1.9846 1.1108 0.0301 -0.1244 -0.2312 615 TRP B C 2925 O O . TRP B 114 ? 2.3464 1.9908 1.1012 0.0263 -0.1274 -0.2487 615 TRP B O 2926 C CB . TRP B 114 ? 2.2042 1.9072 1.1141 0.0129 -0.1088 -0.2317 615 TRP B CB 2927 C CG . TRP B 114 ? 2.2432 1.9318 1.1436 0.0041 -0.0974 -0.2512 615 TRP B CG 2928 C CD1 . TRP B 114 ? 2.2599 1.9273 1.1504 0.0007 -0.0661 -0.2529 615 TRP B CD1 2929 C CD2 . TRP B 114 ? 2.2706 1.9645 1.1701 -0.0021 -0.1170 -0.2721 615 TRP B CD2 2930 N NE1 . TRP B 114 ? 2.2838 1.9422 1.1669 -0.0065 -0.0647 -0.2733 615 TRP B NE1 2931 C CE2 . TRP B 114 ? 2.2893 1.9627 1.1768 -0.0088 -0.0956 -0.2856 615 TRP B CE2 2932 C CE3 . TRP B 114 ? 2.2823 1.9969 1.1918 -0.0030 -0.1505 -0.2813 615 TRP B CE3 2933 C CZ2 . TRP B 114 ? 2.3161 1.9869 1.1993 -0.0165 -0.1064 -0.3079 615 TRP B CZ2 2934 C CZ3 . TRP B 114 ? 2.3078 2.0211 1.2144 -0.0114 -0.1617 -0.3037 615 TRP B CZ3 2935 C CH2 . TRP B 114 ? 2.3231 2.0136 1.2156 -0.0181 -0.1397 -0.3168 615 TRP B CH2 2936 N N . THR B 115 ? 2.3796 2.0192 1.1319 0.0395 -0.1107 -0.2129 616 THR B N 2937 C CA . THR B 115 ? 2.4928 2.0940 1.1668 0.0476 -0.1025 -0.2115 616 THR B CA 2938 C C . THR B 115 ? 2.5722 2.1721 1.2028 0.0566 -0.1369 -0.2169 616 THR B C 2939 O O . THR B 115 ? 2.6208 2.1977 1.1977 0.0578 -0.1402 -0.2295 616 THR B O 2940 C CB . THR B 115 ? 2.5077 2.0874 1.1558 0.0558 -0.0799 -0.1895 616 THR B CB 2941 O OG1 . THR B 115 ? 2.5155 2.1079 1.1675 0.0661 -0.1002 -0.1740 616 THR B OG1 2942 C CG2 . THR B 115 ? 2.4511 2.0348 1.1446 0.0473 -0.0476 -0.1831 616 THR B CG2 2943 N N . LYS B 116 ? 2.5955 2.2206 1.2499 0.0632 -0.1625 -0.2079 617 LYS B N 2944 C CA . LYS B 116 ? 2.6729 2.3029 1.2944 0.0727 -0.1987 -0.2125 617 LYS B CA 2945 C C . LYS B 116 ? 2.7265 2.3697 1.3557 0.0639 -0.2206 -0.2377 617 LYS B C 2946 O O . LYS B 116 ? 2.7780 2.4149 1.3626 0.0705 -0.2459 -0.2460 617 LYS B O 2947 C CB . LYS B 116 ? 2.6378 2.2962 1.2938 0.0812 -0.2201 -0.1977 617 LYS B CB 2948 C CG . LYS B 116 ? 2.6785 2.3430 1.3011 0.0940 -0.2575 -0.1988 617 LYS B CG 2949 C CD . LYS B 116 ? 2.7581 2.3816 1.2919 0.1067 -0.2563 -0.1939 617 LYS B CD 2950 C CE . LYS B 116 ? 2.7954 2.4266 1.2985 0.1217 -0.2945 -0.1919 617 LYS B CE 2951 N NZ . LYS B 116 ? 2.7945 2.4532 1.3175 0.1156 -0.3274 -0.2144 617 LYS B NZ 2952 N N . ASN B 117 ? 2.7385 2.3992 1.4229 0.0493 -0.2112 -0.2498 618 ASN B N 2953 C CA . ASN B 117 ? 2.8010 2.4692 1.4924 0.0390 -0.2263 -0.2747 618 ASN B CA 2954 C C . ASN B 117 ? 2.8352 2.4655 1.4634 0.0376 -0.2122 -0.2879 618 ASN B C 2955 O O . ASN B 117 ? 2.8706 2.4965 1.4689 0.0362 -0.2334 -0.3059 618 ASN B O 2956 C CB . ASN B 117 ? 2.7967 2.4909 1.5641 0.0242 -0.2175 -0.2825 618 ASN B CB 2957 C CG . ASN B 117 ? 2.8760 2.5869 1.6634 0.0140 -0.2408 -0.3062 618 ASN B CG 2958 O OD1 . ASN B 117 ? 2.8739 2.5749 1.6665 0.0032 -0.2280 -0.3222 618 ASN B OD1 2959 N ND2 . ASN B 117 ? 2.9645 2.7011 1.7644 0.0175 -0.2751 -0.3086 618 ASN B ND2 2960 N N . ILE B 118 ? 2.8191 2.4227 1.4285 0.0376 -0.1765 -0.2795 619 ILE B N 2961 C CA . ILE B 118 ? 2.8663 2.4323 1.4185 0.0361 -0.1569 -0.2908 619 ILE B CA 2962 C C . ILE B 118 ? 2.9333 2.4638 1.4032 0.0500 -0.1534 -0.2801 619 ILE B C 2963 O O . ILE B 118 ? 2.9836 2.4841 1.3937 0.0511 -0.1496 -0.2922 619 ILE B O 2964 C CB . ILE B 118 ? 2.8233 2.3814 1.4061 0.0269 -0.1179 -0.2907 619 ILE B CB 2965 C CG1 . ILE B 118 ? 2.7533 2.3451 1.4165 0.0144 -0.1212 -0.2993 619 ILE B CG1 2966 C CG2 . ILE B 118 ? 2.8785 2.4004 1.4084 0.0244 -0.0978 -0.3051 619 ILE B CG2 2967 C CD1 . ILE B 118 ? 2.7610 2.3652 1.4340 0.0065 -0.1471 -0.3225 619 ILE B CD1 2968 N N . THR B 119 ? 2.9303 2.4623 1.3950 0.0609 -0.1547 -0.2577 620 THR B N 2969 C CA . THR B 119 ? 3.0003 2.4986 1.3869 0.0754 -0.1538 -0.2455 620 THR B CA 2970 C C . THR B 119 ? 3.0594 2.5616 1.4067 0.0850 -0.1950 -0.2522 620 THR B C 2971 O O . THR B 119 ? 3.1357 2.6053 1.4065 0.0954 -0.1982 -0.2507 620 THR B O 2972 C CB . THR B 119 ? 2.9716 2.4652 1.3635 0.0836 -0.1368 -0.2186 620 THR B CB 2973 O OG1 . THR B 119 ? 3.0426 2.4922 1.3588 0.0927 -0.1169 -0.2090 620 THR B OG1 2974 C CG2 . THR B 119 ? 2.9457 2.4653 1.3579 0.0936 -0.1678 -0.2060 620 THR B CG2 2975 N N . ASP B 120 ? 3.0332 2.5753 1.4334 0.0817 -0.2260 -0.2590 621 ASP B N 2976 C CA . ASP B 120 ? 3.0815 2.6343 1.4578 0.0867 -0.2670 -0.2722 621 ASP B CA 2977 C C . ASP B 120 ? 3.1250 2.6628 1.4735 0.0769 -0.2686 -0.2986 621 ASP B C 2978 O O . ASP B 120 ? 3.1983 2.7221 1.4894 0.0832 -0.2916 -0.3093 621 ASP B O 2979 C CB . ASP B 120 ? 3.0223 2.6245 1.4729 0.0834 -0.2955 -0.2734 621 ASP B CB 2980 C CG . ASP B 120 ? 3.0668 2.6856 1.5009 0.0886 -0.3397 -0.2865 621 ASP B CG 2981 O OD1 . ASP B 120 ? 3.1444 2.7387 1.5060 0.1012 -0.3535 -0.2855 621 ASP B OD1 2982 O OD2 . ASP B 120 ? 3.0204 2.6778 1.5157 0.0800 -0.3609 -0.2976 621 ASP B OD2 2983 N N . LYS B 121 ? 3.0856 2.6257 1.4743 0.0622 -0.2440 -0.3090 622 LYS B N 2984 C CA . LYS B 121 ? 3.1155 2.6380 1.4816 0.0520 -0.2383 -0.3336 622 LYS B CA 2985 C C . LYS B 121 ? 3.1837 2.6573 1.4765 0.0556 -0.2080 -0.3340 622 LYS B C 2986 O O . LYS B 121 ? 3.2069 2.6642 1.4843 0.0469 -0.1980 -0.3539 622 LYS B O 2987 C CB . LYS B 121 ? 3.0464 2.5926 1.4894 0.0351 -0.2261 -0.3452 622 LYS B CB 2988 C CG . LYS B 121 ? 3.0294 2.6040 1.5094 0.0249 -0.2573 -0.3671 622 LYS B CG 2989 C CD . LYS B 121 ? 3.0186 2.6246 1.5140 0.0319 -0.2971 -0.3625 622 LYS B CD 2990 C CE . LYS B 121 ? 2.9775 2.6205 1.5368 0.0187 -0.3208 -0.3803 622 LYS B CE 2991 N NZ . LYS B 121 ? 3.0068 2.6680 1.5518 0.0231 -0.3644 -0.3907 622 LYS B NZ 2992 N N . ILE B 122 ? 3.2188 2.6676 1.4655 0.0682 -0.1929 -0.3132 623 ILE B N 2993 C CA . ILE B 122 ? 3.2927 2.6929 1.4583 0.0734 -0.1690 -0.3143 623 ILE B CA 2994 C C . ILE B 122 ? 3.3713 2.7546 1.4678 0.0795 -0.1993 -0.3302 623 ILE B C 2995 O O . ILE B 122 ? 3.4310 2.7852 1.4811 0.0759 -0.1881 -0.3468 623 ILE B O 2996 C CB . ILE B 122 ? 3.3101 2.6844 1.4397 0.0850 -0.1435 -0.2878 623 ILE B CB 2997 C CG1 . ILE B 122 ? 3.3454 2.7163 1.4314 0.1018 -0.1720 -0.2728 623 ILE B CG1 2998 C CG2 . ILE B 122 ? 3.2325 2.6257 1.4327 0.0785 -0.1162 -0.2728 623 ILE B CG2 2999 C CD1 . ILE B 122 ? 3.3560 2.7019 1.4108 0.1128 -0.1477 -0.2461 623 ILE B CD1 3000 N N . ASP B 123 ? 3.3783 2.7819 1.4718 0.0886 -0.2382 -0.3261 624 ASP B N 3001 C CA . ASP B 123 ? 3.4548 2.8480 1.4866 0.0958 -0.2731 -0.3402 624 ASP B CA 3002 C C . ASP B 123 ? 3.4471 2.8635 1.5098 0.0826 -0.2987 -0.3693 624 ASP B C 3003 O O . ASP B 123 ? 3.4998 2.9084 1.5139 0.0864 -0.3281 -0.3845 624 ASP B O 3004 C CB . ASP B 123 ? 3.4640 2.8708 1.4818 0.1122 -0.3052 -0.3233 624 ASP B CB 3005 C CG . ASP B 123 ? 3.4974 2.8686 1.4563 0.1277 -0.2841 -0.2978 624 ASP B CG 3006 O OD1 . ASP B 123 ? 3.5582 2.8853 1.4344 0.1341 -0.2727 -0.3000 624 ASP B OD1 3007 O OD2 . ASP B 123 ? 3.4502 2.8361 1.4444 0.1334 -0.2786 -0.2756 624 ASP B OD2 3008 N N . GLN B 124 ? 3.3767 2.8201 1.5183 0.0670 -0.2877 -0.3772 625 GLN B N 3009 C CA . GLN B 124 ? 3.3663 2.8293 1.5413 0.0526 -0.3070 -0.4047 625 GLN B CA 3010 C C . GLN B 124 ? 3.4301 2.8549 1.5483 0.0468 -0.2930 -0.4266 625 GLN B C 3011 O O . GLN B 124 ? 3.4584 2.8892 1.5739 0.0388 -0.3166 -0.4512 625 GLN B O 3012 C CB . GLN B 124 ? 3.2738 2.7718 1.5460 0.0383 -0.2952 -0.4051 625 GLN B CB 3013 C CG . GLN B 124 ? 3.2480 2.7776 1.5702 0.0248 -0.3233 -0.4285 625 GLN B CG 3014 C CD . GLN B 124 ? 3.2405 2.8047 1.5799 0.0307 -0.3672 -0.4270 625 GLN B CD 3015 O OE1 . GLN B 124 ? 3.1961 2.7850 1.5733 0.0374 -0.3720 -0.4069 625 GLN B OE1 3016 N NE2 . GLN B 124 ? 3.2824 2.8488 1.5951 0.0282 -0.3997 -0.4490 625 GLN B NE2 3017 N N . ILE B 125 ? 3.4631 2.8494 1.5382 0.0503 -0.2543 -0.4184 626 ILE B N 3018 C CA . ILE B 125 ? 3.5370 2.8824 1.5497 0.0470 -0.2379 -0.4375 626 ILE B CA 3019 C C . ILE B 125 ? 3.6312 2.9284 1.5481 0.0612 -0.2204 -0.4267 626 ILE B C 3020 O O . ILE B 125 ? 3.7145 2.9794 1.5632 0.0623 -0.2228 -0.4438 626 ILE B O 3021 C CB . ILE B 125 ? 3.4834 2.8275 1.5450 0.0322 -0.2028 -0.4476 626 ILE B CB 3022 C CG1 . ILE B 125 ? 3.5305 2.8508 1.5562 0.0236 -0.2035 -0.4776 626 ILE B CG1 3023 C CG2 . ILE B 125 ? 3.4674 2.7897 1.5241 0.0360 -0.1567 -0.4282 626 ILE B CG2 3024 C CD1 . ILE B 125 ? 3.5111 2.8609 1.5748 0.0128 -0.2408 -0.5002 626 ILE B CD1 3025 N N . ILE B 126 ? 3.6281 2.9186 1.5377 0.0718 -0.2027 -0.3991 627 ILE B N 3026 C CA . ILE B 126 ? 3.7122 2.9557 1.5310 0.0855 -0.1848 -0.3867 627 ILE B CA 3027 C C . ILE B 126 ? 3.7830 3.0172 1.5338 0.1006 -0.2235 -0.3845 627 ILE B C 3028 O O . ILE B 126 ? 3.8611 3.0523 1.5227 0.1097 -0.2180 -0.3862 627 ILE B O 3029 C CB . ILE B 126 ? 3.6795 2.9152 1.5131 0.0904 -0.1481 -0.3584 627 ILE B CB 3030 C CG1 . ILE B 126 ? 3.7562 2.9380 1.5073 0.0972 -0.1126 -0.3529 627 ILE B CG1 3031 C CG2 . ILE B 126 ? 3.6532 2.9090 1.5001 0.1023 -0.1692 -0.3346 627 ILE B CG2 3032 C CD1 . ILE B 126 ? 3.7290 2.9007 1.4933 0.1004 -0.0742 -0.3271 627 ILE B CD1 3033 N N . HIS B 127 ? 3.7531 3.0273 1.5462 0.1037 -0.2618 -0.3804 628 HIS B N 3034 C CA . HIS B 127 ? 3.8110 3.0847 1.5513 0.1181 -0.3041 -0.3796 628 HIS B CA 3035 C C . HIS B 127 ? 3.8370 3.1159 1.5597 0.1111 -0.3368 -0.4107 628 HIS B C 3036 O O . HIS B 127 ? 3.9180 3.1718 1.5609 0.1215 -0.3581 -0.4176 628 HIS B O 3037 C CB . HIS B 127 ? 3.7634 3.0784 1.5587 0.1255 -0.3294 -0.3607 628 HIS B CB 3038 C CG . HIS B 127 ? 3.7834 3.1278 1.5818 0.1301 -0.3825 -0.3724 628 HIS B CG 3039 N ND1 . HIS B 127 ? 3.8641 3.1885 1.5831 0.1466 -0.4108 -0.3711 628 HIS B ND1 3040 C CD2 . HIS B 127 ? 3.7268 3.1201 1.5997 0.1205 -0.4123 -0.3852 628 HIS B CD2 3041 C CE1 . HIS B 127 ? 3.8562 3.2176 1.6023 0.1470 -0.4568 -0.3834 628 HIS B CE1 3042 N NE2 . HIS B 127 ? 3.7767 3.1803 1.6167 0.1308 -0.4579 -0.3922 628 HIS B NE2 3043 N N . ASP B 128 ? 3.7610 3.0711 1.5571 0.0935 -0.3402 -0.4293 629 ASP B N 3044 C CA . ASP B 128 ? 3.7703 3.0832 1.5573 0.0830 -0.3642 -0.4612 629 ASP B CA 3045 C C . ASP B 128 ? 3.7760 3.0483 1.5260 0.0743 -0.3278 -0.4767 629 ASP B C 3046 O O . ASP B 128 ? 3.7288 3.0123 1.5342 0.0583 -0.3115 -0.4907 629 ASP B O 3047 C CB . ASP B 128 ? 3.6955 3.0616 1.5814 0.0684 -0.3859 -0.4728 629 ASP B CB 3048 C CG . ASP B 128 ? 3.7352 3.1083 1.6168 0.0570 -0.4156 -0.5060 629 ASP B CG 3049 O OD1 . ASP B 128 ? 3.8194 3.1732 1.6281 0.0651 -0.4417 -0.5171 629 ASP B OD1 3050 O OD2 . ASP B 128 ? 3.6830 3.0805 1.6345 0.0399 -0.4130 -0.5210 629 ASP B OD2 3051 N N . PHE B 129 ? 3.8214 3.0454 1.4764 0.0857 -0.3144 -0.4731 630 PHE B N 3052 C CA . PHE B 129 ? 3.8379 3.0178 1.4433 0.0803 -0.2801 -0.4874 630 PHE B CA 3053 C C . PHE B 129 ? 3.9281 3.0759 1.4380 0.0874 -0.3055 -0.5054 630 PHE B C 3054 O O . PHE B 129 ? 4.0078 3.1099 1.4301 0.0993 -0.2894 -0.4980 630 PHE B O 3055 C CB . PHE B 129 ? 3.8250 2.9739 1.4074 0.0870 -0.2314 -0.4636 630 PHE B CB 3056 C CG . PHE B 129 ? 3.8322 2.9470 1.3951 0.0784 -0.1887 -0.4764 630 PHE B CG 3057 C CD1 . PHE B 129 ? 3.7492 2.8839 1.3917 0.0636 -0.1640 -0.4825 630 PHE B CD1 3058 C CD2 . PHE B 129 ? 3.9220 2.9840 1.3866 0.0860 -0.1724 -0.4817 630 PHE B CD2 3059 C CE1 . PHE B 129 ? 3.7638 2.8681 1.3906 0.0568 -0.1246 -0.4941 630 PHE B CE1 3060 C CE2 . PHE B 129 ? 3.9371 2.9681 1.3853 0.0786 -0.1318 -0.4937 630 PHE B CE2 3061 C CZ . PHE B 129 ? 3.8601 2.9130 1.3908 0.0642 -0.1080 -0.4999 630 PHE B CZ 3062 N N . VAL B 130 ? 3.9099 3.0820 1.4381 0.0796 -0.3455 -0.5295 631 VAL B N 3063 C CA . VAL B 130 ? 3.9880 3.1398 1.4350 0.0864 -0.3806 -0.5474 631 VAL B CA 3064 C C . VAL B 130 ? 4.0470 3.1524 1.4314 0.0800 -0.3578 -0.5707 631 VAL B C 3065 O O . VAL B 130 ? 4.0226 3.1361 1.4424 0.0636 -0.3577 -0.5961 631 VAL B O 3066 C CB . VAL B 130 ? 3.9594 3.1577 1.4546 0.0793 -0.4331 -0.5659 631 VAL B CB 3067 C CG1 . VAL B 130 ? 4.0536 3.2317 1.4644 0.0862 -0.4712 -0.5858 631 VAL B CG1 3068 C CG2 . VAL B 130 ? 3.8898 3.1341 1.4469 0.0865 -0.4550 -0.5428 631 VAL B CG2 # 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 GLU 1 28 ? ? ? A . n A 1 2 THR 2 29 ? ? ? A . n A 1 3 GLY 3 30 ? ? ? A . n A 1 4 ARG 4 31 ? ? ? A . n A 1 5 SER 5 32 32 SER SER A . n A 1 6 ILE 6 33 33 ILE ILE A . n A 1 7 PRO 7 34 34 PRO PRO A . n A 1 8 LEU 8 35 35 LEU LEU A . n A 1 9 GLY 9 36 36 GLY GLY A . n A 1 10 VAL 10 37 37 VAL VAL A . n A 1 11 ILE 11 38 38 ILE ILE A . n A 1 12 HIS 12 39 39 HIS HIS A . n A 1 13 ASN 13 40 40 ASN ASN A . n A 1 14 SER 14 41 41 SER SER A . n A 1 15 ALA 15 42 42 ALA ALA A . n A 1 16 LEU 16 43 43 LEU LEU A . n A 1 17 GLN 17 44 44 GLN GLN A . n A 1 18 VAL 18 45 45 VAL VAL A . n A 1 19 SER 19 46 46 SER SER A . n A 1 20 ASP 20 47 47 ASP ASP A . n A 1 21 VAL 21 48 48 VAL VAL A . n A 1 22 ASP 22 49 49 ASP ASP A . n A 1 23 LYS 23 50 50 LYS LYS A . n A 1 24 LEU 24 51 51 LEU LEU A . n A 1 25 VAL 25 52 52 VAL VAL A . n A 1 26 CYS 26 53 53 CYS CYS A . n A 1 27 ARG 27 54 54 ARG ARG A . n A 1 28 ASP 28 55 55 ASP ASP A . n A 1 29 LYS 29 56 56 LYS LYS A . n A 1 30 LEU 30 57 57 LEU LEU A . n A 1 31 SER 31 58 58 SER SER A . n A 1 32 SER 32 59 59 SER SER A . n A 1 33 THR 33 60 60 THR THR A . n A 1 34 ASN 34 61 61 ASN ASN A . n A 1 35 GLN 35 62 62 GLN GLN A . n A 1 36 LEU 36 63 63 LEU LEU A . n A 1 37 ARG 37 64 64 ARG ARG A . n A 1 38 SER 38 65 65 SER SER A . n A 1 39 VAL 39 66 66 VAL VAL A . n A 1 40 GLY 40 67 67 GLY GLY A . n A 1 41 LEU 41 68 68 LEU LEU A . n A 1 42 ASN 42 69 69 ASN ASN A . n A 1 43 LEU 43 70 70 LEU LEU A . n A 1 44 GLU 44 71 71 GLU GLU A . n A 1 45 GLY 45 72 72 GLY GLY A . n A 1 46 ASN 46 73 73 ASN ASN A . n A 1 47 GLY 47 74 74 GLY GLY A . n A 1 48 VAL 48 75 75 VAL VAL A . n A 1 49 ALA 49 76 76 ALA ALA A . n A 1 50 THR 50 77 77 THR THR A . n A 1 51 ASP 51 78 78 ASP ASP A . n A 1 52 VAL 52 79 79 VAL VAL A . n A 1 53 PRO 53 80 80 PRO PRO A . n A 1 54 SER 54 81 81 SER SER A . n A 1 55 ALA 55 82 82 ALA ALA A . n A 1 56 THR 56 83 83 THR THR A . n A 1 57 LYS 57 84 84 LYS LYS A . n A 1 58 ARG 58 85 85 ARG ARG A . n A 1 59 TRP 59 86 86 TRP TRP A . n A 1 60 GLY 60 87 87 GLY GLY A . n A 1 61 PHE 61 88 88 PHE PHE A . n A 1 62 ARG 62 89 89 ARG ARG A . n A 1 63 SER 63 90 90 SER SER A . n A 1 64 GLY 64 91 91 GLY GLY A . n A 1 65 VAL 65 92 92 VAL VAL A . n A 1 66 PRO 66 93 93 PRO PRO A . n A 1 67 PRO 67 94 94 PRO PRO A . n A 1 68 LYS 68 95 95 LYS LYS A . n A 1 69 VAL 69 96 96 VAL VAL A . n A 1 70 VAL 70 97 97 VAL VAL A . n A 1 71 ASN 71 98 98 ASN ASN A . n A 1 72 TYR 72 99 99 TYR TYR A . n A 1 73 GLU 73 100 100 GLU GLU A . n A 1 74 ALA 74 101 101 ALA ALA A . n A 1 75 GLY 75 102 102 GLY GLY A . n A 1 76 GLU 76 103 103 GLU GLU A . n A 1 77 TRP 77 104 104 TRP TRP A . n A 1 78 ALA 78 105 105 ALA ALA A . n A 1 79 GLU 79 106 106 GLU GLU A . n A 1 80 ASN 80 107 107 ASN ASN A . n A 1 81 CYS 81 108 108 CYS CYS A . n A 1 82 TYR 82 109 109 TYR TYR A . n A 1 83 ASN 83 110 110 ASN ASN A . n A 1 84 LEU 84 111 111 LEU LEU A . n A 1 85 GLU 85 112 112 GLU GLU A . n A 1 86 ILE 86 113 113 ILE ILE A . n A 1 87 LYS 87 114 114 LYS LYS A . n A 1 88 LYS 88 115 115 LYS LYS A . n A 1 89 PRO 89 116 116 PRO PRO A . n A 1 90 ASP 90 117 117 ASP ASP A . n A 1 91 GLY 91 118 118 GLY GLY A . n A 1 92 SER 92 119 119 SER SER A . n A 1 93 GLU 93 120 120 GLU GLU A . n A 1 94 CYS 94 121 121 CYS CYS A . n A 1 95 LEU 95 122 122 LEU LEU A . n A 1 96 PRO 96 123 123 PRO PRO A . n A 1 97 ALA 97 124 124 ALA ALA A . n A 1 98 ALA 98 125 125 ALA ALA A . n A 1 99 PRO 99 126 126 PRO PRO A . n A 1 100 ASP 100 127 127 ASP ASP A . n A 1 101 GLY 101 128 128 GLY GLY A . n A 1 102 ILE 102 129 129 ILE ILE A . n A 1 103 ARG 103 130 130 ARG ARG A . n A 1 104 GLY 104 131 131 GLY GLY A . n A 1 105 PHE 105 132 132 PHE PHE A . n A 1 106 PRO 106 133 133 PRO PRO A . n A 1 107 ARG 107 134 134 ARG ARG A . n A 1 108 CYS 108 135 135 CYS CYS A . n A 1 109 ARG 109 136 136 ARG ARG A . n A 1 110 TYR 110 137 137 TYR TYR A . n A 1 111 VAL 111 138 138 VAL VAL A . n A 1 112 HIS 112 139 139 HIS HIS A . n A 1 113 LYS 113 140 140 LYS LYS A . n A 1 114 VAL 114 141 141 VAL VAL A . n A 1 115 SER 115 142 142 SER SER A . n A 1 116 GLY 116 143 143 GLY GLY A . n A 1 117 THR 117 144 144 THR THR A . n A 1 118 GLY 118 145 145 GLY GLY A . n A 1 119 PRO 119 146 146 PRO PRO A . n A 1 120 CYS 120 147 147 CYS CYS A . n A 1 121 ALA 121 148 148 ALA ALA A . n A 1 122 GLY 122 149 149 GLY GLY A . n A 1 123 ASP 123 150 150 ASP ASP A . n A 1 124 PHE 124 151 151 PHE PHE A . n A 1 125 ALA 125 152 152 ALA ALA A . n A 1 126 PHE 126 153 153 PHE PHE A . n A 1 127 HIS 127 154 154 HIS HIS A . n A 1 128 LYS 128 155 155 LYS LYS A . n A 1 129 GLU 129 156 156 GLU GLU A . n A 1 130 GLY 130 157 157 GLY GLY A . n A 1 131 ALA 131 158 158 ALA ALA A . n A 1 132 PHE 132 159 159 PHE PHE A . n A 1 133 PHE 133 160 160 PHE PHE A . n A 1 134 LEU 134 161 161 LEU LEU A . n A 1 135 TYR 135 162 162 TYR TYR A . n A 1 136 ASP 136 163 163 ASP ASP A . n A 1 137 ARG 137 164 164 ARG ARG A . n A 1 138 LEU 138 165 165 LEU LEU A . n A 1 139 ALA 139 166 166 ALA ALA A . n A 1 140 SER 140 167 167 SER SER A . n A 1 141 THR 141 168 168 THR THR A . n A 1 142 VAL 142 169 169 VAL VAL A . n A 1 143 ILE 143 170 170 ILE ILE A . n A 1 144 TYR 144 171 171 TYR TYR A . n A 1 145 ARG 145 172 172 ARG ARG A . n A 1 146 GLY 146 173 173 GLY GLY A . n A 1 147 THR 147 174 174 THR THR A . n A 1 148 THR 148 175 175 THR THR A . n A 1 149 PHE 149 176 176 PHE PHE A . n A 1 150 ALA 150 177 177 ALA ALA A . n A 1 151 GLU 151 178 178 GLU GLU A . n A 1 152 GLY 152 179 179 GLY GLY A . n A 1 153 VAL 153 180 180 VAL VAL A . n A 1 154 VAL 154 181 181 VAL VAL A . n A 1 155 ALA 155 182 182 ALA ALA A . n A 1 156 PHE 156 183 183 PHE PHE A . n A 1 157 LEU 157 184 184 LEU LEU A . n A 1 158 ILE 158 185 185 ILE ILE A . n A 1 159 LEU 159 186 186 LEU LEU A . n A 1 160 PRO 160 187 187 PRO PRO A . n A 1 161 GLN 161 188 188 GLN GLN A . n A 1 162 ALA 162 189 189 ALA ALA A . n A 1 163 LYS 163 190 190 LYS LYS A . n A 1 164 LYS 164 191 191 LYS LYS A . n A 1 165 ASP 165 192 192 ASP ASP A . n A 1 166 PHE 166 193 193 PHE PHE A . n A 1 167 PHE 167 194 194 PHE PHE A . n A 1 168 SER 168 195 195 SER SER A . n A 1 169 SER 169 196 ? ? ? A . n A 1 170 HIS 170 197 ? ? ? A . n A 1 171 PRO 171 198 ? ? ? A . n A 1 172 LEU 172 199 ? ? ? A . n A 1 173 ARG 173 200 ? ? ? A . n A 1 174 GLU 174 201 ? ? ? A . n A 1 175 PRO 175 202 ? ? ? A . n A 1 176 VAL 176 203 ? ? ? A . n A 1 177 ASN 177 204 ? ? ? A . n A 1 178 ALA 178 205 ? ? ? A . n A 1 179 THR 179 206 ? ? ? A . n A 1 180 GLU 180 207 ? ? ? A . n A 1 181 ASP 181 208 ? ? ? A . n A 1 182 PRO 182 209 ? ? ? A . n A 1 183 SER 183 210 ? ? ? A . n A 1 184 SER 184 211 211 SER SER A . n A 1 185 GLY 185 212 212 GLY GLY A . n A 1 186 TYR 186 213 213 TYR TYR A . n A 1 187 TYR 187 214 214 TYR TYR A . n A 1 188 SER 188 215 215 SER SER A . n A 1 189 THR 189 216 216 THR THR A . n A 1 190 THR 190 217 217 THR THR A . n A 1 191 ILE 191 218 218 ILE ILE A . n A 1 192 ARG 192 219 219 ARG ARG A . n A 1 193 TYR 193 220 220 TYR TYR A . n A 1 194 GLN 194 221 221 GLN GLN A . n A 1 195 ALA 195 222 222 ALA ALA A . n A 1 196 THR 196 223 223 THR THR A . n A 1 197 GLY 197 224 224 GLY GLY A . n A 1 198 PHE 198 225 225 PHE PHE A . n A 1 199 GLY 199 226 226 GLY GLY A . n A 1 200 THR 200 227 227 THR THR A . n A 1 201 ASN 201 228 228 ASN ASN A . n A 1 202 GLU 202 229 229 GLU GLU A . n A 1 203 THR 203 230 230 THR THR A . n A 1 204 GLU 204 231 231 GLU GLU A . n A 1 205 TYR 205 232 232 TYR TYR A . n A 1 206 LEU 206 233 233 LEU LEU A . n A 1 207 PHE 207 234 234 PHE PHE A . n A 1 208 GLU 208 235 235 GLU GLU A . n A 1 209 VAL 209 236 236 VAL VAL A . n A 1 210 ASP 210 237 237 ASP ASP A . n A 1 211 ASN 211 238 238 ASN ASN A . n A 1 212 LEU 212 239 239 LEU LEU A . n A 1 213 THR 213 240 240 THR THR A . n A 1 214 TYR 214 241 241 TYR TYR A . n A 1 215 VAL 215 242 242 VAL VAL A . n A 1 216 GLN 216 243 243 GLN GLN A . n A 1 217 LEU 217 244 244 LEU LEU A . n A 1 218 GLU 218 245 245 GLU GLU A . n A 1 219 SER 219 246 246 SER SER A . n A 1 220 ARG 220 247 247 ARG ARG A . n A 1 221 PHE 221 248 248 PHE PHE A . n A 1 222 THR 222 249 249 THR THR A . n A 1 223 PRO 223 250 250 PRO PRO A . n A 1 224 GLN 224 251 251 GLN GLN A . n A 1 225 PHE 225 252 252 PHE PHE A . n A 1 226 LEU 226 253 253 LEU LEU A . n A 1 227 LEU 227 254 254 LEU LEU A . n A 1 228 GLN 228 255 255 GLN GLN A . n A 1 229 LEU 229 256 256 LEU LEU A . n A 1 230 ASN 230 257 257 ASN ASN A . n A 1 231 GLU 231 258 258 GLU GLU A . n A 1 232 THR 232 259 259 THR THR A . n A 1 233 ILE 233 260 260 ILE ILE A . n A 1 234 TYR 234 261 261 TYR TYR A . n A 1 235 THR 235 262 262 THR THR A . n A 1 236 SER 236 263 263 SER SER A . n A 1 237 GLY 237 264 264 GLY GLY A . n A 1 238 LYS 238 265 265 LYS LYS A . n A 1 239 ARG 239 266 266 ARG ARG A . n A 1 240 SER 240 267 267 SER SER A . n A 1 241 ASN 241 268 268 ASN ASN A . n A 1 242 THR 242 269 269 THR THR A . n A 1 243 THR 243 270 270 THR THR A . n A 1 244 GLY 244 271 271 GLY GLY A . n A 1 245 LYS 245 272 272 LYS LYS A . n A 1 246 LEU 246 273 273 LEU LEU A . n A 1 247 ILE 247 274 274 ILE ILE A . n A 1 248 TRP 248 275 275 TRP TRP A . n A 1 249 LYS 249 276 276 LYS LYS A . n A 1 250 VAL 250 277 277 VAL VAL A . n A 1 251 ASN 251 278 278 ASN ASN A . n A 1 252 PRO 252 279 279 PRO PRO A . n A 1 253 GLU 253 280 280 GLU GLU A . n A 1 254 ILE 254 281 281 ILE ILE A . n A 1 255 ASP 255 282 282 ASP ASP A . n A 1 256 THR 256 283 283 THR THR A . n A 1 257 THR 257 284 284 THR THR A . n A 1 258 ILE 258 285 ? ? ? A . n A 1 259 GLY 259 286 ? ? ? A . n A 1 260 GLU 260 287 287 GLU GLU A . n A 1 261 TRP 261 288 288 TRP TRP A . n A 1 262 ALA 262 289 289 ALA ALA A . n A 1 263 PHE 263 290 290 PHE PHE A . n A 1 264 TRP 264 291 291 TRP TRP A . n A 1 265 GLU 265 292 292 GLU GLU A . n A 1 266 THR 266 293 293 THR THR A . n A 1 267 LYS 267 293 ? ? ? A A n A 1 268 LYS 268 293 ? ? ? A B n A 1 269 ASN 269 293 ? ? ? A C n A 1 270 LEU 270 293 ? ? ? A D n A 1 271 THR 271 293 ? ? ? A E n A 1 272 ARG 272 293 ? ? ? A F n A 1 273 LYS 273 293 ? ? ? A G n A 1 274 ILE 274 293 ? ? ? A H n A 1 275 ARG 275 293 ? ? ? A I n A 1 276 SER 276 302 302 SER SER A . n A 1 277 GLU 277 303 303 GLU GLU A . n A 1 278 GLU 278 304 304 GLU GLU A . n A 1 279 LEU 279 305 305 LEU LEU A . n A 1 280 SER 280 306 306 SER SER A . n A 1 281 PHE 281 307 307 PHE PHE A . n A 1 282 THR 282 308 308 THR THR A . n A 1 283 VAL 283 309 309 VAL VAL A . n A 1 284 VAL 284 310 310 VAL VAL A . n A 1 285 SER 285 431 ? ? ? A . n A 1 286 THR 286 432 ? ? ? A . n A 1 287 HIS 287 433 ? ? ? A . n A 1 288 HIS 288 434 ? ? ? A . n A 1 289 GLN 289 435 ? ? ? A . n A 1 290 ASP 290 436 ? ? ? A . n A 1 291 THR 291 437 ? ? ? A . n A 1 292 GLY 292 438 ? ? ? A . n A 1 293 GLU 293 439 ? ? ? A . n A 1 294 GLU 294 440 ? ? ? A . n A 1 295 SER 295 441 ? ? ? A . n A 1 296 ALA 296 442 ? ? ? A . n A 1 297 SER 297 443 ? ? ? A . n A 1 298 SER 298 444 ? ? ? A . n A 1 299 GLY 299 445 ? ? ? A . n A 1 300 LYS 300 446 ? ? ? A . n A 1 301 LEU 301 447 ? ? ? A . n A 1 302 GLY 302 448 ? ? ? A . n A 1 303 LEU 303 449 ? ? ? A . n A 1 304 ILE 304 450 ? ? ? A . n A 1 305 THR 305 451 ? ? ? A . n A 1 306 ASN 306 452 ? ? ? A . n A 1 307 THR 307 453 ? ? ? A . n A 1 308 ILE 308 454 ? ? ? A . n A 1 309 ALA 309 455 ? ? ? A . n A 1 310 GLY 310 456 ? ? ? A . n A 1 311 VAL 311 457 ? ? ? A . n A 1 312 ALA 312 458 ? ? ? A . n A 1 313 GLY 313 459 ? ? ? A . n A 1 314 LEU 314 460 ? ? ? A . n A 1 315 ILE 315 461 ? ? ? A . n A 1 316 THR 316 462 ? ? ? A . n A 1 317 GLY 317 463 ? ? ? A . n A 1 318 GLY 318 464 ? ? ? A . n A 1 319 ARG 319 465 ? ? ? A . n A 1 320 ARG 320 466 ? ? ? A . n A 1 321 THR 321 467 ? ? ? A . n A 1 322 ARG 322 468 ? ? ? A . n A 1 323 ARG 323 469 ? ? ? A . n A 1 324 UNK 324 470 470 UNK UNK A . n A 1 325 UNK 325 471 471 UNK UNK A . n A 1 326 UNK 326 472 472 UNK UNK A . n A 1 327 UNK 327 473 473 UNK UNK A . n A 1 328 UNK 328 474 474 UNK UNK A . n A 1 329 UNK 329 475 475 UNK UNK A . n A 1 330 UNK 330 476 476 UNK UNK A . n A 1 331 UNK 331 477 477 UNK UNK A . n A 1 332 UNK 332 478 478 UNK UNK A . n B 2 1 GLU 1 502 502 GLU GLU B . n B 2 2 ALA 2 503 503 ALA ALA B . n B 2 3 ILE 3 504 504 ILE ILE B . n B 2 4 VAL 4 505 505 VAL VAL B . n B 2 5 ASN 5 506 506 ASN ASN B . n B 2 6 ALA 6 507 507 ALA ALA B . n B 2 7 GLN 7 508 508 GLN GLN B . n B 2 8 PRO 8 509 509 PRO PRO B . n B 2 9 LYS 9 510 510 LYS LYS B . n B 2 10 CYS 10 511 511 CYS CYS B . n B 2 11 ASN 11 512 512 ASN ASN B . n B 2 12 PRO 12 513 513 PRO PRO B . n B 2 13 ASN 13 514 514 ASN ASN B . n B 2 14 LEU 14 515 515 LEU LEU B . n B 2 15 HIS 15 516 516 HIS HIS B . n B 2 16 TYR 16 517 517 TYR TYR B . n B 2 17 TRP 17 518 518 TRP TRP B . n B 2 18 THR 18 519 519 THR THR B . n B 2 19 THR 19 520 520 THR THR B . n B 2 20 GLN 20 521 521 GLN GLN B . n B 2 21 ASP 21 522 522 ASP ASP B . n B 2 22 GLU 22 523 523 GLU GLU B . n B 2 23 GLY 23 524 524 GLY GLY B . n B 2 24 ALA 24 525 525 ALA ALA B . n B 2 25 ALA 25 526 526 ALA ALA B . n B 2 26 ILE 26 527 527 ILE ILE B . n B 2 27 GLY 27 528 528 GLY GLY B . n B 2 28 LEU 28 529 529 LEU LEU B . n B 2 29 ALA 29 530 530 ALA ALA B . n B 2 30 TRP 30 531 531 TRP TRP B . n B 2 31 ILE 31 532 532 ILE ILE B . n B 2 32 PRO 32 533 533 PRO PRO B . n B 2 33 TYR 33 534 534 TYR TYR B . n B 2 34 PHE 34 535 535 PHE PHE B . n B 2 35 GLY 35 536 536 GLY GLY B . n B 2 36 PRO 36 537 537 PRO PRO B . n B 2 37 ALA 37 538 538 ALA ALA B . n B 2 38 ALA 38 539 539 ALA ALA B . n B 2 39 GLU 39 540 540 GLU GLU B . n B 2 40 GLY 40 541 541 GLY GLY B . n B 2 41 ILE 41 542 542 ILE ILE B . n B 2 42 TYR 42 543 543 TYR TYR B . n B 2 43 ILE 43 544 544 ILE ILE B . n B 2 44 GLU 44 545 545 GLU GLU B . n B 2 45 GLY 45 546 546 GLY GLY B . n B 2 46 LEU 46 547 547 LEU LEU B . n B 2 47 MET 47 548 548 MET MET B . n B 2 48 HIS 48 549 549 HIS HIS B . n B 2 49 ASN 49 550 550 ASN ASN B . n B 2 50 GLN 50 551 551 GLN GLN B . n B 2 51 ASP 51 552 552 ASP ASP B . n B 2 52 GLY 52 553 553 GLY GLY B . n B 2 53 LEU 53 554 554 LEU LEU B . n B 2 54 ILE 54 555 555 ILE ILE B . n B 2 55 CYS 55 556 556 CYS CYS B . n B 2 56 GLY 56 557 557 GLY GLY B . n B 2 57 LEU 57 558 558 LEU LEU B . n B 2 58 ARG 58 559 559 ARG ARG B . n B 2 59 GLN 59 560 560 GLN GLN B . n B 2 60 LEU 60 561 561 LEU LEU B . n B 2 61 ALA 61 562 562 ALA ALA B . n B 2 62 ASN 62 563 563 ASN ASN B . n B 2 63 GLU 63 564 564 GLU GLU B . n B 2 64 THR 64 565 565 THR THR B . n B 2 65 THR 65 566 566 THR THR B . n B 2 66 GLN 66 567 567 GLN GLN B . n B 2 67 ALA 67 568 568 ALA ALA B . n B 2 68 LEU 68 569 569 LEU LEU B . n B 2 69 GLN 69 570 570 GLN GLN B . n B 2 70 LEU 70 571 571 LEU LEU B . n B 2 71 PHE 71 572 572 PHE PHE B . n B 2 72 LEU 72 573 573 LEU LEU B . n B 2 73 ARG 73 574 574 ARG ARG B . n B 2 74 ALA 74 575 575 ALA ALA B . n B 2 75 THR 75 576 576 THR THR B . n B 2 76 THR 76 577 577 THR THR B . n B 2 77 GLU 77 578 578 GLU GLU B . n B 2 78 LEU 78 579 579 LEU LEU B . n B 2 79 ARG 79 580 580 ARG ARG B . n B 2 80 THR 80 581 581 THR THR B . n B 2 81 PHE 81 582 582 PHE PHE B . n B 2 82 SER 82 583 583 SER SER B . n B 2 83 ILE 83 584 584 ILE ILE B . n B 2 84 LEU 84 585 585 LEU LEU B . n B 2 85 ASN 85 586 586 ASN ASN B . n B 2 86 ARG 86 587 587 ARG ARG B . n B 2 87 LYS 87 588 588 LYS LYS B . n B 2 88 ALA 88 589 589 ALA ALA B . n B 2 89 ILE 89 590 590 ILE ILE B . n B 2 90 ASP 90 591 591 ASP ASP B . n B 2 91 PHE 91 592 592 PHE PHE B . n B 2 92 LEU 92 593 593 LEU LEU B . n B 2 93 LEU 93 594 594 LEU LEU B . n B 2 94 GLN 94 595 595 GLN GLN B . n B 2 95 ARG 95 596 596 ARG ARG B . n B 2 96 TRP 96 597 597 TRP TRP B . n B 2 97 GLY 97 598 598 GLY GLY B . n B 2 98 GLY 98 599 599 GLY GLY B . n B 2 99 THR 99 600 600 THR THR B . n B 2 100 CYS 100 601 601 CYS CYS B . n B 2 101 HIS 101 602 602 HIS HIS B . n B 2 102 ILE 102 603 603 ILE ILE B . n B 2 103 LEU 103 604 604 LEU LEU B . n B 2 104 GLY 104 605 605 GLY GLY B . n B 2 105 PRO 105 606 606 PRO PRO B . n B 2 106 ASP 106 607 607 ASP ASP B . n B 2 107 CYS 107 608 608 CYS CYS B . n B 2 108 CYS 108 609 609 CYS CYS B . n B 2 109 ILE 109 610 610 ILE ILE B . n B 2 110 GLU 110 611 611 GLU GLU B . n B 2 111 PRO 111 612 612 PRO PRO B . n B 2 112 HIS 112 613 613 HIS HIS B . n B 2 113 ASP 113 614 614 ASP ASP B . n B 2 114 TRP 114 615 615 TRP TRP B . n B 2 115 THR 115 616 616 THR THR B . n B 2 116 LYS 116 617 617 LYS LYS B . n B 2 117 ASN 117 618 618 ASN ASN B . n B 2 118 ILE 118 619 619 ILE ILE B . n B 2 119 THR 119 620 620 THR THR B . n B 2 120 ASP 120 621 621 ASP ASP B . n B 2 121 LYS 121 622 622 LYS LYS B . n B 2 122 ILE 122 623 623 ILE ILE B . n B 2 123 ASP 123 624 624 ASP ASP B . n B 2 124 GLN 124 625 625 GLN GLN B . n B 2 125 ILE 125 626 626 ILE ILE B . n B 2 126 ILE 126 627 627 ILE ILE B . n B 2 127 HIS 127 628 628 HIS HIS B . n B 2 128 ASP 128 629 629 ASP ASP B . n B 2 129 PHE 129 630 630 PHE PHE B . n B 2 130 VAL 130 631 631 VAL VAL B . n B 2 131 ASP 131 632 ? ? ? B . n B 2 132 GLY 132 633 ? ? ? B . n B 2 133 SER 133 634 ? ? ? B . n B 2 134 GLY 134 635 ? ? ? B . n B 2 135 TYR 135 636 ? ? ? B . n B 2 136 ILE 136 637 ? ? ? B . n B 2 137 PRO 137 638 ? ? ? B . n B 2 138 GLU 138 639 ? ? ? B . n B 2 139 ALA 139 640 ? ? ? B . n B 2 140 PRO 140 641 ? ? ? B . n B 2 141 ARG 141 642 ? ? ? B . n B 2 142 ASP 142 643 ? ? ? B . n B 2 143 GLY 143 644 ? ? ? B . n B 2 144 GLN 144 645 ? ? ? B . n B 2 145 ALA 145 646 ? ? ? B . n B 2 146 TYR 146 647 ? ? ? B . n B 2 147 VAL 147 648 ? ? ? B . n B 2 148 ARG 148 649 ? ? ? B . n B 2 149 LYS 149 650 ? ? ? B . n B 2 150 ASP 150 651 ? ? ? B . n B 2 151 GLY 151 652 ? ? ? B . n B 2 152 GLU 152 653 ? ? ? B . n B 2 153 TRP 153 654 ? ? ? B . n B 2 154 VAL 154 655 ? ? ? B . n B 2 155 LEU 155 656 ? ? ? B . n B 2 156 LEU 156 657 ? ? ? B . n B 2 157 SER 157 658 ? ? ? B . n B 2 158 THR 158 659 ? ? ? B . n B 2 159 PHE 159 660 ? ? ? B . n B 2 160 LEU 160 661 ? ? ? B . n B 2 161 GLY 161 662 ? ? ? B . n B 2 162 THR 162 663 ? ? ? B . n B 2 163 HIS 163 664 ? ? ? B . n B 2 164 HIS 164 665 ? ? ? B . n B 2 165 HIS 165 666 ? ? ? B . n B 2 166 HIS 166 667 ? ? ? B . n B 2 167 HIS 167 668 ? ? ? B . n B 2 168 HIS 168 669 ? ? ? 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 1 601 601 NAG NAG A . D 3 NAG 1 602 602 NAG NAG A . E 3 NAG 1 603 603 NAG NAG A . F 3 NAG 1 604 604 NAG NAG A . G 4 GOL 1 605 605 GOL GOL A . H 4 GOL 1 606 606 GOL GOL A . I 3 NAG 1 701 701 NAG NAG B . J 3 NAG 1 702 702 NAG NAG B . K 3 NAG 2 703 703 NAG NAG B . L 5 BMA 3 704 704 BMA BMA B . M 6 MAN 4 705 705 MAN MAN B . N 6 MAN 5 706 706 MAN MAN B . O 7 HOH 1 701 701 HOH HOH A . O 7 HOH 2 702 702 HOH HOH A . O 7 HOH 3 703 703 HOH HOH A . O 7 HOH 4 704 704 HOH HOH A . O 7 HOH 5 705 705 HOH HOH A . O 7 HOH 6 706 706 HOH HOH A . O 7 HOH 7 707 707 HOH HOH A . O 7 HOH 8 708 708 HOH HOH A . O 7 HOH 9 709 709 HOH HOH A . O 7 HOH 10 710 710 HOH HOH A . O 7 HOH 11 711 711 HOH HOH A . O 7 HOH 12 712 712 HOH HOH A . O 7 HOH 13 713 713 HOH HOH A . O 7 HOH 14 714 714 HOH HOH A . O 7 HOH 15 715 715 HOH HOH A . O 7 HOH 16 716 716 HOH HOH A . O 7 HOH 17 717 717 HOH HOH A . O 7 HOH 18 718 718 HOH HOH A . O 7 HOH 19 719 719 HOH HOH A . O 7 HOH 20 720 720 HOH HOH A . O 7 HOH 21 721 721 HOH HOH A . O 7 HOH 22 722 722 HOH HOH A . O 7 HOH 23 723 723 HOH HOH A . O 7 HOH 24 724 724 HOH HOH A . O 7 HOH 25 725 725 HOH HOH A . O 7 HOH 26 726 726 HOH HOH A . O 7 HOH 27 727 727 HOH HOH A . O 7 HOH 28 728 728 HOH HOH A . O 7 HOH 29 729 729 HOH HOH A . O 7 HOH 30 730 730 HOH HOH A . O 7 HOH 31 731 731 HOH HOH A . O 7 HOH 32 732 732 HOH HOH A . O 7 HOH 33 733 733 HOH HOH A . O 7 HOH 34 734 734 HOH HOH A . O 7 HOH 35 735 735 HOH HOH A . O 7 HOH 36 736 736 HOH HOH A . O 7 HOH 37 737 737 HOH HOH A . O 7 HOH 38 738 738 HOH HOH A . O 7 HOH 39 739 739 HOH HOH A . O 7 HOH 40 740 740 HOH HOH A . O 7 HOH 41 741 741 HOH HOH A . O 7 HOH 42 742 742 HOH HOH A . O 7 HOH 43 743 743 HOH HOH A . O 7 HOH 44 744 744 HOH HOH A . O 7 HOH 45 745 745 HOH HOH A . O 7 HOH 46 746 746 HOH HOH A . O 7 HOH 47 747 747 HOH HOH A . O 7 HOH 48 748 748 HOH HOH A . O 7 HOH 49 749 749 HOH HOH A . O 7 HOH 50 750 750 HOH HOH A . O 7 HOH 51 751 751 HOH HOH A . O 7 HOH 52 752 752 HOH HOH A . O 7 HOH 53 753 753 HOH HOH A . O 7 HOH 54 754 754 HOH HOH A . O 7 HOH 55 755 755 HOH HOH A . O 7 HOH 56 756 756 HOH HOH A . O 7 HOH 57 757 757 HOH HOH A . O 7 HOH 58 758 758 HOH HOH A . O 7 HOH 59 759 759 HOH HOH A . O 7 HOH 60 760 760 HOH HOH A . O 7 HOH 61 761 761 HOH HOH A . O 7 HOH 62 762 762 HOH HOH A . O 7 HOH 63 763 763 HOH HOH A . O 7 HOH 64 764 764 HOH HOH A . O 7 HOH 65 765 765 HOH HOH A . O 7 HOH 66 766 766 HOH HOH A . O 7 HOH 67 767 767 HOH HOH A . O 7 HOH 68 768 768 HOH HOH A . O 7 HOH 69 769 769 HOH HOH A . P 7 HOH 1 801 801 HOH HOH B . P 7 HOH 2 802 802 HOH HOH B . P 7 HOH 3 803 803 HOH HOH B . P 7 HOH 4 804 804 HOH HOH B . P 7 HOH 5 805 805 HOH HOH B . P 7 HOH 6 806 806 HOH HOH B . P 7 HOH 7 807 807 HOH HOH B . P 7 HOH 8 808 808 HOH HOH B . P 7 HOH 9 809 809 HOH HOH B . P 7 HOH 10 810 810 HOH HOH B . P 7 HOH 11 811 811 HOH HOH B . P 7 HOH 12 812 812 HOH HOH B . P 7 HOH 13 813 813 HOH HOH B . P 7 HOH 14 814 814 HOH HOH B . P 7 HOH 15 815 815 HOH HOH B . P 7 HOH 16 816 816 HOH HOH B . P 7 HOH 17 817 817 HOH HOH B . P 7 HOH 18 818 818 HOH HOH B . P 7 HOH 19 819 819 HOH HOH B . P 7 HOH 20 820 820 HOH HOH B . P 7 HOH 21 821 821 HOH HOH B . P 7 HOH 22 822 822 HOH HOH B . P 7 HOH 23 823 823 HOH HOH B . P 7 HOH 24 824 824 HOH HOH B . P 7 HOH 25 825 825 HOH HOH B . P 7 HOH 26 826 826 HOH HOH B . P 7 HOH 27 827 827 HOH HOH B . P 7 HOH 28 828 828 HOH HOH B . P 7 HOH 29 829 829 HOH HOH B . P 7 HOH 30 830 830 HOH HOH B . P 7 HOH 31 831 831 HOH HOH B . P 7 HOH 32 832 832 HOH HOH B . P 7 HOH 33 833 833 HOH HOH B . P 7 HOH 34 834 834 HOH HOH B . P 7 HOH 35 835 835 HOH HOH B . P 7 HOH 36 836 836 HOH HOH B . P 7 HOH 37 837 837 HOH HOH B . P 7 HOH 38 838 838 HOH HOH B . P 7 HOH 39 839 839 HOH HOH B . P 7 HOH 40 840 840 HOH HOH B . P 7 HOH 41 841 841 HOH HOH B . P 7 HOH 42 842 842 HOH HOH B . P 7 HOH 43 843 843 HOH HOH B . P 7 HOH 44 844 844 HOH HOH B . P 7 HOH 45 845 845 HOH HOH B . P 7 HOH 46 846 846 HOH HOH B . P 7 HOH 47 847 847 HOH HOH B . P 7 HOH 48 848 848 HOH HOH B . P 7 HOH 49 849 849 HOH HOH B . P 7 HOH 50 850 850 HOH HOH B . # _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,K,L,M,N,O,P # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 39820 ? 1 MORE -95 ? 1 'SSA (A^2)' 54390 ? # 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_565 -y,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 -57.1290000000 0.8660254038 -0.5000000000 0.0000000000 98.9503305856 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_455 -x+y-1,-x,z -0.5000000000 0.8660254038 0.0000000000 -114.2580000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-06-29 2 'Structure model' 1 1 2016-07-13 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -52.4458 6.0476 -27.0355 0.2950 0.1634 0.0545 -0.0174 0.0359 -0.0021 1.8411 2.5901 3.0502 -0.5851 -0.3893 0.9463 -0.0194 0.1151 -0.2476 -0.0767 -0.0309 -0.1252 0.5848 0.1608 0.0503 'X-RAY DIFFRACTION' 2 ? refined -52.0967 20.3186 -0.7096 0.3660 0.3590 0.0467 0.0068 -0.0311 -0.0299 0.8969 1.8072 1.2309 -0.2307 -0.4139 0.2622 -0.0645 -0.4070 0.1401 0.5845 0.0126 -0.1499 0.2026 0.2576 0.0519 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 32 ? ? A 478 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 502 ? ? B 631 ? ? ? ? # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0135 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 # 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 TYR A 162 ? ? -114.65 -158.81 2 1 LYS A 190 ? ? -60.96 95.26 3 1 GLU A 229 ? ? -98.75 53.35 4 1 ASN A 268 ? ? -115.64 54.66 5 1 ASN B 550 ? ? -88.12 39.24 6 1 LEU B 604 ? ? 76.18 -5.39 7 1 CYS B 609 ? ? -94.60 54.67 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 190 ? CG ? A LYS 163 CG 2 1 Y 1 A LYS 190 ? CD ? A LYS 163 CD 3 1 Y 1 A LYS 190 ? CE ? A LYS 163 CE 4 1 Y 1 A LYS 190 ? NZ ? A LYS 163 NZ 5 1 Y 1 A LYS 191 ? CG ? A LYS 164 CG 6 1 Y 1 A LYS 191 ? CD ? A LYS 164 CD 7 1 Y 1 A LYS 191 ? CE ? A LYS 164 CE 8 1 Y 1 A LYS 191 ? NZ ? A LYS 164 NZ # 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 GLU 28 ? A GLU 1 2 1 Y 1 A THR 29 ? A THR 2 3 1 Y 1 A GLY 30 ? A GLY 3 4 1 Y 1 A ARG 31 ? A ARG 4 5 1 Y 1 A SER 196 ? A SER 169 6 1 Y 1 A HIS 197 ? A HIS 170 7 1 Y 1 A PRO 198 ? A PRO 171 8 1 Y 1 A LEU 199 ? A LEU 172 9 1 Y 1 A ARG 200 ? A ARG 173 10 1 Y 1 A GLU 201 ? A GLU 174 11 1 Y 1 A PRO 202 ? A PRO 175 12 1 Y 1 A VAL 203 ? A VAL 176 13 1 Y 1 A ASN 204 ? A ASN 177 14 1 Y 1 A ALA 205 ? A ALA 178 15 1 Y 1 A THR 206 ? A THR 179 16 1 Y 1 A GLU 207 ? A GLU 180 17 1 Y 1 A ASP 208 ? A ASP 181 18 1 Y 1 A PRO 209 ? A PRO 182 19 1 Y 1 A SER 210 ? A SER 183 20 1 Y 1 A ILE 285 ? A ILE 258 21 1 Y 1 A GLY 286 ? A GLY 259 22 1 Y 1 A LYS 293 A A LYS 267 23 1 Y 1 A LYS 293 B A LYS 268 24 1 Y 1 A ASN 293 C A ASN 269 25 1 Y 1 A LEU 293 D A LEU 270 26 1 Y 1 A THR 293 E A THR 271 27 1 Y 1 A ARG 293 F A ARG 272 28 1 Y 1 A LYS 293 G A LYS 273 29 1 Y 1 A ILE 293 H A ILE 274 30 1 Y 1 A ARG 293 I A ARG 275 31 1 Y 1 A SER 431 ? A SER 285 32 1 Y 1 A THR 432 ? A THR 286 33 1 Y 1 A HIS 433 ? A HIS 287 34 1 Y 1 A HIS 434 ? A HIS 288 35 1 Y 1 A GLN 435 ? A GLN 289 36 1 Y 1 A ASP 436 ? A ASP 290 37 1 Y 1 A THR 437 ? A THR 291 38 1 Y 1 A GLY 438 ? A GLY 292 39 1 Y 1 A GLU 439 ? A GLU 293 40 1 Y 1 A GLU 440 ? A GLU 294 41 1 Y 1 A SER 441 ? A SER 295 42 1 Y 1 A ALA 442 ? A ALA 296 43 1 Y 1 A SER 443 ? A SER 297 44 1 Y 1 A SER 444 ? A SER 298 45 1 Y 1 A GLY 445 ? A GLY 299 46 1 Y 1 A LYS 446 ? A LYS 300 47 1 Y 1 A LEU 447 ? A LEU 301 48 1 Y 1 A GLY 448 ? A GLY 302 49 1 Y 1 A LEU 449 ? A LEU 303 50 1 Y 1 A ILE 450 ? A ILE 304 51 1 Y 1 A THR 451 ? A THR 305 52 1 Y 1 A ASN 452 ? A ASN 306 53 1 Y 1 A THR 453 ? A THR 307 54 1 Y 1 A ILE 454 ? A ILE 308 55 1 Y 1 A ALA 455 ? A ALA 309 56 1 Y 1 A GLY 456 ? A GLY 310 57 1 Y 1 A VAL 457 ? A VAL 311 58 1 Y 1 A ALA 458 ? A ALA 312 59 1 Y 1 A GLY 459 ? A GLY 313 60 1 Y 1 A LEU 460 ? A LEU 314 61 1 Y 1 A ILE 461 ? A ILE 315 62 1 Y 1 A THR 462 ? A THR 316 63 1 Y 1 A GLY 463 ? A GLY 317 64 1 Y 1 A GLY 464 ? A GLY 318 65 1 Y 1 A ARG 465 ? A ARG 319 66 1 Y 1 A ARG 466 ? A ARG 320 67 1 Y 1 A THR 467 ? A THR 321 68 1 Y 1 A ARG 468 ? A ARG 322 69 1 Y 1 A ARG 469 ? A ARG 323 70 1 Y 1 B ASP 632 ? B ASP 131 71 1 Y 1 B GLY 633 ? B GLY 132 72 1 Y 1 B SER 634 ? B SER 133 73 1 Y 1 B GLY 635 ? B GLY 134 74 1 Y 1 B TYR 636 ? B TYR 135 75 1 Y 1 B ILE 637 ? B ILE 136 76 1 Y 1 B PRO 638 ? B PRO 137 77 1 Y 1 B GLU 639 ? B GLU 138 78 1 Y 1 B ALA 640 ? B ALA 139 79 1 Y 1 B PRO 641 ? B PRO 140 80 1 Y 1 B ARG 642 ? B ARG 141 81 1 Y 1 B ASP 643 ? B ASP 142 82 1 Y 1 B GLY 644 ? B GLY 143 83 1 Y 1 B GLN 645 ? B GLN 144 84 1 Y 1 B ALA 646 ? B ALA 145 85 1 Y 1 B TYR 647 ? B TYR 146 86 1 Y 1 B VAL 648 ? B VAL 147 87 1 Y 1 B ARG 649 ? B ARG 148 88 1 Y 1 B LYS 650 ? B LYS 149 89 1 Y 1 B ASP 651 ? B ASP 150 90 1 Y 1 B GLY 652 ? B GLY 151 91 1 Y 1 B GLU 653 ? B GLU 152 92 1 Y 1 B TRP 654 ? B TRP 153 93 1 Y 1 B VAL 655 ? B VAL 154 94 1 Y 1 B LEU 656 ? B LEU 155 95 1 Y 1 B LEU 657 ? B LEU 156 96 1 Y 1 B SER 658 ? B SER 157 97 1 Y 1 B THR 659 ? B THR 158 98 1 Y 1 B PHE 660 ? B PHE 159 99 1 Y 1 B LEU 661 ? B LEU 160 100 1 Y 1 B GLY 662 ? B GLY 161 101 1 Y 1 B THR 663 ? B THR 162 102 1 Y 1 B HIS 664 ? B HIS 163 103 1 Y 1 B HIS 665 ? B HIS 164 104 1 Y 1 B HIS 666 ? B HIS 165 105 1 Y 1 B HIS 667 ? B HIS 166 106 1 Y 1 B HIS 668 ? B HIS 167 107 1 Y 1 B HIS 669 ? B HIS 168 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 GLYCEROL GOL 5 BETA-D-MANNOSE BMA 6 ALPHA-D-MANNOSE MAN 7 water HOH #