data_5JQB # _entry.id 5JQB # _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 5JQB WWPDB D_1000221057 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5JQB _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 5JQB _cell.length_a 113.760 _cell.length_b 113.760 _cell.length_c 306.150 _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 5JQB _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' 36302.719 1 ? T42A,T42A,T42A ? ? 2 polymer man 'Envelope glycoprotein 2' 18989.391 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer syn GLYCEROL 92.094 5 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 6 non-polymer syn IBUPROFEN 206.281 1 ? ? ? ? 7 water nat water 18.015 73 ? ? ? ? # 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) ; ;ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAEN CYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILP QAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSTHHQDTGEESASSGKLGLITNTIAGVAGLITGGRR TRRXXXXXXX ; 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 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' 324 330 ? ? 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 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # 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 5JQB 5JQB ? 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 5JQB A 5 ? 285 ? Q05320 32 ? 312 ? 32 432 2 2 5JQB A 286 ? 323 ? Q05320 464 ? 501 ? 433 470 3 3 5JQB A 324 ? 330 ? 5JQB 471 ? 477 ? 471 477 4 4 5JQB 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 5JQB GLU A 1 ? UNP Q05320 ? ? 'expression tag' 28 1 1 5JQB THR A 2 ? UNP Q05320 ? ? 'expression tag' 29 2 1 5JQB GLY A 3 ? UNP Q05320 ? ? 'expression tag' 30 3 1 5JQB ARG A 4 ? UNP Q05320 ? ? 'expression tag' 31 4 1 5JQB ALA A 15 ? UNP Q05320 THR 42 'engineered mutation' 42 5 4 5JQB GLY B 132 ? UNP Q05320 ? ? 'expression tag' 633 6 4 5JQB SER B 133 ? UNP Q05320 ? ? 'expression tag' 634 7 4 5JQB GLY B 134 ? UNP Q05320 ? ? 'expression tag' 635 8 4 5JQB TYR B 135 ? UNP Q05320 ? ? 'expression tag' 636 9 4 5JQB ILE B 136 ? UNP Q05320 ? ? 'expression tag' 637 10 4 5JQB PRO B 137 ? UNP Q05320 ? ? 'expression tag' 638 11 4 5JQB GLU B 138 ? UNP Q05320 ? ? 'expression tag' 639 12 4 5JQB ALA B 139 ? UNP Q05320 ? ? 'expression tag' 640 13 4 5JQB PRO B 140 ? UNP Q05320 ? ? 'expression tag' 641 14 4 5JQB ARG B 141 ? UNP Q05320 ? ? 'expression tag' 642 15 4 5JQB ASP B 142 ? UNP Q05320 ? ? 'expression tag' 643 16 4 5JQB GLY B 143 ? UNP Q05320 ? ? 'expression tag' 644 17 4 5JQB GLN B 144 ? UNP Q05320 ? ? 'expression tag' 645 18 4 5JQB ALA B 145 ? UNP Q05320 ? ? 'expression tag' 646 19 4 5JQB TYR B 146 ? UNP Q05320 ? ? 'expression tag' 647 20 4 5JQB VAL B 147 ? UNP Q05320 ? ? 'expression tag' 648 21 4 5JQB ARG B 148 ? UNP Q05320 ? ? 'expression tag' 649 22 4 5JQB LYS B 149 ? UNP Q05320 ? ? 'expression tag' 650 23 4 5JQB ASP B 150 ? UNP Q05320 ? ? 'expression tag' 651 24 4 5JQB GLY B 151 ? UNP Q05320 ? ? 'expression tag' 652 25 4 5JQB GLU B 152 ? UNP Q05320 ? ? 'expression tag' 653 26 4 5JQB TRP B 153 ? UNP Q05320 ? ? 'expression tag' 654 27 4 5JQB VAL B 154 ? UNP Q05320 ? ? 'expression tag' 655 28 4 5JQB LEU B 155 ? UNP Q05320 ? ? 'expression tag' 656 29 4 5JQB LEU B 156 ? UNP Q05320 ? ? 'expression tag' 657 30 4 5JQB SER B 157 ? UNP Q05320 ? ? 'expression tag' 658 31 4 5JQB THR B 158 ? UNP Q05320 ? ? 'expression tag' 659 32 4 5JQB PHE B 159 ? UNP Q05320 ? ? 'expression tag' 660 33 4 5JQB LEU B 160 ? UNP Q05320 ? ? 'expression tag' 661 34 4 5JQB GLY B 161 ? UNP Q05320 ? ? 'expression tag' 662 35 4 5JQB THR B 162 ? UNP Q05320 ? ? 'expression tag' 663 36 4 5JQB HIS B 163 ? UNP Q05320 ? ? 'expression tag' 664 37 4 5JQB HIS B 164 ? UNP Q05320 ? ? 'expression tag' 665 38 4 5JQB HIS B 165 ? UNP Q05320 ? ? 'expression tag' 666 39 4 5JQB HIS B 166 ? UNP Q05320 ? ? 'expression tag' 667 40 4 5JQB HIS B 167 ? UNP Q05320 ? ? 'expression tag' 668 41 4 5JQB 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 IBP non-polymer . IBUPROFEN '2-(4-ISOBUTYLPHENYL)PROPIONIC ACID' 'C13 H18 O2' 206.281 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 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 5JQB _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 3.49 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 64.71 _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 ? _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 PILATUS 6M-F' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-11-26 # _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 0.9700 _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 I02' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.9700 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I02 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 5JQB _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 82.840 _reflns.d_resolution_high 2.680 _reflns.number_obs 21842 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.12900 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 14.7000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 9.800 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.68 _reflns_shell.d_res_low 2.75 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 1.500 _reflns_shell.pdbx_redundancy 8.30 _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_all ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5JQB _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 20734 _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 82.84 _refine.ls_d_res_high 2.68 _refine.ls_percent_reflns_obs 99.9 _refine.ls_R_factor_obs 0.201 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.199 _refine.ls_R_factor_R_free 0.234 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.100 _refine.ls_number_reflns_R_free 1107 _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 0.923 _refine.B_iso_mean 73.22 _refine.aniso_B[1][1] 0.73000 _refine.aniso_B[2][2] 0.73000 _refine.aniso_B[3][3] -2.38000 _refine.aniso_B[1][2] 0.37000 _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 5JQ3 _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 0.350 _refine.pdbx_overall_ESU_R_Free 0.253 _refine.overall_SU_ML 0.202 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 20.159 _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 3025 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 140 _refine_hist.number_atoms_solvent 73 _refine_hist.number_atoms_total 3238 _refine_hist.d_res_high 2.68 _refine_hist.d_res_low 82.84 # 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 ? 3243 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 2985 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.241 1.986 ? 4413 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.871 3.000 ? 6864 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.468 5.000 ? 382 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 39.628 24.167 ? 144 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.758 15.000 ? 479 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.894 15.000 ? 17 'X-RAY DIFFRACTION' ? r_chiral_restr 0.067 0.200 ? 507 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.021 ? 3593 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 742 '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 1.522 5.424 ? 1546 'X-RAY DIFFRACTION' ? r_mcbond_other 1.522 5.420 ? 1545 'X-RAY DIFFRACTION' ? r_mcangle_it 2.779 8.100 ? 1922 'X-RAY DIFFRACTION' ? r_mcangle_other 2.778 8.106 ? 1923 'X-RAY DIFFRACTION' ? r_scbond_it 1.709 5.815 ? 1697 'X-RAY DIFFRACTION' ? r_scbond_other 1.709 5.817 ? 1698 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 3.014 8.677 ? 2492 'X-RAY DIFFRACTION' ? r_long_range_B_refined 5.972 43.619 ? 3405 'X-RAY DIFFRACTION' ? r_long_range_B_other 5.971 43.631 ? 3406 '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 2.68 _refine_ls_shell.d_res_low 2.75 _refine_ls_shell.number_reflns_R_work 1494 _refine_ls_shell.R_factor_R_work 0.3220 _refine_ls_shell.percent_reflns_obs 100.0 _refine_ls_shell.R_factor_R_free 0.2860 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 92 _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 5JQB _struct.title 'Crystal structure of Ebola glycoprotein in complex with ibuprofen' _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 5JQB _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 4 ? J N N 4 ? K N N 4 ? L N N 3 ? M N N 3 ? N N N 5 ? O N N 6 ? P N N 7 ? Q 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 ? ILE B 122 ? PRO B 612 ILE B 623 1 ? 12 HELX_P HELX_P10 AB1 ASP B 123 ? ILE B 125 ? ASP B 624 ILE B 626 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 ? ? ? ? ? ? ? 2.038 ? disulf2 disulf ? ? A CYS 81 SG ? ? ? 1_555 A CYS 108 SG ? ? A CYS 108 A CYS 135 1_555 ? ? ? ? ? ? ? 2.041 ? disulf3 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 120 SG ? ? A CYS 121 A CYS 147 1_555 ? ? ? ? ? ? ? 2.041 ? disulf4 disulf ? ? B CYS 10 SG ? ? ? 1_555 B CYS 55 SG ? ? B CYS 511 B CYS 556 1_555 ? ? ? ? ? ? ? 2.061 ? disulf5 disulf ? ? B CYS 100 SG ? ? ? 1_555 B CYS 107 SG ? ? B CYS 601 B CYS 608 1_555 ? ? ? ? ? ? ? 2.041 ? covale1 covale one ? A ASN 201 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 228 A NAG 602 1_555 ? ? ? ? ? ? ? 1.450 ? covale2 covale one ? A ASN 211 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 238 A NAG 603 1_555 ? ? ? ? ? ? ? 1.447 ? covale3 covale one ? A ASN 230 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 257 A NAG 601 1_555 ? ? ? ? ? ? ? 1.439 ? covale4 covale one ? A ASN 241 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 268 A NAG 604 1_555 ? ? ? ? ? ? ? 1.451 ? covale5 covale one ? B ASN 62 ND2 ? ? ? 1_555 L NAG . C1 ? ? B ASN 563 B NAG 703 1_555 ? ? ? ? ? ? ? 1.435 ? covale6 covale both ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? B NAG 703 B NAG 704 1_555 ? ? ? ? ? ? ? 1.443 ? covale7 covale both ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? B NAG 704 B BMA 705 1_555 ? ? ? ? ? ? ? 1.448 ? # 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 ? 4 ? AA2 ? 7 ? 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 AA1 2 3 ? parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA2 6 7 ? 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 LEU A 16 ? SER A 19 ? LEU A 43 SER A 46 AA1 2 LEU A 8 ? ILE A 11 ? LEU A 35 ILE A 38 AA1 3 ALA A 150 ? ILE A 158 ? ALA A 177 ILE A 185 AA1 4 LEU A 36 ? ASN A 42 ? LEU A 63 ASN A 69 AA2 1 LEU A 16 ? SER A 19 ? LEU A 43 SER A 46 AA2 2 LEU A 8 ? ILE A 11 ? LEU A 35 ILE A 38 AA2 3 ALA A 150 ? ILE A 158 ? ALA A 177 ILE A 185 AA2 4 PHE A 132 ? LEU A 134 ? PHE A 159 LEU A 161 AA2 5 LEU A 138 ? SER A 140 ? LEU A 165 SER A 167 AA2 6 VAL A 69 ? ASN A 71 ? VAL A 96 ASN A 98 AA2 7 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 329 ? UNK A 473 UNK A 476 AA5 8 PHE A 281 ? VAL A 283 ? PHE A 307 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 O GLN A 17 ? O GLN A 44 N VAL A 10 ? N VAL A 37 AA1 2 3 N GLY A 9 ? N GLY A 36 O PHE A 156 ? O PHE A 183 AA1 3 4 O VAL A 153 ? O VAL A 180 N LEU A 41 ? N LEU A 68 AA2 1 2 O GLN A 17 ? O GLN A 44 N VAL A 10 ? N VAL A 37 AA2 2 3 N GLY A 9 ? N GLY A 36 O PHE A 156 ? O PHE A 183 AA2 3 4 O ALA A 150 ? O ALA A 177 N LEU A 134 ? N LEU A 161 AA2 4 5 N PHE A 133 ? N PHE A 160 O SER A 140 ? O SER A 167 AA2 5 6 O ALA A 139 ? O ALA A 166 N VAL A 70 ? N VAL A 97 AA2 6 7 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 GLU A 85 ? N GLU A 112 O VAL A 114 ? O VAL A 141 AA5 2 3 N SER A 115 ? N SER A 142 O TYR A 193 ? O TYR A 220 AA5 3 4 N GLN A 194 ? N GLN A 221 O LEU A 206 ? O LEU A 233 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 TRP A 248 ? O TRP A 275 AA5 6 7 N LYS A 249 ? N LYS A 276 O UNK A 329 ? O UNK A 476 AA5 7 8 O UNK A 328 ? O UNK A 475 N THR A 282 ? N THR A 308 # 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 ? 8 'binding site for residue GOL A 605' AC2 Software A GOL 606 ? 4 'binding site for residue GOL A 606' AC3 Software A GOL 607 ? 3 'binding site for residue GOL A 607' AC4 Software B GOL 701 ? 4 'binding site for residue GOL B 701' AC5 Software B GOL 702 ? 1 'binding site for residue GOL B 702' AC6 Software B IBP 706 ? 5 'binding site for residue IBP B 706' AC7 Software A NAG 602 ? 2 'binding site for Mono-Saccharide NAG A 602 bound to ASN A 228' AC8 Software A NAG 603 ? 3 'binding site for Mono-Saccharide NAG A 603 bound to ASN A 238' AC9 Software A NAG 601 ? 8 'binding site for Mono-Saccharide NAG A 601 bound to ASN A 257' AD1 Software A NAG 604 ? 4 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 268' AD2 Software B ASN 563 ? 9 'binding site for Poly-Saccharide residues NAG B 703 through BMA B 705 bound to ASN B 563' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 8 ASN A 42 ? ASN A 69 . ? 1_555 ? 2 AC1 8 LEU A 43 ? LEU A 70 . ? 1_555 ? 3 AC1 8 GLU A 44 ? GLU A 71 . ? 1_555 ? 4 AC1 8 THR A 50 ? THR A 77 . ? 1_555 ? 5 AC1 8 ARG A 58 ? ARG A 85 . ? 1_555 ? 6 AC1 8 ASN A 80 ? ASN A 107 . ? 1_555 ? 7 AC1 8 TYR A 82 ? TYR A 109 . ? 1_555 ? 8 AC1 8 GLU A 151 ? GLU A 178 . ? 1_555 ? 9 AC2 4 PHE A 105 ? PHE A 132 . ? 1_555 ? 10 AC2 4 VAL A 111 ? VAL A 138 . ? 1_555 ? 11 AC2 4 THR A 148 ? THR A 175 . ? 1_555 ? 12 AC2 4 TYR A 186 ? TYR A 213 . ? 1_555 ? 13 AC3 3 GLU A 93 ? GLU A 120 . ? 1_555 ? 14 AC3 3 ASP A 123 ? ASP A 150 . ? 1_555 ? 15 AC3 3 HOH P . ? HOH A 707 . ? 1_555 ? 16 AC4 4 ASN B 62 ? ASN B 563 . ? 1_555 ? 17 AC4 4 GLU B 63 ? GLU B 564 . ? 1_555 ? 18 AC4 4 GLN B 66 ? GLN B 567 . ? 1_555 ? 19 AC4 4 NAG L . ? NAG B 703 . ? 1_555 ? 20 AC5 1 ASN B 11 ? ASN B 512 . ? 1_555 ? 21 AC6 5 ARG A 37 ? ARG A 64 . ? 1_555 ? 22 AC6 5 ALA A 74 ? ALA A 101 . ? 1_555 ? 23 AC6 5 LEU A 157 ? LEU A 184 . ? 1_555 ? 24 AC6 5 TYR B 16 ? TYR B 517 . ? 1_555 ? 25 AC6 5 MET B 47 ? MET B 548 . ? 1_555 ? 26 AC7 2 ASN A 201 ? ASN A 228 . ? 1_555 ? 27 AC7 2 GLU A 202 ? GLU A 229 . ? 1_555 ? 28 AC8 3 ASN A 211 ? ASN A 238 . ? 1_555 ? 29 AC8 3 ASN A 211 ? ASN A 238 . ? 18_444 ? 30 AC8 3 LEU A 212 ? LEU A 239 . ? 18_444 ? 31 AC9 8 THR A 190 ? THR A 217 . ? 1_555 ? 32 AC9 8 LEU A 227 ? LEU A 254 . ? 1_555 ? 33 AC9 8 ASN A 230 ? ASN A 257 . ? 1_555 ? 34 AC9 8 GLU A 231 ? GLU A 258 . ? 1_555 ? 35 AC9 8 TYR A 234 ? TYR A 261 . ? 1_555 ? 36 AC9 8 ASN A 241 ? ASN A 268 . ? 18_444 ? 37 AC9 8 THR A 242 ? THR A 269 . ? 18_444 ? 38 AC9 8 THR A 243 ? THR A 270 . ? 18_444 ? 39 AD1 4 THR A 235 ? THR A 262 . ? 18_444 ? 40 AD1 4 GLY A 237 ? GLY A 264 . ? 1_555 ? 41 AD1 4 LYS A 238 ? LYS A 265 . ? 1_555 ? 42 AD1 4 ASN A 241 ? ASN A 268 . ? 1_555 ? 43 AD2 9 GLU A 129 ? GLU A 156 . ? 1_555 ? 44 AD2 9 GLN B 7 ? GLN B 508 . ? 1_555 ? 45 AD2 9 PRO B 8 ? PRO B 509 . ? 1_555 ? 46 AD2 9 ASN B 62 ? ASN B 563 . ? 1_555 ? 47 AD2 9 THR B 65 ? THR B 566 . ? 1_555 ? 48 AD2 9 GOL J . ? GOL B 701 . ? 1_555 ? 49 AD2 9 HOH Q . ? HOH B 810 . ? 1_555 ? 50 AD2 9 HOH Q . ? HOH B 812 . ? 1_555 ? 51 AD2 9 HOH Q . ? HOH B 818 . ? 1_555 ? # _atom_sites.entry_id 5JQB _atom_sites.fract_transf_matrix[1][1] 0.008790 _atom_sites.fract_transf_matrix[1][2] 0.005075 _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] 0.010150 _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] 0.003266 _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 ? -68.294 17.404 -5.501 1.00 65.96 ? 32 SER A N 1 ATOM 2 C CA . SER A 1 5 ? -67.049 18.223 -5.555 1.00 64.27 ? 32 SER A CA 1 ATOM 3 C C . SER A 1 5 ? -65.911 17.419 -6.177 1.00 60.68 ? 32 SER A C 1 ATOM 4 O O . SER A 1 5 ? -65.954 16.190 -6.184 1.00 60.48 ? 32 SER A O 1 ATOM 5 C CB . SER A 1 5 ? -66.665 18.685 -4.146 1.00 65.58 ? 32 SER A CB 1 ATOM 6 O OG . SER A 1 5 ? -65.642 19.670 -4.190 1.00 68.99 ? 32 SER A OG 1 ATOM 7 N N . ILE A 1 6 ? -64.900 18.109 -6.702 1.00 57.31 ? 33 ILE A N 1 ATOM 8 C CA . ILE A 1 6 ? -63.715 17.430 -7.225 1.00 55.16 ? 33 ILE A CA 1 ATOM 9 C C . ILE A 1 6 ? -62.948 16.822 -6.053 1.00 54.57 ? 33 ILE A C 1 ATOM 10 O O . ILE A 1 6 ? -62.559 17.546 -5.145 1.00 53.30 ? 33 ILE A O 1 ATOM 11 C CB . ILE A 1 6 ? -62.793 18.377 -8.020 1.00 53.71 ? 33 ILE A CB 1 ATOM 12 C CG1 . ILE A 1 6 ? -63.488 18.806 -9.313 1.00 52.78 ? 33 ILE A CG1 1 ATOM 13 C CG2 . ILE A 1 6 ? -61.462 17.695 -8.349 1.00 52.96 ? 33 ILE A CG2 1 ATOM 14 C CD1 . ILE A 1 6 ? -62.825 19.975 -10.002 1.00 52.41 ? 33 ILE A CD1 1 ATOM 15 N N . PRO A 1 7 ? -62.725 15.497 -6.072 1.00 55.07 ? 34 PRO A N 1 ATOM 16 C CA . PRO A 1 7 ? -61.976 14.858 -4.990 1.00 56.19 ? 34 PRO A CA 1 ATOM 17 C C . PRO A 1 7 ? -60.551 15.356 -4.852 1.00 56.23 ? 34 PRO A C 1 ATOM 18 O O . PRO A 1 7 ? -59.934 15.762 -5.832 1.00 56.06 ? 34 PRO A O 1 ATOM 19 C CB . PRO A 1 7 ? -61.937 13.385 -5.397 1.00 56.87 ? 34 PRO A CB 1 ATOM 20 C CG . PRO A 1 7 ? -63.056 13.214 -6.344 1.00 57.38 ? 34 PRO A CG 1 ATOM 21 C CD . PRO A 1 7 ? -63.173 14.514 -7.070 1.00 56.10 ? 34 PRO A CD 1 ATOM 22 N N . LEU A 1 8 ? -60.039 15.286 -3.632 1.00 57.34 ? 35 LEU A N 1 ATOM 23 C CA . LEU A 1 8 ? -58.697 15.725 -3.319 1.00 57.76 ? 35 LEU A CA 1 ATOM 24 C C . LEU A 1 8 ? -58.016 14.670 -2.455 1.00 58.37 ? 35 LEU A C 1 ATOM 25 O O . LEU A 1 8 ? -58.444 14.410 -1.334 1.00 59.78 ? 35 LEU A O 1 ATOM 26 C CB . LEU A 1 8 ? -58.772 17.062 -2.596 1.00 58.14 ? 35 LEU A CB 1 ATOM 27 C CG . LEU A 1 8 ? -57.470 17.814 -2.366 1.00 58.84 ? 35 LEU A CG 1 ATOM 28 C CD1 . LEU A 1 8 ? -56.836 18.253 -3.672 1.00 58.37 ? 35 LEU A CD1 1 ATOM 29 C CD2 . LEU A 1 8 ? -57.776 19.027 -1.515 1.00 60.30 ? 35 LEU A CD2 1 ATOM 30 N N . GLY A 1 9 ? -56.973 14.050 -2.996 1.00 58.99 ? 36 GLY A N 1 ATOM 31 C CA . GLY A 1 9 ? -56.220 13.020 -2.289 1.00 59.85 ? 36 GLY A CA 1 ATOM 32 C C . GLY A 1 9 ? -55.384 13.582 -1.155 1.00 60.63 ? 36 GLY A C 1 ATOM 33 O O . GLY A 1 9 ? -54.921 14.716 -1.224 1.00 60.47 ? 36 GLY A O 1 ATOM 34 N N . VAL A 1 10 ? -55.201 12.785 -0.106 1.00 61.64 ? 37 VAL A N 1 ATOM 35 C CA . VAL A 1 10 ? -54.368 13.168 1.026 1.00 62.43 ? 37 VAL A CA 1 ATOM 36 C C . VAL A 1 10 ? -53.863 11.909 1.733 1.00 63.35 ? 37 VAL A C 1 ATOM 37 O O . VAL A 1 10 ? -54.530 10.874 1.715 1.00 63.89 ? 37 VAL A O 1 ATOM 38 C CB . VAL A 1 10 ? -55.146 14.101 1.984 1.00 63.66 ? 37 VAL A CB 1 ATOM 39 C CG1 . VAL A 1 10 ? -56.282 13.354 2.679 1.00 64.03 ? 37 VAL A CG1 1 ATOM 40 C CG2 . VAL A 1 10 ? -54.207 14.754 2.996 1.00 65.29 ? 37 VAL A CG2 1 ATOM 41 N N . ILE A 1 11 ? -52.680 11.998 2.333 1.00 64.56 ? 38 ILE A N 1 ATOM 42 C CA . ILE A 1 11 ? -52.031 10.848 2.967 1.00 65.86 ? 38 ILE A CA 1 ATOM 43 C C . ILE A 1 11 ? -52.278 10.840 4.480 1.00 67.17 ? 38 ILE A C 1 ATOM 44 O O . ILE A 1 11 ? -51.737 11.672 5.207 1.00 67.35 ? 38 ILE A O 1 ATOM 45 C CB . ILE A 1 11 ? -50.521 10.825 2.660 1.00 66.08 ? 38 ILE A CB 1 ATOM 46 C CG1 . ILE A 1 11 ? -50.310 10.635 1.155 1.00 65.44 ? 38 ILE A CG1 1 ATOM 47 C CG2 . ILE A 1 11 ? -49.822 9.706 3.430 1.00 67.28 ? 38 ILE A CG2 1 ATOM 48 C CD1 . ILE A 1 11 ? -48.892 10.888 0.689 1.00 66.11 ? 38 ILE A CD1 1 ATOM 49 N N . HIS A 1 12 ? -53.091 9.882 4.928 1.00 68.78 ? 39 HIS A N 1 ATOM 50 C CA . HIS A 1 12 ? -53.451 9.692 6.333 1.00 70.11 ? 39 HIS A CA 1 ATOM 51 C C . HIS A 1 12 ? -53.296 8.203 6.681 1.00 69.50 ? 39 HIS A C 1 ATOM 52 O O . HIS A 1 12 ? -53.715 7.342 5.906 1.00 68.20 ? 39 HIS A O 1 ATOM 53 C CB . HIS A 1 12 ? -54.896 10.163 6.559 1.00 71.92 ? 39 HIS A CB 1 ATOM 54 C CG . HIS A 1 12 ? -55.362 10.039 7.976 1.00 76.51 ? 39 HIS A CG 1 ATOM 55 N ND1 . HIS A 1 12 ? -54.834 10.795 9.003 1.00 78.51 ? 39 HIS A ND1 1 ATOM 56 C CD2 . HIS A 1 12 ? -56.302 9.243 8.540 1.00 78.52 ? 39 HIS A CD2 1 ATOM 57 C CE1 . HIS A 1 12 ? -55.430 10.473 10.138 1.00 79.99 ? 39 HIS A CE1 1 ATOM 58 N NE2 . HIS A 1 12 ? -56.325 9.533 9.884 1.00 80.57 ? 39 HIS A NE2 1 ATOM 59 N N . ASN A 1 13 ? -52.688 7.918 7.836 1.00 70.28 ? 40 ASN A N 1 ATOM 60 C CA . ASN A 1 13 ? -52.452 6.546 8.328 1.00 70.78 ? 40 ASN A CA 1 ATOM 61 C C . ASN A 1 13 ? -51.732 5.658 7.308 1.00 70.12 ? 40 ASN A C 1 ATOM 62 O O . ASN A 1 13 ? -52.144 4.522 7.057 1.00 70.64 ? 40 ASN A O 1 ATOM 63 C CB . ASN A 1 13 ? -53.765 5.890 8.787 1.00 71.47 ? 40 ASN A CB 1 ATOM 64 C CG . ASN A 1 13 ? -54.343 6.531 10.037 1.00 73.58 ? 40 ASN A CG 1 ATOM 65 O OD1 . ASN A 1 13 ? -53.630 7.145 10.832 1.00 75.36 ? 40 ASN A OD1 1 ATOM 66 N ND2 . ASN A 1 13 ? -55.644 6.358 10.237 1.00 74.49 ? 40 ASN A ND2 1 ATOM 67 N N . SER A 1 14 ? -50.656 6.191 6.729 1.00 68.65 ? 41 SER A N 1 ATOM 68 C CA . SER A 1 14 ? -49.850 5.478 5.737 1.00 68.38 ? 41 SER A CA 1 ATOM 69 C C . SER A 1 14 ? -50.711 4.947 4.575 1.00 67.91 ? 41 SER A C 1 ATOM 70 O O . SER A 1 14 ? -50.546 3.805 4.126 1.00 69.04 ? 41 SER A O 1 ATOM 71 C CB . SER A 1 14 ? -49.043 4.348 6.406 1.00 69.97 ? 41 SER A CB 1 ATOM 72 O OG . SER A 1 14 ? -47.968 4.843 7.188 1.00 70.50 ? 41 SER A OG 1 ATOM 73 N N . ALA A 1 15 ? -51.635 5.783 4.102 1.00 66.72 ? 42 ALA A N 1 ATOM 74 C CA . ALA A 1 15 ? -52.542 5.412 3.015 1.00 65.97 ? 42 ALA A CA 1 ATOM 75 C C . ALA A 1 15 ? -53.104 6.642 2.305 1.00 65.26 ? 42 ALA A C 1 ATOM 76 O O . ALA A 1 15 ? -53.375 7.661 2.941 1.00 65.64 ? 42 ALA A O 1 ATOM 77 C CB . ALA A 1 15 ? -53.682 4.577 3.564 1.00 66.00 ? 42 ALA A CB 1 ATOM 78 N N . LEU A 1 16 ? -53.296 6.546 0.995 1.00 63.97 ? 43 LEU A N 1 ATOM 79 C CA . LEU A 1 16 ? -53.984 7.606 0.275 1.00 63.13 ? 43 LEU A CA 1 ATOM 80 C C . LEU A 1 16 ? -55.472 7.504 0.578 1.00 64.53 ? 43 LEU A C 1 ATOM 81 O O . LEU A 1 16 ? -56.017 6.399 0.643 1.00 63.36 ? 43 LEU A O 1 ATOM 82 C CB . LEU A 1 16 ? -53.737 7.512 -1.231 1.00 61.32 ? 43 LEU A CB 1 ATOM 83 C CG . LEU A 1 16 ? -54.147 8.738 -2.048 1.00 59.48 ? 43 LEU A CG 1 ATOM 84 C CD1 . LEU A 1 16 ? -53.246 9.932 -1.769 1.00 58.79 ? 43 LEU A CD1 1 ATOM 85 C CD2 . LEU A 1 16 ? -54.132 8.390 -3.525 1.00 59.25 ? 43 LEU A CD2 1 ATOM 86 N N . GLN A 1 17 ? -56.104 8.661 0.780 1.00 67.35 ? 44 GLN A N 1 ATOM 87 C CA . GLN A 1 17 ? -57.541 8.758 1.048 1.00 70.39 ? 44 GLN A CA 1 ATOM 88 C C . GLN A 1 17 ? -58.165 9.884 0.246 1.00 70.79 ? 44 GLN A C 1 ATOM 89 O O . GLN A 1 17 ? -57.517 10.895 -0.002 1.00 69.04 ? 44 GLN A O 1 ATOM 90 C CB . GLN A 1 17 ? -57.790 9.030 2.526 1.00 73.43 ? 44 GLN A CB 1 ATOM 91 C CG . GLN A 1 17 ? -57.075 8.063 3.450 1.00 77.18 ? 44 GLN A CG 1 ATOM 92 C CD . GLN A 1 17 ? -57.717 7.958 4.816 1.00 81.28 ? 44 GLN A CD 1 ATOM 93 O OE1 . GLN A 1 17 ? -58.334 8.908 5.320 1.00 83.02 ? 44 GLN A OE1 1 ATOM 94 N NE2 . GLN A 1 17 ? -57.567 6.794 5.435 1.00 84.76 ? 44 GLN A NE2 1 ATOM 95 N N . VAL A 1 18 ? -59.425 9.704 -0.150 1.00 74.01 ? 45 VAL A N 1 ATOM 96 C CA . VAL A 1 18 ? -60.210 10.787 -0.729 1.00 75.36 ? 45 VAL A CA 1 ATOM 97 C C . VAL A 1 18 ? -60.741 11.610 0.414 1.00 76.49 ? 45 VAL A C 1 ATOM 98 O O . VAL A 1 18 ? -61.263 11.068 1.383 1.00 77.58 ? 45 VAL A O 1 ATOM 99 C CB . VAL A 1 18 ? -61.470 10.317 -1.492 1.00 76.92 ? 45 VAL A CB 1 ATOM 100 C CG1 . VAL A 1 18 ? -62.199 11.514 -2.105 1.00 77.65 ? 45 VAL A CG1 1 ATOM 101 C CG2 . VAL A 1 18 ? -61.133 9.296 -2.559 1.00 76.99 ? 45 VAL A CG2 1 ATOM 102 N N . SER A 1 19 ? -60.626 12.918 0.292 1.00 79.01 ? 46 SER A N 1 ATOM 103 C CA . SER A 1 19 ? -61.428 13.824 1.100 1.00 82.27 ? 46 SER A CA 1 ATOM 104 C C . SER A 1 19 ? -61.596 15.106 0.288 1.00 82.86 ? 46 SER A C 1 ATOM 105 O O . SER A 1 19 ? -61.616 15.067 -0.950 1.00 82.45 ? 46 SER A O 1 ATOM 106 C CB . SER A 1 19 ? -60.773 14.059 2.467 1.00 83.61 ? 46 SER A CB 1 ATOM 107 O OG . SER A 1 19 ? -59.747 15.030 2.386 1.00 85.52 ? 46 SER A OG 1 ATOM 108 N N . ASP A 1 20 ? -61.758 16.225 0.977 1.00 83.93 ? 47 ASP A N 1 ATOM 109 C CA . ASP A 1 20 ? -61.732 17.529 0.347 1.00 84.08 ? 47 ASP A CA 1 ATOM 110 C C . ASP A 1 20 ? -61.319 18.514 1.429 1.00 85.74 ? 47 ASP A C 1 ATOM 111 O O . ASP A 1 20 ? -61.185 18.148 2.601 1.00 85.44 ? 47 ASP A O 1 ATOM 112 C CB . ASP A 1 20 ? -63.124 17.872 -0.221 1.00 84.17 ? 47 ASP A CB 1 ATOM 113 C CG . ASP A 1 20 ? -63.087 18.906 -1.351 1.00 83.09 ? 47 ASP A CG 1 ATOM 114 O OD1 . ASP A 1 20 ? -64.134 19.076 -2.010 1.00 82.78 ? 47 ASP A OD1 1 ATOM 115 O OD2 . ASP A 1 20 ? -62.038 19.556 -1.584 1.00 81.49 ? 47 ASP A OD2 1 ATOM 116 N N . VAL A 1 21 ? -61.114 19.757 1.021 1.00 87.52 ? 48 VAL A N 1 ATOM 117 C CA . VAL A 1 21 ? -60.828 20.867 1.936 1.00 88.51 ? 48 VAL A CA 1 ATOM 118 C C . VAL A 1 21 ? -61.866 21.043 3.059 1.00 90.05 ? 48 VAL A C 1 ATOM 119 O O . VAL A 1 21 ? -61.519 21.514 4.142 1.00 89.20 ? 48 VAL A O 1 ATOM 120 C CB . VAL A 1 21 ? -60.689 22.202 1.164 1.00 88.10 ? 48 VAL A CB 1 ATOM 121 C CG1 . VAL A 1 21 ? -59.499 22.146 0.207 1.00 86.75 ? 48 VAL A CG1 1 ATOM 122 C CG2 . VAL A 1 21 ? -61.987 22.579 0.440 1.00 87.65 ? 48 VAL A CG2 1 ATOM 123 N N . ASP A 1 22 ? -63.124 20.669 2.791 1.00 92.25 ? 49 ASP A N 1 ATOM 124 C CA . ASP A 1 22 ? -64.201 20.704 3.801 1.00 94.32 ? 49 ASP A CA 1 ATOM 125 C C . ASP A 1 22 ? -64.122 19.584 4.857 1.00 95.79 ? 49 ASP A C 1 ATOM 126 O O . ASP A 1 22 ? -64.551 19.782 5.997 1.00 98.54 ? 49 ASP A O 1 ATOM 127 C CB . ASP A 1 22 ? -65.597 20.773 3.124 1.00 93.25 ? 49 ASP A CB 1 ATOM 128 C CG . ASP A 1 22 ? -66.129 19.408 2.676 1.00 92.61 ? 49 ASP A CG 1 ATOM 129 O OD1 . ASP A 1 22 ? -66.784 18.723 3.491 1.00 93.87 ? 49 ASP A OD1 1 ATOM 130 O OD2 . ASP A 1 22 ? -65.930 19.036 1.501 1.00 91.61 ? 49 ASP A OD2 1 ATOM 131 N N . LYS A 1 23 ? -63.569 18.429 4.484 1.00 95.07 ? 50 LYS A N 1 ATOM 132 C CA . LYS A 1 23 ? -63.540 17.249 5.357 1.00 95.33 ? 50 LYS A CA 1 ATOM 133 C C . LYS A 1 23 ? -62.282 17.132 6.233 1.00 93.92 ? 50 LYS A C 1 ATOM 134 O O . LYS A 1 23 ? -62.176 16.185 7.009 1.00 96.89 ? 50 LYS A O 1 ATOM 135 C CB . LYS A 1 23 ? -63.712 15.967 4.521 1.00 95.01 ? 50 LYS A CB 1 ATOM 136 C CG . LYS A 1 23 ? -64.985 15.937 3.687 1.00 94.69 ? 50 LYS A CG 1 ATOM 137 C CD . LYS A 1 23 ? -64.947 14.864 2.612 1.00 95.97 ? 50 LYS A CD 1 ATOM 138 C CE . LYS A 1 23 ? -65.982 15.126 1.519 1.00 96.24 ? 50 LYS A CE 1 ATOM 139 N NZ . LYS A 1 23 ? -65.559 14.556 0.208 1.00 94.72 ? 50 LYS A NZ 1 ATOM 140 N N . LEU A 1 24 ? -61.346 18.076 6.136 1.00 90.67 ? 51 LEU A N 1 ATOM 141 C CA . LEU A 1 24 ? -60.099 17.986 6.911 1.00 90.07 ? 51 LEU A CA 1 ATOM 142 C C . LEU A 1 24 ? -60.264 18.375 8.391 1.00 90.17 ? 51 LEU A C 1 ATOM 143 O O . LEU A 1 24 ? -61.241 19.025 8.789 1.00 90.83 ? 51 LEU A O 1 ATOM 144 C CB . LEU A 1 24 ? -58.981 18.818 6.256 1.00 89.45 ? 51 LEU A CB 1 ATOM 145 C CG . LEU A 1 24 ? -58.531 18.396 4.842 1.00 89.09 ? 51 LEU A CG 1 ATOM 146 C CD1 . LEU A 1 24 ? -57.434 19.308 4.309 1.00 87.54 ? 51 LEU A CD1 1 ATOM 147 C CD2 . LEU A 1 24 ? -58.072 16.941 4.791 1.00 89.11 ? 51 LEU A CD2 1 ATOM 148 N N . VAL A 1 25 ? -59.294 17.939 9.191 1.00 88.68 ? 52 VAL A N 1 ATOM 149 C CA . VAL A 1 25 ? -59.180 18.313 10.603 1.00 87.74 ? 52 VAL A CA 1 ATOM 150 C C . VAL A 1 25 ? -57.963 19.208 10.789 1.00 84.48 ? 52 VAL A C 1 ATOM 151 O O . VAL A 1 25 ? -57.030 19.169 9.993 1.00 81.50 ? 52 VAL A O 1 ATOM 152 C CB . VAL A 1 25 ? -59.087 17.081 11.544 1.00 90.02 ? 52 VAL A CB 1 ATOM 153 C CG1 . VAL A 1 25 ? -60.374 16.269 11.474 1.00 90.83 ? 52 VAL A CG1 1 ATOM 154 C CG2 . VAL A 1 25 ? -57.874 16.197 11.236 1.00 89.67 ? 52 VAL A CG2 1 ATOM 155 N N . CYS A 1 26 ? -57.972 19.986 11.865 1.00 84.01 ? 53 CYS A N 1 ATOM 156 C CA . CYS A 1 26 ? -56.931 20.983 12.136 1.00 84.14 ? 53 CYS A CA 1 ATOM 157 C C . CYS A 1 26 ? -55.483 20.474 12.092 1.00 84.84 ? 53 CYS A C 1 ATOM 158 O O . CYS A 1 26 ? -54.572 21.232 11.747 1.00 83.19 ? 53 CYS A O 1 ATOM 159 C CB . CYS A 1 26 ? -57.214 21.659 13.472 1.00 85.24 ? 53 CYS A CB 1 ATOM 160 S SG . CYS A 1 26 ? -58.779 22.554 13.443 1.00 85.69 ? 53 CYS A SG 1 ATOM 161 N N . ARG A 1 27 ? -55.282 19.201 12.437 1.00 87.31 ? 54 ARG A N 1 ATOM 162 C CA . ARG A 1 27 ? -53.970 18.549 12.332 1.00 88.89 ? 54 ARG A CA 1 ATOM 163 C C . ARG A 1 27 ? -53.413 18.565 10.891 1.00 85.04 ? 54 ARG A C 1 ATOM 164 O O . ARG A 1 27 ? -52.202 18.697 10.697 1.00 83.01 ? 54 ARG A O 1 ATOM 165 C CB . ARG A 1 27 ? -54.043 17.113 12.893 1.00 93.12 ? 54 ARG A CB 1 ATOM 166 C CG . ARG A 1 27 ? -52.717 16.355 12.913 1.00 97.12 ? 54 ARG A CG 1 ATOM 167 C CD . ARG A 1 27 ? -52.732 15.147 13.848 1.00 100.52 ? 54 ARG A CD 1 ATOM 168 N NE . ARG A 1 27 ? -52.350 15.512 15.221 1.00 103.85 ? 54 ARG A NE 1 ATOM 169 C CZ . ARG A 1 27 ? -53.067 15.313 16.336 1.00 106.29 ? 54 ARG A CZ 1 ATOM 170 N NH1 . ARG A 1 27 ? -52.566 15.714 17.504 1.00 107.90 ? 54 ARG A NH1 1 ATOM 171 N NH2 . ARG A 1 27 ? -54.264 14.717 16.323 1.00 106.74 ? 54 ARG A NH2 1 ATOM 172 N N . ASP A 1 28 ? -54.296 18.451 9.896 1.00 82.47 ? 55 ASP A N 1 ATOM 173 C CA . ASP A 1 28 ? -53.900 18.550 8.485 1.00 80.57 ? 55 ASP A CA 1 ATOM 174 C C . ASP A 1 28 ? -53.408 19.968 8.165 1.00 78.15 ? 55 ASP A C 1 ATOM 175 O O . ASP A 1 28 ? -54.097 20.945 8.451 1.00 78.38 ? 55 ASP A O 1 ATOM 176 C CB . ASP A 1 28 ? -55.059 18.174 7.555 1.00 80.70 ? 55 ASP A CB 1 ATOM 177 C CG . ASP A 1 28 ? -55.422 16.698 7.633 1.00 82.07 ? 55 ASP A CG 1 ATOM 178 O OD1 . ASP A 1 28 ? -54.863 15.900 6.852 1.00 83.60 ? 55 ASP A OD1 1 ATOM 179 O OD2 . ASP A 1 28 ? -56.282 16.336 8.459 1.00 83.97 ? 55 ASP A OD2 1 ATOM 180 N N . LYS A 1 29 ? -52.218 20.063 7.575 1.00 75.05 ? 56 LYS A N 1 ATOM 181 C CA . LYS A 1 29 ? -51.546 21.336 7.369 1.00 73.90 ? 56 LYS A CA 1 ATOM 182 C C . LYS A 1 29 ? -51.283 21.610 5.879 1.00 70.30 ? 56 LYS A C 1 ATOM 183 O O . LYS A 1 29 ? -50.600 20.838 5.211 1.00 70.31 ? 56 LYS A O 1 ATOM 184 C CB . LYS A 1 29 ? -50.237 21.347 8.159 1.00 76.60 ? 56 LYS A CB 1 ATOM 185 C CG . LYS A 1 29 ? -49.570 22.713 8.237 1.00 79.20 ? 56 LYS A CG 1 ATOM 186 C CD . LYS A 1 29 ? -48.732 22.866 9.498 1.00 82.38 ? 56 LYS A CD 1 ATOM 187 C CE . LYS A 1 29 ? -47.956 24.177 9.481 1.00 84.58 ? 56 LYS A CE 1 ATOM 188 N NZ . LYS A 1 29 ? -47.138 24.378 10.710 1.00 86.26 ? 56 LYS A NZ 1 ATOM 189 N N . LEU A 1 30 ? -51.854 22.701 5.368 1.00 66.75 ? 57 LEU A N 1 ATOM 190 C CA . LEU A 1 30 ? -51.556 23.215 4.028 1.00 63.52 ? 57 LEU A CA 1 ATOM 191 C C . LEU A 1 30 ? -50.864 24.560 4.190 1.00 62.38 ? 57 LEU A C 1 ATOM 192 O O . LEU A 1 30 ? -51.523 25.591 4.274 1.00 62.03 ? 57 LEU A O 1 ATOM 193 C CB . LEU A 1 30 ? -52.839 23.378 3.207 1.00 61.87 ? 57 LEU A CB 1 ATOM 194 C CG . LEU A 1 30 ? -52.684 23.947 1.792 1.00 60.30 ? 57 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 30 ? -51.771 23.080 0.943 1.00 59.40 ? 57 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 30 ? -54.049 24.079 1.138 1.00 60.09 ? 57 LEU A CD2 1 ATOM 197 N N . SER A 1 31 ? -49.535 24.537 4.244 1.00 61.11 ? 58 SER A N 1 ATOM 198 C CA . SER A 1 31 ? -48.750 25.735 4.515 1.00 61.12 ? 58 SER A CA 1 ATOM 199 C C . SER A 1 31 ? -48.245 26.443 3.253 1.00 58.77 ? 58 SER A C 1 ATOM 200 O O . SER A 1 31 ? -47.597 27.487 3.349 1.00 58.56 ? 58 SER A O 1 ATOM 201 C CB . SER A 1 31 ? -47.582 25.374 5.434 1.00 63.23 ? 58 SER A CB 1 ATOM 202 O OG . SER A 1 31 ? -46.768 24.392 4.829 1.00 64.64 ? 58 SER A OG 1 ATOM 203 N N . SER A 1 32 ? -48.549 25.891 2.081 1.00 56.97 ? 59 SER A N 1 ATOM 204 C CA . SER A 1 32 ? -48.076 26.442 0.813 1.00 56.11 ? 59 SER A CA 1 ATOM 205 C C . SER A 1 32 ? -48.798 25.806 -0.369 1.00 54.56 ? 59 SER A C 1 ATOM 206 O O . SER A 1 32 ? -49.159 24.630 -0.306 1.00 53.04 ? 59 SER A O 1 ATOM 207 C CB . SER A 1 32 ? -46.574 26.202 0.684 1.00 56.78 ? 59 SER A CB 1 ATOM 208 O OG . SER A 1 32 ? -46.146 26.308 -0.657 1.00 56.78 ? 59 SER A OG 1 ATOM 209 N N . THR A 1 33 ? -48.982 26.576 -1.446 1.00 54.20 ? 60 THR A N 1 ATOM 210 C CA . THR A 1 33 ? -49.543 26.036 -2.700 1.00 54.21 ? 60 THR A CA 1 ATOM 211 C C . THR A 1 33 ? -48.652 24.972 -3.372 1.00 54.77 ? 60 THR A C 1 ATOM 212 O O . THR A 1 33 ? -49.154 24.177 -4.149 1.00 54.12 ? 60 THR A O 1 ATOM 213 C CB . THR A 1 33 ? -49.894 27.136 -3.732 1.00 53.97 ? 60 THR A CB 1 ATOM 214 O OG1 . THR A 1 33 ? -48.842 28.104 -3.808 1.00 55.50 ? 60 THR A OG1 1 ATOM 215 C CG2 . THR A 1 33 ? -51.170 27.842 -3.348 1.00 54.17 ? 60 THR A CG2 1 ATOM 216 N N . ASN A 1 34 ? -47.355 24.947 -3.060 1.00 56.84 ? 61 ASN A N 1 ATOM 217 C CA . ASN A 1 34 ? -46.454 23.846 -3.462 1.00 58.10 ? 61 ASN A CA 1 ATOM 218 C C . ASN A 1 34 ? -46.934 22.462 -3.056 1.00 56.53 ? 61 ASN A C 1 ATOM 219 O O . ASN A 1 34 ? -46.670 21.497 -3.752 1.00 57.13 ? 61 ASN A O 1 ATOM 220 C CB . ASN A 1 34 ? -45.055 24.032 -2.859 1.00 61.63 ? 61 ASN A CB 1 ATOM 221 C CG . ASN A 1 34 ? -44.310 25.217 -3.447 1.00 64.40 ? 61 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 34 ? -44.538 25.611 -4.598 1.00 66.04 ? 61 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 34 ? -43.404 25.794 -2.657 1.00 67.20 ? 61 ASN A ND2 1 ATOM 224 N N . GLN A 1 35 ? -47.605 22.363 -1.915 1.00 55.84 ? 62 GLN A N 1 ATOM 225 C CA . GLN A 1 35 ? -48.170 21.092 -1.461 1.00 55.26 ? 62 GLN A CA 1 ATOM 226 C C . GLN A 1 35 ? -49.293 20.565 -2.356 1.00 54.00 ? 62 GLN A C 1 ATOM 227 O O . GLN A 1 35 ? -49.579 19.371 -2.329 1.00 53.48 ? 62 GLN A O 1 ATOM 228 C CB . GLN A 1 35 ? -48.686 21.209 -0.024 1.00 55.78 ? 62 GLN A CB 1 ATOM 229 C CG . GLN A 1 35 ? -47.593 21.382 1.015 1.00 56.75 ? 62 GLN A CG 1 ATOM 230 C CD . GLN A 1 35 ? -48.155 21.604 2.396 1.00 57.85 ? 62 GLN A CD 1 ATOM 231 O OE1 . GLN A 1 35 ? -47.861 22.609 3.047 1.00 58.88 ? 62 GLN A OE1 1 ATOM 232 N NE2 . GLN A 1 35 ? -48.984 20.676 2.850 1.00 58.24 ? 62 GLN A NE2 1 ATOM 233 N N . LEU A 1 36 ? -49.934 21.453 -3.118 1.00 53.44 ? 63 LEU A N 1 ATOM 234 C CA . LEU A 1 36 ? -50.979 21.065 -4.060 1.00 52.98 ? 63 LEU A CA 1 ATOM 235 C C . LEU A 1 36 ? -50.382 20.572 -5.382 1.00 52.87 ? 63 LEU A C 1 ATOM 236 O O . LEU A 1 36 ? -49.475 21.196 -5.926 1.00 52.87 ? 63 LEU A O 1 ATOM 237 C CB . LEU A 1 36 ? -51.953 22.226 -4.285 1.00 52.46 ? 63 LEU A CB 1 ATOM 238 C CG . LEU A 1 36 ? -52.652 22.691 -3.000 1.00 53.04 ? 63 LEU A CG 1 ATOM 239 C CD1 . LEU A 1 36 ? -53.493 23.928 -3.245 1.00 53.16 ? 63 LEU A CD1 1 ATOM 240 C CD2 . LEU A 1 36 ? -53.520 21.587 -2.424 1.00 53.35 ? 63 LEU A CD2 1 ATOM 241 N N . ARG A 1 37 ? -50.878 19.434 -5.870 1.00 53.33 ? 64 ARG A N 1 ATOM 242 C CA . ARG A 1 37 ? -50.407 18.839 -7.120 1.00 54.10 ? 64 ARG A CA 1 ATOM 243 C C . ARG A 1 37 ? -51.537 18.261 -7.936 1.00 51.60 ? 64 ARG A C 1 ATOM 244 O O . ARG A 1 37 ? -52.457 17.675 -7.392 1.00 51.37 ? 64 ARG A O 1 ATOM 245 C CB . ARG A 1 37 ? -49.422 17.708 -6.848 1.00 57.41 ? 64 ARG A CB 1 ATOM 246 C CG . ARG A 1 37 ? -48.045 18.171 -6.431 1.00 60.61 ? 64 ARG A CG 1 ATOM 247 C CD . ARG A 1 37 ? -47.221 18.701 -7.595 1.00 61.96 ? 64 ARG A CD 1 ATOM 248 N NE . ARG A 1 37 ? -46.520 19.921 -7.204 1.00 64.69 ? 64 ARG A NE 1 ATOM 249 C CZ . ARG A 1 37 ? -45.510 19.991 -6.333 1.00 67.31 ? 64 ARG A CZ 1 ATOM 250 N NH1 . ARG A 1 37 ? -45.032 18.906 -5.720 1.00 68.29 ? 64 ARG A NH1 1 ATOM 251 N NH2 . ARG A 1 37 ? -44.965 21.177 -6.064 1.00 70.53 ? 64 ARG A NH2 1 ATOM 252 N N . SER A 1 38 ? -51.445 18.425 -9.247 1.00 50.21 ? 65 SER A N 1 ATOM 253 C CA . SER A 1 38 ? -52.267 17.683 -10.188 1.00 49.50 ? 65 SER A CA 1 ATOM 254 C C . SER A 1 38 ? -51.353 16.708 -10.931 1.00 49.40 ? 65 SER A C 1 ATOM 255 O O . SER A 1 38 ? -50.275 17.092 -11.409 1.00 49.48 ? 65 SER A O 1 ATOM 256 C CB . SER A 1 38 ? -52.946 18.633 -11.171 1.00 48.45 ? 65 SER A CB 1 ATOM 257 O OG . SER A 1 38 ? -51.995 19.504 -11.746 1.00 47.89 ? 65 SER A OG 1 ATOM 258 N N . VAL A 1 39 ? -51.780 15.452 -11.018 1.00 48.38 ? 66 VAL A N 1 ATOM 259 C CA . VAL A 1 39 ? -51.014 14.417 -11.698 1.00 48.45 ? 66 VAL A CA 1 ATOM 260 C C . VAL A 1 39 ? -51.883 13.745 -12.760 1.00 47.57 ? 66 VAL A C 1 ATOM 261 O O . VAL A 1 39 ? -53.051 13.447 -12.513 1.00 46.73 ? 66 VAL A O 1 ATOM 262 C CB . VAL A 1 39 ? -50.499 13.360 -10.697 1.00 49.57 ? 66 VAL A CB 1 ATOM 263 C CG1 . VAL A 1 39 ? -49.470 12.453 -11.352 1.00 50.20 ? 66 VAL A CG1 1 ATOM 264 C CG2 . VAL A 1 39 ? -49.887 14.042 -9.481 1.00 50.44 ? 66 VAL A CG2 1 ATOM 265 N N . GLY A 1 40 ? -51.306 13.524 -13.940 1.00 47.46 ? 67 GLY A N 1 ATOM 266 C CA . GLY A 1 40 ? -51.947 12.740 -14.997 1.00 47.11 ? 67 GLY A CA 1 ATOM 267 C C . GLY A 1 40 ? -51.471 11.298 -14.942 1.00 47.55 ? 67 GLY A C 1 ATOM 268 O O . GLY A 1 40 ? -50.268 11.042 -14.890 1.00 47.33 ? 67 GLY A O 1 ATOM 269 N N . LEU A 1 41 ? -52.416 10.362 -14.942 1.00 48.11 ? 68 LEU A N 1 ATOM 270 C CA . LEU A 1 41 ? -52.120 8.927 -14.904 1.00 49.22 ? 68 LEU A CA 1 ATOM 271 C C . LEU A 1 41 ? -52.642 8.269 -16.183 1.00 48.80 ? 68 LEU A C 1 ATOM 272 O O . LEU A 1 41 ? -53.744 8.571 -16.636 1.00 48.81 ? 68 LEU A O 1 ATOM 273 C CB . LEU A 1 41 ? -52.768 8.270 -13.668 1.00 50.05 ? 68 LEU A CB 1 ATOM 274 C CG . LEU A 1 41 ? -52.227 8.582 -12.259 1.00 50.76 ? 68 LEU A CG 1 ATOM 275 C CD1 . LEU A 1 41 ? -50.749 8.237 -12.133 1.00 51.20 ? 68 LEU A CD1 1 ATOM 276 C CD2 . LEU A 1 41 ? -52.475 10.029 -11.845 1.00 50.59 ? 68 LEU A CD2 1 ATOM 277 N N . ASN A 1 42 ? -51.859 7.354 -16.743 1.00 49.04 ? 69 ASN A N 1 ATOM 278 C CA . ASN A 1 42 ? -52.158 6.771 -18.051 1.00 49.16 ? 69 ASN A CA 1 ATOM 279 C C . ASN A 1 42 ? -53.025 5.520 -17.901 1.00 49.71 ? 69 ASN A C 1 ATOM 280 O O . ASN A 1 42 ? -52.760 4.690 -17.046 1.00 49.95 ? 69 ASN A O 1 ATOM 281 C CB . ASN A 1 42 ? -50.848 6.424 -18.788 1.00 49.18 ? 69 ASN A CB 1 ATOM 282 C CG . ASN A 1 42 ? -49.944 7.640 -19.014 1.00 48.55 ? 69 ASN A CG 1 ATOM 283 O OD1 . ASN A 1 42 ? -50.414 8.762 -19.209 1.00 47.62 ? 69 ASN A OD1 1 ATOM 284 N ND2 . ASN A 1 42 ? -48.633 7.412 -19.005 1.00 48.98 ? 69 ASN A ND2 1 ATOM 285 N N . LEU A 1 43 ? -54.041 5.380 -18.752 1.00 50.90 ? 70 LEU A N 1 ATOM 286 C CA . LEU A 1 43 ? -54.918 4.196 -18.747 1.00 52.53 ? 70 LEU A CA 1 ATOM 287 C C . LEU A 1 43 ? -54.169 2.874 -18.895 1.00 53.26 ? 70 LEU A C 1 ATOM 288 O O . LEU A 1 43 ? -54.599 1.861 -18.344 1.00 53.35 ? 70 LEU A O 1 ATOM 289 C CB . LEU A 1 43 ? -55.979 4.286 -19.854 1.00 53.44 ? 70 LEU A CB 1 ATOM 290 C CG . LEU A 1 43 ? -57.056 5.368 -19.767 1.00 53.83 ? 70 LEU A CG 1 ATOM 291 C CD1 . LEU A 1 43 ? -58.141 5.069 -20.790 1.00 54.60 ? 70 LEU A CD1 1 ATOM 292 C CD2 . LEU A 1 43 ? -57.667 5.448 -18.375 1.00 54.20 ? 70 LEU A CD2 1 ATOM 293 N N . GLU A 1 44 ? -53.100 2.880 -19.690 1.00 53.74 ? 71 GLU A N 1 ATOM 294 C CA . GLU A 1 44 ? -52.065 1.844 -19.652 1.00 55.40 ? 71 GLU A CA 1 ATOM 295 C C . GLU A 1 44 ? -51.897 1.189 -18.283 1.00 54.82 ? 71 GLU A C 1 ATOM 296 O O . GLU A 1 44 ? -52.016 -0.024 -18.154 1.00 55.15 ? 71 GLU A O 1 ATOM 297 C CB . GLU A 1 44 ? -50.715 2.464 -19.997 1.00 57.59 ? 71 GLU A CB 1 ATOM 298 C CG . GLU A 1 44 ? -50.154 2.073 -21.332 1.00 59.46 ? 71 GLU A CG 1 ATOM 299 C CD . GLU A 1 44 ? -48.912 2.865 -21.660 1.00 60.84 ? 71 GLU A CD 1 ATOM 300 O OE1 . GLU A 1 44 ? -48.189 3.319 -20.738 1.00 61.12 ? 71 GLU A OE1 1 ATOM 301 O OE2 . GLU A 1 44 ? -48.663 3.047 -22.864 1.00 62.60 ? 71 GLU A OE2 1 ATOM 302 N N . GLY A 1 45 ? -51.625 2.017 -17.271 1.00 53.49 ? 72 GLY A N 1 ATOM 303 C CA . GLY A 1 45 ? -51.329 1.553 -15.916 1.00 53.53 ? 72 GLY A CA 1 ATOM 304 C C . GLY A 1 45 ? -52.475 0.902 -15.161 1.00 53.05 ? 72 GLY A C 1 ATOM 305 O O . GLY A 1 45 ? -52.254 0.330 -14.095 1.00 53.64 ? 72 GLY A O 1 ATOM 306 N N . ASN A 1 46 ? -53.692 1.024 -15.698 1.00 52.11 ? 73 ASN A N 1 ATOM 307 C CA . ASN A 1 46 ? -54.871 0.315 -15.213 1.00 52.37 ? 73 ASN A CA 1 ATOM 308 C C . ASN A 1 46 ? -55.140 -0.999 -15.973 1.00 53.19 ? 73 ASN A C 1 ATOM 309 O O . ASN A 1 46 ? -56.125 -1.690 -15.685 1.00 53.54 ? 73 ASN A O 1 ATOM 310 C CB . ASN A 1 46 ? -56.110 1.218 -15.307 1.00 51.92 ? 73 ASN A CB 1 ATOM 311 C CG . ASN A 1 46 ? -55.946 2.549 -14.583 1.00 51.90 ? 73 ASN A CG 1 ATOM 312 O OD1 . ASN A 1 46 ? -56.656 3.509 -14.884 1.00 52.66 ? 73 ASN A OD1 1 ATOM 313 N ND2 . ASN A 1 46 ? -55.026 2.617 -13.631 1.00 52.61 ? 73 ASN A ND2 1 ATOM 314 N N . GLY A 1 47 ? -54.283 -1.333 -16.943 1.00 53.68 ? 74 GLY A N 1 ATOM 315 C CA . GLY A 1 47 ? -54.358 -2.603 -17.676 1.00 54.55 ? 74 GLY A CA 1 ATOM 316 C C . GLY A 1 47 ? -55.179 -2.620 -18.956 1.00 54.41 ? 74 GLY A C 1 ATOM 317 O O . GLY A 1 47 ? -55.504 -3.696 -19.460 1.00 55.59 ? 74 GLY A O 1 ATOM 318 N N . VAL A 1 48 ? -55.501 -1.457 -19.514 1.00 53.61 ? 75 VAL A N 1 ATOM 319 C CA . VAL A 1 48 ? -56.315 -1.425 -20.740 1.00 53.73 ? 75 VAL A CA 1 ATOM 320 C C . VAL A 1 48 ? -55.499 -1.912 -21.940 1.00 53.60 ? 75 VAL A C 1 ATOM 321 O O . VAL A 1 48 ? -54.267 -1.852 -21.927 1.00 53.33 ? 75 VAL A O 1 ATOM 322 C CB . VAL A 1 48 ? -56.914 -0.031 -21.034 1.00 53.17 ? 75 VAL A CB 1 ATOM 323 C CG1 . VAL A 1 48 ? -57.641 0.510 -19.804 1.00 53.42 ? 75 VAL A CG1 1 ATOM 324 C CG2 . VAL A 1 48 ? -55.845 0.944 -21.522 1.00 52.84 ? 75 VAL A CG2 1 ATOM 325 N N . ALA A 1 49 ? -56.197 -2.396 -22.962 1.00 53.45 ? 76 ALA A N 1 ATOM 326 C CA . ALA A 1 49 ? -55.561 -2.798 -24.208 1.00 53.95 ? 76 ALA A CA 1 ATOM 327 C C . ALA A 1 49 ? -55.026 -1.559 -24.933 1.00 53.77 ? 76 ALA A C 1 ATOM 328 O O . ALA A 1 49 ? -55.757 -0.582 -25.149 1.00 52.93 ? 76 ALA A O 1 ATOM 329 C CB . ALA A 1 49 ? -56.547 -3.548 -25.087 1.00 54.59 ? 76 ALA A CB 1 ATOM 330 N N . THR A 1 50 ? -53.748 -1.605 -25.289 1.00 54.16 ? 77 THR A N 1 ATOM 331 C CA . THR A 1 50 ? -53.059 -0.462 -25.874 1.00 54.00 ? 77 THR A CA 1 ATOM 332 C C . THR A 1 50 ? -52.830 -0.573 -27.385 1.00 54.18 ? 77 THR A C 1 ATOM 333 O O . THR A 1 50 ? -52.375 0.388 -28.002 1.00 54.11 ? 77 THR A O 1 ATOM 334 C CB . THR A 1 50 ? -51.707 -0.240 -25.168 1.00 54.43 ? 77 THR A CB 1 ATOM 335 O OG1 . THR A 1 50 ? -50.788 -1.285 -25.516 1.00 55.50 ? 77 THR A OG1 1 ATOM 336 C CG2 . THR A 1 50 ? -51.899 -0.214 -23.658 1.00 54.08 ? 77 THR A CG2 1 ATOM 337 N N . ASP A 1 51 ? -53.127 -1.732 -27.975 1.00 54.93 ? 78 ASP A N 1 ATOM 338 C CA . ASP A 1 51 ? -53.045 -1.910 -29.434 1.00 55.52 ? 78 ASP A CA 1 ATOM 339 C C . ASP A 1 51 ? -53.989 -0.955 -30.173 1.00 54.89 ? 78 ASP A C 1 ATOM 340 O O . ASP A 1 51 ? -55.071 -0.638 -29.677 1.00 53.86 ? 78 ASP A O 1 ATOM 341 C CB . ASP A 1 51 ? -53.351 -3.364 -29.836 1.00 57.13 ? 78 ASP A CB 1 ATOM 342 C CG . ASP A 1 51 ? -54.760 -3.803 -29.445 1.00 58.23 ? 78 ASP A CG 1 ATOM 343 O OD1 . ASP A 1 51 ? -54.992 -4.085 -28.247 1.00 59.37 ? 78 ASP A OD1 1 ATOM 344 O OD2 . ASP A 1 51 ? -55.637 -3.861 -30.332 1.00 58.84 ? 78 ASP A OD2 1 ATOM 345 N N . VAL A 1 52 ? -53.575 -0.519 -31.361 1.00 55.17 ? 79 VAL A N 1 ATOM 346 C CA . VAL A 1 52 ? -54.307 0.510 -32.110 1.00 55.57 ? 79 VAL A CA 1 ATOM 347 C C . VAL A 1 52 ? -55.786 0.169 -32.334 1.00 56.33 ? 79 VAL A C 1 ATOM 348 O O . VAL A 1 52 ? -56.632 1.039 -32.153 1.00 56.53 ? 79 VAL A O 1 ATOM 349 C CB . VAL A 1 52 ? -53.616 0.863 -33.455 1.00 55.81 ? 79 VAL A CB 1 ATOM 350 C CG1 . VAL A 1 52 ? -54.527 1.713 -34.342 1.00 55.71 ? 79 VAL A CG1 1 ATOM 351 C CG2 . VAL A 1 52 ? -52.308 1.596 -33.199 1.00 55.47 ? 79 VAL A CG2 1 ATOM 352 N N . PRO A 1 53 ? -56.099 -1.079 -32.733 1.00 57.72 ? 80 PRO A N 1 ATOM 353 C CA . PRO A 1 53 ? -57.505 -1.461 -32.922 1.00 58.82 ? 80 PRO A CA 1 ATOM 354 C C . PRO A 1 53 ? -58.369 -1.327 -31.675 1.00 58.95 ? 80 PRO A C 1 ATOM 355 O O . PRO A 1 53 ? -59.483 -0.816 -31.756 1.00 59.62 ? 80 PRO A O 1 ATOM 356 C CB . PRO A 1 53 ? -57.414 -2.930 -33.338 1.00 59.81 ? 80 PRO A CB 1 ATOM 357 C CG . PRO A 1 53 ? -56.097 -3.023 -34.015 1.00 59.89 ? 80 PRO A CG 1 ATOM 358 C CD . PRO A 1 53 ? -55.192 -2.132 -33.222 1.00 58.65 ? 80 PRO A CD 1 ATOM 359 N N . SER A 1 54 ? -57.853 -1.788 -30.540 1.00 59.21 ? 81 SER A N 1 ATOM 360 C CA . SER A 1 54 ? -58.585 -1.727 -29.278 1.00 58.96 ? 81 SER A CA 1 ATOM 361 C C . SER A 1 54 ? -58.667 -0.293 -28.772 1.00 58.40 ? 81 SER A C 1 ATOM 362 O O . SER A 1 54 ? -59.702 0.127 -28.254 1.00 58.46 ? 81 SER A O 1 ATOM 363 C CB . SER A 1 54 ? -57.914 -2.615 -28.237 1.00 59.17 ? 81 SER A CB 1 ATOM 364 O OG . SER A 1 54 ? -57.846 -3.953 -28.702 1.00 60.65 ? 81 SER A OG 1 ATOM 365 N N . ALA A 1 55 ? -57.578 0.453 -28.948 1.00 58.01 ? 82 ALA A N 1 ATOM 366 C CA . ALA A 1 55 ? -57.481 1.821 -28.463 1.00 57.07 ? 82 ALA A CA 1 ATOM 367 C C . ALA A 1 55 ? -58.418 2.769 -29.201 1.00 57.37 ? 82 ALA A C 1 ATOM 368 O O . ALA A 1 55 ? -59.098 3.592 -28.576 1.00 56.96 ? 82 ALA A O 1 ATOM 369 C CB . ALA A 1 55 ? -56.052 2.312 -28.568 1.00 56.82 ? 82 ALA A CB 1 ATOM 370 N N . THR A 1 56 ? -58.460 2.657 -30.523 1.00 57.87 ? 83 THR A N 1 ATOM 371 C CA . THR A 1 56 ? -59.312 3.542 -31.323 1.00 58.19 ? 83 THR A CA 1 ATOM 372 C C . THR A 1 56 ? -60.804 3.291 -31.103 1.00 58.65 ? 83 THR A C 1 ATOM 373 O O . THR A 1 56 ? -61.600 4.225 -31.196 1.00 57.63 ? 83 THR A O 1 ATOM 374 C CB . THR A 1 56 ? -58.987 3.458 -32.821 1.00 58.37 ? 83 THR A CB 1 ATOM 375 O OG1 . THR A 1 56 ? -58.963 2.087 -33.226 1.00 60.15 ? 83 THR A OG1 1 ATOM 376 C CG2 . THR A 1 56 ? -57.638 4.096 -33.104 1.00 58.04 ? 83 THR A CG2 1 ATOM 377 N N . LYS A 1 57 ? -61.178 2.053 -30.779 1.00 59.80 ? 84 LYS A N 1 ATOM 378 C CA . LYS A 1 57 ? -62.579 1.751 -30.457 1.00 61.39 ? 84 LYS A CA 1 ATOM 379 C C . LYS A 1 57 ? -63.120 2.526 -29.233 1.00 59.06 ? 84 LYS A C 1 ATOM 380 O O . LYS A 1 57 ? -64.338 2.679 -29.102 1.00 59.30 ? 84 LYS A O 1 ATOM 381 C CB . LYS A 1 57 ? -62.809 0.237 -30.296 1.00 64.84 ? 84 LYS A CB 1 ATOM 382 C CG . LYS A 1 57 ? -62.931 -0.522 -31.618 1.00 68.05 ? 84 LYS A CG 1 ATOM 383 C CD . LYS A 1 57 ? -63.744 -1.805 -31.480 1.00 71.93 ? 84 LYS A CD 1 ATOM 384 C CE . LYS A 1 57 ? -62.925 -2.967 -30.931 1.00 74.10 ? 84 LYS A CE 1 ATOM 385 N NZ . LYS A 1 57 ? -62.256 -3.736 -32.027 1.00 75.78 ? 84 LYS A NZ 1 ATOM 386 N N . ARG A 1 58 ? -62.228 3.026 -28.368 1.00 56.11 ? 85 ARG A N 1 ATOM 387 C CA . ARG A 1 58 ? -62.609 3.890 -27.233 1.00 53.98 ? 85 ARG A CA 1 ATOM 388 C C . ARG A 1 58 ? -62.915 5.358 -27.586 1.00 52.87 ? 85 ARG A C 1 ATOM 389 O O . ARG A 1 58 ? -63.344 6.117 -26.707 1.00 52.10 ? 85 ARG A O 1 ATOM 390 C CB . ARG A 1 58 ? -61.519 3.871 -26.145 1.00 52.69 ? 85 ARG A CB 1 ATOM 391 C CG . ARG A 1 58 ? -61.249 2.499 -25.551 1.00 52.79 ? 85 ARG A CG 1 ATOM 392 C CD . ARG A 1 58 ? -60.405 2.568 -24.291 1.00 52.10 ? 85 ARG A CD 1 ATOM 393 N NE . ARG A 1 58 ? -58.970 2.712 -24.552 1.00 51.19 ? 85 ARG A NE 1 ATOM 394 C CZ . ARG A 1 58 ? -58.102 1.709 -24.701 1.00 51.72 ? 85 ARG A CZ 1 ATOM 395 N NH1 . ARG A 1 58 ? -56.818 1.983 -24.904 1.00 51.67 ? 85 ARG A NH1 1 ATOM 396 N NH2 . ARG A 1 58 ? -58.485 0.434 -24.663 1.00 52.88 ? 85 ARG A NH2 1 ATOM 397 N N . TRP A 1 59 ? -62.675 5.774 -28.832 1.00 52.06 ? 86 TRP A N 1 ATOM 398 C CA . TRP A 1 59 ? -62.877 7.169 -29.224 1.00 51.55 ? 86 TRP A CA 1 ATOM 399 C C . TRP A 1 59 ? -64.043 7.258 -30.197 1.00 52.28 ? 86 TRP A C 1 ATOM 400 O O . TRP A 1 59 ? -64.428 6.262 -30.788 1.00 53.95 ? 86 TRP A O 1 ATOM 401 C CB . TRP A 1 59 ? -61.589 7.771 -29.815 1.00 50.93 ? 86 TRP A CB 1 ATOM 402 C CG . TRP A 1 59 ? -60.357 7.407 -29.032 1.00 50.19 ? 86 TRP A CG 1 ATOM 403 C CD1 . TRP A 1 59 ? -60.260 7.276 -27.681 1.00 50.16 ? 86 TRP A CD1 1 ATOM 404 C CD2 . TRP A 1 59 ? -59.059 7.120 -29.554 1.00 50.23 ? 86 TRP A CD2 1 ATOM 405 N NE1 . TRP A 1 59 ? -58.989 6.910 -27.327 1.00 50.17 ? 86 TRP A NE1 1 ATOM 406 C CE2 . TRP A 1 59 ? -58.227 6.810 -28.459 1.00 50.50 ? 86 TRP A CE2 1 ATOM 407 C CE3 . TRP A 1 59 ? -58.514 7.093 -30.842 1.00 50.81 ? 86 TRP A CE3 1 ATOM 408 C CZ2 . TRP A 1 59 ? -56.873 6.473 -28.612 1.00 50.94 ? 86 TRP A CZ2 1 ATOM 409 C CZ3 . TRP A 1 59 ? -57.168 6.753 -30.994 1.00 50.91 ? 86 TRP A CZ3 1 ATOM 410 C CH2 . TRP A 1 59 ? -56.366 6.447 -29.883 1.00 50.65 ? 86 TRP A CH2 1 ATOM 411 N N . GLY A 1 60 ? -64.626 8.445 -30.333 1.00 52.12 ? 87 GLY A N 1 ATOM 412 C CA . GLY A 1 60 ? -65.793 8.638 -31.191 1.00 52.40 ? 87 GLY A CA 1 ATOM 413 C C . GLY A 1 60 ? -66.158 10.093 -31.404 1.00 52.25 ? 87 GLY A C 1 ATOM 414 O O . GLY A 1 60 ? -65.896 10.939 -30.551 1.00 51.34 ? 87 GLY A O 1 ATOM 415 N N . PHE A 1 61 ? -66.791 10.369 -32.541 1.00 53.26 ? 88 PHE A N 1 ATOM 416 C CA . PHE A 1 61 ? -67.139 11.732 -32.938 1.00 53.28 ? 88 PHE A CA 1 ATOM 417 C C . PHE A 1 61 ? -68.516 12.156 -32.436 1.00 53.11 ? 88 PHE A C 1 ATOM 418 O O . PHE A 1 61 ? -69.428 11.344 -32.339 1.00 53.84 ? 88 PHE A O 1 ATOM 419 C CB . PHE A 1 61 ? -67.031 11.881 -34.456 1.00 54.21 ? 88 PHE A CB 1 ATOM 420 C CG . PHE A 1 61 ? -65.621 11.796 -34.958 1.00 54.55 ? 88 PHE A CG 1 ATOM 421 C CD1 . PHE A 1 61 ? -65.042 10.563 -35.251 1.00 55.29 ? 88 PHE A CD1 1 ATOM 422 C CD2 . PHE A 1 61 ? -64.851 12.949 -35.108 1.00 54.16 ? 88 PHE A CD2 1 ATOM 423 C CE1 . PHE A 1 61 ? -63.724 10.485 -35.702 1.00 55.20 ? 88 PHE A CE1 1 ATOM 424 C CE2 . PHE A 1 61 ? -63.537 12.875 -35.563 1.00 54.10 ? 88 PHE A CE2 1 ATOM 425 C CZ . PHE A 1 61 ? -62.972 11.640 -35.858 1.00 54.30 ? 88 PHE A CZ 1 ATOM 426 N N . ARG A 1 62 ? -68.647 13.441 -32.116 1.00 52.95 ? 89 ARG A N 1 ATOM 427 C CA . ARG A 1 62 ? -69.865 13.984 -31.506 1.00 53.54 ? 89 ARG A CA 1 ATOM 428 C C . ARG A 1 62 ? -69.899 15.481 -31.707 1.00 53.76 ? 89 ARG A C 1 ATOM 429 O O . ARG A 1 62 ? -68.868 16.140 -31.583 1.00 54.97 ? 89 ARG A O 1 ATOM 430 C CB . ARG A 1 62 ? -69.879 13.667 -30.005 1.00 52.95 ? 89 ARG A CB 1 ATOM 431 C CG . ARG A 1 62 ? -70.897 14.406 -29.147 1.00 52.47 ? 89 ARG A CG 1 ATOM 432 C CD . ARG A 1 62 ? -72.321 14.022 -29.490 1.00 53.39 ? 89 ARG A CD 1 ATOM 433 N NE . ARG A 1 62 ? -73.278 14.903 -28.825 1.00 53.18 ? 89 ARG A NE 1 ATOM 434 C CZ . ARG A 1 62 ? -73.627 14.828 -27.543 1.00 52.65 ? 89 ARG A CZ 1 ATOM 435 N NH1 . ARG A 1 62 ? -74.518 15.691 -27.058 1.00 52.68 ? 89 ARG A NH1 1 ATOM 436 N NH2 . ARG A 1 62 ? -73.097 13.903 -26.735 1.00 52.41 ? 89 ARG A NH2 1 ATOM 437 N N . SER A 1 63 ? -71.085 16.009 -31.998 1.00 54.37 ? 90 SER A N 1 ATOM 438 C CA . SER A 1 63 ? -71.282 17.440 -32.187 1.00 54.25 ? 90 SER A CA 1 ATOM 439 C C . SER A 1 63 ? -72.087 18.018 -31.036 1.00 53.90 ? 90 SER A C 1 ATOM 440 O O . SER A 1 63 ? -72.755 17.289 -30.298 1.00 53.43 ? 90 SER A O 1 ATOM 441 C CB . SER A 1 63 ? -71.997 17.695 -33.512 1.00 55.86 ? 90 SER A CB 1 ATOM 442 O OG . SER A 1 63 ? -71.200 17.285 -34.610 1.00 56.04 ? 90 SER A OG 1 ATOM 443 N N . GLY A 1 64 ? -71.999 19.337 -30.881 1.00 53.72 ? 91 GLY A N 1 ATOM 444 C CA . GLY A 1 64 ? -72.757 20.060 -29.864 1.00 54.06 ? 91 GLY A CA 1 ATOM 445 C C . GLY A 1 64 ? -72.107 20.215 -28.502 1.00 53.39 ? 91 GLY A C 1 ATOM 446 O O . GLY A 1 64 ? -72.612 20.974 -27.679 1.00 55.11 ? 91 GLY A O 1 ATOM 447 N N . VAL A 1 65 ? -71.008 19.504 -28.250 1.00 52.47 ? 92 VAL A N 1 ATOM 448 C CA . VAL A 1 65 ? -70.297 19.578 -26.975 1.00 51.63 ? 92 VAL A CA 1 ATOM 449 C C . VAL A 1 65 ? -69.032 20.410 -27.177 1.00 50.99 ? 92 VAL A C 1 ATOM 450 O O . VAL A 1 65 ? -68.161 20.007 -27.962 1.00 51.43 ? 92 VAL A O 1 ATOM 451 C CB . VAL A 1 65 ? -69.919 18.174 -26.469 1.00 51.26 ? 92 VAL A CB 1 ATOM 452 C CG1 . VAL A 1 65 ? -69.098 18.252 -25.180 1.00 49.71 ? 92 VAL A CG1 1 ATOM 453 C CG2 . VAL A 1 65 ? -71.183 17.342 -26.284 1.00 52.21 ? 92 VAL A CG2 1 ATOM 454 N N . PRO A 1 66 ? -68.924 21.572 -26.494 1.00 50.39 ? 93 PRO A N 1 ATOM 455 C CA . PRO A 1 66 ? -67.694 22.363 -26.639 1.00 49.79 ? 93 PRO A CA 1 ATOM 456 C C . PRO A 1 66 ? -66.477 21.703 -25.985 1.00 48.79 ? 93 PRO A C 1 ATOM 457 O O . PRO A 1 66 ? -66.572 21.238 -24.846 1.00 47.97 ? 93 PRO A O 1 ATOM 458 C CB . PRO A 1 66 ? -68.029 23.677 -25.928 1.00 49.63 ? 93 PRO A CB 1 ATOM 459 C CG . PRO A 1 66 ? -69.510 23.748 -25.943 1.00 50.44 ? 93 PRO A CG 1 ATOM 460 C CD . PRO A 1 66 ? -69.957 22.329 -25.768 1.00 50.52 ? 93 PRO A CD 1 ATOM 461 N N . PRO A 1 67 ? -65.333 21.659 -26.695 1.00 48.83 ? 94 PRO A N 1 ATOM 462 C CA . PRO A 1 67 ? -64.141 21.078 -26.048 1.00 48.38 ? 94 PRO A CA 1 ATOM 463 C C . PRO A 1 67 ? -63.708 21.821 -24.767 1.00 47.35 ? 94 PRO A C 1 ATOM 464 O O . PRO A 1 67 ? -64.026 22.999 -24.586 1.00 46.97 ? 94 PRO A O 1 ATOM 465 C CB . PRO A 1 67 ? -63.061 21.155 -27.143 1.00 47.74 ? 94 PRO A CB 1 ATOM 466 C CG . PRO A 1 67 ? -63.579 22.132 -28.143 1.00 48.42 ? 94 PRO A CG 1 ATOM 467 C CD . PRO A 1 67 ? -65.070 22.033 -28.096 1.00 48.84 ? 94 PRO A CD 1 ATOM 468 N N . LYS A 1 68 ? -63.035 21.109 -23.873 1.00 46.18 ? 95 LYS A N 1 ATOM 469 C CA . LYS A 1 68 ? -62.550 21.697 -22.645 1.00 46.25 ? 95 LYS A CA 1 ATOM 470 C C . LYS A 1 68 ? -61.152 21.212 -22.351 1.00 46.30 ? 95 LYS A C 1 ATOM 471 O O . LYS A 1 68 ? -60.819 20.061 -22.618 1.00 46.59 ? 95 LYS A O 1 ATOM 472 C CB . LYS A 1 68 ? -63.495 21.372 -21.487 1.00 46.43 ? 95 LYS A CB 1 ATOM 473 C CG . LYS A 1 68 ? -64.838 22.081 -21.566 1.00 47.28 ? 95 LYS A CG 1 ATOM 474 C CD . LYS A 1 68 ? -64.695 23.572 -21.279 1.00 48.06 ? 95 LYS A CD 1 ATOM 475 C CE . LYS A 1 68 ? -65.869 24.381 -21.787 1.00 48.82 ? 95 LYS A CE 1 ATOM 476 N NZ . LYS A 1 68 ? -67.153 23.905 -21.210 1.00 49.88 ? 95 LYS A NZ 1 ATOM 477 N N . VAL A 1 69 ? -60.340 22.115 -21.810 1.00 47.01 ? 96 VAL A N 1 ATOM 478 C CA . VAL A 1 69 ? -58.956 21.840 -21.468 1.00 47.11 ? 96 VAL A CA 1 ATOM 479 C C . VAL A 1 69 ? -58.720 22.196 -19.999 1.00 47.51 ? 96 VAL A C 1 ATOM 480 O O . VAL A 1 69 ? -59.171 23.251 -19.517 1.00 47.28 ? 96 VAL A O 1 ATOM 481 C CB . VAL A 1 69 ? -57.999 22.634 -22.378 1.00 47.50 ? 96 VAL A CB 1 ATOM 482 C CG1 . VAL A 1 69 ? -56.550 22.509 -21.910 1.00 47.59 ? 96 VAL A CG1 1 ATOM 483 C CG2 . VAL A 1 69 ? -58.140 22.141 -23.814 1.00 47.95 ? 96 VAL A CG2 1 ATOM 484 N N . VAL A 1 70 ? -58.027 21.293 -19.306 1.00 46.70 ? 97 VAL A N 1 ATOM 485 C CA . VAL A 1 70 ? -57.564 21.498 -17.936 1.00 46.20 ? 97 VAL A CA 1 ATOM 486 C C . VAL A 1 70 ? -56.093 21.151 -17.916 1.00 46.44 ? 97 VAL A C 1 ATOM 487 O O . VAL A 1 70 ? -55.670 20.246 -18.647 1.00 45.87 ? 97 VAL A O 1 ATOM 488 C CB . VAL A 1 70 ? -58.311 20.601 -16.937 1.00 46.24 ? 97 VAL A CB 1 ATOM 489 C CG1 . VAL A 1 70 ? -58.017 19.121 -17.171 1.00 46.53 ? 97 VAL A CG1 1 ATOM 490 C CG2 . VAL A 1 70 ? -57.971 20.985 -15.508 1.00 46.06 ? 97 VAL A CG2 1 ATOM 491 N N . ASN A 1 71 ? -55.307 21.844 -17.093 1.00 46.16 ? 98 ASN A N 1 ATOM 492 C CA . ASN A 1 71 ? -53.889 21.540 -17.044 1.00 46.86 ? 98 ASN A CA 1 ATOM 493 C C . ASN A 1 71 ? -53.588 20.555 -15.924 1.00 45.98 ? 98 ASN A C 1 ATOM 494 O O . ASN A 1 71 ? -54.397 20.357 -15.029 1.00 45.77 ? 98 ASN A O 1 ATOM 495 C CB . ASN A 1 71 ? -53.044 22.812 -16.949 1.00 48.64 ? 98 ASN A CB 1 ATOM 496 C CG . ASN A 1 71 ? -52.898 23.299 -15.549 1.00 49.41 ? 98 ASN A CG 1 ATOM 497 O OD1 . ASN A 1 71 ? -53.878 23.707 -14.944 1.00 51.35 ? 98 ASN A OD1 1 ATOM 498 N ND2 . ASN A 1 71 ? -51.683 23.242 -15.011 1.00 49.65 ? 98 ASN A ND2 1 ATOM 499 N N . TYR A 1 72 ? -52.437 19.901 -16.039 1.00 46.17 ? 99 TYR A N 1 ATOM 500 C CA . TYR A 1 72 ? -51.905 19.025 -15.007 1.00 46.69 ? 99 TYR A CA 1 ATOM 501 C C . TYR A 1 72 ? -50.377 19.196 -14.991 1.00 47.00 ? 99 TYR A C 1 ATOM 502 O O . TYR A 1 72 ? -49.769 19.403 -16.031 1.00 46.76 ? 99 TYR A O 1 ATOM 503 C CB . TYR A 1 72 ? -52.354 17.572 -15.243 1.00 47.39 ? 99 TYR A CB 1 ATOM 504 C CG . TYR A 1 72 ? -51.750 16.909 -16.460 1.00 47.79 ? 99 TYR A CG 1 ATOM 505 C CD1 . TYR A 1 72 ? -52.288 17.104 -17.739 1.00 47.99 ? 99 TYR A CD1 1 ATOM 506 C CD2 . TYR A 1 72 ? -50.637 16.091 -16.335 1.00 48.39 ? 99 TYR A CD2 1 ATOM 507 C CE1 . TYR A 1 72 ? -51.719 16.499 -18.856 1.00 48.22 ? 99 TYR A CE1 1 ATOM 508 C CE2 . TYR A 1 72 ? -50.056 15.489 -17.441 1.00 49.08 ? 99 TYR A CE2 1 ATOM 509 C CZ . TYR A 1 72 ? -50.601 15.692 -18.697 1.00 48.53 ? 99 TYR A CZ 1 ATOM 510 O OH . TYR A 1 72 ? -50.019 15.083 -19.775 1.00 48.35 ? 99 TYR A OH 1 ATOM 511 N N . GLU A 1 73 ? -49.772 19.134 -13.807 1.00 47.86 ? 100 GLU A N 1 ATOM 512 C CA . GLU A 1 73 ? -48.382 19.576 -13.603 1.00 48.01 ? 100 GLU A CA 1 ATOM 513 C C . GLU A 1 73 ? -47.333 18.498 -13.781 1.00 47.96 ? 100 GLU A C 1 ATOM 514 O O . GLU A 1 73 ? -46.172 18.818 -14.026 1.00 49.42 ? 100 GLU A O 1 ATOM 515 C CB . GLU A 1 73 ? -48.210 20.141 -12.204 1.00 49.08 ? 100 GLU A CB 1 ATOM 516 C CG . GLU A 1 73 ? -49.079 21.351 -11.885 1.00 49.51 ? 100 GLU A CG 1 ATOM 517 C CD . GLU A 1 73 ? -49.208 21.604 -10.389 1.00 50.76 ? 100 GLU A CD 1 ATOM 518 O OE1 . GLU A 1 73 ? -49.304 22.780 -9.986 1.00 52.32 ? 100 GLU A OE1 1 ATOM 519 O OE2 . GLU A 1 73 ? -49.220 20.627 -9.611 1.00 51.33 ? 100 GLU A OE2 1 ATOM 520 N N . ALA A 1 74 ? -47.728 17.239 -13.616 1.00 47.12 ? 101 ALA A N 1 ATOM 521 C CA . ALA A 1 74 ? -46.814 16.100 -13.734 1.00 46.97 ? 101 ALA A CA 1 ATOM 522 C C . ALA A 1 74 ? -47.521 14.920 -14.381 1.00 46.14 ? 101 ALA A C 1 ATOM 523 O O . ALA A 1 74 ? -48.722 14.728 -14.200 1.00 45.33 ? 101 ALA A O 1 ATOM 524 C CB . ALA A 1 74 ? -46.302 15.701 -12.363 1.00 47.68 ? 101 ALA A CB 1 ATOM 525 N N . GLY A 1 75 ? -46.773 14.119 -15.125 1.00 45.92 ? 102 GLY A N 1 ATOM 526 C CA . GLY A 1 75 ? -47.353 12.951 -15.771 1.00 46.03 ? 102 GLY A CA 1 ATOM 527 C C . GLY A 1 75 ? -46.500 11.720 -15.646 1.00 46.42 ? 102 GLY A C 1 ATOM 528 O O . GLY A 1 75 ? -45.474 11.717 -14.959 1.00 46.50 ? 102 GLY A O 1 ATOM 529 N N . GLU A 1 76 ? -46.952 10.679 -16.329 1.00 46.58 ? 103 GLU A N 1 ATOM 530 C CA . GLU A 1 76 ? -46.338 9.363 -16.289 1.00 48.11 ? 103 GLU A CA 1 ATOM 531 C C . GLU A 1 76 ? -45.739 9.061 -17.653 1.00 48.23 ? 103 GLU A C 1 ATOM 532 O O . GLU A 1 76 ? -46.329 9.396 -18.678 1.00 48.72 ? 103 GLU A O 1 ATOM 533 C CB . GLU A 1 76 ? -47.415 8.341 -15.938 1.00 48.37 ? 103 GLU A CB 1 ATOM 534 C CG . GLU A 1 76 ? -46.968 6.888 -15.905 1.00 49.60 ? 103 GLU A CG 1 ATOM 535 C CD . GLU A 1 76 ? -48.044 5.953 -15.365 1.00 49.92 ? 103 GLU A CD 1 ATOM 536 O OE1 . GLU A 1 76 ? -47.704 4.796 -15.040 1.00 51.16 ? 103 GLU A OE1 1 ATOM 537 O OE2 . GLU A 1 76 ? -49.230 6.355 -15.252 1.00 48.76 ? 103 GLU A OE2 1 ATOM 538 N N . TRP A 1 77 ? -44.579 8.415 -17.667 1.00 48.55 ? 104 TRP A N 1 ATOM 539 C CA . TRP A 1 77 ? -43.949 7.976 -18.918 1.00 48.14 ? 104 TRP A CA 1 ATOM 540 C C . TRP A 1 77 ? -44.843 6.902 -19.518 1.00 48.03 ? 104 TRP A C 1 ATOM 541 O O . TRP A 1 77 ? -45.214 5.959 -18.824 1.00 48.21 ? 104 TRP A O 1 ATOM 542 C CB . TRP A 1 77 ? -42.569 7.366 -18.658 1.00 48.84 ? 104 TRP A CB 1 ATOM 543 C CG . TRP A 1 77 ? -41.500 8.330 -18.265 1.00 48.84 ? 104 TRP A CG 1 ATOM 544 C CD1 . TRP A 1 77 ? -41.550 9.285 -17.282 1.00 48.58 ? 104 TRP A CD1 1 ATOM 545 C CD2 . TRP A 1 77 ? -40.198 8.408 -18.827 1.00 49.28 ? 104 TRP A CD2 1 ATOM 546 N NE1 . TRP A 1 77 ? -40.363 9.961 -17.217 1.00 49.01 ? 104 TRP A NE1 1 ATOM 547 C CE2 . TRP A 1 77 ? -39.511 9.443 -18.153 1.00 49.55 ? 104 TRP A CE2 1 ATOM 548 C CE3 . TRP A 1 77 ? -39.541 7.707 -19.841 1.00 50.00 ? 104 TRP A CE3 1 ATOM 549 C CZ2 . TRP A 1 77 ? -38.198 9.794 -18.461 1.00 50.40 ? 104 TRP A CZ2 1 ATOM 550 C CZ3 . TRP A 1 77 ? -38.236 8.058 -20.153 1.00 51.11 ? 104 TRP A CZ3 1 ATOM 551 C CH2 . TRP A 1 77 ? -37.577 9.094 -19.460 1.00 51.31 ? 104 TRP A CH2 1 ATOM 552 N N . ALA A 1 78 ? -45.203 7.059 -20.788 1.00 48.17 ? 105 ALA A N 1 ATOM 553 C CA . ALA A 1 78 ? -46.078 6.108 -21.478 1.00 48.67 ? 105 ALA A CA 1 ATOM 554 C C . ALA A 1 78 ? -45.273 5.136 -22.331 1.00 49.91 ? 105 ALA A C 1 ATOM 555 O O . ALA A 1 78 ? -44.227 5.501 -22.880 1.00 50.06 ? 105 ALA A O 1 ATOM 556 C CB . ALA A 1 78 ? -47.069 6.861 -22.351 1.00 47.95 ? 105 ALA A CB 1 ATOM 557 N N . GLU A 1 79 ? -45.743 3.893 -22.411 1.00 51.23 ? 106 GLU A N 1 ATOM 558 C CA . GLU A 1 79 ? -45.346 2.986 -23.506 1.00 53.44 ? 106 GLU A CA 1 ATOM 559 C C . GLU A 1 79 ? -45.987 3.362 -24.836 1.00 52.51 ? 106 GLU A C 1 ATOM 560 O O . GLU A 1 79 ? -45.329 3.349 -25.868 1.00 54.07 ? 106 GLU A O 1 ATOM 561 C CB . GLU A 1 79 ? -45.733 1.538 -23.226 1.00 54.63 ? 106 GLU A CB 1 ATOM 562 C CG . GLU A 1 79 ? -44.798 0.837 -22.293 1.00 56.82 ? 106 GLU A CG 1 ATOM 563 C CD . GLU A 1 79 ? -43.542 0.329 -22.950 1.00 58.73 ? 106 GLU A CD 1 ATOM 564 O OE1 . GLU A 1 79 ? -43.645 -0.658 -23.723 1.00 59.40 ? 106 GLU A OE1 1 ATOM 565 O OE2 . GLU A 1 79 ? -42.461 0.894 -22.656 1.00 60.19 ? 106 GLU A OE2 1 ATOM 566 N N . ASN A 1 80 ? -47.276 3.661 -24.794 1.00 50.98 ? 107 ASN A N 1 ATOM 567 C CA . ASN A 1 80 ? -48.087 3.818 -25.972 1.00 51.20 ? 107 ASN A CA 1 ATOM 568 C C . ASN A 1 80 ? -48.706 5.207 -25.953 1.00 50.37 ? 107 ASN A C 1 ATOM 569 O O . ASN A 1 80 ? -49.304 5.629 -24.959 1.00 49.19 ? 107 ASN A O 1 ATOM 570 C CB . ASN A 1 80 ? -49.178 2.741 -26.012 1.00 52.22 ? 107 ASN A CB 1 ATOM 571 C CG . ASN A 1 80 ? -48.619 1.332 -25.884 1.00 53.30 ? 107 ASN A CG 1 ATOM 572 O OD1 . ASN A 1 80 ? -48.257 0.699 -26.875 1.00 54.57 ? 107 ASN A OD1 1 ATOM 573 N ND2 . ASN A 1 80 ? -48.551 0.833 -24.659 1.00 53.73 ? 107 ASN A ND2 1 ATOM 574 N N . CYS A 1 81 ? -48.495 5.926 -27.048 1.00 50.60 ? 108 CYS A N 1 ATOM 575 C CA . CYS A 1 81 ? -49.205 7.152 -27.349 1.00 50.40 ? 108 CYS A CA 1 ATOM 576 C C . CYS A 1 81 ? -49.731 7.022 -28.774 1.00 50.44 ? 108 CYS A C 1 ATOM 577 O O . CYS A 1 81 ? -49.438 6.044 -29.463 1.00 50.19 ? 108 CYS A O 1 ATOM 578 C CB . CYS A 1 81 ? -48.268 8.350 -27.236 1.00 50.76 ? 108 CYS A CB 1 ATOM 579 S SG . CYS A 1 81 ? -47.516 8.562 -25.612 1.00 50.94 ? 108 CYS A SG 1 ATOM 580 N N . TYR A 1 82 ? -50.526 7.999 -29.198 1.00 50.13 ? 109 TYR A N 1 ATOM 581 C CA . TYR A 1 82 ? -51.166 7.967 -30.507 1.00 50.65 ? 109 TYR A CA 1 ATOM 582 C C . TYR A 1 82 ? -51.153 9.348 -31.136 1.00 51.13 ? 109 TYR A C 1 ATOM 583 O O . TYR A 1 82 ? -51.209 10.357 -30.434 1.00 50.80 ? 109 TYR A O 1 ATOM 584 C CB . TYR A 1 82 ? -52.603 7.436 -30.389 1.00 50.33 ? 109 TYR A CB 1 ATOM 585 C CG . TYR A 1 82 ? -52.674 6.176 -29.568 1.00 50.43 ? 109 TYR A CG 1 ATOM 586 C CD1 . TYR A 1 82 ? -52.532 4.926 -30.156 1.00 50.90 ? 109 TYR A CD1 1 ATOM 587 C CD2 . TYR A 1 82 ? -52.825 6.238 -28.192 1.00 50.24 ? 109 TYR A CD2 1 ATOM 588 C CE1 . TYR A 1 82 ? -52.564 3.771 -29.397 1.00 51.31 ? 109 TYR A CE1 1 ATOM 589 C CE2 . TYR A 1 82 ? -52.852 5.090 -27.427 1.00 50.46 ? 109 TYR A CE2 1 ATOM 590 C CZ . TYR A 1 82 ? -52.721 3.867 -28.027 1.00 51.17 ? 109 TYR A CZ 1 ATOM 591 O OH . TYR A 1 82 ? -52.764 2.748 -27.243 1.00 52.33 ? 109 TYR A OH 1 ATOM 592 N N . ASN A 1 83 ? -51.081 9.368 -32.466 1.00 52.37 ? 110 ASN A N 1 ATOM 593 C CA . ASN A 1 83 ? -51.002 10.597 -33.257 1.00 52.22 ? 110 ASN A CA 1 ATOM 594 C C . ASN A 1 83 ? -51.855 10.383 -34.516 1.00 52.33 ? 110 ASN A C 1 ATOM 595 O O . ASN A 1 83 ? -51.516 9.551 -35.343 1.00 52.78 ? 110 ASN A O 1 ATOM 596 C CB . ASN A 1 83 ? -49.532 10.872 -33.590 1.00 52.31 ? 110 ASN A CB 1 ATOM 597 C CG . ASN A 1 83 ? -49.314 12.224 -34.241 1.00 52.66 ? 110 ASN A CG 1 ATOM 598 O OD1 . ASN A 1 83 ? -49.802 12.472 -35.339 1.00 53.78 ? 110 ASN A OD1 1 ATOM 599 N ND2 . ASN A 1 83 ? -48.547 13.092 -33.586 1.00 52.42 ? 110 ASN A ND2 1 ATOM 600 N N . LEU A 1 84 ? -52.964 11.114 -34.647 1.00 52.57 ? 111 LEU A N 1 ATOM 601 C CA . LEU A 1 84 ? -53.967 10.840 -35.688 1.00 53.55 ? 111 LEU A CA 1 ATOM 602 C C . LEU A 1 84 ? -53.984 11.882 -36.810 1.00 54.94 ? 111 LEU A C 1 ATOM 603 O O . LEU A 1 84 ? -54.039 13.086 -36.548 1.00 54.30 ? 111 LEU A O 1 ATOM 604 C CB . LEU A 1 84 ? -55.366 10.726 -35.077 1.00 52.82 ? 111 LEU A CB 1 ATOM 605 C CG . LEU A 1 84 ? -55.548 9.746 -33.911 1.00 52.97 ? 111 LEU A CG 1 ATOM 606 C CD1 . LEU A 1 84 ? -57.012 9.667 -33.503 1.00 53.12 ? 111 LEU A CD1 1 ATOM 607 C CD2 . LEU A 1 84 ? -55.027 8.356 -34.232 1.00 53.52 ? 111 LEU A CD2 1 ATOM 608 N N . GLU A 1 85 ? -53.931 11.392 -38.053 1.00 56.62 ? 112 GLU A N 1 ATOM 609 C CA . GLU A 1 85 ? -54.139 12.197 -39.258 1.00 58.30 ? 112 GLU A CA 1 ATOM 610 C C . GLU A 1 85 ? -55.286 11.554 -40.021 1.00 58.79 ? 112 GLU A C 1 ATOM 611 O O . GLU A 1 85 ? -55.068 10.715 -40.892 1.00 60.50 ? 112 GLU A O 1 ATOM 612 C CB . GLU A 1 85 ? -52.878 12.201 -40.127 1.00 60.03 ? 112 GLU A CB 1 ATOM 613 C CG . GLU A 1 85 ? -51.670 12.880 -39.504 1.00 61.45 ? 112 GLU A CG 1 ATOM 614 C CD . GLU A 1 85 ? -51.735 14.397 -39.530 1.00 63.51 ? 112 GLU A CD 1 ATOM 615 O OE1 . GLU A 1 85 ? -52.719 14.971 -40.064 1.00 64.75 ? 112 GLU A OE1 1 ATOM 616 O OE2 . GLU A 1 85 ? -50.781 15.021 -39.006 1.00 65.54 ? 112 GLU A OE2 1 ATOM 617 N N . ILE A 1 86 ? -56.511 11.926 -39.676 1.00 58.90 ? 113 ILE A N 1 ATOM 618 C CA . ILE A 1 86 ? -57.705 11.340 -40.292 1.00 60.10 ? 113 ILE A CA 1 ATOM 619 C C . ILE A 1 86 ? -58.369 12.374 -41.199 1.00 60.75 ? 113 ILE A C 1 ATOM 620 O O . ILE A 1 86 ? -58.475 13.547 -40.835 1.00 60.76 ? 113 ILE A O 1 ATOM 621 C CB . ILE A 1 86 ? -58.701 10.817 -39.222 1.00 59.96 ? 113 ILE A CB 1 ATOM 622 C CG1 . ILE A 1 86 ? -57.997 9.879 -38.229 1.00 59.73 ? 113 ILE A CG1 1 ATOM 623 C CG2 . ILE A 1 86 ? -59.880 10.082 -39.856 1.00 61.02 ? 113 ILE A CG2 1 ATOM 624 C CD1 . ILE A 1 86 ? -57.288 8.682 -38.843 1.00 60.37 ? 113 ILE A CD1 1 ATOM 625 N N . LYS A 1 87 ? -58.789 11.928 -42.384 1.00 62.61 ? 114 LYS A N 1 ATOM 626 C CA . LYS A 1 87 ? -59.550 12.749 -43.324 1.00 64.46 ? 114 LYS A CA 1 ATOM 627 C C . LYS A 1 87 ? -60.835 12.038 -43.698 1.00 66.05 ? 114 LYS A C 1 ATOM 628 O O . LYS A 1 87 ? -60.938 10.825 -43.548 1.00 65.34 ? 114 LYS A O 1 ATOM 629 C CB . LYS A 1 87 ? -58.739 13.003 -44.594 1.00 65.33 ? 114 LYS A CB 1 ATOM 630 C CG . LYS A 1 87 ? -57.513 13.873 -44.400 1.00 65.59 ? 114 LYS A CG 1 ATOM 631 C CD . LYS A 1 87 ? -56.864 14.197 -45.731 1.00 67.27 ? 114 LYS A CD 1 ATOM 632 C CE . LYS A 1 87 ? -55.860 15.334 -45.619 1.00 68.13 ? 114 LYS A CE 1 ATOM 633 N NZ . LYS A 1 87 ? -54.646 14.924 -44.859 1.00 68.79 ? 114 LYS A NZ 1 ATOM 634 N N . LYS A 1 88 ? -61.816 12.793 -44.184 1.00 68.73 ? 115 LYS A N 1 ATOM 635 C CA . LYS A 1 88 ? -62.997 12.188 -44.806 1.00 72.71 ? 115 LYS A CA 1 ATOM 636 C C . LYS A 1 88 ? -62.617 11.682 -46.208 1.00 74.14 ? 115 LYS A C 1 ATOM 637 O O . LYS A 1 88 ? -61.561 12.056 -46.732 1.00 73.40 ? 115 LYS A O 1 ATOM 638 C CB . LYS A 1 88 ? -64.172 13.181 -44.882 1.00 75.36 ? 115 LYS A CB 1 ATOM 639 C CG . LYS A 1 88 ? -64.805 13.521 -43.528 1.00 76.46 ? 115 LYS A CG 1 ATOM 640 C CD . LYS A 1 88 ? -66.325 13.703 -43.591 1.00 78.95 ? 115 LYS A CD 1 ATOM 641 C CE . LYS A 1 88 ? -66.754 15.096 -44.032 1.00 80.61 ? 115 LYS A CE 1 ATOM 642 N NZ . LYS A 1 88 ? -66.747 16.057 -42.890 1.00 79.64 ? 115 LYS A NZ 1 ATOM 643 N N . PRO A 1 89 ? -63.457 10.813 -46.815 1.00 76.29 ? 116 PRO A N 1 ATOM 644 C CA . PRO A 1 89 ? -63.295 10.439 -48.230 1.00 77.43 ? 116 PRO A CA 1 ATOM 645 C C . PRO A 1 89 ? -63.092 11.623 -49.185 1.00 77.20 ? 116 PRO A C 1 ATOM 646 O O . PRO A 1 89 ? -62.278 11.519 -50.097 1.00 76.50 ? 116 PRO A O 1 ATOM 647 C CB . PRO A 1 89 ? -64.599 9.711 -48.539 1.00 78.80 ? 116 PRO A CB 1 ATOM 648 C CG . PRO A 1 89 ? -64.946 9.047 -47.251 1.00 78.24 ? 116 PRO A CG 1 ATOM 649 C CD . PRO A 1 89 ? -64.441 9.940 -46.145 1.00 76.68 ? 116 PRO A CD 1 ATOM 650 N N . ASP A 1 90 ? -63.787 12.740 -48.945 1.00 77.11 ? 117 ASP A N 1 ATOM 651 C CA . ASP A 1 90 ? -63.591 13.971 -49.738 1.00 78.01 ? 117 ASP A CA 1 ATOM 652 C C . ASP A 1 90 ? -62.280 14.752 -49.479 1.00 75.65 ? 117 ASP A C 1 ATOM 653 O O . ASP A 1 90 ? -62.094 15.831 -50.050 1.00 75.39 ? 117 ASP A O 1 ATOM 654 C CB . ASP A 1 90 ? -64.819 14.908 -49.618 1.00 80.66 ? 117 ASP A CB 1 ATOM 655 C CG . ASP A 1 90 ? -64.994 15.522 -48.227 1.00 81.93 ? 117 ASP A CG 1 ATOM 656 O OD1 . ASP A 1 90 ? -64.027 15.591 -47.440 1.00 83.13 ? 117 ASP A OD1 1 ATOM 657 O OD2 . ASP A 1 90 ? -66.127 15.951 -47.921 1.00 84.84 ? 117 ASP A OD2 1 ATOM 658 N N . GLY A 1 91 ? -61.401 14.246 -48.608 1.00 73.07 ? 118 GLY A N 1 ATOM 659 C CA . GLY A 1 91 ? -60.104 14.875 -48.331 1.00 71.03 ? 118 GLY A CA 1 ATOM 660 C C . GLY A 1 91 ? -60.083 15.983 -47.280 1.00 69.25 ? 118 GLY A C 1 ATOM 661 O O . GLY A 1 91 ? -59.013 16.535 -46.986 1.00 68.21 ? 118 GLY A O 1 ATOM 662 N N . SER A 1 92 ? -61.241 16.320 -46.707 1.00 67.98 ? 119 SER A N 1 ATOM 663 C CA . SER A 1 92 ? -61.302 17.345 -45.670 1.00 66.78 ? 119 SER A CA 1 ATOM 664 C C . SER A 1 92 ? -60.877 16.758 -44.318 1.00 65.81 ? 119 SER A C 1 ATOM 665 O O . SER A 1 92 ? -61.069 15.568 -44.047 1.00 64.14 ? 119 SER A O 1 ATOM 666 C CB . SER A 1 92 ? -62.702 17.948 -45.586 1.00 67.17 ? 119 SER A CB 1 ATOM 667 O OG . SER A 1 92 ? -63.656 16.973 -45.234 1.00 67.41 ? 119 SER A OG 1 ATOM 668 N N . GLU A 1 93 ? -60.299 17.613 -43.477 1.00 65.84 ? 120 GLU A N 1 ATOM 669 C CA . GLU A 1 93 ? -59.739 17.194 -42.192 1.00 64.78 ? 120 GLU A CA 1 ATOM 670 C C . GLU A 1 93 ? -60.823 16.817 -41.169 1.00 64.41 ? 120 GLU A C 1 ATOM 671 O O . GLU A 1 93 ? -61.822 17.521 -41.006 1.00 63.82 ? 120 GLU A O 1 ATOM 672 C CB . GLU A 1 93 ? -58.828 18.291 -41.629 1.00 64.50 ? 120 GLU A CB 1 ATOM 673 C CG . GLU A 1 93 ? -57.541 18.506 -42.422 1.00 64.92 ? 120 GLU A CG 1 ATOM 674 C CD . GLU A 1 93 ? -56.520 17.392 -42.240 1.00 66.03 ? 120 GLU A CD 1 ATOM 675 O OE1 . GLU A 1 93 ? -56.735 16.476 -41.405 1.00 67.83 ? 120 GLU A OE1 1 ATOM 676 O OE2 . GLU A 1 93 ? -55.481 17.436 -42.931 1.00 66.46 ? 120 GLU A OE2 1 ATOM 677 N N . CYS A 1 94 ? -60.613 15.688 -40.496 1.00 64.50 ? 121 CYS A N 1 ATOM 678 C CA . CYS A 1 94 ? -61.545 15.202 -39.479 1.00 64.23 ? 121 CYS A CA 1 ATOM 679 C C . CYS A 1 94 ? -61.292 15.790 -38.099 1.00 61.17 ? 121 CYS A C 1 ATOM 680 O O . CYS A 1 94 ? -62.220 15.846 -37.304 1.00 62.03 ? 121 CYS A O 1 ATOM 681 C CB . CYS A 1 94 ? -61.492 13.678 -39.377 1.00 65.83 ? 121 CYS A CB 1 ATOM 682 S SG . CYS A 1 94 ? -62.415 12.847 -40.676 1.00 68.36 ? 121 CYS A SG 1 ATOM 683 N N . LEU A 1 95 ? -60.051 16.192 -37.813 1.00 57.89 ? 122 LEU A N 1 ATOM 684 C CA . LEU A 1 95 ? -59.666 16.708 -36.495 1.00 55.05 ? 122 LEU A CA 1 ATOM 685 C C . LEU A 1 95 ? -59.148 18.146 -36.600 1.00 54.22 ? 122 LEU A C 1 ATOM 686 O O . LEU A 1 95 ? -58.557 18.528 -37.618 1.00 54.35 ? 122 LEU A O 1 ATOM 687 C CB . LEU A 1 95 ? -58.594 15.814 -35.865 1.00 54.02 ? 122 LEU A CB 1 ATOM 688 C CG . LEU A 1 95 ? -58.927 14.318 -35.828 1.00 54.17 ? 122 LEU A CG 1 ATOM 689 C CD1 . LEU A 1 95 ? -57.671 13.478 -35.639 1.00 54.05 ? 122 LEU A CD1 1 ATOM 690 C CD2 . LEU A 1 95 ? -59.964 14.027 -34.755 1.00 53.93 ? 122 LEU A CD2 1 ATOM 691 N N . PRO A 1 96 ? -59.362 18.952 -35.546 1.00 52.67 ? 123 PRO A N 1 ATOM 692 C CA . PRO A 1 96 ? -58.875 20.322 -35.557 1.00 51.85 ? 123 PRO A CA 1 ATOM 693 C C . PRO A 1 96 ? -57.376 20.377 -35.333 1.00 50.65 ? 123 PRO A C 1 ATOM 694 O O . PRO A 1 96 ? -56.809 19.474 -34.714 1.00 49.83 ? 123 PRO A O 1 ATOM 695 C CB . PRO A 1 96 ? -59.602 20.947 -34.370 1.00 51.85 ? 123 PRO A CB 1 ATOM 696 C CG . PRO A 1 96 ? -59.742 19.819 -33.408 1.00 51.88 ? 123 PRO A CG 1 ATOM 697 C CD . PRO A 1 96 ? -59.999 18.613 -34.258 1.00 52.60 ? 123 PRO A CD 1 ATOM 698 N N . ALA A 1 97 ? -56.742 21.431 -35.830 1.00 50.45 ? 124 ALA A N 1 ATOM 699 C CA . ALA A 1 97 ? -55.332 21.680 -35.536 1.00 50.07 ? 124 ALA A CA 1 ATOM 700 C C . ALA A 1 97 ? -55.160 21.935 -34.049 1.00 49.50 ? 124 ALA A C 1 ATOM 701 O O . ALA A 1 97 ? -56.048 22.497 -33.409 1.00 49.28 ? 124 ALA A O 1 ATOM 702 C CB . ALA A 1 97 ? -54.817 22.872 -36.325 1.00 50.02 ? 124 ALA A CB 1 ATOM 703 N N . ALA A 1 98 ? -54.017 21.523 -33.509 1.00 49.53 ? 125 ALA A N 1 ATOM 704 C CA . ALA A 1 98 ? -53.662 21.822 -32.123 1.00 49.38 ? 125 ALA A CA 1 ATOM 705 C C . ALA A 1 98 ? -53.787 23.319 -31.835 1.00 49.62 ? 125 ALA A C 1 ATOM 706 O O . ALA A 1 98 ? -53.163 24.123 -32.516 1.00 50.93 ? 125 ALA A O 1 ATOM 707 C CB . ALA A 1 98 ? -52.238 21.375 -31.838 1.00 49.53 ? 125 ALA A CB 1 ATOM 708 N N . PRO A 1 99 ? -54.593 23.700 -30.830 1.00 50.31 ? 126 PRO A N 1 ATOM 709 C CA . PRO A 1 99 ? -54.591 25.088 -30.359 1.00 50.68 ? 126 PRO A CA 1 ATOM 710 C C . PRO A 1 99 ? -53.192 25.586 -29.988 1.00 51.95 ? 126 PRO A C 1 ATOM 711 O O . PRO A 1 99 ? -52.282 24.787 -29.752 1.00 52.65 ? 126 PRO A O 1 ATOM 712 C CB . PRO A 1 99 ? -55.464 25.034 -29.102 1.00 50.27 ? 126 PRO A CB 1 ATOM 713 C CG . PRO A 1 99 ? -56.345 23.850 -29.278 1.00 50.28 ? 126 PRO A CG 1 ATOM 714 C CD . PRO A 1 99 ? -55.577 22.868 -30.106 1.00 50.56 ? 126 PRO A CD 1 ATOM 715 N N . ASP A 1 100 ? -53.030 26.899 -29.914 1.00 53.40 ? 127 ASP A N 1 ATOM 716 C CA . ASP A 1 100 ? -51.742 27.482 -29.563 1.00 54.61 ? 127 ASP A CA 1 ATOM 717 C C . ASP A 1 100 ? -51.284 26.996 -28.178 1.00 54.11 ? 127 ASP A C 1 ATOM 718 O O . ASP A 1 100 ? -52.042 27.054 -27.216 1.00 54.88 ? 127 ASP A O 1 ATOM 719 C CB . ASP A 1 100 ? -51.836 29.008 -29.604 1.00 56.46 ? 127 ASP A CB 1 ATOM 720 C CG . ASP A 1 100 ? -50.501 29.691 -29.379 1.00 59.59 ? 127 ASP A CG 1 ATOM 721 O OD1 . ASP A 1 100 ? -49.434 29.087 -29.658 1.00 61.85 ? 127 ASP A OD1 1 ATOM 722 O OD2 . ASP A 1 100 ? -50.522 30.856 -28.925 1.00 62.68 ? 127 ASP A OD2 1 ATOM 723 N N . GLY A 1 101 ? -50.058 26.485 -28.095 1.00 53.42 ? 128 GLY A N 1 ATOM 724 C CA . GLY A 1 101 ? -49.480 26.034 -26.830 1.00 51.97 ? 128 GLY A CA 1 ATOM 725 C C . GLY A 1 101 ? -49.883 24.647 -26.360 1.00 50.81 ? 128 GLY A C 1 ATOM 726 O O . GLY A 1 101 ? -49.607 24.293 -25.218 1.00 50.01 ? 128 GLY A O 1 ATOM 727 N N . ILE A 1 102 ? -50.534 23.864 -27.220 1.00 50.89 ? 129 ILE A N 1 ATOM 728 C CA . ILE A 1 102 ? -50.817 22.455 -26.937 1.00 51.02 ? 129 ILE A CA 1 ATOM 729 C C . ILE A 1 102 ? -49.841 21.611 -27.754 1.00 50.86 ? 129 ILE A C 1 ATOM 730 O O . ILE A 1 102 ? -50.039 21.401 -28.942 1.00 51.95 ? 129 ILE A O 1 ATOM 731 C CB . ILE A 1 102 ? -52.291 22.098 -27.223 1.00 51.35 ? 129 ILE A CB 1 ATOM 732 C CG1 . ILE A 1 102 ? -53.187 22.960 -26.319 1.00 52.21 ? 129 ILE A CG1 1 ATOM 733 C CG2 . ILE A 1 102 ? -52.552 20.612 -26.977 1.00 51.34 ? 129 ILE A CG2 1 ATOM 734 C CD1 . ILE A 1 102 ? -54.662 22.614 -26.330 1.00 52.60 ? 129 ILE A CD1 1 ATOM 735 N N . ARG A 1 103 ? -48.765 21.178 -27.101 1.00 50.58 ? 130 ARG A N 1 ATOM 736 C CA . ARG A 1 103 ? -47.773 20.278 -27.680 1.00 50.30 ? 130 ARG A CA 1 ATOM 737 C C . ARG A 1 103 ? -48.109 18.856 -27.265 1.00 49.15 ? 130 ARG A C 1 ATOM 738 O O . ARG A 1 103 ? -48.900 18.650 -26.355 1.00 48.06 ? 130 ARG A O 1 ATOM 739 C CB . ARG A 1 103 ? -46.376 20.619 -27.167 1.00 51.67 ? 130 ARG A CB 1 ATOM 740 C CG . ARG A 1 103 ? -45.860 22.009 -27.530 1.00 52.63 ? 130 ARG A CG 1 ATOM 741 C CD . ARG A 1 103 ? -44.700 22.391 -26.624 1.00 53.75 ? 130 ARG A CD 1 ATOM 742 N NE . ARG A 1 103 ? -45.195 22.533 -25.260 1.00 54.56 ? 130 ARG A NE 1 ATOM 743 C CZ . ARG A 1 103 ? -45.844 23.597 -24.784 1.00 54.94 ? 130 ARG A CZ 1 ATOM 744 N NH1 . ARG A 1 103 ? -46.056 24.681 -25.537 1.00 55.42 ? 130 ARG A NH1 1 ATOM 745 N NH2 . ARG A 1 103 ? -46.275 23.582 -23.525 1.00 55.10 ? 130 ARG A NH2 1 ATOM 746 N N . GLY A 1 104 ? -47.483 17.881 -27.919 1.00 49.03 ? 131 GLY A N 1 ATOM 747 C CA . GLY A 1 104 ? -47.745 16.469 -27.650 1.00 48.19 ? 131 GLY A CA 1 ATOM 748 C C . GLY A 1 104 ? -47.172 15.979 -26.329 1.00 47.88 ? 131 GLY A C 1 ATOM 749 O O . GLY A 1 104 ? -46.267 16.589 -25.768 1.00 48.70 ? 131 GLY A O 1 ATOM 750 N N . PHE A 1 105 ? -47.709 14.859 -25.857 1.00 47.05 ? 132 PHE A N 1 ATOM 751 C CA . PHE A 1 105 ? -47.301 14.212 -24.616 1.00 46.87 ? 132 PHE A CA 1 ATOM 752 C C . PHE A 1 105 ? -45.795 13.970 -24.593 1.00 47.30 ? 132 PHE A C 1 ATOM 753 O O . PHE A 1 105 ? -45.261 13.422 -25.528 1.00 48.30 ? 132 PHE A O 1 ATOM 754 C CB . PHE A 1 105 ? -48.018 12.875 -24.502 1.00 47.23 ? 132 PHE A CB 1 ATOM 755 C CG . PHE A 1 105 ? -48.000 12.295 -23.133 1.00 47.62 ? 132 PHE A CG 1 ATOM 756 C CD1 . PHE A 1 105 ? -48.938 12.704 -22.191 1.00 47.33 ? 132 PHE A CD1 1 ATOM 757 C CD2 . PHE A 1 105 ? -47.071 11.326 -22.782 1.00 48.36 ? 132 PHE A CD2 1 ATOM 758 C CE1 . PHE A 1 105 ? -48.945 12.165 -20.919 1.00 47.74 ? 132 PHE A CE1 1 ATOM 759 C CE2 . PHE A 1 105 ? -47.067 10.780 -21.505 1.00 48.64 ? 132 PHE A CE2 1 ATOM 760 C CZ . PHE A 1 105 ? -48.009 11.199 -20.576 1.00 48.36 ? 132 PHE A CZ 1 ATOM 761 N N . PRO A 1 106 ? -45.108 14.356 -23.515 1.00 47.92 ? 133 PRO A N 1 ATOM 762 C CA . PRO A 1 106 ? -43.650 14.456 -23.598 1.00 48.84 ? 133 PRO A CA 1 ATOM 763 C C . PRO A 1 106 ? -42.822 13.162 -23.519 1.00 49.62 ? 133 PRO A C 1 ATOM 764 O O . PRO A 1 106 ? -41.643 13.194 -23.874 1.00 49.39 ? 133 PRO A O 1 ATOM 765 C CB . PRO A 1 106 ? -43.312 15.370 -22.420 1.00 49.01 ? 133 PRO A CB 1 ATOM 766 C CG . PRO A 1 106 ? -44.365 15.073 -21.414 1.00 48.55 ? 133 PRO A CG 1 ATOM 767 C CD . PRO A 1 106 ? -45.607 14.716 -22.174 1.00 47.90 ? 133 PRO A CD 1 ATOM 768 N N . ARG A 1 107 ? -43.406 12.059 -23.043 1.00 50.56 ? 134 ARG A N 1 ATOM 769 C CA . ARG A 1 107 ? -42.683 10.782 -22.889 1.00 51.10 ? 134 ARG A CA 1 ATOM 770 C C . ARG A 1 107 ? -43.498 9.603 -23.412 1.00 51.39 ? 134 ARG A C 1 ATOM 771 O O . ARG A 1 107 ? -44.433 9.142 -22.752 1.00 51.22 ? 134 ARG A O 1 ATOM 772 C CB . ARG A 1 107 ? -42.320 10.554 -21.424 1.00 51.45 ? 134 ARG A CB 1 ATOM 773 C CG . ARG A 1 107 ? -41.321 11.551 -20.857 1.00 52.13 ? 134 ARG A CG 1 ATOM 774 C CD . ARG A 1 107 ? -39.913 11.284 -21.358 1.00 53.26 ? 134 ARG A CD 1 ATOM 775 N NE . ARG A 1 107 ? -38.984 12.315 -20.906 1.00 53.87 ? 134 ARG A NE 1 ATOM 776 C CZ . ARG A 1 107 ? -38.757 13.476 -21.516 1.00 54.45 ? 134 ARG A CZ 1 ATOM 777 N NH1 . ARG A 1 107 ? -37.886 14.324 -20.987 1.00 55.50 ? 134 ARG A NH1 1 ATOM 778 N NH2 . ARG A 1 107 ? -39.381 13.809 -22.644 1.00 54.80 ? 134 ARG A NH2 1 ATOM 779 N N . CYS A 1 108 ? -43.147 9.147 -24.615 1.00 52.24 ? 135 CYS A N 1 ATOM 780 C CA . CYS A 1 108 ? -43.770 8.000 -25.267 1.00 52.90 ? 135 CYS A CA 1 ATOM 781 C C . CYS A 1 108 ? -42.694 7.061 -25.793 1.00 53.92 ? 135 CYS A C 1 ATOM 782 O O . CYS A 1 108 ? -41.842 7.478 -26.571 1.00 54.25 ? 135 CYS A O 1 ATOM 783 C CB . CYS A 1 108 ? -44.619 8.477 -26.445 1.00 53.04 ? 135 CYS A CB 1 ATOM 784 S SG . CYS A 1 108 ? -45.875 9.703 -26.023 1.00 52.50 ? 135 CYS A SG 1 ATOM 785 N N . ARG A 1 109 ? -42.728 5.800 -25.373 1.00 54.83 ? 136 ARG A N 1 ATOM 786 C CA . ARG A 1 109 ? -41.799 4.795 -25.889 1.00 56.86 ? 136 ARG A CA 1 ATOM 787 C C . ARG A 1 109 ? -42.143 4.450 -27.342 1.00 55.99 ? 136 ARG A C 1 ATOM 788 O O . ARG A 1 109 ? -41.251 4.287 -28.174 1.00 55.66 ? 136 ARG A O 1 ATOM 789 C CB . ARG A 1 109 ? -41.826 3.532 -25.018 1.00 58.87 ? 136 ARG A CB 1 ATOM 790 C CG . ARG A 1 109 ? -40.921 2.389 -25.467 1.00 61.59 ? 136 ARG A CG 1 ATOM 791 C CD . ARG A 1 109 ? -39.438 2.717 -25.365 1.00 64.22 ? 136 ARG A CD 1 ATOM 792 N NE . ARG A 1 109 ? -38.653 1.841 -26.244 1.00 67.90 ? 136 ARG A NE 1 ATOM 793 C CZ . ARG A 1 109 ? -38.397 2.052 -27.543 1.00 68.67 ? 136 ARG A CZ 1 ATOM 794 N NH1 . ARG A 1 109 ? -37.676 1.155 -28.215 1.00 69.71 ? 136 ARG A NH1 1 ATOM 795 N NH2 . ARG A 1 109 ? -38.840 3.143 -28.183 1.00 68.02 ? 136 ARG A NH2 1 ATOM 796 N N . TYR A 1 110 ? -43.439 4.320 -27.617 1.00 54.71 ? 137 TYR A N 1 ATOM 797 C CA . TYR A 1 110 ? -43.947 4.071 -28.952 1.00 54.62 ? 137 TYR A CA 1 ATOM 798 C C . TYR A 1 110 ? -45.050 5.066 -29.256 1.00 54.03 ? 137 TYR A C 1 ATOM 799 O O . TYR A 1 110 ? -46.010 5.167 -28.498 1.00 53.58 ? 137 TYR A O 1 ATOM 800 C CB . TYR A 1 110 ? -44.503 2.661 -29.050 1.00 54.99 ? 137 TYR A CB 1 ATOM 801 C CG . TYR A 1 110 ? -43.509 1.608 -28.659 1.00 56.16 ? 137 TYR A CG 1 ATOM 802 C CD1 . TYR A 1 110 ? -42.412 1.351 -29.458 1.00 57.15 ? 137 TYR A CD1 1 ATOM 803 C CD2 . TYR A 1 110 ? -43.656 0.872 -27.481 1.00 56.91 ? 137 TYR A CD2 1 ATOM 804 C CE1 . TYR A 1 110 ? -41.482 0.387 -29.111 1.00 58.53 ? 137 TYR A CE1 1 ATOM 805 C CE2 . TYR A 1 110 ? -42.731 -0.100 -27.124 1.00 57.98 ? 137 TYR A CE2 1 ATOM 806 C CZ . TYR A 1 110 ? -41.644 -0.336 -27.949 1.00 58.86 ? 137 TYR A CZ 1 ATOM 807 O OH . TYR A 1 110 ? -40.712 -1.289 -27.632 1.00 60.28 ? 137 TYR A OH 1 ATOM 808 N N . VAL A 1 111 ? -44.901 5.811 -30.350 1.00 54.43 ? 138 VAL A N 1 ATOM 809 C CA . VAL A 1 111 ? -45.961 6.694 -30.836 1.00 54.01 ? 138 VAL A CA 1 ATOM 810 C C . VAL A 1 111 ? -46.593 5.979 -32.010 1.00 55.16 ? 138 VAL A C 1 ATOM 811 O O . VAL A 1 111 ? -45.920 5.735 -33.009 1.00 57.11 ? 138 VAL A O 1 ATOM 812 C CB . VAL A 1 111 ? -45.430 8.074 -31.289 1.00 52.91 ? 138 VAL A CB 1 ATOM 813 C CG1 . VAL A 1 111 ? -46.564 8.923 -31.852 1.00 51.72 ? 138 VAL A CG1 1 ATOM 814 C CG2 . VAL A 1 111 ? -44.740 8.786 -30.129 1.00 52.48 ? 138 VAL A CG2 1 ATOM 815 N N . HIS A 1 112 ? -47.871 5.627 -31.877 1.00 55.48 ? 139 HIS A N 1 ATOM 816 C CA . HIS A 1 112 ? -48.619 4.972 -32.949 1.00 56.22 ? 139 HIS A CA 1 ATOM 817 C C . HIS A 1 112 ? -49.251 6.034 -33.830 1.00 56.39 ? 139 HIS A C 1 ATOM 818 O O . HIS A 1 112 ? -50.316 6.562 -33.505 1.00 53.87 ? 139 HIS A O 1 ATOM 819 C CB . HIS A 1 112 ? -49.697 4.055 -32.383 1.00 56.21 ? 139 HIS A CB 1 ATOM 820 C CG . HIS A 1 112 ? -49.167 3.006 -31.465 1.00 56.53 ? 139 HIS A CG 1 ATOM 821 N ND1 . HIS A 1 112 ? -49.085 3.190 -30.102 1.00 56.80 ? 139 HIS A ND1 1 ATOM 822 C CD2 . HIS A 1 112 ? -48.678 1.772 -31.710 1.00 57.01 ? 139 HIS A CD2 1 ATOM 823 C CE1 . HIS A 1 112 ? -48.572 2.109 -29.548 1.00 56.82 ? 139 HIS A CE1 1 ATOM 824 N NE2 . HIS A 1 112 ? -48.318 1.232 -30.502 1.00 57.34 ? 139 HIS A NE2 1 ATOM 825 N N . LYS A 1 113 ? -48.578 6.354 -34.935 1.00 58.39 ? 140 LYS A N 1 ATOM 826 C CA . LYS A 1 113 ? -49.069 7.365 -35.855 1.00 60.40 ? 140 LYS A CA 1 ATOM 827 C C . LYS A 1 113 ? -50.007 6.738 -36.884 1.00 60.22 ? 140 LYS A C 1 ATOM 828 O O . LYS A 1 113 ? -49.566 6.041 -37.790 1.00 62.28 ? 140 LYS A O 1 ATOM 829 C CB . LYS A 1 113 ? -47.916 8.094 -36.536 1.00 63.58 ? 140 LYS A CB 1 ATOM 830 C CG . LYS A 1 113 ? -48.403 9.210 -37.441 1.00 67.50 ? 140 LYS A CG 1 ATOM 831 C CD . LYS A 1 113 ? -47.336 10.236 -37.746 1.00 70.94 ? 140 LYS A CD 1 ATOM 832 C CE . LYS A 1 113 ? -47.946 11.346 -38.579 1.00 73.91 ? 140 LYS A CE 1 ATOM 833 N NZ . LYS A 1 113 ? -46.945 12.403 -38.886 1.00 76.92 ? 140 LYS A NZ 1 ATOM 834 N N . VAL A 1 114 ? -51.303 6.994 -36.737 1.00 59.53 ? 141 VAL A N 1 ATOM 835 C CA . VAL A 1 114 ? -52.324 6.450 -37.629 1.00 60.10 ? 141 VAL A CA 1 ATOM 836 C C . VAL A 1 114 ? -52.751 7.521 -38.644 1.00 60.72 ? 141 VAL A C 1 ATOM 837 O O . VAL A 1 114 ? -53.260 8.582 -38.267 1.00 59.69 ? 141 VAL A O 1 ATOM 838 C CB . VAL A 1 114 ? -53.552 5.956 -36.830 1.00 59.65 ? 141 VAL A CB 1 ATOM 839 C CG1 . VAL A 1 114 ? -54.566 5.288 -37.749 1.00 60.74 ? 141 VAL A CG1 1 ATOM 840 C CG2 . VAL A 1 114 ? -53.122 4.993 -35.730 1.00 59.05 ? 141 VAL A CG2 1 ATOM 841 N N . SER A 1 115 ? -52.519 7.239 -39.925 1.00 62.16 ? 142 SER A N 1 ATOM 842 C CA . SER A 1 115 ? -53.022 8.069 -41.025 1.00 63.01 ? 142 SER A CA 1 ATOM 843 C C . SER A 1 115 ? -54.122 7.302 -41.743 1.00 62.98 ? 142 SER A C 1 ATOM 844 O O . SER A 1 115 ? -54.036 6.084 -41.878 1.00 64.74 ? 142 SER A O 1 ATOM 845 C CB . SER A 1 115 ? -51.893 8.403 -41.991 1.00 64.05 ? 142 SER A CB 1 ATOM 846 O OG . SER A 1 115 ? -50.820 9.005 -41.293 1.00 64.98 ? 142 SER A OG 1 ATOM 847 N N . GLY A 1 116 ? -55.164 7.988 -42.193 1.00 61.85 ? 143 GLY A N 1 ATOM 848 C CA . GLY A 1 116 ? -56.259 7.278 -42.839 1.00 62.33 ? 143 GLY A CA 1 ATOM 849 C C . GLY A 1 116 ? -57.528 8.057 -43.065 1.00 62.22 ? 143 GLY A C 1 ATOM 850 O O . GLY A 1 116 ? -57.534 9.283 -43.031 1.00 62.65 ? 143 GLY A O 1 ATOM 851 N N . THR A 1 117 ? -58.608 7.317 -43.299 1.00 62.51 ? 144 THR A N 1 ATOM 852 C CA . THR A 1 117 ? -59.903 7.897 -43.617 1.00 62.52 ? 144 THR A CA 1 ATOM 853 C C . THR A 1 117 ? -61.039 7.242 -42.841 1.00 62.85 ? 144 THR A C 1 ATOM 854 O O . THR A 1 117 ? -60.926 6.097 -42.374 1.00 62.61 ? 144 THR A O 1 ATOM 855 C CB . THR A 1 117 ? -60.217 7.776 -45.121 1.00 63.56 ? 144 THR A CB 1 ATOM 856 O OG1 . THR A 1 117 ? -60.167 6.397 -45.513 1.00 63.60 ? 144 THR A OG1 1 ATOM 857 C CG2 . THR A 1 117 ? -59.224 8.593 -45.958 1.00 63.26 ? 144 THR A CG2 1 ATOM 858 N N . GLY A 1 118 ? -62.134 7.989 -42.722 1.00 62.87 ? 145 GLY A N 1 ATOM 859 C CA . GLY A 1 118 ? -63.358 7.513 -42.079 1.00 63.01 ? 145 GLY A CA 1 ATOM 860 C C . GLY A 1 118 ? -64.478 8.529 -42.229 1.00 63.33 ? 145 GLY A C 1 ATOM 861 O O . GLY A 1 118 ? -64.231 9.660 -42.652 1.00 62.56 ? 145 GLY A O 1 ATOM 862 N N . PRO A 1 119 ? -65.718 8.140 -41.884 1.00 64.46 ? 146 PRO A N 1 ATOM 863 C CA . PRO A 1 119 ? -66.844 9.068 -42.017 1.00 66.27 ? 146 PRO A CA 1 ATOM 864 C C . PRO A 1 119 ? -66.759 10.288 -41.093 1.00 67.12 ? 146 PRO A C 1 ATOM 865 O O . PRO A 1 119 ? -67.121 11.380 -41.521 1.00 68.34 ? 146 PRO A O 1 ATOM 866 C CB . PRO A 1 119 ? -68.065 8.207 -41.675 1.00 66.42 ? 146 PRO A CB 1 ATOM 867 C CG . PRO A 1 119 ? -67.534 7.073 -40.880 1.00 65.68 ? 146 PRO A CG 1 ATOM 868 C CD . PRO A 1 119 ? -66.144 6.825 -41.377 1.00 64.95 ? 146 PRO A CD 1 ATOM 869 N N . CYS A 1 120 ? -66.291 10.096 -39.855 1.00 67.58 ? 147 CYS A N 1 ATOM 870 C CA . CYS A 1 120 ? -66.119 11.185 -38.881 1.00 68.03 ? 147 CYS A CA 1 ATOM 871 C C . CYS A 1 120 ? -67.416 11.974 -38.697 1.00 67.48 ? 147 CYS A C 1 ATOM 872 O O . CYS A 1 120 ? -67.477 13.171 -38.999 1.00 66.23 ? 147 CYS A O 1 ATOM 873 C CB . CYS A 1 120 ? -64.989 12.135 -39.301 1.00 69.50 ? 147 CYS A CB 1 ATOM 874 S SG . CYS A 1 120 ? -63.383 11.371 -39.651 1.00 73.30 ? 147 CYS A SG 1 ATOM 875 N N . ALA A 1 121 ? -68.453 11.285 -38.217 1.00 66.88 ? 148 ALA A N 1 ATOM 876 C CA . ALA A 1 121 ? -69.774 11.887 -38.029 1.00 66.07 ? 148 ALA A CA 1 ATOM 877 C C . ALA A 1 121 ? -69.831 12.684 -36.721 1.00 64.02 ? 148 ALA A C 1 ATOM 878 O O . ALA A 1 121 ? -70.429 12.251 -35.732 1.00 64.78 ? 148 ALA A O 1 ATOM 879 C CB . ALA A 1 121 ? -70.852 10.812 -38.062 1.00 67.24 ? 148 ALA A CB 1 ATOM 880 N N . GLY A 1 122 ? -69.202 13.855 -36.733 1.00 61.26 ? 149 GLY A N 1 ATOM 881 C CA . GLY A 1 122 ? -69.206 14.758 -35.594 1.00 58.91 ? 149 GLY A CA 1 ATOM 882 C C . GLY A 1 122 ? -68.065 15.752 -35.653 1.00 57.54 ? 149 GLY A C 1 ATOM 883 O O . GLY A 1 122 ? -67.021 15.477 -36.244 1.00 55.32 ? 149 GLY A O 1 ATOM 884 N N . ASP A 1 123 ? -68.260 16.896 -34.998 1.00 57.21 ? 150 ASP A N 1 ATOM 885 C CA . ASP A 1 123 ? -67.303 18.006 -35.041 1.00 56.42 ? 150 ASP A CA 1 ATOM 886 C C . ASP A 1 123 ? -65.983 17.705 -34.333 1.00 54.85 ? 150 ASP A C 1 ATOM 887 O O . ASP A 1 123 ? -64.918 18.122 -34.803 1.00 55.04 ? 150 ASP A O 1 ATOM 888 C CB . ASP A 1 123 ? -67.916 19.269 -34.423 1.00 57.26 ? 150 ASP A CB 1 ATOM 889 C CG . ASP A 1 123 ? -69.132 19.774 -35.182 1.00 59.38 ? 150 ASP A CG 1 ATOM 890 O OD1 . ASP A 1 123 ? -69.194 19.634 -36.425 1.00 60.55 ? 150 ASP A OD1 1 ATOM 891 O OD2 . ASP A 1 123 ? -70.033 20.326 -34.522 1.00 60.96 ? 150 ASP A OD2 1 ATOM 892 N N . PHE A 1 124 ? -66.064 17.008 -33.197 1.00 53.43 ? 151 PHE A N 1 ATOM 893 C CA . PHE A 1 124 ? -64.898 16.676 -32.373 1.00 51.41 ? 151 PHE A CA 1 ATOM 894 C C . PHE A 1 124 ? -64.910 15.215 -31.949 1.00 50.82 ? 151 PHE A C 1 ATOM 895 O O . PHE A 1 124 ? -65.977 14.609 -31.838 1.00 51.08 ? 151 PHE A O 1 ATOM 896 C CB . PHE A 1 124 ? -64.863 17.556 -31.130 1.00 50.14 ? 151 PHE A CB 1 ATOM 897 C CG . PHE A 1 124 ? -64.630 19.003 -31.422 1.00 49.81 ? 151 PHE A CG 1 ATOM 898 C CD1 . PHE A 1 124 ? -63.356 19.471 -31.714 1.00 50.12 ? 151 PHE A CD1 1 ATOM 899 C CD2 . PHE A 1 124 ? -65.680 19.903 -31.401 1.00 49.99 ? 151 PHE A CD2 1 ATOM 900 C CE1 . PHE A 1 124 ? -63.142 20.818 -31.981 1.00 50.08 ? 151 PHE A CE1 1 ATOM 901 C CE2 . PHE A 1 124 ? -65.473 21.245 -31.664 1.00 50.02 ? 151 PHE A CE2 1 ATOM 902 C CZ . PHE A 1 124 ? -64.206 21.703 -31.954 1.00 49.92 ? 151 PHE A CZ 1 ATOM 903 N N . ALA A 1 125 ? -63.720 14.673 -31.692 1.00 49.73 ? 152 ALA A N 1 ATOM 904 C CA . ALA A 1 125 ? -63.558 13.287 -31.258 1.00 50.11 ? 152 ALA A CA 1 ATOM 905 C C . ALA A 1 125 ? -63.343 13.232 -29.744 1.00 49.70 ? 152 ALA A C 1 ATOM 906 O O . ALA A 1 125 ? -62.396 13.820 -29.248 1.00 49.98 ? 152 ALA A O 1 ATOM 907 C CB . ALA A 1 125 ? -62.379 12.658 -31.974 1.00 50.08 ? 152 ALA A CB 1 ATOM 908 N N . PHE A 1 126 ? -64.209 12.510 -29.031 1.00 49.62 ? 153 PHE A N 1 ATOM 909 C CA . PHE A 1 126 ? -64.174 12.401 -27.568 1.00 48.84 ? 153 PHE A CA 1 ATOM 910 C C . PHE A 1 126 ? -63.826 10.981 -27.128 1.00 49.77 ? 153 PHE A C 1 ATOM 911 O O . PHE A 1 126 ? -63.843 10.052 -27.937 1.00 51.14 ? 153 PHE A O 1 ATOM 912 C CB . PHE A 1 126 ? -65.544 12.756 -27.003 1.00 49.14 ? 153 PHE A CB 1 ATOM 913 C CG . PHE A 1 126 ? -65.939 14.185 -27.224 1.00 48.99 ? 153 PHE A CG 1 ATOM 914 C CD1 . PHE A 1 126 ? -66.505 14.587 -28.436 1.00 49.55 ? 153 PHE A CD1 1 ATOM 915 C CD2 . PHE A 1 126 ? -65.757 15.131 -26.224 1.00 48.04 ? 153 PHE A CD2 1 ATOM 916 C CE1 . PHE A 1 126 ? -66.868 15.907 -28.648 1.00 49.26 ? 153 PHE A CE1 1 ATOM 917 C CE2 . PHE A 1 126 ? -66.120 16.450 -26.430 1.00 48.27 ? 153 PHE A CE2 1 ATOM 918 C CZ . PHE A 1 126 ? -66.671 16.841 -27.643 1.00 48.78 ? 153 PHE A CZ 1 ATOM 919 N N . HIS A 1 127 ? -63.525 10.818 -25.840 1.00 49.67 ? 154 HIS A N 1 ATOM 920 C CA . HIS A 1 127 ? -63.276 9.500 -25.241 1.00 49.79 ? 154 HIS A CA 1 ATOM 921 C C . HIS A 1 127 ? -64.601 8.924 -24.752 1.00 51.29 ? 154 HIS A C 1 ATOM 922 O O . HIS A 1 127 ? -65.263 9.531 -23.916 1.00 52.25 ? 154 HIS A O 1 ATOM 923 C CB . HIS A 1 127 ? -62.287 9.615 -24.076 1.00 48.80 ? 154 HIS A CB 1 ATOM 924 C CG . HIS A 1 127 ? -61.531 8.354 -23.798 1.00 48.45 ? 154 HIS A CG 1 ATOM 925 N ND1 . HIS A 1 127 ? -62.074 7.296 -23.104 1.00 48.52 ? 154 HIS A ND1 1 ATOM 926 C CD2 . HIS A 1 127 ? -60.272 7.981 -24.124 1.00 48.41 ? 154 HIS A CD2 1 ATOM 927 C CE1 . HIS A 1 127 ? -61.185 6.326 -23.012 1.00 48.72 ? 154 HIS A CE1 1 ATOM 928 N NE2 . HIS A 1 127 ? -60.083 6.714 -23.625 1.00 48.89 ? 154 HIS A NE2 1 ATOM 929 N N . LYS A 1 128 ? -64.978 7.755 -25.265 1.00 53.26 ? 155 LYS A N 1 ATOM 930 C CA . LYS A 1 128 ? -66.288 7.149 -24.981 1.00 54.78 ? 155 LYS A CA 1 ATOM 931 C C . LYS A 1 128 ? -66.460 6.724 -23.529 1.00 55.06 ? 155 LYS A C 1 ATOM 932 O O . LYS A 1 128 ? -67.579 6.662 -23.020 1.00 55.52 ? 155 LYS A O 1 ATOM 933 C CB . LYS A 1 128 ? -66.526 5.933 -25.883 1.00 56.62 ? 155 LYS A CB 1 ATOM 934 C CG . LYS A 1 128 ? -66.772 6.274 -27.344 1.00 57.98 ? 155 LYS A CG 1 ATOM 935 C CD . LYS A 1 128 ? -66.850 5.005 -28.175 1.00 59.83 ? 155 LYS A CD 1 ATOM 936 C CE . LYS A 1 128 ? -67.515 5.245 -29.519 1.00 61.71 ? 155 LYS A CE 1 ATOM 937 N NZ . LYS A 1 128 ? -67.705 3.953 -30.235 1.00 63.44 ? 155 LYS A NZ 1 ATOM 938 N N . GLU A 1 129 ? -65.345 6.388 -22.892 1.00 55.11 ? 156 GLU A N 1 ATOM 939 C CA . GLU A 1 129 ? -65.306 6.060 -21.467 1.00 55.02 ? 156 GLU A CA 1 ATOM 940 C C . GLU A 1 129 ? -65.105 7.237 -20.507 1.00 52.91 ? 156 GLU A C 1 ATOM 941 O O . GLU A 1 129 ? -65.077 7.047 -19.294 1.00 53.14 ? 156 GLU A O 1 ATOM 942 C CB . GLU A 1 129 ? -64.261 4.966 -21.240 1.00 56.24 ? 156 GLU A CB 1 ATOM 943 C CG . GLU A 1 129 ? -64.669 3.661 -21.915 1.00 57.70 ? 156 GLU A CG 1 ATOM 944 C CD . GLU A 1 129 ? -63.546 2.662 -22.064 1.00 59.32 ? 156 GLU A CD 1 ATOM 945 O OE1 . GLU A 1 129 ? -63.774 1.623 -22.725 1.00 61.91 ? 156 GLU A OE1 1 ATOM 946 O OE2 . GLU A 1 129 ? -62.441 2.900 -21.534 1.00 60.17 ? 156 GLU A OE2 1 ATOM 947 N N . GLY A 1 130 ? -65.009 8.453 -21.036 1.00 51.82 ? 157 GLY A N 1 ATOM 948 C CA . GLY A 1 130 ? -64.955 9.670 -20.209 1.00 50.57 ? 157 GLY A CA 1 ATOM 949 C C . GLY A 1 130 ? -63.565 10.129 -19.811 1.00 48.63 ? 157 GLY A C 1 ATOM 950 O O . GLY A 1 130 ? -63.423 11.151 -19.147 1.00 47.89 ? 157 GLY A O 1 ATOM 951 N N . ALA A 1 131 ? -62.542 9.387 -20.232 1.00 47.72 ? 158 ALA A N 1 ATOM 952 C CA . ALA A 1 131 ? -61.159 9.732 -19.949 1.00 47.48 ? 158 ALA A CA 1 ATOM 953 C C . ALA A 1 131 ? -60.736 10.970 -20.744 1.00 47.59 ? 158 ALA A C 1 ATOM 954 O O . ALA A 1 131 ? -61.529 11.514 -21.530 1.00 48.57 ? 158 ALA A O 1 ATOM 955 C CB . ALA A 1 131 ? -60.250 8.552 -20.261 1.00 47.46 ? 158 ALA A CB 1 ATOM 956 N N . PHE A 1 132 ? -59.502 11.424 -20.510 1.00 46.72 ? 159 PHE A N 1 ATOM 957 C CA . PHE A 1 132 ? -58.935 12.574 -21.220 1.00 46.28 ? 159 PHE A CA 1 ATOM 958 C C . PHE A 1 132 ? -57.831 12.163 -22.175 1.00 45.76 ? 159 PHE A C 1 ATOM 959 O O . PHE A 1 132 ? -57.222 11.105 -22.033 1.00 46.80 ? 159 PHE A O 1 ATOM 960 C CB . PHE A 1 132 ? -58.347 13.577 -20.234 1.00 46.45 ? 159 PHE A CB 1 ATOM 961 C CG . PHE A 1 132 ? -59.367 14.251 -19.374 1.00 46.62 ? 159 PHE A CG 1 ATOM 962 C CD1 . PHE A 1 132 ? -60.019 15.389 -19.819 1.00 46.73 ? 159 PHE A CD1 1 ATOM 963 C CD2 . PHE A 1 132 ? -59.665 13.758 -18.115 1.00 47.12 ? 159 PHE A CD2 1 ATOM 964 C CE1 . PHE A 1 132 ? -60.963 16.021 -19.029 1.00 47.01 ? 159 PHE A CE1 1 ATOM 965 C CE2 . PHE A 1 132 ? -60.603 14.384 -17.316 1.00 47.45 ? 159 PHE A CE2 1 ATOM 966 C CZ . PHE A 1 132 ? -61.257 15.518 -17.776 1.00 47.48 ? 159 PHE A CZ 1 ATOM 967 N N . PHE A 1 133 ? -57.571 13.035 -23.136 1.00 44.96 ? 160 PHE A N 1 ATOM 968 C CA . PHE A 1 133 ? -56.398 12.944 -23.981 1.00 44.49 ? 160 PHE A CA 1 ATOM 969 C C . PHE A 1 133 ? -55.333 13.850 -23.373 1.00 43.88 ? 160 PHE A C 1 ATOM 970 O O . PHE A 1 133 ? -55.542 15.050 -23.213 1.00 42.76 ? 160 PHE A O 1 ATOM 971 C CB . PHE A 1 133 ? -56.772 13.340 -25.404 1.00 44.95 ? 160 PHE A CB 1 ATOM 972 C CG . PHE A 1 133 ? -57.904 12.523 -25.952 1.00 45.56 ? 160 PHE A CG 1 ATOM 973 C CD1 . PHE A 1 133 ? -57.692 11.200 -26.335 1.00 45.46 ? 160 PHE A CD1 1 ATOM 974 C CD2 . PHE A 1 133 ? -59.193 13.045 -26.025 1.00 45.96 ? 160 PHE A CD2 1 ATOM 975 C CE1 . PHE A 1 133 ? -58.730 10.422 -26.807 1.00 45.82 ? 160 PHE A CE1 1 ATOM 976 C CE2 . PHE A 1 133 ? -60.241 12.267 -26.504 1.00 46.29 ? 160 PHE A CE2 1 ATOM 977 C CZ . PHE A 1 133 ? -60.007 10.953 -26.891 1.00 46.23 ? 160 PHE A CZ 1 ATOM 978 N N . LEU A 1 134 ? -54.209 13.249 -22.993 1.00 44.00 ? 161 LEU A N 1 ATOM 979 C CA . LEU A 1 134 ? -53.154 13.948 -22.294 1.00 43.71 ? 161 LEU A CA 1 ATOM 980 C C . LEU A 1 134 ? -52.137 14.432 -23.292 1.00 44.11 ? 161 LEU A C 1 ATOM 981 O O . LEU A 1 134 ? -51.581 13.644 -24.048 1.00 44.67 ? 161 LEU A O 1 ATOM 982 C CB . LEU A 1 134 ? -52.481 13.027 -21.284 1.00 44.12 ? 161 LEU A CB 1 ATOM 983 C CG . LEU A 1 134 ? -53.381 12.436 -20.194 1.00 44.50 ? 161 LEU A CG 1 ATOM 984 C CD1 . LEU A 1 134 ? -52.526 11.691 -19.174 1.00 45.04 ? 161 LEU A CD1 1 ATOM 985 C CD2 . LEU A 1 134 ? -54.225 13.504 -19.506 1.00 44.23 ? 161 LEU A CD2 1 ATOM 986 N N . TYR A 1 135 ? -51.907 15.737 -23.283 1.00 44.16 ? 162 TYR A N 1 ATOM 987 C CA . TYR A 1 135 ? -50.906 16.379 -24.109 1.00 44.59 ? 162 TYR A CA 1 ATOM 988 C C . TYR A 1 135 ? -49.823 16.897 -23.165 1.00 45.20 ? 162 TYR A C 1 ATOM 989 O O . TYR A 1 135 ? -49.750 16.432 -22.035 1.00 45.85 ? 162 TYR A O 1 ATOM 990 C CB . TYR A 1 135 ? -51.580 17.486 -24.910 1.00 44.33 ? 162 TYR A CB 1 ATOM 991 C CG . TYR A 1 135 ? -52.668 16.972 -25.810 1.00 44.09 ? 162 TYR A CG 1 ATOM 992 C CD1 . TYR A 1 135 ? -52.367 16.471 -27.072 1.00 44.58 ? 162 TYR A CD1 1 ATOM 993 C CD2 . TYR A 1 135 ? -53.995 16.981 -25.404 1.00 43.81 ? 162 TYR A CD2 1 ATOM 994 C CE1 . TYR A 1 135 ? -53.363 15.996 -27.913 1.00 44.72 ? 162 TYR A CE1 1 ATOM 995 C CE2 . TYR A 1 135 ? -54.999 16.510 -26.235 1.00 44.08 ? 162 TYR A CE2 1 ATOM 996 C CZ . TYR A 1 135 ? -54.677 16.011 -27.483 1.00 44.44 ? 162 TYR A CZ 1 ATOM 997 O OH . TYR A 1 135 ? -55.671 15.550 -28.302 1.00 44.64 ? 162 TYR A OH 1 ATOM 998 N N . ASP A 1 136 ? -48.969 17.822 -23.605 1.00 46.32 ? 163 ASP A N 1 ATOM 999 C CA . ASP A 1 136 ? -47.922 18.360 -22.727 1.00 47.26 ? 163 ASP A CA 1 ATOM 1000 C C . ASP A 1 136 ? -48.508 19.248 -21.618 1.00 47.08 ? 163 ASP A C 1 ATOM 1001 O O . ASP A 1 136 ? -48.737 20.438 -21.807 1.00 46.90 ? 163 ASP A O 1 ATOM 1002 C CB . ASP A 1 136 ? -46.867 19.125 -23.526 1.00 47.89 ? 163 ASP A CB 1 ATOM 1003 C CG . ASP A 1 136 ? -45.780 19.699 -22.647 1.00 48.80 ? 163 ASP A CG 1 ATOM 1004 O OD1 . ASP A 1 136 ? -45.254 20.775 -22.990 1.00 50.40 ? 163 ASP A OD1 1 ATOM 1005 O OD2 . ASP A 1 136 ? -45.439 19.087 -21.607 1.00 48.89 ? 163 ASP A OD2 1 ATOM 1006 N N . ARG A 1 137 ? -48.760 18.634 -20.465 1.00 47.46 ? 164 ARG A N 1 ATOM 1007 C CA . ARG A 1 137 ? -49.320 19.310 -19.290 1.00 47.30 ? 164 ARG A CA 1 ATOM 1008 C C . ARG A 1 137 ? -50.689 19.978 -19.522 1.00 46.69 ? 164 ARG A C 1 ATOM 1009 O O . ARG A 1 137 ? -51.083 20.877 -18.769 1.00 45.76 ? 164 ARG A O 1 ATOM 1010 C CB . ARG A 1 137 ? -48.300 20.297 -18.712 1.00 47.97 ? 164 ARG A CB 1 ATOM 1011 C CG . ARG A 1 137 ? -47.070 19.605 -18.156 1.00 49.10 ? 164 ARG A CG 1 ATOM 1012 C CD . ARG A 1 137 ? -45.926 20.577 -17.970 1.00 50.54 ? 164 ARG A CD 1 ATOM 1013 N NE . ARG A 1 137 ? -45.380 20.965 -19.266 1.00 51.51 ? 164 ARG A NE 1 ATOM 1014 C CZ . ARG A 1 137 ? -44.760 22.113 -19.536 1.00 52.77 ? 164 ARG A CZ 1 ATOM 1015 N NH1 . ARG A 1 137 ? -44.325 22.338 -20.772 1.00 52.55 ? 164 ARG A NH1 1 ATOM 1016 N NH2 . ARG A 1 137 ? -44.565 23.040 -18.598 1.00 54.05 ? 164 ARG A NH2 1 ATOM 1017 N N . LEU A 1 138 ? -51.409 19.524 -20.553 1.00 46.17 ? 165 LEU A N 1 ATOM 1018 C CA . LEU A 1 138 ? -52.782 19.958 -20.822 1.00 45.98 ? 165 LEU A CA 1 ATOM 1019 C C . LEU A 1 138 ? -53.586 18.721 -21.189 1.00 45.50 ? 165 LEU A C 1 ATOM 1020 O O . LEU A 1 138 ? -53.162 17.921 -22.014 1.00 44.58 ? 165 LEU A O 1 ATOM 1021 C CB . LEU A 1 138 ? -52.840 21.008 -21.939 1.00 45.92 ? 165 LEU A CB 1 ATOM 1022 C CG . LEU A 1 138 ? -52.166 22.350 -21.597 1.00 46.40 ? 165 LEU A CG 1 ATOM 1023 C CD1 . LEU A 1 138 ? -51.883 23.180 -22.836 1.00 47.13 ? 165 LEU A CD1 1 ATOM 1024 C CD2 . LEU A 1 138 ? -52.994 23.166 -20.618 1.00 46.22 ? 165 LEU A CD2 1 ATOM 1025 N N . ALA A 1 139 ? -54.717 18.544 -20.516 1.00 46.05 ? 166 ALA A N 1 ATOM 1026 C CA . ALA A 1 139 ? -55.629 17.443 -20.790 1.00 46.33 ? 166 ALA A CA 1 ATOM 1027 C C . ALA A 1 139 ? -56.822 18.007 -21.537 1.00 46.19 ? 166 ALA A C 1 ATOM 1028 O O . ALA A 1 139 ? -57.434 18.974 -21.090 1.00 46.25 ? 166 ALA A O 1 ATOM 1029 C CB . ALA A 1 139 ? -56.073 16.790 -19.497 1.00 46.23 ? 166 ALA A CB 1 ATOM 1030 N N . SER A 1 140 ? -57.136 17.426 -22.688 1.00 46.31 ? 167 SER A N 1 ATOM 1031 C CA . SER A 1 140 ? -58.303 17.849 -23.441 1.00 46.25 ? 167 SER A CA 1 ATOM 1032 C C . SER A 1 140 ? -59.333 16.751 -23.449 1.00 46.09 ? 167 SER A C 1 ATOM 1033 O O . SER A 1 140 ? -59.002 15.567 -23.375 1.00 45.89 ? 167 SER A O 1 ATOM 1034 C CB . SER A 1 140 ? -57.950 18.222 -24.877 1.00 46.37 ? 167 SER A CB 1 ATOM 1035 O OG . SER A 1 140 ? -59.057 18.861 -25.495 1.00 46.27 ? 167 SER A OG 1 ATOM 1036 N N . THR A 1 141 ? -60.588 17.172 -23.571 1.00 46.09 ? 168 THR A N 1 ATOM 1037 C CA . THR A 1 141 ? -61.698 16.261 -23.798 1.00 46.09 ? 168 THR A CA 1 ATOM 1038 C C . THR A 1 141 ? -61.742 15.755 -25.248 1.00 46.20 ? 168 THR A C 1 ATOM 1039 O O . THR A 1 141 ? -62.523 14.858 -25.544 1.00 46.96 ? 168 THR A O 1 ATOM 1040 C CB . THR A 1 141 ? -63.036 16.941 -23.467 1.00 46.02 ? 168 THR A CB 1 ATOM 1041 O OG1 . THR A 1 141 ? -63.187 18.120 -24.265 1.00 46.02 ? 168 THR A OG1 1 ATOM 1042 C CG2 . THR A 1 141 ? -63.083 17.327 -22.004 1.00 46.10 ? 168 THR A CG2 1 ATOM 1043 N N . VAL A 1 142 ? -60.928 16.333 -26.140 1.00 46.05 ? 169 VAL A N 1 ATOM 1044 C CA . VAL A 1 142 ? -60.914 15.966 -27.566 1.00 46.51 ? 169 VAL A CA 1 ATOM 1045 C C . VAL A 1 142 ? -59.521 15.707 -28.161 1.00 45.68 ? 169 VAL A C 1 ATOM 1046 O O . VAL A 1 142 ? -58.489 16.051 -27.575 1.00 44.87 ? 169 VAL A O 1 ATOM 1047 C CB . VAL A 1 142 ? -61.643 17.027 -28.435 1.00 47.21 ? 169 VAL A CB 1 ATOM 1048 C CG1 . VAL A 1 142 ? -63.041 17.294 -27.884 1.00 47.91 ? 169 VAL A CG1 1 ATOM 1049 C CG2 . VAL A 1 142 ? -60.840 18.327 -28.542 1.00 47.03 ? 169 VAL A CG2 1 ATOM 1050 N N . ILE A 1 143 ? -59.524 15.107 -29.347 1.00 45.81 ? 170 ILE A N 1 ATOM 1051 C CA . ILE A 1 143 ? -58.302 14.743 -30.055 1.00 45.87 ? 170 ILE A CA 1 ATOM 1052 C C . ILE A 1 143 ? -57.944 15.839 -31.054 1.00 46.20 ? 170 ILE A C 1 ATOM 1053 O O . ILE A 1 143 ? -58.798 16.275 -31.833 1.00 45.81 ? 170 ILE A O 1 ATOM 1054 C CB . ILE A 1 143 ? -58.462 13.389 -30.768 1.00 46.40 ? 170 ILE A CB 1 ATOM 1055 C CG1 . ILE A 1 143 ? -58.755 12.296 -29.731 1.00 46.26 ? 170 ILE A CG1 1 ATOM 1056 C CG2 . ILE A 1 143 ? -57.210 13.052 -31.567 1.00 47.01 ? 170 ILE A CG2 1 ATOM 1057 C CD1 . ILE A 1 143 ? -59.125 10.952 -30.312 1.00 47.07 ? 170 ILE A CD1 1 ATOM 1058 N N . TYR A 1 144 ? -56.687 16.288 -31.013 1.00 46.65 ? 171 TYR A N 1 ATOM 1059 C CA . TYR A 1 144 ? -56.164 17.260 -31.983 1.00 47.96 ? 171 TYR A CA 1 ATOM 1060 C C . TYR A 1 144 ? -55.397 16.569 -33.121 1.00 48.35 ? 171 TYR A C 1 ATOM 1061 O O . TYR A 1 144 ? -54.788 15.507 -32.948 1.00 47.67 ? 171 TYR A O 1 ATOM 1062 C CB . TYR A 1 144 ? -55.289 18.315 -31.291 1.00 48.61 ? 171 TYR A CB 1 ATOM 1063 C CG . TYR A 1 144 ? -56.017 19.017 -30.163 1.00 48.77 ? 171 TYR A CG 1 ATOM 1064 C CD1 . TYR A 1 144 ? -57.182 19.740 -30.413 1.00 49.05 ? 171 TYR A CD1 1 ATOM 1065 C CD2 . TYR A 1 144 ? -55.560 18.940 -28.843 1.00 48.39 ? 171 TYR A CD2 1 ATOM 1066 C CE1 . TYR A 1 144 ? -57.870 20.367 -29.387 1.00 49.42 ? 171 TYR A CE1 1 ATOM 1067 C CE2 . TYR A 1 144 ? -56.241 19.568 -27.812 1.00 48.13 ? 171 TYR A CE2 1 ATOM 1068 C CZ . TYR A 1 144 ? -57.396 20.271 -28.090 1.00 48.62 ? 171 TYR A CZ 1 ATOM 1069 O OH . TYR A 1 144 ? -58.083 20.896 -27.088 1.00 49.59 ? 171 TYR A OH 1 ATOM 1070 N N . ARG A 1 145 ? -55.450 17.188 -34.293 1.00 48.80 ? 172 ARG A N 1 ATOM 1071 C CA . ARG A 1 145 ? -54.834 16.634 -35.482 1.00 49.17 ? 172 ARG A CA 1 ATOM 1072 C C . ARG A 1 145 ? -53.331 16.566 -35.294 1.00 47.65 ? 172 ARG A C 1 ATOM 1073 O O . ARG A 1 145 ? -52.714 17.532 -34.857 1.00 46.81 ? 172 ARG A O 1 ATOM 1074 C CB . ARG A 1 145 ? -55.161 17.508 -36.687 1.00 51.17 ? 172 ARG A CB 1 ATOM 1075 C CG . ARG A 1 145 ? -54.700 16.953 -38.032 1.00 53.55 ? 172 ARG A CG 1 ATOM 1076 C CD . ARG A 1 145 ? -54.598 18.070 -39.048 1.00 55.38 ? 172 ARG A CD 1 ATOM 1077 N NE . ARG A 1 145 ? -55.864 18.798 -39.115 1.00 57.03 ? 172 ARG A NE 1 ATOM 1078 C CZ . ARG A 1 145 ? -56.015 20.069 -39.482 1.00 58.88 ? 172 ARG A CZ 1 ATOM 1079 N NH1 . ARG A 1 145 ? -54.974 20.821 -39.842 1.00 60.56 ? 172 ARG A NH1 1 ATOM 1080 N NH2 . ARG A 1 145 ? -57.233 20.602 -39.477 1.00 59.97 ? 172 ARG A NH2 1 ATOM 1081 N N . GLY A 1 146 ? -52.756 15.413 -35.609 1.00 47.33 ? 173 GLY A N 1 ATOM 1082 C CA . GLY A 1 146 ? -51.311 15.268 -35.728 1.00 47.35 ? 173 GLY A CA 1 ATOM 1083 C C . GLY A 1 146 ? -50.512 15.586 -34.481 1.00 47.00 ? 173 GLY A C 1 ATOM 1084 O O . GLY A 1 146 ? -49.350 15.944 -34.580 1.00 47.35 ? 173 GLY A O 1 ATOM 1085 N N . THR A 1 147 ? -51.138 15.438 -33.316 1.00 46.90 ? 174 THR A N 1 ATOM 1086 C CA . THR A 1 147 ? -50.546 15.800 -32.035 1.00 46.28 ? 174 THR A CA 1 ATOM 1087 C C . THR A 1 147 ? -50.577 14.573 -31.142 1.00 45.83 ? 174 THR A C 1 ATOM 1088 O O . THR A 1 147 ? -51.628 13.967 -30.948 1.00 45.03 ? 174 THR A O 1 ATOM 1089 C CB . THR A 1 147 ? -51.335 16.939 -31.376 1.00 46.34 ? 174 THR A CB 1 ATOM 1090 O OG1 . THR A 1 147 ? -51.479 18.016 -32.316 1.00 47.01 ? 174 THR A OG1 1 ATOM 1091 C CG2 . THR A 1 147 ? -50.615 17.449 -30.125 1.00 46.16 ? 174 THR A CG2 1 ATOM 1092 N N . THR A 1 148 ? -49.419 14.223 -30.593 1.00 46.14 ? 175 THR A N 1 ATOM 1093 C CA . THR A 1 148 ? -49.258 12.981 -29.859 1.00 46.15 ? 175 THR A CA 1 ATOM 1094 C C . THR A 1 148 ? -49.926 13.055 -28.478 1.00 46.27 ? 175 THR A C 1 ATOM 1095 O O . THR A 1 148 ? -49.818 14.062 -27.780 1.00 45.85 ? 175 THR A O 1 ATOM 1096 C CB . THR A 1 148 ? -47.774 12.625 -29.721 1.00 46.52 ? 175 THR A CB 1 ATOM 1097 O OG1 . THR A 1 148 ? -47.202 12.510 -31.028 1.00 46.60 ? 175 THR A OG1 1 ATOM 1098 C CG2 . THR A 1 148 ? -47.590 11.306 -28.973 1.00 47.03 ? 175 THR A CG2 1 ATOM 1099 N N . PHE A 1 149 ? -50.624 11.984 -28.103 1.00 46.55 ? 176 PHE A N 1 ATOM 1100 C CA . PHE A 1 149 ? -51.334 11.939 -26.836 1.00 46.11 ? 176 PHE A CA 1 ATOM 1101 C C . PHE A 1 149 ? -51.350 10.563 -26.200 1.00 46.35 ? 176 PHE A C 1 ATOM 1102 O O . PHE A 1 149 ? -51.259 9.543 -26.894 1.00 46.33 ? 176 PHE A O 1 ATOM 1103 C CB . PHE A 1 149 ? -52.774 12.429 -27.016 1.00 46.00 ? 176 PHE A CB 1 ATOM 1104 C CG . PHE A 1 149 ? -53.649 11.511 -27.833 1.00 45.84 ? 176 PHE A CG 1 ATOM 1105 C CD1 . PHE A 1 149 ? -54.252 10.399 -27.258 1.00 46.13 ? 176 PHE A CD1 1 ATOM 1106 C CD2 . PHE A 1 149 ? -53.910 11.787 -29.159 1.00 46.11 ? 176 PHE A CD2 1 ATOM 1107 C CE1 . PHE A 1 149 ? -55.073 9.563 -28.000 1.00 46.49 ? 176 PHE A CE1 1 ATOM 1108 C CE2 . PHE A 1 149 ? -54.731 10.957 -29.905 1.00 46.96 ? 176 PHE A CE2 1 ATOM 1109 C CZ . PHE A 1 149 ? -55.318 9.843 -29.325 1.00 46.59 ? 176 PHE A CZ 1 ATOM 1110 N N . ALA A 1 150 ? -51.499 10.565 -24.875 1.00 45.90 ? 177 ALA A N 1 ATOM 1111 C CA . ALA A 1 150 ? -51.740 9.359 -24.086 1.00 46.27 ? 177 ALA A CA 1 ATOM 1112 C C . ALA A 1 150 ? -53.139 9.479 -23.500 1.00 45.86 ? 177 ALA A C 1 ATOM 1113 O O . ALA A 1 150 ? -53.542 10.565 -23.093 1.00 45.70 ? 177 ALA A O 1 ATOM 1114 C CB . ALA A 1 150 ? -50.704 9.241 -22.979 1.00 46.47 ? 177 ALA A CB 1 ATOM 1115 N N . GLU A 1 151 ? -53.887 8.380 -23.477 1.00 46.25 ? 178 GLU A N 1 ATOM 1116 C CA . GLU A 1 151 ? -55.188 8.372 -22.807 1.00 46.49 ? 178 GLU A CA 1 ATOM 1117 C C . GLU A 1 151 ? -54.910 8.340 -21.325 1.00 47.08 ? 178 GLU A C 1 ATOM 1118 O O . GLU A 1 151 ? -53.975 7.653 -20.888 1.00 48.28 ? 178 GLU A O 1 ATOM 1119 C CB . GLU A 1 151 ? -56.015 7.143 -23.142 1.00 46.91 ? 178 GLU A CB 1 ATOM 1120 C CG . GLU A 1 151 ? -56.322 6.938 -24.604 1.00 47.12 ? 178 GLU A CG 1 ATOM 1121 C CD . GLU A 1 151 ? -56.782 5.531 -24.856 1.00 47.87 ? 178 GLU A CD 1 ATOM 1122 O OE1 . GLU A 1 151 ? -58.009 5.309 -24.877 1.00 48.18 ? 178 GLU A OE1 1 ATOM 1123 O OE2 . GLU A 1 151 ? -55.917 4.638 -24.991 1.00 48.27 ? 178 GLU A OE2 1 ATOM 1124 N N . GLY A 1 152 ? -55.718 9.056 -20.547 1.00 46.29 ? 179 GLY A N 1 ATOM 1125 C CA . GLY A 1 152 ? -55.479 9.133 -19.111 1.00 45.33 ? 179 GLY A CA 1 ATOM 1126 C C . GLY A 1 152 ? -56.503 9.900 -18.318 1.00 43.93 ? 179 GLY A C 1 ATOM 1127 O O . GLY A 1 152 ? -57.526 10.328 -18.838 1.00 43.71 ? 179 GLY A O 1 ATOM 1128 N N . VAL A 1 153 ? -56.200 10.066 -17.042 1.00 43.49 ? 180 VAL A N 1 ATOM 1129 C CA . VAL A 1 153 ? -57.096 10.722 -16.095 1.00 43.17 ? 180 VAL A CA 1 ATOM 1130 C C . VAL A 1 153 ? -56.280 11.563 -15.116 1.00 42.99 ? 180 VAL A C 1 ATOM 1131 O O . VAL A 1 153 ? -55.054 11.405 -15.023 1.00 43.22 ? 180 VAL A O 1 ATOM 1132 C CB . VAL A 1 153 ? -57.961 9.684 -15.351 1.00 43.35 ? 180 VAL A CB 1 ATOM 1133 C CG1 . VAL A 1 153 ? -59.123 9.237 -16.229 1.00 43.37 ? 180 VAL A CG1 1 ATOM 1134 C CG2 . VAL A 1 153 ? -57.126 8.482 -14.912 1.00 43.59 ? 180 VAL A CG2 1 ATOM 1135 N N . VAL A 1 154 ? -56.955 12.460 -14.401 1.00 42.56 ? 181 VAL A N 1 ATOM 1136 C CA . VAL A 1 154 ? -56.274 13.437 -13.555 1.00 42.36 ? 181 VAL A CA 1 ATOM 1137 C C . VAL A 1 154 ? -56.678 13.309 -12.093 1.00 43.03 ? 181 VAL A C 1 ATOM 1138 O O . VAL A 1 154 ? -57.854 13.109 -11.775 1.00 43.00 ? 181 VAL A O 1 ATOM 1139 C CB . VAL A 1 154 ? -56.522 14.870 -14.045 1.00 41.94 ? 181 VAL A CB 1 ATOM 1140 C CG1 . VAL A 1 154 ? -55.771 15.874 -13.176 1.00 42.07 ? 181 VAL A CG1 1 ATOM 1141 C CG2 . VAL A 1 154 ? -56.085 15.005 -15.501 1.00 41.88 ? 181 VAL A CG2 1 ATOM 1142 N N . ALA A 1 155 ? -55.677 13.426 -11.219 1.00 43.53 ? 182 ALA A N 1 ATOM 1143 C CA . ALA A 1 155 ? -55.860 13.406 -9.776 1.00 44.58 ? 182 ALA A CA 1 ATOM 1144 C C . ALA A 1 155 ? -55.327 14.705 -9.192 1.00 45.17 ? 182 ALA A C 1 ATOM 1145 O O . ALA A 1 155 ? -54.405 15.301 -9.741 1.00 45.09 ? 182 ALA A O 1 ATOM 1146 C CB . ALA A 1 155 ? -55.128 12.219 -9.166 1.00 45.33 ? 182 ALA A CB 1 ATOM 1147 N N . PHE A 1 156 ? -55.916 15.122 -8.071 1.00 46.58 ? 183 PHE A N 1 ATOM 1148 C CA . PHE A 1 156 ? -55.442 16.263 -7.289 1.00 47.00 ? 183 PHE A CA 1 ATOM 1149 C C . PHE A 1 156 ? -55.092 15.791 -5.877 1.00 48.31 ? 183 PHE A C 1 ATOM 1150 O O . PHE A 1 156 ? -55.831 15.007 -5.281 1.00 47.64 ? 183 PHE A O 1 ATOM 1151 C CB . PHE A 1 156 ? -56.498 17.363 -7.273 1.00 46.46 ? 183 PHE A CB 1 ATOM 1152 C CG . PHE A 1 156 ? -56.971 17.739 -8.640 1.00 46.10 ? 183 PHE A CG 1 ATOM 1153 C CD1 . PHE A 1 156 ? -58.086 17.120 -9.196 1.00 46.33 ? 183 PHE A CD1 1 ATOM 1154 C CD2 . PHE A 1 156 ? -56.271 18.673 -9.398 1.00 46.12 ? 183 PHE A CD2 1 ATOM 1155 C CE1 . PHE A 1 156 ? -58.516 17.449 -10.473 1.00 46.18 ? 183 PHE A CE1 1 ATOM 1156 C CE2 . PHE A 1 156 ? -56.689 19.008 -10.677 1.00 45.40 ? 183 PHE A CE2 1 ATOM 1157 C CZ . PHE A 1 156 ? -57.813 18.396 -11.215 1.00 45.93 ? 183 PHE A CZ 1 ATOM 1158 N N . LEU A 1 157 ? -53.961 16.274 -5.365 1.00 49.66 ? 184 LEU A N 1 ATOM 1159 C CA . LEU A 1 157 ? -53.407 15.844 -4.088 1.00 51.35 ? 184 LEU A CA 1 ATOM 1160 C C . LEU A 1 157 ? -52.984 17.023 -3.240 1.00 52.67 ? 184 LEU A C 1 ATOM 1161 O O . LEU A 1 157 ? -52.570 18.048 -3.761 1.00 50.71 ? 184 LEU A O 1 ATOM 1162 C CB . LEU A 1 157 ? -52.145 15.029 -4.315 1.00 52.50 ? 184 LEU A CB 1 ATOM 1163 C CG . LEU A 1 157 ? -52.194 13.808 -5.212 1.00 52.87 ? 184 LEU A CG 1 ATOM 1164 C CD1 . LEU A 1 157 ? -50.778 13.449 -5.602 1.00 53.61 ? 184 LEU A CD1 1 ATOM 1165 C CD2 . LEU A 1 157 ? -52.858 12.643 -4.504 1.00 53.70 ? 184 LEU A CD2 1 ATOM 1166 N N . ILE A 1 158 ? -53.063 16.836 -1.926 1.00 56.47 ? 185 ILE A N 1 ATOM 1167 C CA . ILE A 1 158 ? -52.325 17.635 -0.961 1.00 59.67 ? 185 ILE A CA 1 ATOM 1168 C C . ILE A 1 158 ? -51.194 16.730 -0.500 1.00 60.94 ? 185 ILE A C 1 ATOM 1169 O O . ILE A 1 158 ? -51.424 15.789 0.258 1.00 63.07 ? 185 ILE A O 1 ATOM 1170 C CB . ILE A 1 158 ? -53.187 18.039 0.260 1.00 61.75 ? 185 ILE A CB 1 ATOM 1171 C CG1 . ILE A 1 158 ? -54.518 18.654 -0.182 1.00 62.34 ? 185 ILE A CG1 1 ATOM 1172 C CG2 . ILE A 1 158 ? -52.437 19.029 1.152 1.00 62.36 ? 185 ILE A CG2 1 ATOM 1173 C CD1 . ILE A 1 158 ? -55.378 19.082 0.990 1.00 64.30 ? 185 ILE A CD1 1 ATOM 1174 N N . LEU A 1 159 ? -49.979 17.010 -0.957 1.00 62.52 ? 186 LEU A N 1 ATOM 1175 C CA . LEU A 1 159 ? -48.799 16.281 -0.494 1.00 65.55 ? 186 LEU A CA 1 ATOM 1176 C C . LEU A 1 159 ? -48.444 16.755 0.924 1.00 69.55 ? 186 LEU A C 1 ATOM 1177 O O . LEU A 1 159 ? -48.834 17.856 1.320 1.00 69.54 ? 186 LEU A O 1 ATOM 1178 C CB . LEU A 1 159 ? -47.616 16.507 -1.436 1.00 65.02 ? 186 LEU A CB 1 ATOM 1179 C CG . LEU A 1 159 ? -47.838 16.218 -2.928 1.00 64.88 ? 186 LEU A CG 1 ATOM 1180 C CD1 . LEU A 1 159 ? -46.566 16.490 -3.724 1.00 64.91 ? 186 LEU A CD1 1 ATOM 1181 C CD2 . LEU A 1 159 ? -48.332 14.791 -3.149 1.00 64.98 ? 186 LEU A CD2 1 ATOM 1182 N N . PRO A 1 160 ? -47.714 15.934 1.703 1.00 74.56 ? 187 PRO A N 1 ATOM 1183 C CA . PRO A 1 160 ? -47.217 16.444 2.987 1.00 77.95 ? 187 PRO A CA 1 ATOM 1184 C C . PRO A 1 160 ? -46.077 17.457 2.810 1.00 81.48 ? 187 PRO A C 1 ATOM 1185 O O . PRO A 1 160 ? -45.513 17.577 1.720 1.00 82.16 ? 187 PRO A O 1 ATOM 1186 C CB . PRO A 1 160 ? -46.716 15.181 3.702 1.00 78.51 ? 187 PRO A CB 1 ATOM 1187 C CG . PRO A 1 160 ? -47.266 14.031 2.930 1.00 77.17 ? 187 PRO A CG 1 ATOM 1188 C CD . PRO A 1 160 ? -47.372 14.514 1.524 1.00 75.65 ? 187 PRO A CD 1 ATOM 1189 N N . GLN A 1 161 ? -45.738 18.164 3.881 1.00 86.48 ? 188 GLN A N 1 ATOM 1190 C CA . GLN A 1 161 ? -44.690 19.182 3.827 1.00 91.03 ? 188 GLN A CA 1 ATOM 1191 C C . GLN A 1 161 ? -43.287 18.622 3.522 1.00 94.40 ? 188 GLN A C 1 ATOM 1192 O O . GLN A 1 161 ? -42.521 19.277 2.816 1.00 93.82 ? 188 GLN A O 1 ATOM 1193 C CB . GLN A 1 161 ? -44.648 19.979 5.130 1.00 94.53 ? 188 GLN A CB 1 ATOM 1194 C CG . GLN A 1 161 ? -45.912 20.767 5.437 1.00 95.32 ? 188 GLN A CG 1 ATOM 1195 C CD . GLN A 1 161 ? -45.757 21.627 6.682 1.00 98.81 ? 188 GLN A CD 1 ATOM 1196 O OE1 . GLN A 1 161 ? -46.315 21.319 7.740 1.00 99.77 ? 188 GLN A OE1 1 ATOM 1197 N NE2 . GLN A 1 161 ? -44.976 22.699 6.568 1.00 100.10 ? 188 GLN A NE2 1 ATOM 1198 N N . ALA A 1 162 ? -42.963 17.426 4.034 1.00 98.68 ? 189 ALA A N 1 ATOM 1199 C CA . ALA A 1 162 ? -41.602 16.850 3.923 1.00 103.23 ? 189 ALA A CA 1 ATOM 1200 C C . ALA A 1 162 ? -41.526 15.489 3.187 1.00 105.76 ? 189 ALA A C 1 ATOM 1201 O O . ALA A 1 162 ? -41.335 15.471 1.972 1.00 104.27 ? 189 ALA A O 1 ATOM 1202 C CB . ALA A 1 162 ? -40.950 16.771 5.305 1.00 104.76 ? 189 ALA A CB 1 ATOM 1203 N N . LYS A 1 163 ? -41.667 14.373 3.914 1.00 111.07 ? 190 LYS A N 1 ATOM 1204 C CA . LYS A 1 163 ? -41.460 13.012 3.372 1.00 113.30 ? 190 LYS A CA 1 ATOM 1205 C C . LYS A 1 163 ? -42.740 12.173 3.516 1.00 114.57 ? 190 LYS A C 1 ATOM 1206 O O . LYS A 1 163 ? -43.331 12.111 4.604 1.00 113.20 ? 190 LYS A O 1 ATOM 1207 C CB . LYS A 1 163 ? -40.298 12.322 4.093 1.00 113.83 ? 190 LYS A CB 1 ATOM 1208 N N . LYS A 1 164 ? -43.129 11.502 2.428 1.00 114.13 ? 191 LYS A N 1 ATOM 1209 C CA . LYS A 1 164 ? -44.494 10.988 2.250 1.00 113.24 ? 191 LYS A CA 1 ATOM 1210 C C . LYS A 1 164 ? -44.702 9.462 2.359 1.00 114.10 ? 191 LYS A C 1 ATOM 1211 O O . LYS A 1 164 ? -45.694 8.952 1.834 1.00 112.51 ? 191 LYS A O 1 ATOM 1212 C CB . LYS A 1 164 ? -45.005 11.465 0.881 1.00 111.27 ? 191 LYS A CB 1 ATOM 1213 N N . ASP A 1 165 ? -43.807 8.736 3.039 1.00 117.75 ? 192 ASP A N 1 ATOM 1214 C CA . ASP A 1 165 ? -43.981 7.273 3.228 1.00 118.41 ? 192 ASP A CA 1 ATOM 1215 C C . ASP A 1 165 ? -43.160 6.639 4.371 1.00 121.48 ? 192 ASP A C 1 ATOM 1216 O O . ASP A 1 165 ? -42.185 7.220 4.856 1.00 123.87 ? 192 ASP A O 1 ATOM 1217 C CB . ASP A 1 165 ? -43.739 6.511 1.905 1.00 116.42 ? 192 ASP A CB 1 ATOM 1218 C CG . ASP A 1 165 ? -42.615 7.101 1.074 1.00 115.25 ? 192 ASP A CG 1 ATOM 1219 O OD1 . ASP A 1 165 ? -42.693 7.001 -0.167 1.00 112.60 ? 192 ASP A OD1 1 ATOM 1220 O OD2 . ASP A 1 165 ? -41.666 7.668 1.654 1.00 115.51 ? 192 ASP A OD2 1 ATOM 1221 N N . PHE A 1 166 ? -43.595 5.447 4.791 1.00 121.74 ? 193 PHE A N 1 ATOM 1222 C CA . PHE A 1 166 ? -42.894 4.632 5.787 1.00 122.41 ? 193 PHE A CA 1 ATOM 1223 C C . PHE A 1 166 ? -41.776 3.833 5.109 1.00 125.02 ? 193 PHE A C 1 ATOM 1224 O O . PHE A 1 166 ? -41.810 3.628 3.894 1.00 126.78 ? 193 PHE A O 1 ATOM 1225 C CB . PHE A 1 166 ? -43.884 3.680 6.462 1.00 120.78 ? 193 PHE A CB 1 ATOM 1226 N N . PHE A 1 167 ? -40.786 3.393 5.886 1.00 126.91 ? 194 PHE A N 1 ATOM 1227 C CA . PHE A 1 167 ? -39.689 2.563 5.354 1.00 127.68 ? 194 PHE A CA 1 ATOM 1228 C C . PHE A 1 167 ? -38.886 1.883 6.463 1.00 130.15 ? 194 PHE A C 1 ATOM 1229 O O . PHE A 1 167 ? -38.253 2.544 7.288 1.00 131.61 ? 194 PHE A O 1 ATOM 1230 C CB . PHE A 1 167 ? -38.753 3.402 4.475 1.00 126.93 ? 194 PHE A CB 1 ATOM 1231 N N . SER A 1 184 ? -31.455 5.464 -17.399 1.00 121.42 ? 211 SER A N 1 ATOM 1232 C CA . SER A 1 184 ? -32.146 5.162 -18.649 1.00 118.52 ? 211 SER A CA 1 ATOM 1233 C C . SER A 1 184 ? -32.637 6.447 -19.319 1.00 114.84 ? 211 SER A C 1 ATOM 1234 O O . SER A 1 184 ? -33.510 7.145 -18.780 1.00 113.05 ? 211 SER A O 1 ATOM 1235 C CB . SER A 1 184 ? -33.329 4.219 -18.396 1.00 117.53 ? 211 SER A CB 1 ATOM 1236 O OG . SER A 1 184 ? -32.882 2.921 -18.043 1.00 118.95 ? 211 SER A OG 1 ATOM 1237 N N . GLY A 1 185 ? -32.076 6.745 -20.494 1.00 111.16 ? 212 GLY A N 1 ATOM 1238 C CA . GLY A 1 185 ? -32.475 7.906 -21.289 1.00 105.79 ? 212 GLY A CA 1 ATOM 1239 C C . GLY A 1 185 ? -33.833 7.715 -21.945 1.00 99.37 ? 212 GLY A C 1 ATOM 1240 O O . GLY A 1 185 ? -34.512 6.704 -21.724 1.00 99.00 ? 212 GLY A O 1 ATOM 1241 N N . TYR A 1 186 ? -34.221 8.694 -22.759 1.00 92.54 ? 213 TYR A N 1 ATOM 1242 C CA . TYR A 1 186 ? -35.533 8.704 -23.399 1.00 85.65 ? 213 TYR A CA 1 ATOM 1243 C C . TYR A 1 186 ? -35.409 8.339 -24.878 1.00 85.29 ? 213 TYR A C 1 ATOM 1244 O O . TYR A 1 186 ? -34.782 9.067 -25.647 1.00 85.76 ? 213 TYR A O 1 ATOM 1245 C CB . TYR A 1 186 ? -36.196 10.078 -23.219 1.00 81.24 ? 213 TYR A CB 1 ATOM 1246 C CG . TYR A 1 186 ? -37.486 10.256 -23.995 1.00 76.49 ? 213 TYR A CG 1 ATOM 1247 C CD1 . TYR A 1 186 ? -38.487 9.277 -23.971 1.00 74.45 ? 213 TYR A CD1 1 ATOM 1248 C CD2 . TYR A 1 186 ? -37.713 11.407 -24.750 1.00 74.23 ? 213 TYR A CD2 1 ATOM 1249 C CE1 . TYR A 1 186 ? -39.664 9.437 -24.687 1.00 71.64 ? 213 TYR A CE1 1 ATOM 1250 C CE2 . TYR A 1 186 ? -38.887 11.578 -25.466 1.00 71.82 ? 213 TYR A CE2 1 ATOM 1251 C CZ . TYR A 1 186 ? -39.859 10.594 -25.436 1.00 70.51 ? 213 TYR A CZ 1 ATOM 1252 O OH . TYR A 1 186 ? -41.025 10.768 -26.148 1.00 68.24 ? 213 TYR A OH 1 ATOM 1253 N N . TYR A 1 187 ? -36.005 7.206 -25.255 1.00 84.70 ? 214 TYR A N 1 ATOM 1254 C CA . TYR A 1 187 ? -36.064 6.752 -26.650 1.00 85.07 ? 214 TYR A CA 1 ATOM 1255 C C . TYR A 1 187 ? -37.527 6.644 -27.067 1.00 78.51 ? 214 TYR A C 1 ATOM 1256 O O . TYR A 1 187 ? -38.324 6.016 -26.372 1.00 78.83 ? 214 TYR A O 1 ATOM 1257 C CB . TYR A 1 187 ? -35.396 5.377 -26.823 1.00 90.09 ? 214 TYR A CB 1 ATOM 1258 C CG . TYR A 1 187 ? -34.167 5.150 -25.967 1.00 96.73 ? 214 TYR A CG 1 ATOM 1259 C CD1 . TYR A 1 187 ? -34.255 4.462 -24.751 1.00 98.89 ? 214 TYR A CD1 1 ATOM 1260 C CD2 . TYR A 1 187 ? -32.912 5.618 -26.370 1.00 101.22 ? 214 TYR A CD2 1 ATOM 1261 C CE1 . TYR A 1 187 ? -33.130 4.248 -23.960 1.00 103.16 ? 214 TYR A CE1 1 ATOM 1262 C CE2 . TYR A 1 187 ? -31.780 5.410 -25.585 1.00 105.52 ? 214 TYR A CE2 1 ATOM 1263 C CZ . TYR A 1 187 ? -31.891 4.725 -24.380 1.00 106.52 ? 214 TYR A CZ 1 ATOM 1264 O OH . TYR A 1 187 ? -30.772 4.517 -23.599 1.00 109.60 ? 214 TYR A OH 1 ATOM 1265 N N . SER A 1 188 ? -37.870 7.258 -28.195 1.00 72.98 ? 215 SER A N 1 ATOM 1266 C CA . SER A 1 188 ? -39.216 7.188 -28.754 1.00 67.94 ? 215 SER A CA 1 ATOM 1267 C C . SER A 1 188 ? -39.129 6.618 -30.167 1.00 66.11 ? 215 SER A C 1 ATOM 1268 O O . SER A 1 188 ? -38.259 7.014 -30.933 1.00 67.19 ? 215 SER A O 1 ATOM 1269 C CB . SER A 1 188 ? -39.838 8.580 -28.777 1.00 66.02 ? 215 SER A CB 1 ATOM 1270 O OG . SER A 1 188 ? -41.208 8.519 -29.111 1.00 64.52 ? 215 SER A OG 1 ATOM 1271 N N . THR A 1 189 ? -40.023 5.687 -30.497 1.00 63.20 ? 216 THR A N 1 ATOM 1272 C CA . THR A 1 189 ? -40.053 5.030 -31.806 1.00 62.11 ? 216 THR A CA 1 ATOM 1273 C C . THR A 1 189 ? -41.433 5.212 -32.418 1.00 60.37 ? 216 THR A C 1 ATOM 1274 O O . THR A 1 189 ? -42.447 4.876 -31.796 1.00 59.58 ? 216 THR A O 1 ATOM 1275 C CB . THR A 1 189 ? -39.761 3.519 -31.689 1.00 62.71 ? 216 THR A CB 1 ATOM 1276 O OG1 . THR A 1 189 ? -38.451 3.316 -31.156 1.00 64.41 ? 216 THR A OG1 1 ATOM 1277 C CG2 . THR A 1 189 ? -39.843 2.833 -33.046 1.00 63.33 ? 216 THR A CG2 1 ATOM 1278 N N . THR A 1 190 ? -41.475 5.737 -33.640 1.00 59.30 ? 217 THR A N 1 ATOM 1279 C CA . THR A 1 190 ? -42.741 5.993 -34.312 1.00 57.86 ? 217 THR A CA 1 ATOM 1280 C C . THR A 1 190 ? -43.126 4.765 -35.109 1.00 57.33 ? 217 THR A C 1 ATOM 1281 O O . THR A 1 190 ? -42.279 4.149 -35.733 1.00 60.74 ? 217 THR A O 1 ATOM 1282 C CB . THR A 1 190 ? -42.656 7.239 -35.206 1.00 57.96 ? 217 THR A CB 1 ATOM 1283 O OG1 . THR A 1 190 ? -42.380 8.382 -34.382 1.00 58.02 ? 217 THR A OG1 1 ATOM 1284 C CG2 . THR A 1 190 ? -43.967 7.469 -35.964 1.00 57.39 ? 217 THR A CG2 1 ATOM 1285 N N . ILE A 1 191 ? -44.401 4.406 -35.063 1.00 55.89 ? 218 ILE A N 1 ATOM 1286 C CA . ILE A 1 191 ? -44.922 3.222 -35.735 1.00 55.90 ? 218 ILE A CA 1 ATOM 1287 C C . ILE A 1 191 ? -46.118 3.689 -36.542 1.00 55.93 ? 218 ILE A C 1 ATOM 1288 O O . ILE A 1 191 ? -47.113 4.145 -35.972 1.00 54.89 ? 218 ILE A O 1 ATOM 1289 C CB . ILE A 1 191 ? -45.326 2.137 -34.712 1.00 55.61 ? 218 ILE A CB 1 ATOM 1290 C CG1 . ILE A 1 191 ? -44.094 1.712 -33.903 1.00 56.26 ? 218 ILE A CG1 1 ATOM 1291 C CG2 . ILE A 1 191 ? -45.955 0.919 -35.388 1.00 55.56 ? 218 ILE A CG2 1 ATOM 1292 C CD1 . ILE A 1 191 ? -44.364 0.616 -32.900 1.00 56.75 ? 218 ILE A CD1 1 ATOM 1293 N N . ARG A 1 192 ? -46.011 3.567 -37.864 1.00 57.46 ? 219 ARG A N 1 ATOM 1294 C CA . ARG A 1 192 ? -46.980 4.141 -38.789 1.00 57.56 ? 219 ARG A CA 1 ATOM 1295 C C . ARG A 1 192 ? -48.036 3.120 -39.202 1.00 57.21 ? 219 ARG A C 1 ATOM 1296 O O . ARG A 1 192 ? -47.730 1.946 -39.391 1.00 57.95 ? 219 ARG A O 1 ATOM 1297 C CB . ARG A 1 192 ? -46.256 4.705 -40.006 1.00 59.38 ? 219 ARG A CB 1 ATOM 1298 C CG . ARG A 1 192 ? -45.273 5.804 -39.637 1.00 60.77 ? 219 ARG A CG 1 ATOM 1299 C CD . ARG A 1 192 ? -44.868 6.683 -40.819 1.00 63.31 ? 219 ARG A CD 1 ATOM 1300 N NE . ARG A 1 192 ? -44.576 8.053 -40.377 1.00 64.17 ? 219 ARG A NE 1 ATOM 1301 C CZ . ARG A 1 192 ? -43.481 8.438 -39.708 1.00 65.11 ? 219 ARG A CZ 1 ATOM 1302 N NH1 . ARG A 1 192 ? -43.352 9.717 -39.347 1.00 65.63 ? 219 ARG A NH1 1 ATOM 1303 N NH2 . ARG A 1 192 ? -42.511 7.571 -39.388 1.00 64.77 ? 219 ARG A NH2 1 ATOM 1304 N N . TYR A 1 193 ? -49.274 3.587 -39.330 1.00 56.97 ? 220 TYR A N 1 ATOM 1305 C CA . TYR A 1 193 ? -50.409 2.761 -39.722 1.00 58.00 ? 220 TYR A CA 1 ATOM 1306 C C . TYR A 1 193 ? -51.271 3.472 -40.768 1.00 58.76 ? 220 TYR A C 1 ATOM 1307 O O . TYR A 1 193 ? -51.447 4.685 -40.711 1.00 58.16 ? 220 TYR A O 1 ATOM 1308 C CB . TYR A 1 193 ? -51.305 2.490 -38.513 1.00 58.61 ? 220 TYR A CB 1 ATOM 1309 C CG . TYR A 1 193 ? -50.668 1.781 -37.337 1.00 58.36 ? 220 TYR A CG 1 ATOM 1310 C CD1 . TYR A 1 193 ? -49.981 2.492 -36.348 1.00 57.69 ? 220 TYR A CD1 1 ATOM 1311 C CD2 . TYR A 1 193 ? -50.795 0.406 -37.186 1.00 59.30 ? 220 TYR A CD2 1 ATOM 1312 C CE1 . TYR A 1 193 ? -49.415 1.841 -35.254 1.00 57.65 ? 220 TYR A CE1 1 ATOM 1313 C CE2 . TYR A 1 193 ? -50.233 -0.253 -36.101 1.00 59.70 ? 220 TYR A CE2 1 ATOM 1314 C CZ . TYR A 1 193 ? -49.550 0.464 -35.132 1.00 58.65 ? 220 TYR A CZ 1 ATOM 1315 O OH . TYR A 1 193 ? -49.003 -0.216 -34.068 1.00 57.91 ? 220 TYR A OH 1 ATOM 1316 N N . GLN A 1 194 ? -51.820 2.705 -41.705 1.00 61.43 ? 221 GLN A N 1 ATOM 1317 C CA . GLN A 1 194 ? -52.856 3.186 -42.626 1.00 63.78 ? 221 GLN A CA 1 ATOM 1318 C C . GLN A 1 194 ? -54.189 2.692 -42.089 1.00 63.21 ? 221 GLN A C 1 ATOM 1319 O O . GLN A 1 194 ? -54.267 1.585 -41.569 1.00 63.03 ? 221 GLN A O 1 ATOM 1320 C CB . GLN A 1 194 ? -52.650 2.651 -44.048 1.00 67.24 ? 221 GLN A CB 1 ATOM 1321 C CG . GLN A 1 194 ? -52.102 3.656 -45.055 1.00 69.94 ? 221 GLN A CG 1 ATOM 1322 C CD . GLN A 1 194 ? -52.018 3.080 -46.479 1.00 74.17 ? 221 GLN A CD 1 ATOM 1323 O OE1 . GLN A 1 194 ? -52.749 2.144 -46.845 1.00 74.67 ? 221 GLN A OE1 1 ATOM 1324 N NE2 . GLN A 1 194 ? -51.124 3.645 -47.292 1.00 76.46 ? 221 GLN A NE2 1 ATOM 1325 N N . ALA A 1 195 ? -55.234 3.499 -42.226 1.00 63.24 ? 222 ALA A N 1 ATOM 1326 C CA . ALA A 1 195 ? -56.561 3.114 -41.760 1.00 63.90 ? 222 ALA A CA 1 ATOM 1327 C C . ALA A 1 195 ? -57.632 3.451 -42.786 1.00 65.73 ? 222 ALA A C 1 ATOM 1328 O O . ALA A 1 195 ? -57.522 4.447 -43.496 1.00 66.32 ? 222 ALA A O 1 ATOM 1329 C CB . ALA A 1 195 ? -56.869 3.803 -40.446 1.00 63.08 ? 222 ALA A CB 1 ATOM 1330 N N . THR A 1 196 ? -58.654 2.601 -42.868 1.00 66.77 ? 223 THR A N 1 ATOM 1331 C CA . THR A 1 196 ? -59.877 2.905 -43.611 1.00 68.98 ? 223 THR A CA 1 ATOM 1332 C C . THR A 1 196 ? -61.068 2.596 -42.715 1.00 70.01 ? 223 THR A C 1 ATOM 1333 O O . THR A 1 196 ? -61.006 1.684 -41.885 1.00 68.79 ? 223 THR A O 1 ATOM 1334 C CB . THR A 1 196 ? -59.985 2.090 -44.913 1.00 70.53 ? 223 THR A CB 1 ATOM 1335 O OG1 . THR A 1 196 ? -60.006 0.689 -44.608 1.00 71.53 ? 223 THR A OG1 1 ATOM 1336 C CG2 . THR A 1 196 ? -58.816 2.393 -45.838 1.00 69.81 ? 223 THR A CG2 1 ATOM 1337 N N . GLY A 1 197 ? -62.143 3.363 -42.882 1.00 72.26 ? 224 GLY A N 1 ATOM 1338 C CA . GLY A 1 197 ? -63.347 3.207 -42.071 1.00 74.03 ? 224 GLY A CA 1 ATOM 1339 C C . GLY A 1 197 ? -63.095 3.492 -40.606 1.00 73.44 ? 224 GLY A C 1 ATOM 1340 O O . GLY A 1 197 ? -63.554 2.755 -39.737 1.00 73.33 ? 224 GLY A O 1 ATOM 1341 N N . PHE A 1 198 ? -62.363 4.572 -40.344 1.00 74.38 ? 225 PHE A N 1 ATOM 1342 C CA . PHE A 1 198 ? -61.953 4.939 -38.991 1.00 73.44 ? 225 PHE A CA 1 ATOM 1343 C C . PHE A 1 198 ? -63.157 5.364 -38.154 1.00 76.92 ? 225 PHE A C 1 ATOM 1344 O O . PHE A 1 198 ? -63.992 6.153 -38.614 1.00 77.85 ? 225 PHE A O 1 ATOM 1345 C CB . PHE A 1 198 ? -60.924 6.071 -39.035 1.00 70.80 ? 225 PHE A CB 1 ATOM 1346 C CG . PHE A 1 198 ? -60.428 6.492 -37.683 1.00 68.43 ? 225 PHE A CG 1 ATOM 1347 C CD1 . PHE A 1 198 ? -61.030 7.553 -37.001 1.00 68.13 ? 225 PHE A CD1 1 ATOM 1348 C CD2 . PHE A 1 198 ? -59.362 5.833 -37.084 1.00 66.74 ? 225 PHE A CD2 1 ATOM 1349 C CE1 . PHE A 1 198 ? -60.579 7.944 -35.751 1.00 66.00 ? 225 PHE A CE1 1 ATOM 1350 C CE2 . PHE A 1 198 ? -58.903 6.223 -35.834 1.00 65.52 ? 225 PHE A CE2 1 ATOM 1351 C CZ . PHE A 1 198 ? -59.512 7.279 -35.166 1.00 65.02 ? 225 PHE A CZ 1 ATOM 1352 N N . GLY A 1 199 ? -63.226 4.843 -36.927 1.00 79.04 ? 226 GLY A N 1 ATOM 1353 C CA . GLY A 1 199 ? -64.319 5.144 -36.004 1.00 81.62 ? 226 GLY A CA 1 ATOM 1354 C C . GLY A 1 199 ? -65.662 4.566 -36.417 1.00 85.79 ? 226 GLY A C 1 ATOM 1355 O O . GLY A 1 199 ? -66.694 5.189 -36.177 1.00 87.02 ? 226 GLY A O 1 ATOM 1356 N N . THR A 1 200 ? -65.640 3.387 -37.046 1.00 89.37 ? 227 THR A N 1 ATOM 1357 C CA . THR A 1 200 ? -66.850 2.636 -37.403 1.00 94.39 ? 227 THR A CA 1 ATOM 1358 C C . THR A 1 200 ? -66.703 1.185 -36.947 1.00 99.91 ? 227 THR A C 1 ATOM 1359 O O . THR A 1 200 ? -65.645 0.778 -36.464 1.00 99.75 ? 227 THR A O 1 ATOM 1360 C CB . THR A 1 200 ? -67.122 2.645 -38.927 1.00 94.43 ? 227 THR A CB 1 ATOM 1361 O OG1 . THR A 1 200 ? -66.132 1.860 -39.607 1.00 92.95 ? 227 THR A OG1 1 ATOM 1362 C CG2 . THR A 1 200 ? -67.122 4.056 -39.478 1.00 93.21 ? 227 THR A CG2 1 ATOM 1363 N N . ASN A 1 201 ? -67.778 0.417 -37.098 1.00 108.57 ? 228 ASN A N 1 ATOM 1364 C CA . ASN A 1 201 ? -67.751 -1.032 -36.826 1.00 113.41 ? 228 ASN A CA 1 ATOM 1365 C C . ASN A 1 201 ? -66.796 -1.805 -37.756 1.00 110.73 ? 228 ASN A C 1 ATOM 1366 O O . ASN A 1 201 ? -66.141 -2.743 -37.300 1.00 111.32 ? 228 ASN A O 1 ATOM 1367 C CB . ASN A 1 201 ? -69.165 -1.673 -36.812 1.00 122.93 ? 228 ASN A CB 1 ATOM 1368 C CG . ASN A 1 201 ? -70.143 -1.030 -37.803 1.00 133.80 ? 228 ASN A CG 1 ATOM 1369 O OD1 . ASN A 1 201 ? -69.928 0.102 -38.239 1.00 134.12 ? 228 ASN A OD1 1 ATOM 1370 N ND2 . ASN A 1 201 ? -71.230 -1.734 -38.153 1.00 147.05 ? 228 ASN A ND2 1 ATOM 1371 N N . GLU A 1 202 ? -66.705 -1.408 -39.031 1.00 107.55 ? 229 GLU A N 1 ATOM 1372 C CA . GLU A 1 202 ? -65.794 -2.053 -39.996 1.00 104.52 ? 229 GLU A CA 1 ATOM 1373 C C . GLU A 1 202 ? -64.556 -1.193 -40.302 1.00 98.42 ? 229 GLU A C 1 ATOM 1374 O O . GLU A 1 202 ? -64.355 -0.753 -41.434 1.00 98.37 ? 229 GLU A O 1 ATOM 1375 C CB . GLU A 1 202 ? -66.529 -2.413 -41.303 1.00 108.20 ? 229 GLU A CB 1 ATOM 1376 C CG . GLU A 1 202 ? -67.598 -3.499 -41.179 1.00 111.36 ? 229 GLU A CG 1 ATOM 1377 C CD . GLU A 1 202 ? -69.019 -2.993 -41.396 1.00 114.09 ? 229 GLU A CD 1 ATOM 1378 O OE1 . GLU A 1 202 ? -69.783 -3.659 -42.130 1.00 115.82 ? 229 GLU A OE1 1 ATOM 1379 O OE2 . GLU A 1 202 ? -69.379 -1.933 -40.839 1.00 113.93 ? 229 GLU A OE2 1 ATOM 1380 N N . THR A 1 203 ? -63.726 -0.968 -39.286 1.00 93.06 ? 230 THR A N 1 ATOM 1381 C CA . THR A 1 203 ? -62.432 -0.298 -39.465 1.00 88.87 ? 230 THR A CA 1 ATOM 1382 C C . THR A 1 203 ? -61.379 -1.324 -39.876 1.00 87.10 ? 230 THR A C 1 ATOM 1383 O O . THR A 1 203 ? -61.353 -2.435 -39.351 1.00 87.44 ? 230 THR A O 1 ATOM 1384 C CB . THR A 1 203 ? -61.960 0.417 -38.176 1.00 85.98 ? 230 THR A CB 1 ATOM 1385 O OG1 . THR A 1 203 ? -63.003 1.262 -37.677 1.00 85.43 ? 230 THR A OG1 1 ATOM 1386 C CG2 . THR A 1 203 ? -60.723 1.276 -38.439 1.00 84.09 ? 230 THR A CG2 1 ATOM 1387 N N . GLU A 1 204 ? -60.512 -0.939 -40.808 1.00 85.81 ? 231 GLU A N 1 ATOM 1388 C CA . GLU A 1 204 ? -59.420 -1.791 -41.266 1.00 84.42 ? 231 GLU A CA 1 ATOM 1389 C C . GLU A 1 204 ? -58.098 -1.063 -41.049 1.00 79.00 ? 231 GLU A C 1 ATOM 1390 O O . GLU A 1 204 ? -58.006 0.129 -41.313 1.00 78.85 ? 231 GLU A O 1 ATOM 1391 C CB . GLU A 1 204 ? -59.611 -2.129 -42.744 1.00 88.75 ? 231 GLU A CB 1 ATOM 1392 C CG . GLU A 1 204 ? -59.135 -3.520 -43.119 1.00 92.93 ? 231 GLU A CG 1 ATOM 1393 C CD . GLU A 1 204 ? -60.023 -4.603 -42.534 1.00 96.54 ? 231 GLU A CD 1 ATOM 1394 O OE1 . GLU A 1 204 ? -61.086 -4.888 -43.130 1.00 99.82 ? 231 GLU A OE1 1 ATOM 1395 O OE2 . GLU A 1 204 ? -59.658 -5.160 -41.473 1.00 98.07 ? 231 GLU A OE2 1 ATOM 1396 N N . TYR A 1 205 ? -57.086 -1.786 -40.574 1.00 74.68 ? 232 TYR A N 1 ATOM 1397 C CA . TYR A 1 205 ? -55.780 -1.215 -40.245 1.00 71.21 ? 232 TYR A CA 1 ATOM 1398 C C . TYR A 1 205 ? -54.653 -1.950 -40.952 1.00 69.07 ? 232 TYR A C 1 ATOM 1399 O O . TYR A 1 205 ? -54.671 -3.172 -41.037 1.00 70.39 ? 232 TYR A O 1 ATOM 1400 C CB . TYR A 1 205 ? -55.544 -1.289 -38.732 1.00 71.22 ? 232 TYR A CB 1 ATOM 1401 C CG . TYR A 1 205 ? -56.351 -0.285 -37.948 1.00 71.43 ? 232 TYR A CG 1 ATOM 1402 C CD1 . TYR A 1 205 ? -57.438 -0.680 -37.163 1.00 71.62 ? 232 TYR A CD1 1 ATOM 1403 C CD2 . TYR A 1 205 ? -56.034 1.069 -38.001 1.00 71.37 ? 232 TYR A CD2 1 ATOM 1404 C CE1 . TYR A 1 205 ? -58.182 0.250 -36.453 1.00 72.02 ? 232 TYR A CE1 1 ATOM 1405 C CE2 . TYR A 1 205 ? -56.768 2.005 -37.294 1.00 71.92 ? 232 TYR A CE2 1 ATOM 1406 C CZ . TYR A 1 205 ? -57.841 1.597 -36.524 1.00 72.41 ? 232 TYR A CZ 1 ATOM 1407 O OH . TYR A 1 205 ? -58.560 2.553 -35.838 1.00 73.48 ? 232 TYR A OH 1 ATOM 1408 N N . LEU A 1 206 ? -53.667 -1.202 -41.437 1.00 66.63 ? 233 LEU A N 1 ATOM 1409 C CA . LEU A 1 206 ? -52.457 -1.776 -42.017 1.00 66.42 ? 233 LEU A CA 1 ATOM 1410 C C . LEU A 1 206 ? -51.233 -1.165 -41.367 1.00 64.83 ? 233 LEU A C 1 ATOM 1411 O O . LEU A 1 206 ? -51.100 0.049 -41.328 1.00 63.79 ? 233 LEU A O 1 ATOM 1412 C CB . LEU A 1 206 ? -52.385 -1.499 -43.518 1.00 67.52 ? 233 LEU A CB 1 ATOM 1413 C CG . LEU A 1 206 ? -53.481 -2.052 -44.428 1.00 69.21 ? 233 LEU A CG 1 ATOM 1414 C CD1 . LEU A 1 206 ? -53.186 -1.617 -45.850 1.00 70.62 ? 233 LEU A CD1 1 ATOM 1415 C CD2 . LEU A 1 206 ? -53.594 -3.566 -44.354 1.00 70.30 ? 233 LEU A CD2 1 ATOM 1416 N N . PHE A 1 207 ? -50.338 -2.009 -40.867 1.00 65.19 ? 234 PHE A N 1 ATOM 1417 C CA . PHE A 1 207 ? -49.026 -1.563 -40.393 1.00 65.05 ? 234 PHE A CA 1 ATOM 1418 C C . PHE A 1 207 ? -48.113 -1.269 -41.585 1.00 66.34 ? 234 PHE A C 1 ATOM 1419 O O . PHE A 1 207 ? -47.974 -2.112 -42.466 1.00 67.07 ? 234 PHE A O 1 ATOM 1420 C CB . PHE A 1 207 ? -48.395 -2.637 -39.499 1.00 64.89 ? 234 PHE A CB 1 ATOM 1421 C CG . PHE A 1 207 ? -46.946 -2.397 -39.190 1.00 64.44 ? 234 PHE A CG 1 ATOM 1422 C CD1 . PHE A 1 207 ? -46.530 -1.189 -38.647 1.00 63.55 ? 234 PHE A CD1 1 ATOM 1423 C CD2 . PHE A 1 207 ? -45.996 -3.379 -39.437 1.00 65.38 ? 234 PHE A CD2 1 ATOM 1424 C CE1 . PHE A 1 207 ? -45.193 -0.966 -38.358 1.00 63.94 ? 234 PHE A CE1 1 ATOM 1425 C CE2 . PHE A 1 207 ? -44.658 -3.159 -39.148 1.00 65.85 ? 234 PHE A CE2 1 ATOM 1426 C CZ . PHE A 1 207 ? -44.254 -1.953 -38.605 1.00 64.49 ? 234 PHE A CZ 1 ATOM 1427 N N . GLU A 1 208 ? -47.472 -0.099 -41.576 1.00 67.06 ? 235 GLU A N 1 ATOM 1428 C CA . GLU A 1 208 ? -46.650 0.389 -42.700 1.00 69.13 ? 235 GLU A CA 1 ATOM 1429 C C . GLU A 1 208 ? -45.162 0.051 -42.529 1.00 69.39 ? 235 GLU A C 1 ATOM 1430 O O . GLU A 1 208 ? -44.556 0.419 -41.525 1.00 68.99 ? 235 GLU A O 1 ATOM 1431 C CB . GLU A 1 208 ? -46.835 1.907 -42.833 1.00 70.49 ? 235 GLU A CB 1 ATOM 1432 C CG . GLU A 1 208 ? -46.062 2.593 -43.955 1.00 73.26 ? 235 GLU A CG 1 ATOM 1433 C CD . GLU A 1 208 ? -46.443 4.059 -44.106 1.00 74.92 ? 235 GLU A CD 1 ATOM 1434 O OE1 . GLU A 1 208 ? -47.561 4.338 -44.601 1.00 76.91 ? 235 GLU A OE1 1 ATOM 1435 O OE2 . GLU A 1 208 ? -45.628 4.933 -43.729 1.00 75.79 ? 235 GLU A OE2 1 ATOM 1436 N N . VAL A 1 209 ? -44.589 -0.645 -43.514 1.00 71.20 ? 236 VAL A N 1 ATOM 1437 C CA . VAL A 1 209 ? -43.162 -1.015 -43.528 1.00 72.61 ? 236 VAL A CA 1 ATOM 1438 C C . VAL A 1 209 ? -42.381 -0.006 -44.376 1.00 73.44 ? 236 VAL A C 1 ATOM 1439 O O . VAL A 1 209 ? -41.339 0.499 -43.952 1.00 72.19 ? 236 VAL A O 1 ATOM 1440 C CB . VAL A 1 209 ? -42.964 -2.451 -44.066 1.00 73.78 ? 236 VAL A CB 1 ATOM 1441 C CG1 . VAL A 1 209 ? -41.487 -2.816 -44.160 1.00 74.92 ? 236 VAL A CG1 1 ATOM 1442 C CG2 . VAL A 1 209 ? -43.700 -3.448 -43.179 1.00 73.33 ? 236 VAL A CG2 1 ATOM 1443 N N . ASP A 1 210 ? -42.875 0.233 -45.591 1.00 75.06 ? 237 ASP A N 1 ATOM 1444 C CA . ASP A 1 210 ? -42.522 1.418 -46.392 1.00 76.42 ? 237 ASP A CA 1 ATOM 1445 C C . ASP A 1 210 ? -43.776 1.877 -47.145 1.00 78.58 ? 237 ASP A C 1 ATOM 1446 O O . ASP A 1 210 ? -44.862 1.346 -46.896 1.00 77.46 ? 237 ASP A O 1 ATOM 1447 C CB . ASP A 1 210 ? -41.309 1.163 -47.313 1.00 77.26 ? 237 ASP A CB 1 ATOM 1448 C CG . ASP A 1 210 ? -41.511 0.011 -48.287 1.00 78.04 ? 237 ASP A CG 1 ATOM 1449 O OD1 . ASP A 1 210 ? -42.634 -0.204 -48.789 1.00 77.15 ? 237 ASP A OD1 1 ATOM 1450 O OD2 . ASP A 1 210 ? -40.509 -0.677 -48.572 1.00 79.98 ? 237 ASP A OD2 1 ATOM 1451 N N . ASN A 1 211 ? -43.647 2.851 -48.047 1.00 83.05 ? 238 ASN A N 1 ATOM 1452 C CA . ASN A 1 211 ? -44.815 3.382 -48.773 1.00 85.07 ? 238 ASN A CA 1 ATOM 1453 C C . ASN A 1 211 ? -45.546 2.373 -49.663 1.00 82.31 ? 238 ASN A C 1 ATOM 1454 O O . ASN A 1 211 ? -46.702 2.601 -50.004 1.00 80.80 ? 238 ASN A O 1 ATOM 1455 C CB . ASN A 1 211 ? -44.442 4.634 -49.583 1.00 91.22 ? 238 ASN A CB 1 ATOM 1456 C CG . ASN A 1 211 ? -44.424 5.899 -48.736 1.00 97.62 ? 238 ASN A CG 1 ATOM 1457 O OD1 . ASN A 1 211 ? -45.165 6.016 -47.756 1.00 97.42 ? 238 ASN A OD1 1 ATOM 1458 N ND2 . ASN A 1 211 ? -43.579 6.861 -49.119 1.00 107.41 ? 238 ASN A ND2 1 ATOM 1459 N N . LEU A 1 212 ? -44.889 1.273 -50.026 1.00 81.34 ? 239 LEU A N 1 ATOM 1460 C CA . LEU A 1 212 ? -45.519 0.209 -50.821 1.00 82.08 ? 239 LEU A CA 1 ATOM 1461 C C . LEU A 1 212 ? -45.702 -1.137 -50.105 1.00 80.39 ? 239 LEU A C 1 ATOM 1462 O O . LEU A 1 212 ? -46.335 -2.032 -50.667 1.00 81.35 ? 239 LEU A O 1 ATOM 1463 C CB . LEU A 1 212 ? -44.705 -0.019 -52.099 1.00 84.37 ? 239 LEU A CB 1 ATOM 1464 C CG . LEU A 1 212 ? -44.482 1.206 -52.989 1.00 85.24 ? 239 LEU A CG 1 ATOM 1465 C CD1 . LEU A 1 212 ? -43.488 0.867 -54.088 1.00 87.65 ? 239 LEU A CD1 1 ATOM 1466 C CD2 . LEU A 1 212 ? -45.798 1.703 -53.573 1.00 85.44 ? 239 LEU A CD2 1 ATOM 1467 N N . THR A 1 213 ? -45.167 -1.287 -48.891 1.00 77.60 ? 240 THR A N 1 ATOM 1468 C CA . THR A 1 213 ? -45.183 -2.570 -48.178 1.00 76.93 ? 240 THR A CA 1 ATOM 1469 C C . THR A 1 213 ? -45.909 -2.447 -46.837 1.00 75.47 ? 240 THR A C 1 ATOM 1470 O O . THR A 1 213 ? -45.551 -1.615 -46.000 1.00 73.63 ? 240 THR A O 1 ATOM 1471 C CB . THR A 1 213 ? -43.756 -3.090 -47.930 1.00 77.13 ? 240 THR A CB 1 ATOM 1472 O OG1 . THR A 1 213 ? -42.989 -2.991 -49.135 1.00 77.88 ? 240 THR A OG1 1 ATOM 1473 C CG2 . THR A 1 213 ? -43.783 -4.547 -47.455 1.00 77.01 ? 240 THR A CG2 1 ATOM 1474 N N . TYR A 1 214 ? -46.909 -3.303 -46.636 1.00 75.52 ? 241 TYR A N 1 ATOM 1475 C CA . TYR A 1 214 ? -47.796 -3.231 -45.478 1.00 74.35 ? 241 TYR A CA 1 ATOM 1476 C C . TYR A 1 214 ? -48.068 -4.604 -44.868 1.00 75.59 ? 241 TYR A C 1 ATOM 1477 O O . TYR A 1 214 ? -47.843 -5.631 -45.507 1.00 77.17 ? 241 TYR A O 1 ATOM 1478 C CB . TYR A 1 214 ? -49.111 -2.570 -45.891 1.00 74.45 ? 241 TYR A CB 1 ATOM 1479 C CG . TYR A 1 214 ? -48.932 -1.126 -46.284 1.00 74.27 ? 241 TYR A CG 1 ATOM 1480 C CD1 . TYR A 1 214 ? -48.648 -0.764 -47.604 1.00 75.57 ? 241 TYR A CD1 1 ATOM 1481 C CD2 . TYR A 1 214 ? -49.014 -0.120 -45.331 1.00 73.57 ? 241 TYR A CD2 1 ATOM 1482 C CE1 . TYR A 1 214 ? -48.464 0.566 -47.957 1.00 75.61 ? 241 TYR A CE1 1 ATOM 1483 C CE2 . TYR A 1 214 ? -48.833 1.211 -45.673 1.00 74.02 ? 241 TYR A CE2 1 ATOM 1484 C CZ . TYR A 1 214 ? -48.560 1.551 -46.983 1.00 74.66 ? 241 TYR A CZ 1 ATOM 1485 O OH . TYR A 1 214 ? -48.384 2.876 -47.293 1.00 74.73 ? 241 TYR A OH 1 ATOM 1486 N N . VAL A 1 215 ? -48.538 -4.607 -43.620 1.00 75.29 ? 242 VAL A N 1 ATOM 1487 C CA . VAL A 1 215 ? -48.957 -5.831 -42.930 1.00 75.26 ? 242 VAL A CA 1 ATOM 1488 C C . VAL A 1 215 ? -50.369 -5.625 -42.394 1.00 75.30 ? 242 VAL A C 1 ATOM 1489 O O . VAL A 1 215 ? -50.643 -4.595 -41.785 1.00 73.37 ? 242 VAL A O 1 ATOM 1490 C CB . VAL A 1 215 ? -48.019 -6.172 -41.757 1.00 74.69 ? 242 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 215 ? -48.344 -7.552 -41.199 1.00 76.00 ? 242 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 215 ? -46.563 -6.102 -42.199 1.00 74.92 ? 242 VAL A CG2 1 ATOM 1493 N N . GLN A 1 216 ? -51.259 -6.594 -42.626 1.00 77.87 ? 243 GLN A N 1 ATOM 1494 C CA . GLN A 1 216 ? -52.613 -6.550 -42.048 1.00 78.83 ? 243 GLN A CA 1 ATOM 1495 C C . GLN A 1 216 ? -52.514 -6.595 -40.533 1.00 77.55 ? 243 GLN A C 1 ATOM 1496 O O . GLN A 1 216 ? -51.976 -7.544 -39.973 1.00 77.18 ? 243 GLN A O 1 ATOM 1497 C CB . GLN A 1 216 ? -53.490 -7.713 -42.525 1.00 81.69 ? 243 GLN A CB 1 ATOM 1498 C CG . GLN A 1 216 ? -54.176 -7.486 -43.861 1.00 83.81 ? 243 GLN A CG 1 ATOM 1499 C CD . GLN A 1 216 ? -55.175 -8.589 -44.185 1.00 86.80 ? 243 GLN A CD 1 ATOM 1500 O OE1 . GLN A 1 216 ? -56.075 -8.876 -43.393 1.00 87.96 ? 243 GLN A OE1 1 ATOM 1501 N NE2 . GLN A 1 216 ? -55.019 -9.217 -45.347 1.00 88.52 ? 243 GLN A NE2 1 ATOM 1502 N N . LEU A 1 217 ? -53.030 -5.563 -39.875 1.00 77.47 ? 244 LEU A N 1 ATOM 1503 C CA . LEU A 1 217 ? -52.881 -5.432 -38.434 1.00 76.79 ? 244 LEU A CA 1 ATOM 1504 C C . LEU A 1 217 ? -53.912 -6.272 -37.695 1.00 78.73 ? 244 LEU A C 1 ATOM 1505 O O . LEU A 1 217 ? -55.024 -6.480 -38.178 1.00 80.40 ? 244 LEU A O 1 ATOM 1506 C CB . LEU A 1 217 ? -53.003 -3.969 -38.016 1.00 74.64 ? 244 LEU A CB 1 ATOM 1507 C CG . LEU A 1 217 ? -52.579 -3.638 -36.581 1.00 73.35 ? 244 LEU A CG 1 ATOM 1508 C CD1 . LEU A 1 217 ? -51.082 -3.843 -36.390 1.00 72.65 ? 244 LEU A CD1 1 ATOM 1509 C CD2 . LEU A 1 217 ? -52.997 -2.214 -36.241 1.00 72.51 ? 244 LEU A CD2 1 ATOM 1510 N N . GLU A 1 218 ? -53.513 -6.762 -36.525 1.00 80.02 ? 245 GLU A N 1 ATOM 1511 C CA . GLU A 1 218 ? -54.397 -7.479 -35.618 1.00 80.85 ? 245 GLU A CA 1 ATOM 1512 C C . GLU A 1 218 ? -54.142 -6.990 -34.194 1.00 78.83 ? 245 GLU A C 1 ATOM 1513 O O . GLU A 1 218 ? -53.080 -6.423 -33.901 1.00 77.73 ? 245 GLU A O 1 ATOM 1514 C CB . GLU A 1 218 ? -54.171 -8.985 -35.751 1.00 83.69 ? 245 GLU A CB 1 ATOM 1515 C CG . GLU A 1 218 ? -54.700 -9.563 -37.060 1.00 86.08 ? 245 GLU A CG 1 ATOM 1516 C CD . GLU A 1 218 ? -54.248 -10.990 -37.307 1.00 89.93 ? 245 GLU A CD 1 ATOM 1517 O OE1 . GLU A 1 218 ? -54.085 -11.752 -36.325 1.00 91.50 ? 245 GLU A OE1 1 ATOM 1518 O OE2 . GLU A 1 218 ? -54.060 -11.353 -38.493 1.00 92.64 ? 245 GLU A OE2 1 ATOM 1519 N N . SER A 1 219 ? -55.131 -7.193 -33.324 1.00 78.18 ? 246 SER A N 1 ATOM 1520 C CA . SER A 1 219 ? -55.067 -6.724 -31.936 1.00 76.02 ? 246 SER A CA 1 ATOM 1521 C C . SER A 1 219 ? -53.939 -7.365 -31.142 1.00 75.60 ? 246 SER A C 1 ATOM 1522 O O . SER A 1 219 ? -53.330 -6.710 -30.294 1.00 75.35 ? 246 SER A O 1 ATOM 1523 C CB . SER A 1 219 ? -56.392 -6.977 -31.218 1.00 77.22 ? 246 SER A CB 1 ATOM 1524 O OG . SER A 1 219 ? -57.437 -6.243 -31.822 1.00 77.88 ? 246 SER A OG 1 ATOM 1525 N N . ARG A 1 220 ? -53.656 -8.635 -31.423 1.00 76.13 ? 247 ARG A N 1 ATOM 1526 C CA . ARG A 1 220 ? -52.611 -9.363 -30.703 1.00 77.26 ? 247 ARG A CA 1 ATOM 1527 C C . ARG A 1 220 ? -51.172 -8.922 -31.010 1.00 75.16 ? 247 ARG A C 1 ATOM 1528 O O . ARG A 1 220 ? -50.256 -9.329 -30.288 1.00 76.60 ? 247 ARG A O 1 ATOM 1529 C CB . ARG A 1 220 ? -52.759 -10.879 -30.901 1.00 81.14 ? 247 ARG A CB 1 ATOM 1530 C CG . ARG A 1 220 ? -52.424 -11.408 -32.290 1.00 84.12 ? 247 ARG A CG 1 ATOM 1531 C CD . ARG A 1 220 ? -52.925 -12.836 -32.469 1.00 88.14 ? 247 ARG A CD 1 ATOM 1532 N NE . ARG A 1 220 ? -52.928 -13.252 -33.875 1.00 90.07 ? 247 ARG A NE 1 ATOM 1533 C CZ . ARG A 1 220 ? -51.883 -13.739 -34.549 1.00 92.21 ? 247 ARG A CZ 1 ATOM 1534 N NH1 . ARG A 1 220 ? -52.029 -14.081 -35.831 1.00 94.38 ? 247 ARG A NH1 1 ATOM 1535 N NH2 . ARG A 1 220 ? -50.691 -13.885 -33.971 1.00 92.63 ? 247 ARG A NH2 1 ATOM 1536 N N . PHE A 1 221 ? -50.964 -8.103 -32.051 1.00 71.50 ? 248 PHE A N 1 ATOM 1537 C CA . PHE A 1 221 ? -49.617 -7.627 -32.393 1.00 69.19 ? 248 PHE A CA 1 ATOM 1538 C C . PHE A 1 221 ? -49.166 -6.529 -31.428 1.00 67.17 ? 248 PHE A C 1 ATOM 1539 O O . PHE A 1 221 ? -49.780 -5.453 -31.356 1.00 65.73 ? 248 PHE A O 1 ATOM 1540 C CB . PHE A 1 221 ? -49.527 -7.083 -33.829 1.00 68.71 ? 248 PHE A CB 1 ATOM 1541 C CG . PHE A 1 221 ? -49.865 -8.076 -34.921 1.00 69.79 ? 248 PHE A CG 1 ATOM 1542 C CD1 . PHE A 1 221 ? -50.057 -9.441 -34.679 1.00 70.93 ? 248 PHE A CD1 1 ATOM 1543 C CD2 . PHE A 1 221 ? -49.962 -7.624 -36.231 1.00 69.32 ? 248 PHE A CD2 1 ATOM 1544 C CE1 . PHE A 1 221 ? -50.369 -10.305 -35.711 1.00 71.18 ? 248 PHE A CE1 1 ATOM 1545 C CE2 . PHE A 1 221 ? -50.267 -8.487 -37.263 1.00 69.51 ? 248 PHE A CE2 1 ATOM 1546 C CZ . PHE A 1 221 ? -50.470 -9.827 -37.003 1.00 71.07 ? 248 PHE A CZ 1 ATOM 1547 N N . THR A 1 222 ? -48.080 -6.808 -30.713 1.00 66.31 ? 249 THR A N 1 ATOM 1548 C CA . THR A 1 222 ? -47.481 -5.859 -29.791 1.00 65.15 ? 249 THR A CA 1 ATOM 1549 C C . THR A 1 222 ? -46.538 -4.934 -30.558 1.00 64.62 ? 249 THR A C 1 ATOM 1550 O O . THR A 1 222 ? -46.138 -5.264 -31.672 1.00 65.05 ? 249 THR A O 1 ATOM 1551 C CB . THR A 1 222 ? -46.676 -6.598 -28.711 1.00 66.46 ? 249 THR A CB 1 ATOM 1552 O OG1 . THR A 1 222 ? -45.659 -7.392 -29.334 1.00 67.75 ? 249 THR A OG1 1 ATOM 1553 C CG2 . THR A 1 222 ? -47.587 -7.504 -27.896 1.00 67.14 ? 249 THR A CG2 1 ATOM 1554 N N . PRO A 1 223 ? -46.162 -3.783 -29.965 1.00 64.10 ? 250 PRO A N 1 ATOM 1555 C CA . PRO A 1 223 ? -45.175 -2.904 -30.610 1.00 64.16 ? 250 PRO A CA 1 ATOM 1556 C C . PRO A 1 223 ? -43.839 -3.580 -30.955 1.00 66.63 ? 250 PRO A C 1 ATOM 1557 O O . PRO A 1 223 ? -43.306 -3.349 -32.038 1.00 67.74 ? 250 PRO A O 1 ATOM 1558 C CB . PRO A 1 223 ? -44.963 -1.795 -29.575 1.00 63.41 ? 250 PRO A CB 1 ATOM 1559 C CG . PRO A 1 223 ? -46.225 -1.778 -28.780 1.00 62.59 ? 250 PRO A CG 1 ATOM 1560 C CD . PRO A 1 223 ? -46.663 -3.203 -28.703 1.00 63.37 ? 250 PRO A CD 1 ATOM 1561 N N . GLN A 1 224 ? -43.334 -4.428 -30.060 1.00 69.32 ? 251 GLN A N 1 ATOM 1562 C CA . GLN A 1 224 ? -42.028 -5.075 -30.231 1.00 71.65 ? 251 GLN A CA 1 ATOM 1563 C C . GLN A 1 224 ? -42.096 -6.126 -31.328 1.00 71.86 ? 251 GLN A C 1 ATOM 1564 O O . GLN A 1 224 ? -41.104 -6.360 -32.022 1.00 73.34 ? 251 GLN A O 1 ATOM 1565 C CB . GLN A 1 224 ? -41.531 -5.734 -28.937 1.00 74.71 ? 251 GLN A CB 1 ATOM 1566 C CG . GLN A 1 224 ? -41.358 -4.795 -27.742 1.00 77.09 ? 251 GLN A CG 1 ATOM 1567 C CD . GLN A 1 224 ? -42.653 -4.494 -26.968 1.00 77.47 ? 251 GLN A CD 1 ATOM 1568 O OE1 . GLN A 1 224 ? -43.704 -5.095 -27.213 1.00 78.14 ? 251 GLN A OE1 1 ATOM 1569 N NE2 . GLN A 1 224 ? -42.578 -3.545 -26.038 1.00 78.15 ? 251 GLN A NE2 1 ATOM 1570 N N . PHE A 1 225 ? -43.255 -6.767 -31.475 1.00 70.50 ? 252 PHE A N 1 ATOM 1571 C CA . PHE A 1 225 ? -43.471 -7.699 -32.576 1.00 71.24 ? 252 PHE A CA 1 ATOM 1572 C C . PHE A 1 225 ? -43.481 -6.978 -33.922 1.00 70.39 ? 252 PHE A C 1 ATOM 1573 O O . PHE A 1 225 ? -42.935 -7.495 -34.895 1.00 72.13 ? 252 PHE A O 1 ATOM 1574 C CB . PHE A 1 225 ? -44.768 -8.491 -32.403 1.00 71.51 ? 252 PHE A CB 1 ATOM 1575 C CG . PHE A 1 225 ? -45.070 -9.406 -33.561 1.00 72.76 ? 252 PHE A CG 1 ATOM 1576 C CD1 . PHE A 1 225 ? -44.285 -10.531 -33.794 1.00 74.88 ? 252 PHE A CD1 1 ATOM 1577 C CD2 . PHE A 1 225 ? -46.123 -9.133 -34.430 1.00 72.32 ? 252 PHE A CD2 1 ATOM 1578 C CE1 . PHE A 1 225 ? -44.549 -11.373 -34.865 1.00 76.15 ? 252 PHE A CE1 1 ATOM 1579 C CE2 . PHE A 1 225 ? -46.395 -9.971 -35.501 1.00 73.61 ? 252 PHE A CE2 1 ATOM 1580 C CZ . PHE A 1 225 ? -45.606 -11.091 -35.721 1.00 75.56 ? 252 PHE A CZ 1 ATOM 1581 N N . LEU A 1 226 ? -44.101 -5.798 -33.975 1.00 68.35 ? 253 LEU A N 1 ATOM 1582 C CA . LEU A 1 226 ? -44.155 -5.012 -35.208 1.00 67.16 ? 253 LEU A CA 1 ATOM 1583 C C . LEU A 1 226 ? -42.759 -4.554 -35.620 1.00 68.08 ? 253 LEU A C 1 ATOM 1584 O O . LEU A 1 226 ? -42.398 -4.680 -36.787 1.00 68.51 ? 253 LEU A O 1 ATOM 1585 C CB . LEU A 1 226 ? -45.104 -3.811 -35.074 1.00 64.86 ? 253 LEU A CB 1 ATOM 1586 C CG . LEU A 1 226 ? -46.594 -4.138 -34.905 1.00 64.10 ? 253 LEU A CG 1 ATOM 1587 C CD1 . LEU A 1 226 ? -47.378 -2.909 -34.478 1.00 62.60 ? 253 LEU A CD1 1 ATOM 1588 C CD2 . LEU A 1 226 ? -47.195 -4.717 -36.176 1.00 64.56 ? 253 LEU A CD2 1 ATOM 1589 N N . LEU A 1 227 ? -41.974 -4.046 -34.670 1.00 68.94 ? 254 LEU A N 1 ATOM 1590 C CA . LEU A 1 227 ? -40.598 -3.633 -34.958 1.00 71.18 ? 254 LEU A CA 1 ATOM 1591 C C . LEU A 1 227 ? -39.699 -4.799 -35.370 1.00 75.09 ? 254 LEU A C 1 ATOM 1592 O O . LEU A 1 227 ? -38.812 -4.618 -36.205 1.00 75.76 ? 254 LEU A O 1 ATOM 1593 C CB . LEU A 1 227 ? -39.968 -2.918 -33.765 1.00 71.20 ? 254 LEU A CB 1 ATOM 1594 C CG . LEU A 1 227 ? -40.580 -1.597 -33.310 1.00 70.38 ? 254 LEU A CG 1 ATOM 1595 C CD1 . LEU A 1 227 ? -39.650 -0.951 -32.292 1.00 71.10 ? 254 LEU A CD1 1 ATOM 1596 C CD2 . LEU A 1 227 ? -40.850 -0.658 -34.476 1.00 69.98 ? 254 LEU A CD2 1 ATOM 1597 N N . GLN A 1 228 ? -39.920 -5.972 -34.773 1.00 78.67 ? 255 GLN A N 1 ATOM 1598 C CA . GLN A 1 228 ? -39.210 -7.202 -35.159 1.00 82.55 ? 255 GLN A CA 1 ATOM 1599 C C . GLN A 1 228 ? -39.617 -7.702 -36.545 1.00 82.07 ? 255 GLN A C 1 ATOM 1600 O O . GLN A 1 228 ? -38.764 -8.114 -37.328 1.00 84.37 ? 255 GLN A O 1 ATOM 1601 C CB . GLN A 1 228 ? -39.422 -8.314 -34.124 1.00 86.08 ? 255 GLN A CB 1 ATOM 1602 C CG . GLN A 1 228 ? -38.537 -8.170 -32.893 1.00 89.69 ? 255 GLN A CG 1 ATOM 1603 C CD . GLN A 1 228 ? -38.855 -9.171 -31.790 1.00 93.11 ? 255 GLN A CD 1 ATOM 1604 O OE1 . GLN A 1 228 ? -39.831 -9.924 -31.866 1.00 94.73 ? 255 GLN A OE1 1 ATOM 1605 N NE2 . GLN A 1 228 ? -38.027 -9.178 -30.750 1.00 95.52 ? 255 GLN A NE2 1 ATOM 1606 N N . LEU A 1 229 ? -40.914 -7.671 -36.838 1.00 80.29 ? 256 LEU A N 1 ATOM 1607 C CA . LEU A 1 229 ? -41.418 -8.036 -38.161 1.00 80.57 ? 256 LEU A CA 1 ATOM 1608 C C . LEU A 1 229 ? -40.873 -7.090 -39.234 1.00 81.30 ? 256 LEU A C 1 ATOM 1609 O O . LEU A 1 229 ? -40.410 -7.537 -40.282 1.00 83.17 ? 256 LEU A O 1 ATOM 1610 C CB . LEU A 1 229 ? -42.950 -8.026 -38.167 1.00 79.58 ? 256 LEU A CB 1 ATOM 1611 C CG . LEU A 1 229 ? -43.677 -8.532 -39.413 1.00 79.92 ? 256 LEU A CG 1 ATOM 1612 C CD1 . LEU A 1 229 ? -43.311 -9.975 -39.712 1.00 81.93 ? 256 LEU A CD1 1 ATOM 1613 C CD2 . LEU A 1 229 ? -45.176 -8.398 -39.221 1.00 79.34 ? 256 LEU A CD2 1 ATOM 1614 N N . ASN A 1 230 ? -40.923 -5.790 -38.958 1.00 81.42 ? 257 ASN A N 1 ATOM 1615 C CA . ASN A 1 230 ? -40.341 -4.769 -39.834 1.00 83.04 ? 257 ASN A CA 1 ATOM 1616 C C . ASN A 1 230 ? -38.860 -5.038 -40.104 1.00 85.55 ? 257 ASN A C 1 ATOM 1617 O O . ASN A 1 230 ? -38.433 -5.072 -41.254 1.00 87.17 ? 257 ASN A O 1 ATOM 1618 C CB . ASN A 1 230 ? -40.510 -3.383 -39.209 1.00 82.03 ? 257 ASN A CB 1 ATOM 1619 C CG . ASN A 1 230 ? -39.846 -2.291 -40.020 1.00 83.16 ? 257 ASN A CG 1 ATOM 1620 O OD1 . ASN A 1 230 ? -40.414 -1.804 -40.991 1.00 81.43 ? 257 ASN A OD1 1 ATOM 1621 N ND2 . ASN A 1 230 ? -38.641 -1.901 -39.620 1.00 86.84 ? 257 ASN A ND2 1 ATOM 1622 N N . GLU A 1 231 ? -38.098 -5.234 -39.030 1.00 87.49 ? 258 GLU A N 1 ATOM 1623 C CA . GLU A 1 231 ? -36.670 -5.577 -39.097 1.00 90.54 ? 258 GLU A CA 1 ATOM 1624 C C . GLU A 1 231 ? -36.409 -6.798 -39.986 1.00 90.71 ? 258 GLU A C 1 ATOM 1625 O O . GLU A 1 231 ? -35.469 -6.799 -40.777 1.00 91.28 ? 258 GLU A O 1 ATOM 1626 C CB . GLU A 1 231 ? -36.135 -5.827 -37.674 1.00 94.48 ? 258 GLU A CB 1 ATOM 1627 C CG . GLU A 1 231 ? -34.659 -6.198 -37.542 1.00 100.12 ? 258 GLU A CG 1 ATOM 1628 C CD . GLU A 1 231 ? -33.721 -5.172 -38.157 1.00 104.35 ? 258 GLU A CD 1 ATOM 1629 O OE1 . GLU A 1 231 ? -32.665 -5.588 -38.693 1.00 108.82 ? 258 GLU A OE1 1 ATOM 1630 O OE2 . GLU A 1 231 ? -34.037 -3.956 -38.113 1.00 105.03 ? 258 GLU A OE2 1 ATOM 1631 N N . THR A 1 232 ? -37.247 -7.824 -39.847 1.00 89.13 ? 259 THR A N 1 ATOM 1632 C CA . THR A 1 232 ? -37.143 -9.047 -40.648 1.00 89.61 ? 259 THR A CA 1 ATOM 1633 C C . THR A 1 232 ? -37.444 -8.799 -42.127 1.00 88.71 ? 259 THR A C 1 ATOM 1634 O O . THR A 1 232 ? -36.751 -9.340 -42.986 1.00 89.29 ? 259 THR A O 1 ATOM 1635 C CB . THR A 1 232 ? -38.062 -10.164 -40.090 1.00 89.53 ? 259 THR A CB 1 ATOM 1636 O OG1 . THR A 1 232 ? -37.556 -10.589 -38.821 1.00 90.95 ? 259 THR A OG1 1 ATOM 1637 C CG2 . THR A 1 232 ? -38.126 -11.383 -41.009 1.00 90.54 ? 259 THR A CG2 1 ATOM 1638 N N . ILE A 1 233 ? -38.465 -7.990 -42.416 1.00 86.30 ? 260 ILE A N 1 ATOM 1639 C CA . ILE A 1 233 ? -38.864 -7.701 -43.804 1.00 85.60 ? 260 ILE A CA 1 ATOM 1640 C C . ILE A 1 233 ? -37.745 -6.980 -44.564 1.00 85.70 ? 260 ILE A C 1 ATOM 1641 O O . ILE A 1 233 ? -37.398 -7.380 -45.677 1.00 87.01 ? 260 ILE A O 1 ATOM 1642 C CB . ILE A 1 233 ? -40.204 -6.919 -43.864 1.00 83.90 ? 260 ILE A CB 1 ATOM 1643 C CG1 . ILE A 1 233 ? -41.358 -7.850 -43.472 1.00 83.97 ? 260 ILE A CG1 1 ATOM 1644 C CG2 . ILE A 1 233 ? -40.467 -6.342 -45.255 1.00 83.63 ? 260 ILE A CG2 1 ATOM 1645 C CD1 . ILE A 1 233 ? -42.630 -7.138 -43.068 1.00 83.00 ? 260 ILE A CD1 1 ATOM 1646 N N . TYR A 1 234 ? -37.181 -5.938 -43.959 1.00 84.20 ? 261 TYR A N 1 ATOM 1647 C CA . TYR A 1 234 ? -36.046 -5.228 -44.555 1.00 85.29 ? 261 TYR A CA 1 ATOM 1648 C C . TYR A 1 234 ? -34.802 -6.120 -44.748 1.00 88.99 ? 261 TYR A C 1 ATOM 1649 O O . TYR A 1 234 ? -34.164 -6.053 -45.801 1.00 90.70 ? 261 TYR A O 1 ATOM 1650 C CB . TYR A 1 234 ? -35.677 -3.989 -43.733 1.00 83.52 ? 261 TYR A CB 1 ATOM 1651 C CG . TYR A 1 234 ? -36.471 -2.747 -44.072 1.00 80.66 ? 261 TYR A CG 1 ATOM 1652 C CD1 . TYR A 1 234 ? -37.709 -2.501 -43.488 1.00 78.56 ? 261 TYR A CD1 1 ATOM 1653 C CD2 . TYR A 1 234 ? -35.967 -1.798 -44.955 1.00 80.50 ? 261 TYR A CD2 1 ATOM 1654 C CE1 . TYR A 1 234 ? -38.428 -1.352 -43.787 1.00 76.93 ? 261 TYR A CE1 1 ATOM 1655 C CE2 . TYR A 1 234 ? -36.677 -0.648 -45.258 1.00 79.30 ? 261 TYR A CE2 1 ATOM 1656 C CZ . TYR A 1 234 ? -37.905 -0.431 -44.668 1.00 77.20 ? 261 TYR A CZ 1 ATOM 1657 O OH . TYR A 1 234 ? -38.616 0.697 -44.965 1.00 76.61 ? 261 TYR A OH 1 ATOM 1658 N N . THR A 1 235 ? -34.473 -6.945 -43.748 1.00 91.06 ? 262 THR A N 1 ATOM 1659 C CA . THR A 1 235 ? -33.275 -7.810 -43.791 1.00 94.64 ? 262 THR A CA 1 ATOM 1660 C C . THR A 1 235 ? -33.490 -9.201 -44.415 1.00 97.01 ? 262 THR A C 1 ATOM 1661 O O . THR A 1 235 ? -32.523 -9.949 -44.580 1.00 100.18 ? 262 THR A O 1 ATOM 1662 C CB . THR A 1 235 ? -32.642 -8.006 -42.393 1.00 95.54 ? 262 THR A CB 1 ATOM 1663 O OG1 . THR A 1 235 ? -33.565 -8.681 -41.528 1.00 96.34 ? 262 THR A OG1 1 ATOM 1664 C CG2 . THR A 1 235 ? -32.235 -6.667 -41.785 1.00 94.76 ? 262 THR A CG2 1 ATOM 1665 N N . SER A 1 236 ? -34.733 -9.560 -44.737 1.00 96.38 ? 263 SER A N 1 ATOM 1666 C CA . SER A 1 236 ? -35.017 -10.740 -45.574 1.00 96.87 ? 263 SER A CA 1 ATOM 1667 C C . SER A 1 236 ? -35.343 -10.354 -47.021 1.00 96.53 ? 263 SER A C 1 ATOM 1668 O O . SER A 1 236 ? -35.534 -11.232 -47.863 1.00 97.80 ? 263 SER A O 1 ATOM 1669 C CB . SER A 1 236 ? -36.176 -11.551 -44.991 1.00 96.36 ? 263 SER A CB 1 ATOM 1670 O OG . SER A 1 236 ? -35.951 -11.857 -43.626 1.00 97.01 ? 263 SER A OG 1 ATOM 1671 N N . GLY A 1 237 ? -35.406 -9.050 -47.307 1.00 95.57 ? 264 GLY A N 1 ATOM 1672 C CA . GLY A 1 237 ? -35.761 -8.551 -48.632 1.00 95.11 ? 264 GLY A CA 1 ATOM 1673 C C . GLY A 1 237 ? -37.149 -8.988 -49.052 1.00 93.92 ? 264 GLY A C 1 ATOM 1674 O O . GLY A 1 237 ? -37.301 -9.663 -50.059 1.00 94.80 ? 264 GLY A O 1 ATOM 1675 N N . LYS A 1 238 ? -38.153 -8.621 -48.260 1.00 92.27 ? 265 LYS A N 1 ATOM 1676 C CA . LYS A 1 238 ? -39.550 -8.981 -48.527 1.00 91.44 ? 265 LYS A CA 1 ATOM 1677 C C . LYS A 1 238 ? -40.406 -7.735 -48.727 1.00 88.90 ? 265 LYS A C 1 ATOM 1678 O O . LYS A 1 238 ? -41.616 -7.751 -48.482 1.00 86.47 ? 265 LYS A O 1 ATOM 1679 C CB . LYS A 1 238 ? -40.105 -9.838 -47.381 1.00 92.10 ? 265 LYS A CB 1 ATOM 1680 C CG . LYS A 1 238 ? -39.265 -11.064 -47.041 1.00 94.66 ? 265 LYS A CG 1 ATOM 1681 C CD . LYS A 1 238 ? -39.217 -12.066 -48.187 1.00 96.90 ? 265 LYS A CD 1 ATOM 1682 C CE . LYS A 1 238 ? -38.332 -13.261 -47.867 1.00 98.99 ? 265 LYS A CE 1 ATOM 1683 N NZ . LYS A 1 238 ? -37.946 -13.996 -49.106 1.00 100.49 ? 265 LYS A NZ 1 ATOM 1684 N N . ARG A 1 239 ? -39.771 -6.661 -49.193 1.00 89.02 ? 266 ARG A N 1 ATOM 1685 C CA . ARG A 1 239 ? -40.460 -5.415 -49.494 1.00 88.13 ? 266 ARG A CA 1 ATOM 1686 C C . ARG A 1 239 ? -40.926 -5.472 -50.936 1.00 89.92 ? 266 ARG A C 1 ATOM 1687 O O . ARG A 1 239 ? -40.387 -6.242 -51.737 1.00 91.12 ? 266 ARG A O 1 ATOM 1688 C CB . ARG A 1 239 ? -39.529 -4.223 -49.270 1.00 87.21 ? 266 ARG A CB 1 ATOM 1689 C CG . ARG A 1 239 ? -38.982 -4.137 -47.847 1.00 86.29 ? 266 ARG A CG 1 ATOM 1690 C CD . ARG A 1 239 ? -37.748 -3.263 -47.778 1.00 86.32 ? 266 ARG A CD 1 ATOM 1691 N NE . ARG A 1 239 ? -38.068 -1.898 -48.180 1.00 85.64 ? 266 ARG A NE 1 ATOM 1692 C CZ . ARG A 1 239 ? -37.196 -0.999 -48.635 1.00 86.36 ? 266 ARG A CZ 1 ATOM 1693 N NH1 . ARG A 1 239 ? -35.897 -1.283 -48.767 1.00 87.88 ? 266 ARG A NH1 1 ATOM 1694 N NH2 . ARG A 1 239 ? -37.636 0.211 -48.967 1.00 85.74 ? 266 ARG A NH2 1 ATOM 1695 N N . SER A 1 240 ? -41.946 -4.680 -51.254 1.00 90.92 ? 267 SER A N 1 ATOM 1696 C CA . SER A 1 240 ? -42.429 -4.560 -52.627 1.00 93.49 ? 267 SER A CA 1 ATOM 1697 C C . SER A 1 240 ? -41.291 -4.074 -53.511 1.00 97.37 ? 267 SER A C 1 ATOM 1698 O O . SER A 1 240 ? -40.763 -2.984 -53.296 1.00 98.11 ? 267 SER A O 1 ATOM 1699 C CB . SER A 1 240 ? -43.596 -3.570 -52.715 1.00 91.94 ? 267 SER A CB 1 ATOM 1700 O OG . SER A 1 240 ? -43.969 -3.321 -54.061 1.00 91.84 ? 267 SER A OG 1 ATOM 1701 N N . ASN A 1 241 ? -40.907 -4.899 -54.484 1.00 102.67 ? 268 ASN A N 1 ATOM 1702 C CA . ASN A 1 241 ? -39.930 -4.497 -55.510 1.00 106.62 ? 268 ASN A CA 1 ATOM 1703 C C . ASN A 1 241 ? -40.641 -4.330 -56.858 1.00 104.97 ? 268 ASN A C 1 ATOM 1704 O O . ASN A 1 241 ? -40.226 -4.882 -57.876 1.00 106.90 ? 268 ASN A O 1 ATOM 1705 C CB . ASN A 1 241 ? -38.714 -5.451 -55.576 1.00 110.93 ? 268 ASN A CB 1 ATOM 1706 C CG . ASN A 1 241 ? -39.095 -6.907 -55.510 1.00 115.43 ? 268 ASN A CG 1 ATOM 1707 O OD1 . ASN A 1 241 ? -40.237 -7.270 -55.790 1.00 114.08 ? 268 ASN A OD1 1 ATOM 1708 N ND2 . ASN A 1 241 ? -38.134 -7.754 -55.133 1.00 123.96 ? 268 ASN A ND2 1 ATOM 1709 N N . THR A 1 242 ? -41.738 -3.573 -56.822 1.00 101.48 ? 269 THR A N 1 ATOM 1710 C CA . THR A 1 242 ? -42.457 -3.114 -58.003 1.00 100.47 ? 269 THR A CA 1 ATOM 1711 C C . THR A 1 242 ? -42.961 -1.695 -57.703 1.00 99.05 ? 269 THR A C 1 ATOM 1712 O O . THR A 1 242 ? -42.623 -1.110 -56.666 1.00 96.32 ? 269 THR A O 1 ATOM 1713 C CB . THR A 1 242 ? -43.651 -4.042 -58.356 1.00 100.29 ? 269 THR A CB 1 ATOM 1714 O OG1 . THR A 1 242 ? -44.616 -4.024 -57.299 1.00 98.88 ? 269 THR A OG1 1 ATOM 1715 C CG2 . THR A 1 242 ? -43.203 -5.474 -58.590 1.00 101.03 ? 269 THR A CG2 1 ATOM 1716 N N . THR A 1 243 ? -43.751 -1.149 -58.624 1.00 100.52 ? 270 THR A N 1 ATOM 1717 C CA . THR A 1 243 ? -44.498 0.096 -58.411 1.00 99.39 ? 270 THR A CA 1 ATOM 1718 C C . THR A 1 243 ? -45.723 -0.097 -57.502 1.00 96.56 ? 270 THR A C 1 ATOM 1719 O O . THR A 1 243 ? -46.237 0.880 -56.947 1.00 93.92 ? 270 THR A O 1 ATOM 1720 C CB . THR A 1 243 ? -44.995 0.669 -59.765 1.00 101.43 ? 270 THR A CB 1 ATOM 1721 O OG1 . THR A 1 243 ? -43.997 0.462 -60.772 1.00 103.19 ? 270 THR A OG1 1 ATOM 1722 C CG2 . THR A 1 243 ? -45.320 2.168 -59.661 1.00 101.47 ? 270 THR A CG2 1 ATOM 1723 N N . GLY A 1 244 ? -46.186 -1.345 -57.363 1.00 95.90 ? 271 GLY A N 1 ATOM 1724 C CA . GLY A 1 244 ? -47.452 -1.664 -56.693 1.00 95.06 ? 271 GLY A CA 1 ATOM 1725 C C . GLY A 1 244 ? -47.421 -1.937 -55.192 1.00 92.29 ? 271 GLY A C 1 ATOM 1726 O O . GLY A 1 244 ? -46.359 -2.112 -54.583 1.00 89.54 ? 271 GLY A O 1 ATOM 1727 N N . LYS A 1 245 ? -48.621 -2.002 -54.622 1.00 91.23 ? 272 LYS A N 1 ATOM 1728 C CA . LYS A 1 245 ? -48.820 -2.138 -53.186 1.00 90.17 ? 272 LYS A CA 1 ATOM 1729 C C . LYS A 1 245 ? -48.768 -3.625 -52.802 1.00 89.67 ? 272 LYS A C 1 ATOM 1730 O O . LYS A 1 245 ? -49.406 -4.453 -53.451 1.00 91.22 ? 272 LYS A O 1 ATOM 1731 C CB . LYS A 1 245 ? -50.170 -1.517 -52.788 1.00 90.72 ? 272 LYS A CB 1 ATOM 1732 C CG . LYS A 1 245 ? -50.155 -0.792 -51.454 1.00 90.18 ? 272 LYS A CG 1 ATOM 1733 C CD . LYS A 1 245 ? -51.527 -0.227 -51.095 1.00 90.86 ? 272 LYS A CD 1 ATOM 1734 C CE . LYS A 1 245 ? -51.526 0.440 -49.721 1.00 88.36 ? 272 LYS A CE 1 ATOM 1735 N NZ . LYS A 1 245 ? -52.896 0.629 -49.179 1.00 87.34 ? 272 LYS A NZ 1 ATOM 1736 N N . LEU A 1 246 ? -48.000 -3.943 -51.757 1.00 87.75 ? 273 LEU A N 1 ATOM 1737 C CA . LEU A 1 246 ? -47.846 -5.313 -51.241 1.00 86.69 ? 273 LEU A CA 1 ATOM 1738 C C . LEU A 1 246 ? -48.316 -5.381 -49.782 1.00 85.21 ? 273 LEU A C 1 ATOM 1739 O O . LEU A 1 246 ? -47.746 -4.722 -48.911 1.00 83.20 ? 273 LEU A O 1 ATOM 1740 C CB . LEU A 1 246 ? -46.380 -5.749 -51.334 1.00 85.86 ? 273 LEU A CB 1 ATOM 1741 C CG . LEU A 1 246 ? -45.996 -7.134 -50.798 1.00 85.45 ? 273 LEU A CG 1 ATOM 1742 C CD1 . LEU A 1 246 ? -46.785 -8.244 -51.482 1.00 86.30 ? 273 LEU A CD1 1 ATOM 1743 C CD2 . LEU A 1 246 ? -44.497 -7.344 -50.950 1.00 85.53 ? 273 LEU A CD2 1 ATOM 1744 N N . ILE A 1 247 ? -49.342 -6.190 -49.531 1.00 85.47 ? 274 ILE A N 1 ATOM 1745 C CA . ILE A 1 247 ? -49.937 -6.338 -48.209 1.00 84.25 ? 274 ILE A CA 1 ATOM 1746 C C . ILE A 1 247 ? -49.703 -7.766 -47.710 1.00 86.14 ? 274 ILE A C 1 ATOM 1747 O O . ILE A 1 247 ? -50.342 -8.705 -48.183 1.00 87.59 ? 274 ILE A O 1 ATOM 1748 C CB . ILE A 1 247 ? -51.451 -6.031 -48.241 1.00 83.78 ? 274 ILE A CB 1 ATOM 1749 C CG1 . ILE A 1 247 ? -51.693 -4.589 -48.707 1.00 83.02 ? 274 ILE A CG1 1 ATOM 1750 C CG2 . ILE A 1 247 ? -52.075 -6.269 -46.866 1.00 83.37 ? 274 ILE A CG2 1 ATOM 1751 C CD1 . ILE A 1 247 ? -53.145 -4.254 -48.981 1.00 83.62 ? 274 ILE A CD1 1 ATOM 1752 N N . TRP A 1 248 ? -48.783 -7.918 -46.759 1.00 87.32 ? 275 TRP A N 1 ATOM 1753 C CA . TRP A 1 248 ? -48.551 -9.201 -46.092 1.00 89.25 ? 275 TRP A CA 1 ATOM 1754 C C . TRP A 1 248 ? -49.637 -9.483 -45.060 1.00 91.04 ? 275 TRP A C 1 ATOM 1755 O O . TRP A 1 248 ? -50.209 -8.567 -44.467 1.00 90.06 ? 275 TRP A O 1 ATOM 1756 C CB . TRP A 1 248 ? -47.189 -9.222 -45.393 1.00 89.05 ? 275 TRP A CB 1 ATOM 1757 C CG . TRP A 1 248 ? -46.032 -9.125 -46.324 1.00 90.10 ? 275 TRP A CG 1 ATOM 1758 C CD1 . TRP A 1 248 ? -45.285 -8.019 -46.589 1.00 89.80 ? 275 TRP A CD1 1 ATOM 1759 C CD2 . TRP A 1 248 ? -45.481 -10.181 -47.117 1.00 92.58 ? 275 TRP A CD2 1 ATOM 1760 N NE1 . TRP A 1 248 ? -44.302 -8.316 -47.502 1.00 91.37 ? 275 TRP A NE1 1 ATOM 1761 C CE2 . TRP A 1 248 ? -44.400 -9.638 -47.842 1.00 92.63 ? 275 TRP A CE2 1 ATOM 1762 C CE3 . TRP A 1 248 ? -45.797 -11.537 -47.285 1.00 94.70 ? 275 TRP A CE3 1 ATOM 1763 C CZ2 . TRP A 1 248 ? -43.631 -10.400 -48.725 1.00 94.67 ? 275 TRP A CZ2 1 ATOM 1764 C CZ3 . TRP A 1 248 ? -45.032 -12.297 -48.165 1.00 95.64 ? 275 TRP A CZ3 1 ATOM 1765 C CH2 . TRP A 1 248 ? -43.964 -11.723 -48.875 1.00 95.82 ? 275 TRP A CH2 1 ATOM 1766 N N . LYS A 1 249 ? -49.918 -10.764 -44.863 1.00 95.43 ? 276 LYS A N 1 ATOM 1767 C CA . LYS A 1 249 ? -50.749 -11.221 -43.763 1.00 98.54 ? 276 LYS A CA 1 ATOM 1768 C C . LYS A 1 249 ? -49.949 -12.255 -42.975 1.00 101.60 ? 276 LYS A C 1 ATOM 1769 O O . LYS A 1 249 ? -49.225 -13.057 -43.556 1.00 103.99 ? 276 LYS A O 1 ATOM 1770 C CB . LYS A 1 249 ? -52.060 -11.813 -44.282 1.00 101.05 ? 276 LYS A CB 1 ATOM 1771 C CG . LYS A 1 249 ? -52.901 -12.463 -43.195 1.00 104.39 ? 276 LYS A CG 1 ATOM 1772 C CD . LYS A 1 249 ? -54.374 -12.563 -43.554 1.00 107.60 ? 276 LYS A CD 1 ATOM 1773 C CE . LYS A 1 249 ? -55.160 -13.151 -42.387 1.00 109.46 ? 276 LYS A CE 1 ATOM 1774 N NZ . LYS A 1 249 ? -56.617 -13.275 -42.671 1.00 111.64 ? 276 LYS A NZ 1 ATOM 1775 N N . VAL A 1 250 ? -50.065 -12.199 -41.651 1.00 104.99 ? 277 VAL A N 1 ATOM 1776 C CA . VAL A 1 250 ? -49.493 -13.195 -40.754 1.00 108.91 ? 277 VAL A CA 1 ATOM 1777 C C . VAL A 1 250 ? -50.640 -14.127 -40.388 1.00 114.26 ? 277 VAL A C 1 ATOM 1778 O O . VAL A 1 250 ? -51.643 -13.670 -39.832 1.00 115.66 ? 277 VAL A O 1 ATOM 1779 C CB . VAL A 1 250 ? -48.931 -12.537 -39.473 1.00 108.35 ? 277 VAL A CB 1 ATOM 1780 C CG1 . VAL A 1 250 ? -48.237 -13.571 -38.591 1.00 110.42 ? 277 VAL A CG1 1 ATOM 1781 C CG2 . VAL A 1 250 ? -47.984 -11.396 -39.828 1.00 106.80 ? 277 VAL A CG2 1 ATOM 1782 N N . ASN A 1 251 ? -50.511 -15.419 -40.701 1.00 121.06 ? 278 ASN A N 1 ATOM 1783 C CA . ASN A 1 251 ? -51.594 -16.377 -40.431 1.00 126.34 ? 278 ASN A CA 1 ATOM 1784 C C . ASN A 1 251 ? -51.698 -16.655 -38.912 1.00 127.49 ? 278 ASN A C 1 ATOM 1785 O O . ASN A 1 251 ? -50.712 -16.464 -38.188 1.00 124.03 ? 278 ASN A O 1 ATOM 1786 C CB . ASN A 1 251 ? -51.465 -17.657 -41.301 1.00 130.14 ? 278 ASN A CB 1 ATOM 1787 C CG . ASN A 1 251 ? -50.434 -18.656 -40.781 1.00 132.66 ? 278 ASN A CG 1 ATOM 1788 O OD1 . ASN A 1 251 ? -50.697 -19.410 -39.839 1.00 133.99 ? 278 ASN A OD1 1 ATOM 1789 N ND2 . ASN A 1 251 ? -49.280 -18.713 -41.438 1.00 134.10 ? 278 ASN A ND2 1 ATOM 1790 N N . PRO A 1 252 ? -52.890 -17.089 -38.427 1.00 131.49 ? 279 PRO A N 1 ATOM 1791 C CA . PRO A 1 252 ? -53.156 -17.228 -36.976 1.00 133.36 ? 279 PRO A CA 1 ATOM 1792 C C . PRO A 1 252 ? -52.115 -17.986 -36.123 1.00 135.39 ? 279 PRO A C 1 ATOM 1793 O O . PRO A 1 252 ? -51.986 -17.706 -34.926 1.00 133.25 ? 279 PRO A O 1 ATOM 1794 C CB . PRO A 1 252 ? -54.500 -17.969 -36.941 1.00 134.58 ? 279 PRO A CB 1 ATOM 1795 C CG . PRO A 1 252 ? -55.177 -17.574 -38.204 1.00 133.99 ? 279 PRO A CG 1 ATOM 1796 C CD . PRO A 1 252 ? -54.084 -17.449 -39.225 1.00 132.98 ? 279 PRO A CD 1 ATOM 1797 N N . GLU A 1 253 ? -51.384 -18.918 -36.735 1.00 138.89 ? 280 GLU A N 1 ATOM 1798 C CA . GLU A 1 253 ? -50.482 -19.821 -36.008 1.00 142.34 ? 280 GLU A CA 1 ATOM 1799 C C . GLU A 1 253 ? -49.171 -19.203 -35.473 1.00 141.20 ? 280 GLU A C 1 ATOM 1800 O O . GLU A 1 253 ? -48.469 -19.857 -34.699 1.00 142.27 ? 280 GLU A O 1 ATOM 1801 C CB . GLU A 1 253 ? -50.186 -21.061 -36.875 1.00 145.53 ? 280 GLU A CB 1 ATOM 1802 C CG . GLU A 1 253 ? -51.422 -21.930 -37.130 1.00 147.93 ? 280 GLU A CG 1 ATOM 1803 C CD . GLU A 1 253 ? -51.321 -22.823 -38.361 1.00 149.75 ? 280 GLU A CD 1 ATOM 1804 O OE1 . GLU A 1 253 ? -50.196 -23.136 -38.806 1.00 150.76 ? 280 GLU A OE1 1 ATOM 1805 O OE2 . GLU A 1 253 ? -52.383 -23.226 -38.883 1.00 149.85 ? 280 GLU A OE2 1 ATOM 1806 N N . ILE A 1 254 ? -48.851 -17.964 -35.861 1.00 140.11 ? 281 ILE A N 1 ATOM 1807 C CA . ILE A 1 254 ? -47.656 -17.260 -35.359 1.00 140.50 ? 281 ILE A CA 1 ATOM 1808 C C . ILE A 1 254 ? -48.022 -16.359 -34.173 1.00 139.50 ? 281 ILE A C 1 ATOM 1809 O O . ILE A 1 254 ? -48.647 -15.317 -34.369 1.00 138.01 ? 281 ILE A O 1 ATOM 1810 C CB . ILE A 1 254 ? -46.991 -16.389 -36.461 1.00 139.38 ? 281 ILE A CB 1 ATOM 1811 C CG1 . ILE A 1 254 ? -46.625 -17.242 -37.690 1.00 141.16 ? 281 ILE A CG1 1 ATOM 1812 C CG2 . ILE A 1 254 ? -45.762 -15.662 -35.908 1.00 138.21 ? 281 ILE A CG2 1 ATOM 1813 C CD1 . ILE A 1 254 ? -47.686 -17.287 -38.771 1.00 141.13 ? 281 ILE A CD1 1 ATOM 1814 N N . ASP A 1 255 ? -47.622 -16.745 -32.957 1.00 140.35 ? 282 ASP A N 1 ATOM 1815 C CA . ASP A 1 255 ? -47.881 -15.923 -31.758 1.00 138.48 ? 282 ASP A CA 1 ATOM 1816 C C . ASP A 1 255 ? -46.908 -14.739 -31.690 1.00 137.52 ? 282 ASP A C 1 ATOM 1817 O O . ASP A 1 255 ? -45.832 -14.776 -32.297 1.00 137.21 ? 282 ASP A O 1 ATOM 1818 C CB . ASP A 1 255 ? -47.851 -16.769 -30.466 1.00 138.03 ? 282 ASP A CB 1 ATOM 1819 C CG . ASP A 1 255 ? -46.450 -16.950 -29.893 1.00 137.31 ? 282 ASP A CG 1 ATOM 1820 O OD1 . ASP A 1 255 ? -45.812 -17.977 -30.196 1.00 138.29 ? 282 ASP A OD1 1 ATOM 1821 O OD2 . ASP A 1 255 ? -45.995 -16.072 -29.129 1.00 134.71 ? 282 ASP A OD2 1 ATOM 1822 N N . THR A 1 256 ? -47.307 -13.701 -30.953 1.00 136.30 ? 283 THR A N 1 ATOM 1823 C CA . THR A 1 256 ? -46.516 -12.463 -30.803 1.00 134.67 ? 283 THR A CA 1 ATOM 1824 C C . THR A 1 256 ? -46.075 -12.195 -29.353 1.00 138.13 ? 283 THR A C 1 ATOM 1825 O O . THR A 1 256 ? -44.945 -11.760 -29.123 1.00 138.98 ? 283 THR A O 1 ATOM 1826 C CB . THR A 1 256 ? -47.286 -11.238 -31.334 1.00 129.67 ? 283 THR A CB 1 ATOM 1827 O OG1 . THR A 1 256 ? -48.268 -10.820 -30.378 1.00 127.18 ? 283 THR A OG1 1 ATOM 1828 C CG2 . THR A 1 256 ? -47.962 -11.561 -32.669 1.00 128.20 ? 283 THR A CG2 1 ATOM 1829 N N . THR A 1 257 ? -46.978 -12.409 -28.394 1.00 140.62 ? 284 THR A N 1 ATOM 1830 C CA . THR A 1 257 ? -46.635 -12.417 -26.962 1.00 142.86 ? 284 THR A CA 1 ATOM 1831 C C . THR A 1 257 ? -47.655 -13.254 -26.183 1.00 142.84 ? 284 THR A C 1 ATOM 1832 O O . THR A 1 257 ? -48.047 -14.339 -26.616 1.00 141.38 ? 284 THR A O 1 ATOM 1833 C CB . THR A 1 257 ? -46.566 -10.988 -26.368 1.00 143.12 ? 284 THR A CB 1 ATOM 1834 O OG1 . THR A 1 257 ? -45.560 -10.225 -27.049 1.00 144.24 ? 284 THR A OG1 1 ATOM 1835 C CG2 . THR A 1 257 ? -46.234 -11.014 -24.861 1.00 143.51 ? 284 THR A CG2 1 ATOM 1836 N N . GLU A 1 260 ? -51.259 -12.157 -22.742 1.00 138.30 ? 287 GLU A N 1 ATOM 1837 C CA . GLU A 1 260 ? -52.174 -11.329 -21.958 1.00 137.72 ? 287 GLU A CA 1 ATOM 1838 C C . GLU A 1 260 ? -51.507 -10.803 -20.674 1.00 135.81 ? 287 GLU A C 1 ATOM 1839 O O . GLU A 1 260 ? -52.103 -10.827 -19.591 1.00 136.31 ? 287 GLU A O 1 ATOM 1840 C CB . GLU A 1 260 ? -53.453 -12.121 -21.634 1.00 139.79 ? 287 GLU A CB 1 ATOM 1841 C CG . GLU A 1 260 ? -54.294 -12.501 -22.850 1.00 140.43 ? 287 GLU A CG 1 ATOM 1842 C CD . GLU A 1 260 ? -54.931 -11.310 -23.557 1.00 138.62 ? 287 GLU A CD 1 ATOM 1843 O OE1 . GLU A 1 260 ? -55.058 -10.223 -22.951 1.00 137.34 ? 287 GLU A OE1 1 ATOM 1844 O OE2 . GLU A 1 260 ? -55.317 -11.468 -24.735 1.00 137.92 ? 287 GLU A OE2 1 ATOM 1845 N N . TRP A 1 261 ? -50.266 -10.329 -20.813 1.00 132.63 ? 288 TRP A N 1 ATOM 1846 C CA . TRP A 1 261 ? -49.504 -9.716 -19.717 1.00 129.74 ? 288 TRP A CA 1 ATOM 1847 C C . TRP A 1 261 ? -49.277 -8.232 -20.033 1.00 119.31 ? 288 TRP A C 1 ATOM 1848 O O . TRP A 1 261 ? -49.119 -7.857 -21.201 1.00 118.46 ? 288 TRP A O 1 ATOM 1849 C CB . TRP A 1 261 ? -48.147 -10.413 -19.545 1.00 135.49 ? 288 TRP A CB 1 ATOM 1850 C CG . TRP A 1 261 ? -48.174 -11.736 -18.812 1.00 141.97 ? 288 TRP A CG 1 ATOM 1851 C CD1 . TRP A 1 261 ? -49.256 -12.546 -18.595 1.00 143.76 ? 288 TRP A CD1 1 ATOM 1852 C CD2 . TRP A 1 261 ? -47.048 -12.412 -18.230 1.00 147.81 ? 288 TRP A CD2 1 ATOM 1853 N NE1 . TRP A 1 261 ? -48.877 -13.669 -17.900 1.00 148.95 ? 288 TRP A NE1 1 ATOM 1854 C CE2 . TRP A 1 261 ? -47.528 -13.616 -17.665 1.00 151.59 ? 288 TRP A CE2 1 ATOM 1855 C CE3 . TRP A 1 261 ? -45.679 -12.112 -18.125 1.00 149.63 ? 288 TRP A CE3 1 ATOM 1856 C CZ2 . TRP A 1 261 ? -46.685 -14.527 -17.000 1.00 154.90 ? 288 TRP A CZ2 1 ATOM 1857 C CZ3 . TRP A 1 261 ? -44.839 -13.020 -17.463 1.00 152.77 ? 288 TRP A CZ3 1 ATOM 1858 C CH2 . TRP A 1 261 ? -45.349 -14.212 -16.911 1.00 154.99 ? 288 TRP A CH2 1 ATOM 1859 N N . ALA A 1 262 ? -49.248 -7.402 -18.991 1.00 109.08 ? 289 ALA A N 1 ATOM 1860 C CA . ALA A 1 262 ? -48.978 -5.970 -19.142 1.00 99.72 ? 289 ALA A CA 1 ATOM 1861 C C . ALA A 1 262 ? -47.497 -5.708 -19.422 1.00 94.50 ? 289 ALA A C 1 ATOM 1862 O O . ALA A 1 262 ? -46.648 -6.551 -19.134 1.00 94.16 ? 289 ALA A O 1 ATOM 1863 C CB . ALA A 1 262 ? -49.417 -5.221 -17.901 1.00 99.40 ? 289 ALA A CB 1 ATOM 1864 N N . PHE A 1 263 ? -47.203 -4.530 -19.975 1.00 88.01 ? 290 PHE A N 1 ATOM 1865 C CA . PHE A 1 263 ? -45.836 -4.168 -20.419 1.00 84.23 ? 290 PHE A CA 1 ATOM 1866 C C . PHE A 1 263 ? -44.761 -4.093 -19.315 1.00 85.50 ? 290 PHE A C 1 ATOM 1867 O O . PHE A 1 263 ? -43.597 -4.438 -19.546 1.00 87.11 ? 290 PHE A O 1 ATOM 1868 C CB . PHE A 1 263 ? -45.855 -2.858 -21.229 1.00 79.60 ? 290 PHE A CB 1 ATOM 1869 C CG . PHE A 1 263 ? -46.115 -1.609 -20.412 1.00 76.83 ? 290 PHE A CG 1 ATOM 1870 C CD1 . PHE A 1 263 ? -45.067 -0.953 -19.742 1.00 76.25 ? 290 PHE A CD1 1 ATOM 1871 C CD2 . PHE A 1 263 ? -47.388 -1.041 -20.363 1.00 73.94 ? 290 PHE A CD2 1 ATOM 1872 C CE1 . PHE A 1 263 ? -45.297 0.216 -19.022 1.00 74.21 ? 290 PHE A CE1 1 ATOM 1873 C CE2 . PHE A 1 263 ? -47.620 0.122 -19.640 1.00 72.52 ? 290 PHE A CE2 1 ATOM 1874 C CZ . PHE A 1 263 ? -46.576 0.750 -18.967 1.00 72.69 ? 290 PHE A CZ 1 ATOM 1875 N N . TRP A 1 264 ? -45.165 -3.639 -18.129 1.00 84.29 ? 291 TRP A N 1 ATOM 1876 C CA . TRP A 1 264 ? -44.262 -3.450 -16.977 1.00 84.96 ? 291 TRP A CA 1 ATOM 1877 C C . TRP A 1 264 ? -43.876 -4.745 -16.229 1.00 91.03 ? 291 TRP A C 1 ATOM 1878 O O . TRP A 1 264 ? -43.067 -4.696 -15.293 1.00 91.80 ? 291 TRP A O 1 ATOM 1879 C CB . TRP A 1 264 ? -44.889 -2.465 -15.980 1.00 81.53 ? 291 TRP A CB 1 ATOM 1880 C CG . TRP A 1 264 ? -46.146 -2.983 -15.330 1.00 78.74 ? 291 TRP A CG 1 ATOM 1881 C CD1 . TRP A 1 264 ? -46.230 -3.822 -14.260 1.00 78.92 ? 291 TRP A CD1 1 ATOM 1882 C CD2 . TRP A 1 264 ? -47.492 -2.700 -15.724 1.00 75.08 ? 291 TRP A CD2 1 ATOM 1883 N NE1 . TRP A 1 264 ? -47.542 -4.076 -13.960 1.00 77.51 ? 291 TRP A NE1 1 ATOM 1884 C CE2 . TRP A 1 264 ? -48.339 -3.401 -14.844 1.00 74.77 ? 291 TRP A CE2 1 ATOM 1885 C CE3 . TRP A 1 264 ? -48.063 -1.919 -16.736 1.00 72.65 ? 291 TRP A CE3 1 ATOM 1886 C CZ2 . TRP A 1 264 ? -49.731 -3.343 -14.939 1.00 73.62 ? 291 TRP A CZ2 1 ATOM 1887 C CZ3 . TRP A 1 264 ? -49.447 -1.859 -16.833 1.00 71.37 ? 291 TRP A CZ3 1 ATOM 1888 C CH2 . TRP A 1 264 ? -50.266 -2.573 -15.941 1.00 72.02 ? 291 TRP A CH2 1 ATOM 1889 N N . GLU A 1 265 ? -44.484 -5.872 -16.620 1.00 95.45 ? 292 GLU A N 1 ATOM 1890 C CA . GLU A 1 265 ? -44.199 -7.214 -16.060 1.00 100.81 ? 292 GLU A CA 1 ATOM 1891 C C . GLU A 1 265 ? -43.576 -8.186 -17.092 1.00 105.03 ? 292 GLU A C 1 ATOM 1892 O O . GLU A 1 265 ? -42.930 -9.165 -16.702 1.00 106.49 ? 292 GLU A O 1 ATOM 1893 C CB . GLU A 1 265 ? -45.457 -7.816 -15.396 1.00 100.70 ? 292 GLU A CB 1 ATOM 1894 C CG . GLU A 1 265 ? -46.762 -7.669 -16.179 1.00 98.35 ? 292 GLU A CG 1 ATOM 1895 C CD . GLU A 1 265 ? -47.999 -8.111 -15.420 1.00 98.15 ? 292 GLU A CD 1 ATOM 1896 O OE1 . GLU A 1 265 ? -49.039 -8.309 -16.077 1.00 98.27 ? 292 GLU A OE1 1 ATOM 1897 O OE2 . GLU A 1 265 ? -47.954 -8.244 -14.181 1.00 98.85 ? 292 GLU A OE2 1 ATOM 1898 N N . THR A 1 266 ? -43.790 -7.922 -18.388 1.00 108.48 ? 293 THR A N 1 ATOM 1899 C CA . THR A 1 266 ? -43.008 -8.531 -19.476 1.00 112.23 ? 293 THR A CA 1 ATOM 1900 C C . THR A 1 266 ? -41.721 -7.733 -19.715 1.00 112.09 ? 293 THR A C 1 ATOM 1901 O O . THR A 1 266 ? -40.831 -7.685 -18.862 1.00 113.57 ? 293 THR A O 1 ATOM 1902 C CB . THR A 1 266 ? -43.801 -8.581 -20.807 1.00 112.00 ? 293 THR A CB 1 ATOM 1903 O OG1 . THR A 1 266 ? -44.277 -7.271 -21.143 1.00 110.51 ? 293 THR A OG1 1 ATOM 1904 C CG2 . THR A 1 266 ? -44.987 -9.542 -20.714 1.00 113.20 ? 293 THR A CG2 1 ATOM 1905 N N . LEU A 1 279 ? -39.583 -18.886 -39.854 1.00 132.57 ? 305 LEU A N 1 ATOM 1906 C CA . LEU A 1 279 ? -40.476 -17.867 -40.404 1.00 131.91 ? 305 LEU A CA 1 ATOM 1907 C C . LEU A 1 279 ? -40.210 -17.651 -41.902 1.00 132.20 ? 305 LEU A C 1 ATOM 1908 O O . LEU A 1 279 ? -39.146 -17.156 -42.277 1.00 132.12 ? 305 LEU A O 1 ATOM 1909 C CB . LEU A 1 279 ? -40.310 -16.550 -39.632 1.00 129.79 ? 305 LEU A CB 1 ATOM 1910 C CG . LEU A 1 279 ? -41.369 -15.457 -39.834 1.00 127.81 ? 305 LEU A CG 1 ATOM 1911 C CD1 . LEU A 1 279 ? -42.727 -15.901 -39.305 1.00 127.58 ? 305 LEU A CD1 1 ATOM 1912 C CD2 . LEU A 1 279 ? -40.939 -14.159 -39.162 1.00 125.64 ? 305 LEU A CD2 1 ATOM 1913 N N . SER A 1 280 ? -41.179 -18.026 -42.742 1.00 132.75 ? 306 SER A N 1 ATOM 1914 C CA . SER A 1 280 ? -41.060 -17.947 -44.208 1.00 133.94 ? 306 SER A CA 1 ATOM 1915 C C . SER A 1 280 ? -42.122 -17.035 -44.831 1.00 132.64 ? 306 SER A C 1 ATOM 1916 O O . SER A 1 280 ? -43.183 -16.812 -44.244 1.00 131.32 ? 306 SER A O 1 ATOM 1917 C CB . SER A 1 280 ? -41.179 -19.344 -44.814 1.00 136.59 ? 306 SER A CB 1 ATOM 1918 O OG . SER A 1 280 ? -42.420 -19.937 -44.473 1.00 138.20 ? 306 SER A OG 1 ATOM 1919 N N . PHE A 1 281 ? -41.825 -16.539 -46.034 1.00 132.90 ? 307 PHE A N 1 ATOM 1920 C CA . PHE A 1 281 ? -42.680 -15.589 -46.757 1.00 132.03 ? 307 PHE A CA 1 ATOM 1921 C C . PHE A 1 281 ? -42.986 -16.104 -48.162 1.00 131.75 ? 307 PHE A C 1 ATOM 1922 O O . PHE A 1 281 ? -42.064 -16.481 -48.888 1.00 132.88 ? 307 PHE A O 1 ATOM 1923 C CB . PHE A 1 281 ? -41.969 -14.237 -46.887 1.00 132.25 ? 307 PHE A CB 1 ATOM 1924 C CG . PHE A 1 281 ? -41.663 -13.571 -45.574 1.00 131.80 ? 307 PHE A CG 1 ATOM 1925 C CD1 . PHE A 1 281 ? -42.544 -12.640 -45.030 1.00 130.89 ? 307 PHE A CD1 1 ATOM 1926 C CD2 . PHE A 1 281 ? -40.485 -13.858 -44.889 1.00 132.97 ? 307 PHE A CD2 1 ATOM 1927 C CE1 . PHE A 1 281 ? -42.263 -12.017 -43.821 1.00 131.06 ? 307 PHE A CE1 1 ATOM 1928 C CE2 . PHE A 1 281 ? -40.198 -13.238 -43.681 1.00 133.41 ? 307 PHE A CE2 1 ATOM 1929 C CZ . PHE A 1 281 ? -41.088 -12.315 -43.146 1.00 132.01 ? 307 PHE A CZ 1 ATOM 1930 N N . THR A 1 282 ? -44.266 -16.108 -48.547 1.00 130.29 ? 308 THR A N 1 ATOM 1931 C CA . THR A 1 282 ? -44.687 -16.502 -49.904 1.00 131.51 ? 308 THR A CA 1 ATOM 1932 C C . THR A 1 282 ? -45.853 -15.649 -50.422 1.00 131.87 ? 308 THR A C 1 ATOM 1933 O O . THR A 1 282 ? -46.694 -15.192 -49.642 1.00 129.97 ? 308 THR A O 1 ATOM 1934 C CB . THR A 1 282 ? -45.093 -17.992 -49.971 1.00 132.22 ? 308 THR A CB 1 ATOM 1935 O OG1 . THR A 1 282 ? -46.079 -18.269 -48.971 1.00 130.73 ? 308 THR A OG1 1 ATOM 1936 C CG2 . THR A 1 282 ? -43.885 -18.906 -49.764 1.00 132.70 ? 308 THR A CG2 1 ATOM 1937 N N . VAL A 1 283 ? -45.903 -15.477 -51.747 1.00 135.15 ? 309 VAL A N 1 ATOM 1938 C CA . VAL A 1 283 ? -46.884 -14.599 -52.421 1.00 136.15 ? 309 VAL A CA 1 ATOM 1939 C C . VAL A 1 283 ? -48.068 -15.456 -52.895 1.00 140.56 ? 309 VAL A C 1 ATOM 1940 O O . VAL A 1 283 ? -47.912 -16.671 -53.116 1.00 145.22 ? 309 VAL A O 1 ATOM 1941 C CB . VAL A 1 283 ? -46.285 -13.836 -53.648 1.00 134.68 ? 309 VAL A CB 1 ATOM 1942 C CG1 . VAL A 1 283 ? -46.953 -12.471 -53.812 1.00 132.21 ? 309 VAL A CG1 1 ATOM 1943 C CG2 . VAL A 1 283 ? -44.771 -13.648 -53.533 1.00 134.08 ? 309 VAL A CG2 1 ATOM 1944 N N . VAL A 1 284 ? -49.238 -14.824 -53.052 1.00 141.14 ? 310 VAL A N 1 ATOM 1945 C CA . VAL A 1 284 ? -50.461 -15.519 -53.477 1.00 142.28 ? 310 VAL A CA 1 ATOM 1946 C C . VAL A 1 284 ? -50.690 -15.293 -54.971 1.00 142.96 ? 310 VAL A C 1 ATOM 1947 O O . VAL A 1 284 ? -50.934 -14.170 -55.407 1.00 142.12 ? 310 VAL A O 1 ATOM 1948 C CB . VAL A 1 284 ? -51.683 -15.046 -52.648 1.00 141.04 ? 310 VAL A CB 1 ATOM 1949 C CG1 . VAL A 1 284 ? -52.983 -15.657 -53.164 1.00 142.94 ? 310 VAL A CG1 1 ATOM 1950 C CG2 . VAL A 1 284 ? -51.490 -15.391 -51.174 1.00 139.21 ? 310 VAL A CG2 1 ATOM 1951 N N . UNK A 1 324 ? -52.554 -3.855 -56.374 1.00 121.29 ? 471 UNK A N 1 ATOM 1952 C CA . UNK A 1 324 ? -52.379 -4.523 -55.087 1.00 121.17 ? 471 UNK A CA 1 ATOM 1953 C C . UNK A 1 324 ? -51.759 -5.913 -55.254 1.00 120.42 ? 471 UNK A C 1 ATOM 1954 O O . UNK A 1 324 ? -51.640 -6.422 -56.371 1.00 122.74 ? 471 UNK A O 1 ATOM 1955 C CB . UNK A 1 324 ? -53.713 -4.622 -54.360 1.00 119.50 ? 471 UNK A CB 1 ATOM 1956 N N . UNK A 1 325 ? -51.365 -6.512 -54.131 1.00 117.59 ? 472 UNK A N 1 ATOM 1957 C CA . UNK A 1 325 ? -50.795 -7.863 -54.111 1.00 114.14 ? 472 UNK A CA 1 ATOM 1958 C C . UNK A 1 325 ? -50.814 -8.442 -52.691 1.00 114.20 ? 472 UNK A C 1 ATOM 1959 O O . UNK A 1 325 ? -49.976 -8.079 -51.863 1.00 113.91 ? 472 UNK A O 1 ATOM 1960 C CB . UNK A 1 325 ? -49.372 -7.846 -54.659 1.00 111.25 ? 472 UNK A CB 1 ATOM 1961 N N . UNK A 1 326 ? -51.773 -9.329 -52.416 1.00 112.73 ? 473 UNK A N 1 ATOM 1962 C CA . UNK A 1 326 ? -51.872 -10.005 -51.112 1.00 109.63 ? 473 UNK A CA 1 ATOM 1963 C C . UNK A 1 326 ? -50.791 -11.080 -50.972 1.00 108.23 ? 473 UNK A C 1 ATOM 1964 O O . UNK A 1 326 ? -50.248 -11.556 -51.972 1.00 108.23 ? 473 UNK A O 1 ATOM 1965 C CB . UNK A 1 326 ? -53.254 -10.617 -50.928 1.00 107.12 ? 473 UNK A CB 1 ATOM 1966 N N . UNK A 1 327 ? -50.482 -11.450 -49.731 1.00 106.05 ? 474 UNK A N 1 ATOM 1967 C CA . UNK A 1 327 ? -49.442 -12.449 -49.447 1.00 105.14 ? 474 UNK A CA 1 ATOM 1968 C C . UNK A 1 327 ? -49.540 -13.009 -48.025 1.00 105.33 ? 474 UNK A C 1 ATOM 1969 O O . UNK A 1 327 ? -50.216 -12.432 -47.170 1.00 106.79 ? 474 UNK A O 1 ATOM 1970 C CB . UNK A 1 327 ? -48.064 -11.850 -49.682 1.00 104.23 ? 474 UNK A CB 1 ATOM 1971 N N . UNK A 1 328 ? -48.853 -14.129 -47.786 1.00 105.21 ? 475 UNK A N 1 ATOM 1972 C CA . UNK A 1 328 ? -48.905 -14.847 -46.505 1.00 104.31 ? 475 UNK A CA 1 ATOM 1973 C C . UNK A 1 328 ? -47.503 -15.087 -45.935 1.00 105.43 ? 475 UNK A C 1 ATOM 1974 O O . UNK A 1 328 ? -46.589 -15.467 -46.669 1.00 105.78 ? 475 UNK A O 1 ATOM 1975 C CB . UNK A 1 328 ? -49.634 -16.169 -46.680 1.00 102.36 ? 475 UNK A CB 1 ATOM 1976 N N . UNK A 1 329 ? -47.350 -14.858 -44.628 1.00 106.88 ? 476 UNK A N 1 ATOM 1977 C CA . UNK A 1 329 ? -46.100 -15.110 -43.904 1.00 108.42 ? 476 UNK A CA 1 ATOM 1978 C C . UNK A 1 329 ? -46.313 -16.270 -42.926 1.00 111.79 ? 476 UNK A C 1 ATOM 1979 O O . UNK A 1 329 ? -46.925 -16.089 -41.869 1.00 113.61 ? 476 UNK A O 1 ATOM 1980 C CB . UNK A 1 329 ? -45.657 -13.857 -43.161 1.00 107.59 ? 476 UNK A CB 1 ATOM 1981 N N . UNK A 1 330 ? -45.805 -17.452 -43.288 1.00 113.03 ? 477 UNK A N 1 ATOM 1982 C CA . UNK A 1 330 ? -46.023 -18.690 -42.528 1.00 109.81 ? 477 UNK A CA 1 ATOM 1983 C C . UNK A 1 330 ? -44.708 -19.246 -41.996 1.00 108.98 ? 477 UNK A C 1 ATOM 1984 O O . UNK A 1 330 ? -44.175 -18.764 -40.997 1.00 107.09 ? 477 UNK A O 1 ATOM 1985 C CB . UNK A 1 330 ? -46.712 -19.724 -43.407 1.00 107.78 ? 477 UNK A CB 1 ATOM 1986 N N . GLU B 2 1 ? -63.701 9.311 2.620 1.00 100.47 ? 502 GLU B N 1 ATOM 1987 C CA . GLU B 2 1 ? -63.719 7.929 2.049 1.00 99.59 ? 502 GLU B CA 1 ATOM 1988 C C . GLU B 2 1 ? -62.318 7.292 2.102 1.00 97.61 ? 502 GLU B C 1 ATOM 1989 O O . GLU B 2 1 ? -61.358 7.912 2.560 1.00 97.91 ? 502 GLU B O 1 ATOM 1990 C CB . GLU B 2 1 ? -64.226 7.949 0.597 1.00 100.11 ? 502 GLU B CB 1 ATOM 1991 C CG . GLU B 2 1 ? -65.471 8.788 0.318 1.00 100.43 ? 502 GLU B CG 1 ATOM 1992 C CD . GLU B 2 1 ? -65.744 8.924 -1.174 1.00 101.61 ? 502 GLU B CD 1 ATOM 1993 O OE1 . GLU B 2 1 ? -65.267 9.905 -1.787 1.00 102.07 ? 502 GLU B OE1 1 ATOM 1994 O OE2 . GLU B 2 1 ? -66.415 8.040 -1.745 1.00 102.14 ? 502 GLU B OE2 1 ATOM 1995 N N . ALA B 2 2 ? -62.227 6.043 1.647 1.00 96.32 ? 503 ALA B N 1 ATOM 1996 C CA . ALA B 2 2 ? -60.949 5.350 1.423 1.00 93.50 ? 503 ALA B CA 1 ATOM 1997 C C . ALA B 2 2 ? -60.815 5.000 -0.064 1.00 89.80 ? 503 ALA B C 1 ATOM 1998 O O . ALA B 2 2 ? -61.804 5.031 -0.806 1.00 89.20 ? 503 ALA B O 1 ATOM 1999 C CB . ALA B 2 2 ? -60.874 4.098 2.280 1.00 94.32 ? 503 ALA B CB 1 ATOM 2000 N N . ILE B 2 3 ? -59.595 4.673 -0.495 1.00 85.71 ? 504 ILE B N 1 ATOM 2001 C CA . ILE B 2 3 ? -59.319 4.392 -1.915 1.00 81.94 ? 504 ILE B CA 1 ATOM 2002 C C . ILE B 2 3 ? -59.262 2.887 -2.166 1.00 78.40 ? 504 ILE B C 1 ATOM 2003 O O . ILE B 2 3 ? -58.309 2.210 -1.765 1.00 76.58 ? 504 ILE B O 1 ATOM 2004 C CB . ILE B 2 3 ? -57.982 4.992 -2.400 1.00 81.88 ? 504 ILE B CB 1 ATOM 2005 C CG1 . ILE B 2 3 ? -57.808 6.444 -1.941 1.00 81.65 ? 504 ILE B CG1 1 ATOM 2006 C CG2 . ILE B 2 3 ? -57.874 4.875 -3.919 1.00 80.64 ? 504 ILE B CG2 1 ATOM 2007 C CD1 . ILE B 2 3 ? -58.553 7.452 -2.765 1.00 80.67 ? 504 ILE B CD1 1 ATOM 2008 N N . VAL B 2 4 ? -60.277 2.380 -2.852 1.00 74.90 ? 505 VAL B N 1 ATOM 2009 C CA . VAL B 2 4 ? -60.362 0.969 -3.197 1.00 74.24 ? 505 VAL B CA 1 ATOM 2010 C C . VAL B 2 4 ? -59.985 0.787 -4.672 1.00 71.23 ? 505 VAL B C 1 ATOM 2011 O O . VAL B 2 4 ? -60.824 1.022 -5.554 1.00 70.53 ? 505 VAL B O 1 ATOM 2012 C CB . VAL B 2 4 ? -61.800 0.450 -2.956 1.00 75.38 ? 505 VAL B CB 1 ATOM 2013 C CG1 . VAL B 2 4 ? -61.906 -1.034 -3.300 1.00 76.23 ? 505 VAL B CG1 1 ATOM 2014 C CG2 . VAL B 2 4 ? -62.235 0.735 -1.524 1.00 75.95 ? 505 VAL B CG2 1 ATOM 2015 N N . ASN B 2 5 ? -58.741 0.379 -4.953 1.00 67.90 ? 506 ASN B N 1 ATOM 2016 C CA . ASN B 2 5 ? -58.341 0.112 -6.342 1.00 65.32 ? 506 ASN B CA 1 ATOM 2017 C C . ASN B 2 5 ? -59.176 -1.028 -6.908 1.00 64.54 ? 506 ASN B C 1 ATOM 2018 O O . ASN B 2 5 ? -59.128 -2.138 -6.401 1.00 66.00 ? 506 ASN B O 1 ATOM 2019 C CB . ASN B 2 5 ? -56.854 -0.204 -6.494 1.00 64.48 ? 506 ASN B CB 1 ATOM 2020 C CG . ASN B 2 5 ? -56.406 -0.175 -7.954 1.00 64.20 ? 506 ASN B CG 1 ATOM 2021 O OD1 . ASN B 2 5 ? -56.884 -0.954 -8.777 1.00 64.15 ? 506 ASN B OD1 1 ATOM 2022 N ND2 . ASN B 2 5 ? -55.494 0.733 -8.284 1.00 63.54 ? 506 ASN B ND2 1 ATOM 2023 N N . ALA B 2 6 ? -59.936 -0.724 -7.956 1.00 63.55 ? 507 ALA B N 1 ATOM 2024 C CA . ALA B 2 6 ? -60.862 -1.655 -8.589 1.00 63.00 ? 507 ALA B CA 1 ATOM 2025 C C . ALA B 2 6 ? -60.607 -1.719 -10.099 1.00 61.54 ? 507 ALA B C 1 ATOM 2026 O O . ALA B 2 6 ? -61.541 -1.904 -10.884 1.00 62.37 ? 507 ALA B O 1 ATOM 2027 C CB . ALA B 2 6 ? -62.291 -1.209 -8.314 1.00 63.19 ? 507 ALA B CB 1 ATOM 2028 N N . GLN B 2 7 ? -59.347 -1.560 -10.504 1.00 59.35 ? 508 GLN B N 1 ATOM 2029 C CA . GLN B 2 7 ? -58.976 -1.622 -11.914 1.00 57.98 ? 508 GLN B CA 1 ATOM 2030 C C . GLN B 2 7 ? -58.534 -3.047 -12.264 1.00 57.80 ? 508 GLN B C 1 ATOM 2031 O O . GLN B 2 7 ? -58.109 -3.799 -11.387 1.00 58.04 ? 508 GLN B O 1 ATOM 2032 C CB . GLN B 2 7 ? -57.855 -0.622 -12.222 1.00 56.59 ? 508 GLN B CB 1 ATOM 2033 C CG . GLN B 2 7 ? -58.162 0.828 -11.854 1.00 55.68 ? 508 GLN B CG 1 ATOM 2034 C CD . GLN B 2 7 ? -59.458 1.354 -12.454 1.00 55.64 ? 508 GLN B CD 1 ATOM 2035 O OE1 . GLN B 2 7 ? -60.312 1.883 -11.744 1.00 55.51 ? 508 GLN B OE1 1 ATOM 2036 N NE2 . GLN B 2 7 ? -59.613 1.209 -13.762 1.00 55.95 ? 508 GLN B NE2 1 ATOM 2037 N N . PRO B 2 8 ? -58.628 -3.429 -13.547 1.00 57.69 ? 509 PRO B N 1 ATOM 2038 C CA . PRO B 2 8 ? -58.136 -4.750 -13.956 1.00 57.68 ? 509 PRO B CA 1 ATOM 2039 C C . PRO B 2 8 ? -56.701 -5.012 -13.509 1.00 58.14 ? 509 PRO B C 1 ATOM 2040 O O . PRO B 2 8 ? -56.400 -6.105 -13.036 1.00 58.77 ? 509 PRO B O 1 ATOM 2041 C CB . PRO B 2 8 ? -58.216 -4.695 -15.480 1.00 57.39 ? 509 PRO B CB 1 ATOM 2042 C CG . PRO B 2 8 ? -59.292 -3.705 -15.769 1.00 57.38 ? 509 PRO B CG 1 ATOM 2043 C CD . PRO B 2 8 ? -59.220 -2.683 -14.676 1.00 57.31 ? 509 PRO B CD 1 ATOM 2044 N N . LYS B 2 9 ? -55.840 -4.003 -13.650 1.00 58.61 ? 510 LYS B N 1 ATOM 2045 C CA . LYS B 2 9 ? -54.439 -4.087 -13.245 1.00 59.06 ? 510 LYS B CA 1 ATOM 2046 C C . LYS B 2 9 ? -53.941 -2.818 -12.564 1.00 57.55 ? 510 LYS B C 1 ATOM 2047 O O . LYS B 2 9 ? -54.610 -1.781 -12.563 1.00 56.35 ? 510 LYS B O 1 ATOM 2048 C CB . LYS B 2 9 ? -53.568 -4.377 -14.464 1.00 60.86 ? 510 LYS B CB 1 ATOM 2049 C CG . LYS B 2 9 ? -53.935 -5.677 -15.165 1.00 63.29 ? 510 LYS B CG 1 ATOM 2050 C CD . LYS B 2 9 ? -52.731 -6.346 -15.806 1.00 65.67 ? 510 LYS B CD 1 ATOM 2051 C CE . LYS B 2 9 ? -52.897 -7.856 -15.889 1.00 68.69 ? 510 LYS B CE 1 ATOM 2052 N NZ . LYS B 2 9 ? -51.680 -8.534 -15.358 1.00 71.41 ? 510 LYS B NZ 1 ATOM 2053 N N . CYS B 2 10 ? -52.760 -2.931 -11.964 1.00 57.51 ? 511 CYS B N 1 ATOM 2054 C CA . CYS B 2 10 ? -52.054 -1.795 -11.380 1.00 57.20 ? 511 CYS B CA 1 ATOM 2055 C C . CYS B 2 10 ? -50.568 -1.909 -11.673 1.00 56.41 ? 511 CYS B C 1 ATOM 2056 O O . CYS B 2 10 ? -49.913 -2.845 -11.222 1.00 57.53 ? 511 CYS B O 1 ATOM 2057 C CB . CYS B 2 10 ? -52.251 -1.714 -9.858 1.00 57.58 ? 511 CYS B CB 1 ATOM 2058 S SG . CYS B 2 10 ? -51.430 -0.258 -9.152 1.00 58.48 ? 511 CYS B SG 1 ATOM 2059 N N . ASN B 2 11 ? -50.039 -0.953 -12.423 1.00 55.16 ? 512 ASN B N 1 ATOM 2060 C CA . ASN B 2 11 ? -48.600 -0.772 -12.501 1.00 55.10 ? 512 ASN B CA 1 ATOM 2061 C C . ASN B 2 11 ? -48.159 -0.169 -11.165 1.00 55.12 ? 512 ASN B C 1 ATOM 2062 O O . ASN B 2 11 ? -48.440 1.001 -10.893 1.00 53.93 ? 512 ASN B O 1 ATOM 2063 C CB . ASN B 2 11 ? -48.241 0.143 -13.669 1.00 54.33 ? 512 ASN B CB 1 ATOM 2064 C CG . ASN B 2 11 ? -46.748 0.263 -13.894 1.00 54.61 ? 512 ASN B CG 1 ATOM 2065 O OD1 . ASN B 2 11 ? -45.926 -0.283 -13.152 1.00 54.70 ? 512 ASN B OD1 1 ATOM 2066 N ND2 . ASN B 2 11 ? -46.388 0.988 -14.940 1.00 55.11 ? 512 ASN B ND2 1 ATOM 2067 N N . PRO B 2 12 ? -47.474 -0.966 -10.320 1.00 55.98 ? 513 PRO B N 1 ATOM 2068 C CA . PRO B 2 12 ? -47.133 -0.474 -8.978 1.00 56.26 ? 513 PRO B CA 1 ATOM 2069 C C . PRO B 2 12 ? -46.082 0.651 -8.961 1.00 56.26 ? 513 PRO B C 1 ATOM 2070 O O . PRO B 2 12 ? -45.912 1.304 -7.929 1.00 55.62 ? 513 PRO B O 1 ATOM 2071 C CB . PRO B 2 12 ? -46.576 -1.723 -8.299 1.00 56.52 ? 513 PRO B CB 1 ATOM 2072 C CG . PRO B 2 12 ? -45.909 -2.449 -9.413 1.00 56.27 ? 513 PRO B CG 1 ATOM 2073 C CD . PRO B 2 12 ? -46.819 -2.262 -10.593 1.00 55.81 ? 513 PRO B CD 1 ATOM 2074 N N . ASN B 2 13 ? -45.383 0.858 -10.081 1.00 56.41 ? 514 ASN B N 1 ATOM 2075 C CA . ASN B 2 13 ? -44.364 1.897 -10.195 1.00 56.49 ? 514 ASN B CA 1 ATOM 2076 C C . ASN B 2 13 ? -44.846 3.074 -11.025 1.00 54.70 ? 514 ASN B C 1 ATOM 2077 O O . ASN B 2 13 ? -45.531 2.903 -12.035 1.00 53.93 ? 514 ASN B O 1 ATOM 2078 C CB . ASN B 2 13 ? -43.102 1.313 -10.806 1.00 57.66 ? 514 ASN B CB 1 ATOM 2079 C CG . ASN B 2 13 ? -42.531 0.206 -9.960 1.00 58.79 ? 514 ASN B CG 1 ATOM 2080 O OD1 . ASN B 2 13 ? -42.107 0.436 -8.829 1.00 59.04 ? 514 ASN B OD1 1 ATOM 2081 N ND2 . ASN B 2 13 ? -42.552 -1.006 -10.480 1.00 59.99 ? 514 ASN B ND2 1 ATOM 2082 N N . LEU B 2 14 ? -44.479 4.265 -10.567 1.00 54.07 ? 515 LEU B N 1 ATOM 2083 C CA . LEU B 2 14 ? -44.789 5.509 -11.241 1.00 53.41 ? 515 LEU B CA 1 ATOM 2084 C C . LEU B 2 14 ? -43.480 6.130 -11.696 1.00 52.83 ? 515 LEU B C 1 ATOM 2085 O O . LEU B 2 14 ? -42.774 6.775 -10.915 1.00 51.55 ? 515 LEU B O 1 ATOM 2086 C CB . LEU B 2 14 ? -45.544 6.461 -10.308 1.00 53.13 ? 515 LEU B CB 1 ATOM 2087 C CG . LEU B 2 14 ? -45.961 7.804 -10.910 1.00 52.55 ? 515 LEU B CG 1 ATOM 2088 C CD1 . LEU B 2 14 ? -46.772 7.601 -12.181 1.00 52.53 ? 515 LEU B CD1 1 ATOM 2089 C CD2 . LEU B 2 14 ? -46.749 8.626 -9.901 1.00 52.80 ? 515 LEU B CD2 1 ATOM 2090 N N . HIS B 2 15 ? -43.158 5.880 -12.961 1.00 53.12 ? 516 HIS B N 1 ATOM 2091 C CA . HIS B 2 15 ? -42.042 6.518 -13.640 1.00 53.42 ? 516 HIS B CA 1 ATOM 2092 C C . HIS B 2 15 ? -42.598 7.828 -14.168 1.00 52.99 ? 516 HIS B C 1 ATOM 2093 O O . HIS B 2 15 ? -43.352 7.838 -15.150 1.00 52.98 ? 516 HIS B O 1 ATOM 2094 C CB . HIS B 2 15 ? -41.538 5.616 -14.767 1.00 54.03 ? 516 HIS B CB 1 ATOM 2095 C CG . HIS B 2 15 ? -40.278 6.091 -15.414 1.00 54.54 ? 516 HIS B CG 1 ATOM 2096 N ND1 . HIS B 2 15 ? -39.882 5.659 -16.663 1.00 55.05 ? 516 HIS B ND1 1 ATOM 2097 C CD2 . HIS B 2 15 ? -39.325 6.954 -14.992 1.00 54.53 ? 516 HIS B CD2 1 ATOM 2098 C CE1 . HIS B 2 15 ? -38.733 6.230 -16.977 1.00 55.42 ? 516 HIS B CE1 1 ATOM 2099 N NE2 . HIS B 2 15 ? -38.376 7.024 -15.982 1.00 55.61 ? 516 HIS B NE2 1 ATOM 2100 N N . TYR B 2 16 ? -42.264 8.925 -13.490 1.00 51.98 ? 517 TYR B N 1 ATOM 2101 C CA . TYR B 2 16 ? -42.937 10.192 -13.736 1.00 51.92 ? 517 TYR B CA 1 ATOM 2102 C C . TYR B 2 16 ? -42.053 11.239 -14.408 1.00 51.18 ? 517 TYR B C 1 ATOM 2103 O O . TYR B 2 16 ? -40.825 11.150 -14.382 1.00 50.68 ? 517 TYR B O 1 ATOM 2104 C CB . TYR B 2 16 ? -43.546 10.745 -12.438 1.00 52.78 ? 517 TYR B CB 1 ATOM 2105 C CG . TYR B 2 16 ? -42.556 11.212 -11.395 1.00 53.22 ? 517 TYR B CG 1 ATOM 2106 C CD1 . TYR B 2 16 ? -42.088 12.529 -11.387 1.00 53.39 ? 517 TYR B CD1 1 ATOM 2107 C CD2 . TYR B 2 16 ? -42.097 10.346 -10.403 1.00 53.99 ? 517 TYR B CD2 1 ATOM 2108 C CE1 . TYR B 2 16 ? -41.183 12.959 -10.432 1.00 53.81 ? 517 TYR B CE1 1 ATOM 2109 C CE2 . TYR B 2 16 ? -41.190 10.772 -9.443 1.00 54.22 ? 517 TYR B CE2 1 ATOM 2110 C CZ . TYR B 2 16 ? -40.742 12.073 -9.464 1.00 53.86 ? 517 TYR B CZ 1 ATOM 2111 O OH . TYR B 2 16 ? -39.852 12.489 -8.525 1.00 54.89 ? 517 TYR B OH 1 ATOM 2112 N N . TRP B 2 17 ? -42.712 12.223 -15.013 1.00 49.99 ? 518 TRP B N 1 ATOM 2113 C CA . TRP B 2 17 ? -42.046 13.403 -15.544 1.00 50.66 ? 518 TRP B CA 1 ATOM 2114 C C . TRP B 2 17 ? -42.733 14.625 -14.979 1.00 51.60 ? 518 TRP B C 1 ATOM 2115 O O . TRP B 2 17 ? -43.927 14.591 -14.679 1.00 51.93 ? 518 TRP B O 1 ATOM 2116 C CB . TRP B 2 17 ? -42.056 13.441 -17.088 1.00 50.30 ? 518 TRP B CB 1 ATOM 2117 C CG . TRP B 2 17 ? -43.401 13.283 -17.713 1.00 49.15 ? 518 TRP B CG 1 ATOM 2118 C CD1 . TRP B 2 17 ? -43.960 12.128 -18.159 1.00 49.01 ? 518 TRP B CD1 1 ATOM 2119 C CD2 . TRP B 2 17 ? -44.361 14.310 -17.943 1.00 48.72 ? 518 TRP B CD2 1 ATOM 2120 N NE1 . TRP B 2 17 ? -45.211 12.372 -18.656 1.00 48.77 ? 518 TRP B NE1 1 ATOM 2121 C CE2 . TRP B 2 17 ? -45.486 13.705 -18.530 1.00 48.49 ? 518 TRP B CE2 1 ATOM 2122 C CE3 . TRP B 2 17 ? -44.383 15.685 -17.705 1.00 49.21 ? 518 TRP B CE3 1 ATOM 2123 C CZ2 . TRP B 2 17 ? -46.625 14.429 -18.888 1.00 49.01 ? 518 TRP B CZ2 1 ATOM 2124 C CZ3 . TRP B 2 17 ? -45.511 16.408 -18.060 1.00 49.17 ? 518 TRP B CZ3 1 ATOM 2125 C CH2 . TRP B 2 17 ? -46.619 15.780 -18.642 1.00 49.19 ? 518 TRP B CH2 1 ATOM 2126 N N . THR B 2 18 ? -41.973 15.699 -14.832 1.00 53.26 ? 519 THR B N 1 ATOM 2127 C CA . THR B 2 18 ? -42.526 16.977 -14.412 1.00 55.86 ? 519 THR B CA 1 ATOM 2128 C C . THR B 2 18 ? -41.531 18.089 -14.720 1.00 59.86 ? 519 THR B C 1 ATOM 2129 O O . THR B 2 18 ? -40.407 17.812 -15.129 1.00 61.20 ? 519 THR B O 1 ATOM 2130 C CB . THR B 2 18 ? -42.893 16.971 -12.911 1.00 55.39 ? 519 THR B CB 1 ATOM 2131 O OG1 . THR B 2 18 ? -43.638 18.149 -12.587 1.00 54.44 ? 519 THR B OG1 1 ATOM 2132 C CG2 . THR B 2 18 ? -41.647 16.875 -12.031 1.00 55.46 ? 519 THR B CG2 1 ATOM 2133 N N . THR B 2 19 ? -41.960 19.336 -14.552 1.00 64.57 ? 520 THR B N 1 ATOM 2134 C CA . THR B 2 19 ? -41.068 20.483 -14.659 1.00 69.53 ? 520 THR B CA 1 ATOM 2135 C C . THR B 2 19 ? -40.618 20.866 -13.266 1.00 76.37 ? 520 THR B C 1 ATOM 2136 O O . THR B 2 19 ? -41.287 20.559 -12.280 1.00 76.91 ? 520 THR B O 1 ATOM 2137 C CB . THR B 2 19 ? -41.761 21.708 -15.272 1.00 68.37 ? 520 THR B CB 1 ATOM 2138 O OG1 . THR B 2 19 ? -42.762 22.185 -14.371 1.00 68.57 ? 520 THR B OG1 1 ATOM 2139 C CG2 . THR B 2 19 ? -42.399 21.372 -16.605 1.00 67.75 ? 520 THR B CG2 1 ATOM 2140 N N . GLN B 2 20 ? -39.479 21.541 -13.196 1.00 85.87 ? 521 GLN B N 1 ATOM 2141 C CA . GLN B 2 20 ? -39.004 22.152 -11.963 1.00 93.30 ? 521 GLN B CA 1 ATOM 2142 C C . GLN B 2 20 ? -39.271 23.656 -12.094 1.00 98.37 ? 521 GLN B C 1 ATOM 2143 O O . GLN B 2 20 ? -38.961 24.259 -13.126 1.00 99.26 ? 521 GLN B O 1 ATOM 2144 C CB . GLN B 2 20 ? -37.514 21.859 -11.769 1.00 95.76 ? 521 GLN B CB 1 ATOM 2145 C CG . GLN B 2 20 ? -37.094 21.610 -10.328 1.00 97.25 ? 521 GLN B CG 1 ATOM 2146 C CD . GLN B 2 20 ? -35.674 21.075 -10.221 1.00 99.43 ? 521 GLN B CD 1 ATOM 2147 O OE1 . GLN B 2 20 ? -34.872 21.206 -11.152 1.00 100.52 ? 521 GLN B OE1 1 ATOM 2148 N NE2 . GLN B 2 20 ? -35.355 20.466 -9.081 1.00 100.48 ? 521 GLN B NE2 1 ATOM 2149 N N . ASP B 2 21 ? -39.852 24.248 -11.054 1.00 104.74 ? 522 ASP B N 1 ATOM 2150 C CA . ASP B 2 21 ? -40.250 25.666 -11.068 1.00 108.96 ? 522 ASP B CA 1 ATOM 2151 C C . ASP B 2 21 ? -39.044 26.623 -10.931 1.00 110.11 ? 522 ASP B C 1 ATOM 2152 O O . ASP B 2 21 ? -39.143 27.804 -11.284 1.00 108.96 ? 522 ASP B O 1 ATOM 2153 C CB . ASP B 2 21 ? -41.287 25.932 -9.954 1.00 111.77 ? 522 ASP B CB 1 ATOM 2154 C CG . ASP B 2 21 ? -42.340 26.958 -10.351 1.00 113.00 ? 522 ASP B CG 1 ATOM 2155 O OD1 . ASP B 2 21 ? -42.920 26.837 -11.454 1.00 114.42 ? 522 ASP B OD1 1 ATOM 2156 O OD2 . ASP B 2 21 ? -42.608 27.871 -9.537 1.00 114.51 ? 522 ASP B OD2 1 ATOM 2157 N N . GLU B 2 22 ? -37.923 26.109 -10.414 1.00 110.86 ? 523 GLU B N 1 ATOM 2158 C CA . GLU B 2 22 ? -36.682 26.871 -10.283 1.00 112.45 ? 523 GLU B CA 1 ATOM 2159 C C . GLU B 2 22 ? -35.481 25.951 -10.545 1.00 112.86 ? 523 GLU B C 1 ATOM 2160 O O . GLU B 2 22 ? -34.668 25.688 -9.654 1.00 113.26 ? 523 GLU B O 1 ATOM 2161 C CB . GLU B 2 22 ? -36.622 27.518 -8.892 1.00 113.73 ? 523 GLU B CB 1 ATOM 2162 C CG . GLU B 2 22 ? -35.519 28.559 -8.724 1.00 115.72 ? 523 GLU B CG 1 ATOM 2163 C CD . GLU B 2 22 ? -35.818 29.574 -7.633 1.00 115.88 ? 523 GLU B CD 1 ATOM 2164 O OE1 . GLU B 2 22 ? -36.908 30.188 -7.675 1.00 113.14 ? 523 GLU B OE1 1 ATOM 2165 O OE2 . GLU B 2 22 ? -34.966 29.773 -6.735 1.00 115.76 ? 523 GLU B OE2 1 ATOM 2166 N N . GLY B 2 23 ? -35.378 25.479 -11.788 1.00 113.51 ? 524 GLY B N 1 ATOM 2167 C CA . GLY B 2 23 ? -34.389 24.466 -12.168 1.00 116.78 ? 524 GLY B CA 1 ATOM 2168 C C . GLY B 2 23 ? -33.564 24.754 -13.413 1.00 118.65 ? 524 GLY B C 1 ATOM 2169 O O . GLY B 2 23 ? -33.733 24.090 -14.436 1.00 120.58 ? 524 GLY B O 1 ATOM 2170 N N . ALA B 2 24 ? -32.682 25.749 -13.316 1.00 119.48 ? 525 ALA B N 1 ATOM 2171 C CA . ALA B 2 24 ? -31.560 25.944 -14.262 1.00 119.42 ? 525 ALA B CA 1 ATOM 2172 C C . ALA B 2 24 ? -30.637 27.071 -13.762 1.00 120.41 ? 525 ALA B C 1 ATOM 2173 O O . ALA B 2 24 ? -30.413 28.078 -14.445 1.00 118.99 ? 525 ALA B O 1 ATOM 2174 C CB . ALA B 2 24 ? -32.048 26.219 -15.687 1.00 116.48 ? 525 ALA B CB 1 ATOM 2175 N N . ALA B 2 25 ? -30.097 26.874 -12.560 1.00 119.80 ? 526 ALA B N 1 ATOM 2176 C CA . ALA B 2 25 ? -29.183 27.839 -11.941 1.00 118.09 ? 526 ALA B CA 1 ATOM 2177 C C . ALA B 2 25 ? -27.794 27.899 -12.604 1.00 115.26 ? 526 ALA B C 1 ATOM 2178 O O . ALA B 2 25 ? -27.032 28.827 -12.324 1.00 116.54 ? 526 ALA B O 1 ATOM 2179 C CB . ALA B 2 25 ? -29.040 27.546 -10.450 1.00 117.54 ? 526 ALA B CB 1 ATOM 2180 N N . ILE B 2 26 ? -27.471 26.936 -13.477 1.00 109.86 ? 527 ILE B N 1 ATOM 2181 C CA . ILE B 2 26 ? -26.123 26.819 -14.051 1.00 106.55 ? 527 ILE B CA 1 ATOM 2182 C C . ILE B 2 26 ? -25.913 27.847 -15.176 1.00 100.29 ? 527 ILE B C 1 ATOM 2183 O O . ILE B 2 26 ? -26.374 27.653 -16.305 1.00 97.90 ? 527 ILE B O 1 ATOM 2184 C CB . ILE B 2 26 ? -25.831 25.385 -14.585 1.00 107.95 ? 527 ILE B CB 1 ATOM 2185 C CG1 . ILE B 2 26 ? -26.059 24.312 -13.504 1.00 107.79 ? 527 ILE B CG1 1 ATOM 2186 C CG2 . ILE B 2 26 ? -24.397 25.288 -15.109 1.00 108.72 ? 527 ILE B CG2 1 ATOM 2187 C CD1 . ILE B 2 26 ? -26.377 22.938 -14.064 1.00 107.49 ? 527 ILE B CD1 1 ATOM 2188 N N . GLY B 2 27 ? -25.230 28.942 -14.844 1.00 94.20 ? 528 GLY B N 1 ATOM 2189 C CA . GLY B 2 27 ? -24.778 29.925 -15.827 1.00 90.10 ? 528 GLY B CA 1 ATOM 2190 C C . GLY B 2 27 ? -25.891 30.711 -16.500 1.00 85.50 ? 528 GLY B C 1 ATOM 2191 O O . GLY B 2 27 ? -26.656 31.403 -15.828 1.00 85.09 ? 528 GLY B O 1 ATOM 2192 N N . LEU B 2 28 ? -25.972 30.590 -17.828 1.00 80.12 ? 529 LEU B N 1 ATOM 2193 C CA . LEU B 2 28 ? -26.962 31.298 -18.648 1.00 75.64 ? 529 LEU B CA 1 ATOM 2194 C C . LEU B 2 28 ? -28.217 30.468 -19.015 1.00 71.47 ? 529 LEU B C 1 ATOM 2195 O O . LEU B 2 28 ? -29.057 30.941 -19.782 1.00 71.14 ? 529 LEU B O 1 ATOM 2196 C CB . LEU B 2 28 ? -26.298 31.777 -19.944 1.00 76.38 ? 529 LEU B CB 1 ATOM 2197 C CG . LEU B 2 28 ? -25.055 32.668 -19.851 1.00 76.97 ? 529 LEU B CG 1 ATOM 2198 C CD1 . LEU B 2 28 ? -24.387 32.774 -21.219 1.00 77.55 ? 529 LEU B CD1 1 ATOM 2199 C CD2 . LEU B 2 28 ? -25.401 34.047 -19.316 1.00 75.91 ? 529 LEU B CD2 1 ATOM 2200 N N . ALA B 2 29 ? -28.363 29.260 -18.465 1.00 66.78 ? 530 ALA B N 1 ATOM 2201 C CA . ALA B 2 29 ? -29.445 28.345 -18.865 1.00 62.81 ? 530 ALA B CA 1 ATOM 2202 C C . ALA B 2 29 ? -30.874 28.839 -18.556 1.00 60.75 ? 530 ALA B C 1 ATOM 2203 O O . ALA B 2 29 ? -31.833 28.373 -19.169 1.00 59.92 ? 530 ALA B O 1 ATOM 2204 C CB . ALA B 2 29 ? -29.222 26.979 -18.239 1.00 62.51 ? 530 ALA B CB 1 ATOM 2205 N N . TRP B 2 30 ? -31.014 29.745 -17.589 1.00 58.54 ? 531 TRP B N 1 ATOM 2206 C CA . TRP B 2 30 ? -32.319 30.346 -17.246 1.00 55.89 ? 531 TRP B CA 1 ATOM 2207 C C . TRP B 2 30 ? -32.852 31.314 -18.306 1.00 54.99 ? 531 TRP B C 1 ATOM 2208 O O . TRP B 2 30 ? -34.065 31.483 -18.429 1.00 54.55 ? 531 TRP B O 1 ATOM 2209 C CB . TRP B 2 30 ? -32.259 31.056 -15.887 1.00 55.26 ? 531 TRP B CB 1 ATOM 2210 C CG . TRP B 2 30 ? -31.297 32.185 -15.837 1.00 54.82 ? 531 TRP B CG 1 ATOM 2211 C CD1 . TRP B 2 30 ? -29.983 32.127 -15.486 1.00 55.21 ? 531 TRP B CD1 1 ATOM 2212 C CD2 . TRP B 2 30 ? -31.569 33.546 -16.155 1.00 54.51 ? 531 TRP B CD2 1 ATOM 2213 N NE1 . TRP B 2 30 ? -29.414 33.371 -15.567 1.00 55.63 ? 531 TRP B NE1 1 ATOM 2214 C CE2 . TRP B 2 30 ? -30.367 34.264 -15.976 1.00 55.13 ? 531 TRP B CE2 1 ATOM 2215 C CE3 . TRP B 2 30 ? -32.713 34.233 -16.577 1.00 53.67 ? 531 TRP B CE3 1 ATOM 2216 C CZ2 . TRP B 2 30 ? -30.276 35.636 -16.205 1.00 54.85 ? 531 TRP B CZ2 1 ATOM 2217 C CZ3 . TRP B 2 30 ? -32.624 35.599 -16.799 1.00 53.52 ? 531 TRP B CZ3 1 ATOM 2218 C CH2 . TRP B 2 30 ? -31.413 36.284 -16.613 1.00 54.35 ? 531 TRP B CH2 1 ATOM 2219 N N . ILE B 2 31 ? -31.942 31.950 -19.046 1.00 54.89 ? 532 ILE B N 1 ATOM 2220 C CA . ILE B 2 31 ? -32.289 32.858 -20.145 1.00 54.36 ? 532 ILE B CA 1 ATOM 2221 C C . ILE B 2 31 ? -32.909 32.033 -21.276 1.00 54.26 ? 532 ILE B C 1 ATOM 2222 O O . ILE B 2 31 ? -32.257 31.112 -21.761 1.00 55.21 ? 532 ILE B O 1 ATOM 2223 C CB . ILE B 2 31 ? -31.042 33.588 -20.694 1.00 55.09 ? 532 ILE B CB 1 ATOM 2224 C CG1 . ILE B 2 31 ? -30.454 34.517 -19.628 1.00 55.63 ? 532 ILE B CG1 1 ATOM 2225 C CG2 . ILE B 2 31 ? -31.373 34.383 -21.957 1.00 55.06 ? 532 ILE B CG2 1 ATOM 2226 C CD1 . ILE B 2 31 ? -29.000 34.872 -19.849 1.00 56.81 ? 532 ILE B CD1 1 ATOM 2227 N N . PRO B 2 32 ? -34.159 32.354 -21.698 1.00 53.51 ? 533 PRO B N 1 ATOM 2228 C CA . PRO B 2 32 ? -34.839 31.574 -22.745 1.00 52.94 ? 533 PRO B CA 1 ATOM 2229 C C . PRO B 2 32 ? -34.050 31.407 -24.048 1.00 53.58 ? 533 PRO B C 1 ATOM 2230 O O . PRO B 2 32 ? -34.054 30.323 -24.636 1.00 52.77 ? 533 PRO B O 1 ATOM 2231 C CB . PRO B 2 32 ? -36.116 32.373 -22.998 1.00 52.94 ? 533 PRO B CB 1 ATOM 2232 C CG . PRO B 2 32 ? -36.398 33.043 -21.700 1.00 52.51 ? 533 PRO B CG 1 ATOM 2233 C CD . PRO B 2 32 ? -35.057 33.380 -21.127 1.00 53.09 ? 533 PRO B CD 1 ATOM 2234 N N . TYR B 2 33 ? -33.374 32.471 -24.478 1.00 54.37 ? 534 TYR B N 1 ATOM 2235 C CA . TYR B 2 33 ? -32.522 32.425 -25.674 1.00 55.65 ? 534 TYR B CA 1 ATOM 2236 C C . TYR B 2 33 ? -31.453 31.324 -25.608 1.00 55.73 ? 534 TYR B C 1 ATOM 2237 O O . TYR B 2 33 ? -31.157 30.679 -26.625 1.00 56.67 ? 534 TYR B O 1 ATOM 2238 C CB . TYR B 2 33 ? -31.858 33.791 -25.912 1.00 56.89 ? 534 TYR B CB 1 ATOM 2239 C CG . TYR B 2 33 ? -30.931 33.840 -27.110 1.00 58.41 ? 534 TYR B CG 1 ATOM 2240 C CD1 . TYR B 2 33 ? -29.558 33.677 -26.953 1.00 59.39 ? 534 TYR B CD1 1 ATOM 2241 C CD2 . TYR B 2 33 ? -31.427 34.039 -28.405 1.00 58.91 ? 534 TYR B CD2 1 ATOM 2242 C CE1 . TYR B 2 33 ? -28.701 33.716 -28.041 1.00 60.56 ? 534 TYR B CE1 1 ATOM 2243 C CE2 . TYR B 2 33 ? -30.576 34.075 -29.502 1.00 59.76 ? 534 TYR B CE2 1 ATOM 2244 C CZ . TYR B 2 33 ? -29.213 33.915 -29.311 1.00 60.83 ? 534 TYR B CZ 1 ATOM 2245 O OH . TYR B 2 33 ? -28.349 33.953 -30.378 1.00 62.15 ? 534 TYR B OH 1 ATOM 2246 N N . PHE B 2 34 ? -30.886 31.113 -24.422 1.00 54.48 ? 535 PHE B N 1 ATOM 2247 C CA . PHE B 2 34 ? -29.832 30.116 -24.235 1.00 54.64 ? 535 PHE B CA 1 ATOM 2248 C C . PHE B 2 34 ? -30.320 28.779 -23.687 1.00 55.03 ? 535 PHE B C 1 ATOM 2249 O O . PHE B 2 34 ? -29.677 27.761 -23.911 1.00 56.31 ? 535 PHE B O 1 ATOM 2250 C CB . PHE B 2 34 ? -28.750 30.674 -23.321 1.00 54.02 ? 535 PHE B CB 1 ATOM 2251 C CG . PHE B 2 34 ? -27.955 31.776 -23.943 1.00 53.75 ? 535 PHE B CG 1 ATOM 2252 C CD1 . PHE B 2 34 ? -27.066 31.499 -24.974 1.00 53.90 ? 535 PHE B CD1 1 ATOM 2253 C CD2 . PHE B 2 34 ? -28.084 33.089 -23.500 1.00 53.32 ? 535 PHE B CD2 1 ATOM 2254 C CE1 . PHE B 2 34 ? -26.318 32.508 -25.556 1.00 54.55 ? 535 PHE B CE1 1 ATOM 2255 C CE2 . PHE B 2 34 ? -27.337 34.105 -24.083 1.00 54.12 ? 535 PHE B CE2 1 ATOM 2256 C CZ . PHE B 2 34 ? -26.453 33.815 -25.113 1.00 54.48 ? 535 PHE B CZ 1 ATOM 2257 N N . GLY B 2 35 ? -31.449 28.777 -22.985 1.00 55.06 ? 536 GLY B N 1 ATOM 2258 C CA . GLY B 2 35 ? -31.917 27.601 -22.262 1.00 54.56 ? 536 GLY B CA 1 ATOM 2259 C C . GLY B 2 35 ? -32.444 26.462 -23.111 1.00 54.64 ? 536 GLY B C 1 ATOM 2260 O O . GLY B 2 35 ? -32.372 26.508 -24.334 1.00 55.21 ? 536 GLY B O 1 ATOM 2261 N N . PRO B 2 36 ? -32.986 25.421 -22.459 1.00 54.78 ? 537 PRO B N 1 ATOM 2262 C CA . PRO B 2 36 ? -33.463 24.265 -23.202 1.00 55.12 ? 537 PRO B CA 1 ATOM 2263 C C . PRO B 2 36 ? -34.686 24.592 -24.040 1.00 55.27 ? 537 PRO B C 1 ATOM 2264 O O . PRO B 2 36 ? -35.413 25.527 -23.724 1.00 53.31 ? 537 PRO B O 1 ATOM 2265 C CB . PRO B 2 36 ? -33.821 23.253 -22.100 1.00 54.72 ? 537 PRO B CB 1 ATOM 2266 C CG . PRO B 2 36 ? -34.041 24.062 -20.878 1.00 54.07 ? 537 PRO B CG 1 ATOM 2267 C CD . PRO B 2 36 ? -33.131 25.242 -21.000 1.00 54.56 ? 537 PRO B CD 1 ATOM 2268 N N . ALA B 2 37 ? -34.882 23.824 -25.110 1.00 56.77 ? 538 ALA B N 1 ATOM 2269 C CA . ALA B 2 37 ? -36.110 23.876 -25.891 1.00 57.90 ? 538 ALA B CA 1 ATOM 2270 C C . ALA B 2 37 ? -37.221 23.171 -25.121 1.00 59.08 ? 538 ALA B C 1 ATOM 2271 O O . ALA B 2 37 ? -36.957 22.471 -24.132 1.00 60.18 ? 538 ALA B O 1 ATOM 2272 C CB . ALA B 2 37 ? -35.906 23.210 -27.241 1.00 57.99 ? 538 ALA B CB 1 ATOM 2273 N N . ALA B 2 38 ? -38.455 23.328 -25.598 1.00 59.44 ? 539 ALA B N 1 ATOM 2274 C CA . ALA B 2 38 ? -39.629 22.664 -25.010 1.00 59.87 ? 539 ALA B CA 1 ATOM 2275 C C . ALA B 2 38 ? -39.408 21.203 -24.609 1.00 60.78 ? 539 ALA B C 1 ATOM 2276 O O . ALA B 2 38 ? -39.939 20.755 -23.597 1.00 61.36 ? 539 ALA B O 1 ATOM 2277 C CB . ALA B 2 38 ? -40.814 22.757 -25.958 1.00 59.57 ? 539 ALA B CB 1 ATOM 2278 N N . GLU B 2 39 ? -38.615 20.474 -25.389 1.00 62.08 ? 540 GLU B N 1 ATOM 2279 C CA . GLU B 2 39 ? -38.409 19.039 -25.169 1.00 63.26 ? 540 GLU B CA 1 ATOM 2280 C C . GLU B 2 39 ? -37.503 18.717 -23.968 1.00 61.49 ? 540 GLU B C 1 ATOM 2281 O O . GLU B 2 39 ? -37.566 17.600 -23.441 1.00 61.36 ? 540 GLU B O 1 ATOM 2282 C CB . GLU B 2 39 ? -37.845 18.369 -26.433 1.00 66.48 ? 540 GLU B CB 1 ATOM 2283 C CG . GLU B 2 39 ? -38.788 18.357 -27.639 1.00 69.94 ? 540 GLU B CG 1 ATOM 2284 C CD . GLU B 2 39 ? -38.840 19.672 -28.423 1.00 73.75 ? 540 GLU B CD 1 ATOM 2285 O OE1 . GLU B 2 39 ? -39.903 19.969 -29.015 1.00 76.81 ? 540 GLU B OE1 1 ATOM 2286 O OE2 . GLU B 2 39 ? -37.834 20.424 -28.447 1.00 77.09 ? 540 GLU B OE2 1 ATOM 2287 N N . GLY B 2 40 ? -36.675 19.678 -23.543 1.00 59.24 ? 541 GLY B N 1 ATOM 2288 C CA . GLY B 2 40 ? -35.658 19.446 -22.517 1.00 58.01 ? 541 GLY B CA 1 ATOM 2289 C C . GLY B 2 40 ? -35.824 20.211 -21.219 1.00 56.88 ? 541 GLY B C 1 ATOM 2290 O O . GLY B 2 40 ? -34.832 20.594 -20.605 1.00 57.28 ? 541 GLY B O 1 ATOM 2291 N N . ILE B 2 41 ? -37.068 20.413 -20.787 1.00 55.51 ? 542 ILE B N 1 ATOM 2292 C CA . ILE B 2 41 ? -37.364 21.110 -19.525 1.00 54.08 ? 542 ILE B CA 1 ATOM 2293 C C . ILE B 2 41 ? -37.847 20.163 -18.439 1.00 54.22 ? 542 ILE B C 1 ATOM 2294 O O . ILE B 2 41 ? -38.177 20.607 -17.340 1.00 54.94 ? 542 ILE B O 1 ATOM 2295 C CB . ILE B 2 41 ? -38.425 22.225 -19.704 1.00 53.64 ? 542 ILE B CB 1 ATOM 2296 C CG1 . ILE B 2 41 ? -39.806 21.654 -20.080 1.00 53.54 ? 542 ILE B CG1 1 ATOM 2297 C CG2 . ILE B 2 41 ? -37.953 23.233 -20.737 1.00 53.48 ? 542 ILE B CG2 1 ATOM 2298 C CD1 . ILE B 2 41 ? -40.933 22.660 -20.021 1.00 53.16 ? 542 ILE B CD1 1 ATOM 2299 N N . TYR B 2 42 ? -37.897 18.865 -18.736 1.00 54.53 ? 543 TYR B N 1 ATOM 2300 C CA . TYR B 2 42 ? -38.493 17.895 -17.828 1.00 53.95 ? 543 TYR B CA 1 ATOM 2301 C C . TYR B 2 42 ? -37.464 17.258 -16.913 1.00 55.45 ? 543 TYR B C 1 ATOM 2302 O O . TYR B 2 42 ? -36.325 17.026 -17.300 1.00 55.56 ? 543 TYR B O 1 ATOM 2303 C CB . TYR B 2 42 ? -39.216 16.810 -18.617 1.00 53.52 ? 543 TYR B CB 1 ATOM 2304 C CG . TYR B 2 42 ? -40.240 17.377 -19.563 1.00 52.69 ? 543 TYR B CG 1 ATOM 2305 C CD1 . TYR B 2 42 ? -41.471 17.823 -19.102 1.00 51.69 ? 543 TYR B CD1 1 ATOM 2306 C CD2 . TYR B 2 42 ? -39.966 17.491 -20.916 1.00 52.72 ? 543 TYR B CD2 1 ATOM 2307 C CE1 . TYR B 2 42 ? -42.407 18.353 -19.967 1.00 51.60 ? 543 TYR B CE1 1 ATOM 2308 C CE2 . TYR B 2 42 ? -40.889 18.021 -21.786 1.00 52.38 ? 543 TYR B CE2 1 ATOM 2309 C CZ . TYR B 2 42 ? -42.106 18.452 -21.309 1.00 51.82 ? 543 TYR B CZ 1 ATOM 2310 O OH . TYR B 2 42 ? -43.005 18.977 -22.195 1.00 51.65 ? 543 TYR B OH 1 ATOM 2311 N N . ILE B 2 43 ? -37.883 16.992 -15.684 1.00 57.52 ? 544 ILE B N 1 ATOM 2312 C CA . ILE B 2 43 ? -37.139 16.131 -14.779 1.00 59.12 ? 544 ILE B CA 1 ATOM 2313 C C . ILE B 2 43 ? -37.906 14.824 -14.687 1.00 58.77 ? 544 ILE B C 1 ATOM 2314 O O . ILE B 2 43 ? -39.110 14.798 -14.937 1.00 57.62 ? 544 ILE B O 1 ATOM 2315 C CB . ILE B 2 43 ? -36.919 16.777 -13.392 1.00 60.10 ? 544 ILE B CB 1 ATOM 2316 C CG1 . ILE B 2 43 ? -38.233 16.980 -12.629 1.00 61.39 ? 544 ILE B CG1 1 ATOM 2317 C CG2 . ILE B 2 43 ? -36.199 18.107 -13.556 1.00 60.01 ? 544 ILE B CG2 1 ATOM 2318 C CD1 . ILE B 2 43 ? -38.042 17.488 -11.209 1.00 63.13 ? 544 ILE B CD1 1 ATOM 2319 N N . GLU B 2 44 ? -37.200 13.746 -14.361 1.00 59.84 ? 545 GLU B N 1 ATOM 2320 C CA . GLU B 2 44 ? -37.822 12.441 -14.199 1.00 60.57 ? 545 GLU B CA 1 ATOM 2321 C C . GLU B 2 44 ? -37.583 11.903 -12.810 1.00 60.02 ? 545 GLU B C 1 ATOM 2322 O O . GLU B 2 44 ? -36.637 12.292 -12.136 1.00 60.10 ? 545 GLU B O 1 ATOM 2323 C CB . GLU B 2 44 ? -37.326 11.440 -15.251 1.00 62.29 ? 545 GLU B CB 1 ATOM 2324 C CG . GLU B 2 44 ? -35.870 11.000 -15.148 1.00 64.16 ? 545 GLU B CG 1 ATOM 2325 C CD . GLU B 2 44 ? -35.590 9.736 -15.950 1.00 66.85 ? 545 GLU B CD 1 ATOM 2326 O OE1 . GLU B 2 44 ? -36.210 8.687 -15.667 1.00 67.27 ? 545 GLU B OE1 1 ATOM 2327 O OE2 . GLU B 2 44 ? -34.743 9.783 -16.866 1.00 70.09 ? 545 GLU B OE2 1 ATOM 2328 N N . GLY B 2 45 ? -38.463 11.006 -12.391 1.00 59.51 ? 546 GLY B N 1 ATOM 2329 C CA . GLY B 2 45 ? -38.277 10.253 -11.169 1.00 59.15 ? 546 GLY B CA 1 ATOM 2330 C C . GLY B 2 45 ? -39.050 8.959 -11.212 1.00 59.18 ? 546 GLY B C 1 ATOM 2331 O O . GLY B 2 45 ? -39.892 8.757 -12.080 1.00 58.09 ? 546 GLY B O 1 ATOM 2332 N N . LEU B 2 46 ? -38.738 8.086 -10.265 1.00 61.16 ? 547 LEU B N 1 ATOM 2333 C CA . LEU B 2 46 ? -39.385 6.798 -10.125 1.00 62.58 ? 547 LEU B CA 1 ATOM 2334 C C . LEU B 2 46 ? -39.885 6.693 -8.708 1.00 63.78 ? 547 LEU B C 1 ATOM 2335 O O . LEU B 2 46 ? -39.163 7.017 -7.772 1.00 65.30 ? 547 LEU B O 1 ATOM 2336 C CB . LEU B 2 46 ? -38.389 5.675 -10.407 1.00 63.55 ? 547 LEU B CB 1 ATOM 2337 C CG . LEU B 2 46 ? -38.908 4.240 -10.349 1.00 64.00 ? 547 LEU B CG 1 ATOM 2338 C CD1 . LEU B 2 46 ? -40.048 4.029 -11.333 1.00 63.39 ? 547 LEU B CD1 1 ATOM 2339 C CD2 . LEU B 2 46 ? -37.760 3.288 -10.639 1.00 65.28 ? 547 LEU B CD2 1 ATOM 2340 N N . MET B 2 47 ? -41.116 6.223 -8.557 1.00 65.58 ? 548 MET B N 1 ATOM 2341 C CA . MET B 2 47 ? -41.756 6.114 -7.259 1.00 66.11 ? 548 MET B CA 1 ATOM 2342 C C . MET B 2 47 ? -42.413 4.753 -7.139 1.00 64.51 ? 548 MET B C 1 ATOM 2343 O O . MET B 2 47 ? -43.210 4.369 -7.991 1.00 64.03 ? 548 MET B O 1 ATOM 2344 C CB . MET B 2 47 ? -42.785 7.218 -7.132 1.00 68.71 ? 548 MET B CB 1 ATOM 2345 C CG . MET B 2 47 ? -43.335 7.422 -5.736 1.00 71.96 ? 548 MET B CG 1 ATOM 2346 S SD . MET B 2 47 ? -43.257 9.165 -5.293 1.00 78.51 ? 548 MET B SD 1 ATOM 2347 C CE . MET B 2 47 ? -44.127 9.960 -6.647 1.00 77.12 ? 548 MET B CE 1 ATOM 2348 N N . HIS B 2 48 ? -42.070 4.030 -6.079 1.00 63.59 ? 549 HIS B N 1 ATOM 2349 C CA . HIS B 2 48 ? -42.582 2.681 -5.859 1.00 62.45 ? 549 HIS B CA 1 ATOM 2350 C C . HIS B 2 48 ? -43.825 2.717 -4.976 1.00 60.27 ? 549 HIS B C 1 ATOM 2351 O O . HIS B 2 48 ? -44.184 3.762 -4.445 1.00 58.81 ? 549 HIS B O 1 ATOM 2352 C CB . HIS B 2 48 ? -41.482 1.810 -5.269 1.00 63.66 ? 549 HIS B CB 1 ATOM 2353 C CG . HIS B 2 48 ? -40.226 1.806 -6.088 1.00 64.91 ? 549 HIS B CG 1 ATOM 2354 N ND1 . HIS B 2 48 ? -40.113 1.112 -7.274 1.00 65.74 ? 549 HIS B ND1 1 ATOM 2355 C CD2 . HIS B 2 48 ? -39.035 2.423 -5.900 1.00 65.90 ? 549 HIS B CD2 1 ATOM 2356 C CE1 . HIS B 2 48 ? -38.904 1.290 -7.776 1.00 66.20 ? 549 HIS B CE1 1 ATOM 2357 N NE2 . HIS B 2 48 ? -38.228 2.081 -6.961 1.00 66.55 ? 549 HIS B NE2 1 ATOM 2358 N N . ASN B 2 49 ? -44.472 1.566 -4.818 1.00 60.07 ? 550 ASN B N 1 ATOM 2359 C CA . ASN B 2 49 ? -45.804 1.475 -4.209 1.00 58.90 ? 550 ASN B CA 1 ATOM 2360 C C . ASN B 2 49 ? -45.772 1.305 -2.684 1.00 60.50 ? 550 ASN B C 1 ATOM 2361 O O . ASN B 2 49 ? -46.582 0.560 -2.126 1.00 60.80 ? 550 ASN B O 1 ATOM 2362 C CB . ASN B 2 49 ? -46.568 0.311 -4.862 1.00 58.11 ? 550 ASN B CB 1 ATOM 2363 C CG . ASN B 2 49 ? -48.079 0.427 -4.731 1.00 57.04 ? 550 ASN B CG 1 ATOM 2364 O OD1 . ASN B 2 49 ? -48.646 1.521 -4.718 1.00 55.69 ? 550 ASN B OD1 1 ATOM 2365 N ND2 . ASN B 2 49 ? -48.743 -0.718 -4.650 1.00 57.31 ? 550 ASN B ND2 1 ATOM 2366 N N . GLN B 2 50 ? -44.855 2.002 -2.003 1.00 62.07 ? 551 GLN B N 1 ATOM 2367 C CA . GLN B 2 50 ? -44.882 2.080 -0.540 1.00 63.34 ? 551 GLN B CA 1 ATOM 2368 C C . GLN B 2 50 ? -46.223 2.644 -0.099 1.00 61.67 ? 551 GLN B C 1 ATOM 2369 O O . GLN B 2 50 ? -46.738 3.571 -0.715 1.00 61.05 ? 551 GLN B O 1 ATOM 2370 C CB . GLN B 2 50 ? -43.745 2.955 0.019 1.00 66.10 ? 551 GLN B CB 1 ATOM 2371 C CG . GLN B 2 50 ? -42.574 2.179 0.621 1.00 70.06 ? 551 GLN B CG 1 ATOM 2372 C CD . GLN B 2 50 ? -42.937 1.331 1.856 1.00 72.71 ? 551 GLN B CD 1 ATOM 2373 O OE1 . GLN B 2 50 ? -42.556 0.160 1.943 1.00 76.22 ? 551 GLN B OE1 1 ATOM 2374 N NE2 . GLN B 2 50 ? -43.662 1.919 2.811 1.00 72.21 ? 551 GLN B NE2 1 ATOM 2375 N N . ASP B 2 51 ? -46.789 2.052 0.949 1.00 61.50 ? 552 ASP B N 1 ATOM 2376 C CA . ASP B 2 51 ? -48.086 2.450 1.506 1.00 60.91 ? 552 ASP B CA 1 ATOM 2377 C C . ASP B 2 51 ? -49.237 2.390 0.489 1.00 59.18 ? 552 ASP B C 1 ATOM 2378 O O . ASP B 2 51 ? -50.264 3.048 0.656 1.00 58.49 ? 552 ASP B O 1 ATOM 2379 C CB . ASP B 2 51 ? -47.972 3.839 2.162 1.00 61.32 ? 552 ASP B CB 1 ATOM 2380 C CG . ASP B 2 51 ? -46.986 3.864 3.331 1.00 63.14 ? 552 ASP B CG 1 ATOM 2381 O OD1 . ASP B 2 51 ? -46.289 4.889 3.476 1.00 65.41 ? 552 ASP B OD1 1 ATOM 2382 O OD2 . ASP B 2 51 ? -46.895 2.883 4.108 1.00 63.13 ? 552 ASP B OD2 1 ATOM 2383 N N . GLY B 2 52 ? -49.062 1.570 -0.548 1.00 58.36 ? 553 GLY B N 1 ATOM 2384 C CA . GLY B 2 52 ? -50.021 1.447 -1.639 1.00 57.76 ? 553 GLY B CA 1 ATOM 2385 C C . GLY B 2 52 ? -50.388 2.732 -2.357 1.00 56.72 ? 553 GLY B C 1 ATOM 2386 O O . GLY B 2 52 ? -51.457 2.807 -2.965 1.00 56.58 ? 553 GLY B O 1 ATOM 2387 N N . LEU B 2 53 ? -49.496 3.724 -2.320 1.00 56.19 ? 554 LEU B N 1 ATOM 2388 C CA . LEU B 2 53 ? -49.820 5.086 -2.771 1.00 54.92 ? 554 LEU B CA 1 ATOM 2389 C C . LEU B 2 53 ? -49.955 5.208 -4.283 1.00 53.55 ? 554 LEU B C 1 ATOM 2390 O O . LEU B 2 53 ? -50.785 5.980 -4.753 1.00 53.19 ? 554 LEU B O 1 ATOM 2391 C CB . LEU B 2 53 ? -48.785 6.093 -2.260 1.00 54.66 ? 554 LEU B CB 1 ATOM 2392 C CG . LEU B 2 53 ? -48.674 6.220 -0.739 1.00 55.27 ? 554 LEU B CG 1 ATOM 2393 C CD1 . LEU B 2 53 ? -47.507 7.126 -0.385 1.00 55.16 ? 554 LEU B CD1 1 ATOM 2394 C CD2 . LEU B 2 53 ? -49.963 6.731 -0.106 1.00 55.66 ? 554 LEU B CD2 1 ATOM 2395 N N . ILE B 2 54 ? -49.167 4.440 -5.034 1.00 52.83 ? 555 ILE B N 1 ATOM 2396 C CA . ILE B 2 54 ? -49.256 4.460 -6.491 1.00 52.54 ? 555 ILE B CA 1 ATOM 2397 C C . ILE B 2 54 ? -50.562 3.819 -6.930 1.00 53.47 ? 555 ILE B C 1 ATOM 2398 O O . ILE B 2 54 ? -51.302 4.420 -7.698 1.00 53.81 ? 555 ILE B O 1 ATOM 2399 C CB . ILE B 2 54 ? -48.073 3.746 -7.183 1.00 52.31 ? 555 ILE B CB 1 ATOM 2400 C CG1 . ILE B 2 54 ? -46.724 4.360 -6.760 1.00 52.36 ? 555 ILE B CG1 1 ATOM 2401 C CG2 . ILE B 2 54 ? -48.240 3.772 -8.701 1.00 51.87 ? 555 ILE B CG2 1 ATOM 2402 C CD1 . ILE B 2 54 ? -46.608 5.859 -6.935 1.00 51.95 ? 555 ILE B CD1 1 ATOM 2403 N N . CYS B 2 55 ? -50.858 2.616 -6.441 1.00 54.88 ? 556 CYS B N 1 ATOM 2404 C CA . CYS B 2 55 ? -52.130 1.963 -6.781 1.00 55.43 ? 556 CYS B CA 1 ATOM 2405 C C . CYS B 2 55 ? -53.335 2.777 -6.313 1.00 54.58 ? 556 CYS B C 1 ATOM 2406 O O . CYS B 2 55 ? -54.360 2.807 -6.994 1.00 54.92 ? 556 CYS B O 1 ATOM 2407 C CB . CYS B 2 55 ? -52.189 0.526 -6.254 1.00 57.32 ? 556 CYS B CB 1 ATOM 2408 S SG . CYS B 2 55 ? -51.107 -0.631 -7.151 1.00 60.39 ? 556 CYS B SG 1 ATOM 2409 N N . GLY B 2 56 ? -53.197 3.463 -5.181 1.00 53.57 ? 557 GLY B N 1 ATOM 2410 C CA . GLY B 2 56 ? -54.216 4.402 -4.714 1.00 52.99 ? 557 GLY B CA 1 ATOM 2411 C C . GLY B 2 56 ? -54.388 5.591 -5.641 1.00 52.03 ? 557 GLY B C 1 ATOM 2412 O O . GLY B 2 56 ? -55.512 5.947 -6.007 1.00 52.34 ? 557 GLY B O 1 ATOM 2413 N N . LEU B 2 57 ? -53.268 6.197 -6.027 1.00 50.92 ? 558 LEU B N 1 ATOM 2414 C CA . LEU B 2 57 ? -53.266 7.339 -6.939 1.00 49.79 ? 558 LEU B CA 1 ATOM 2415 C C . LEU B 2 57 ? -53.987 7.027 -8.252 1.00 49.57 ? 558 LEU B C 1 ATOM 2416 O O . LEU B 2 57 ? -54.782 7.837 -8.725 1.00 49.77 ? 558 LEU B O 1 ATOM 2417 C CB . LEU B 2 57 ? -51.826 7.797 -7.224 1.00 49.48 ? 558 LEU B CB 1 ATOM 2418 C CG . LEU B 2 57 ? -51.643 9.033 -8.113 1.00 49.16 ? 558 LEU B CG 1 ATOM 2419 C CD1 . LEU B 2 57 ? -52.200 10.286 -7.450 1.00 49.09 ? 558 LEU B CD1 1 ATOM 2420 C CD2 . LEU B 2 57 ? -50.183 9.232 -8.472 1.00 49.44 ? 558 LEU B CD2 1 ATOM 2421 N N . ARG B 2 58 ? -53.715 5.855 -8.829 1.00 49.45 ? 559 ARG B N 1 ATOM 2422 C CA . ARG B 2 58 ? -54.369 5.430 -10.075 1.00 48.83 ? 559 ARG B CA 1 ATOM 2423 C C . ARG B 2 58 ? -55.881 5.388 -9.913 1.00 48.80 ? 559 ARG B C 1 ATOM 2424 O O . ARG B 2 58 ? -56.614 5.886 -10.765 1.00 47.67 ? 559 ARG B O 1 ATOM 2425 C CB . ARG B 2 58 ? -53.860 4.064 -10.538 1.00 48.95 ? 559 ARG B CB 1 ATOM 2426 C CG . ARG B 2 58 ? -52.420 4.089 -11.003 1.00 48.80 ? 559 ARG B CG 1 ATOM 2427 C CD . ARG B 2 58 ? -51.978 2.814 -11.717 1.00 49.33 ? 559 ARG B CD 1 ATOM 2428 N NE . ARG B 2 58 ? -50.525 2.838 -11.883 1.00 49.25 ? 559 ARG B NE 1 ATOM 2429 C CZ . ARG B 2 58 ? -49.865 3.611 -12.749 1.00 48.45 ? 559 ARG B CZ 1 ATOM 2430 N NH1 . ARG B 2 58 ? -48.536 3.572 -12.778 1.00 48.33 ? 559 ARG B NH1 1 ATOM 2431 N NH2 . ARG B 2 58 ? -50.516 4.425 -13.584 1.00 47.85 ? 559 ARG B NH2 1 ATOM 2432 N N . GLN B 2 59 ? -56.333 4.813 -8.801 1.00 49.30 ? 560 GLN B N 1 ATOM 2433 C CA . GLN B 2 59 ? -57.756 4.754 -8.497 1.00 49.37 ? 560 GLN B CA 1 ATOM 2434 C C . GLN B 2 59 ? -58.339 6.134 -8.237 1.00 48.79 ? 560 GLN B C 1 ATOM 2435 O O . GLN B 2 59 ? -59.449 6.425 -8.679 1.00 48.56 ? 560 GLN B O 1 ATOM 2436 C CB . GLN B 2 59 ? -58.006 3.853 -7.293 1.00 50.24 ? 560 GLN B CB 1 ATOM 2437 C CG . GLN B 2 59 ? -59.478 3.615 -6.972 1.00 50.72 ? 560 GLN B CG 1 ATOM 2438 C CD . GLN B 2 59 ? -60.231 2.921 -8.096 1.00 51.01 ? 560 GLN B CD 1 ATOM 2439 O OE1 . GLN B 2 59 ? -59.666 2.112 -8.847 1.00 50.39 ? 560 GLN B OE1 1 ATOM 2440 N NE2 . GLN B 2 59 ? -61.516 3.236 -8.221 1.00 50.99 ? 560 GLN B NE2 1 ATOM 2441 N N . LEU B 2 60 ? -57.600 6.970 -7.510 1.00 48.89 ? 561 LEU B N 1 ATOM 2442 C CA . LEU B 2 60 ? -58.041 8.336 -7.230 1.00 48.91 ? 561 LEU B CA 1 ATOM 2443 C C . LEU B 2 60 ? -58.274 9.131 -8.523 1.00 49.04 ? 561 LEU B C 1 ATOM 2444 O O . LEU B 2 60 ? -59.316 9.780 -8.671 1.00 49.21 ? 561 LEU B O 1 ATOM 2445 C CB . LEU B 2 60 ? -57.043 9.057 -6.325 1.00 48.44 ? 561 LEU B CB 1 ATOM 2446 C CG . LEU B 2 60 ? -57.292 10.547 -6.081 1.00 48.04 ? 561 LEU B CG 1 ATOM 2447 C CD1 . LEU B 2 60 ? -58.638 10.775 -5.424 1.00 48.13 ? 561 LEU B CD1 1 ATOM 2448 C CD2 . LEU B 2 60 ? -56.172 11.135 -5.246 1.00 48.14 ? 561 LEU B CD2 1 ATOM 2449 N N . ALA B 2 61 ? -57.318 9.068 -9.452 1.00 49.45 ? 562 ALA B N 1 ATOM 2450 C CA . ALA B 2 61 ? -57.453 9.743 -10.765 1.00 49.64 ? 562 ALA B CA 1 ATOM 2451 C C . ALA B 2 61 ? -58.666 9.246 -11.569 1.00 50.04 ? 562 ALA B C 1 ATOM 2452 O O . ALA B 2 61 ? -59.378 10.035 -12.179 1.00 49.35 ? 562 ALA B O 1 ATOM 2453 C CB . ALA B 2 61 ? -56.177 9.599 -11.586 1.00 48.74 ? 562 ALA B CB 1 ATOM 2454 N N . ASN B 2 62 ? -58.891 7.940 -11.551 1.00 51.63 ? 563 ASN B N 1 ATOM 2455 C CA . ASN B 2 62 ? -60.066 7.343 -12.177 1.00 54.10 ? 563 ASN B CA 1 ATOM 2456 C C . ASN B 2 62 ? -61.355 7.929 -11.599 1.00 54.48 ? 563 ASN B C 1 ATOM 2457 O O . ASN B 2 62 ? -62.225 8.382 -12.357 1.00 53.54 ? 563 ASN B O 1 ATOM 2458 C CB . ASN B 2 62 ? -60.027 5.813 -12.012 1.00 56.09 ? 563 ASN B CB 1 ATOM 2459 C CG . ASN B 2 62 ? -61.330 5.131 -12.394 1.00 58.43 ? 563 ASN B CG 1 ATOM 2460 O OD1 . ASN B 2 62 ? -62.245 5.036 -11.583 1.00 58.38 ? 563 ASN B OD1 1 ATOM 2461 N ND2 . ASN B 2 62 ? -61.410 4.645 -13.623 1.00 61.57 ? 563 ASN B ND2 1 ATOM 2462 N N . GLU B 2 63 ? -61.459 7.909 -10.264 1.00 54.85 ? 564 GLU B N 1 ATOM 2463 C CA . GLU B 2 63 ? -62.649 8.394 -9.543 1.00 54.55 ? 564 GLU B CA 1 ATOM 2464 C C . GLU B 2 63 ? -62.868 9.906 -9.603 1.00 53.21 ? 564 GLU B C 1 ATOM 2465 O O . GLU B 2 63 ? -63.983 10.376 -9.384 1.00 53.42 ? 564 GLU B O 1 ATOM 2466 C CB . GLU B 2 63 ? -62.579 7.996 -8.078 1.00 56.04 ? 564 GLU B CB 1 ATOM 2467 C CG . GLU B 2 63 ? -62.753 6.512 -7.828 1.00 57.89 ? 564 GLU B CG 1 ATOM 2468 C CD . GLU B 2 63 ? -62.736 6.172 -6.350 1.00 59.84 ? 564 GLU B CD 1 ATOM 2469 O OE1 . GLU B 2 63 ? -62.811 7.112 -5.511 1.00 61.08 ? 564 GLU B OE1 1 ATOM 2470 O OE2 . GLU B 2 63 ? -62.643 4.966 -6.029 1.00 60.18 ? 564 GLU B OE2 1 ATOM 2471 N N . THR B 2 64 ? -61.800 10.660 -9.859 1.00 51.62 ? 565 THR B N 1 ATOM 2472 C CA . THR B 2 64 ? -61.868 12.118 -9.983 1.00 50.30 ? 565 THR B CA 1 ATOM 2473 C C . THR B 2 64 ? -62.573 12.551 -11.274 1.00 49.20 ? 565 THR B C 1 ATOM 2474 O O . THR B 2 64 ? -63.138 13.643 -11.340 1.00 48.93 ? 565 THR B O 1 ATOM 2475 C CB . THR B 2 64 ? -60.443 12.715 -9.909 1.00 49.74 ? 565 THR B CB 1 ATOM 2476 O OG1 . THR B 2 64 ? -59.890 12.441 -8.621 1.00 50.54 ? 565 THR B OG1 1 ATOM 2477 C CG2 . THR B 2 64 ? -60.429 14.214 -10.119 1.00 49.75 ? 565 THR B CG2 1 ATOM 2478 N N . THR B 2 65 ? -62.564 11.678 -12.276 1.00 48.34 ? 566 THR B N 1 ATOM 2479 C CA . THR B 2 65 ? -62.969 12.028 -13.625 1.00 48.21 ? 566 THR B CA 1 ATOM 2480 C C . THR B 2 65 ? -64.396 12.531 -13.754 1.00 48.64 ? 566 THR B C 1 ATOM 2481 O O . THR B 2 65 ? -64.639 13.507 -14.453 1.00 48.19 ? 566 THR B O 1 ATOM 2482 C CB . THR B 2 65 ? -62.778 10.834 -14.576 1.00 48.31 ? 566 THR B CB 1 ATOM 2483 O OG1 . THR B 2 65 ? -61.488 10.251 -14.356 1.00 47.68 ? 566 THR B OG1 1 ATOM 2484 C CG2 . THR B 2 65 ? -62.895 11.273 -16.031 1.00 48.33 ? 566 THR B CG2 1 ATOM 2485 N N . GLN B 2 66 ? -65.340 11.881 -13.092 1.00 50.12 ? 567 GLN B N 1 ATOM 2486 C CA . GLN B 2 66 ? -66.731 12.302 -13.228 1.00 52.35 ? 567 GLN B CA 1 ATOM 2487 C C . GLN B 2 66 ? -66.916 13.752 -12.762 1.00 52.00 ? 567 GLN B C 1 ATOM 2488 O O . GLN B 2 66 ? -67.456 14.584 -13.497 1.00 51.80 ? 567 GLN B O 1 ATOM 2489 C CB . GLN B 2 66 ? -67.686 11.364 -12.485 1.00 54.37 ? 567 GLN B CB 1 ATOM 2490 C CG . GLN B 2 66 ? -69.118 11.900 -12.433 1.00 56.60 ? 567 GLN B CG 1 ATOM 2491 C CD . GLN B 2 66 ? -70.149 10.865 -12.047 1.00 58.53 ? 567 GLN B CD 1 ATOM 2492 O OE1 . GLN B 2 66 ? -69.966 9.669 -12.264 1.00 60.44 ? 567 GLN B OE1 1 ATOM 2493 N NE2 . GLN B 2 66 ? -71.253 11.327 -11.481 1.00 59.74 ? 567 GLN B NE2 1 ATOM 2494 N N . ALA B 2 67 ? -66.458 14.037 -11.547 1.00 51.76 ? 568 ALA B N 1 ATOM 2495 C CA . ALA B 2 67 ? -66.554 15.378 -10.970 1.00 51.13 ? 568 ALA B CA 1 ATOM 2496 C C . ALA B 2 67 ? -65.847 16.401 -11.843 1.00 50.17 ? 568 ALA B C 1 ATOM 2497 O O . ALA B 2 67 ? -66.377 17.487 -12.088 1.00 50.66 ? 568 ALA B O 1 ATOM 2498 C CB . ALA B 2 67 ? -65.966 15.398 -9.566 1.00 51.04 ? 568 ALA B CB 1 ATOM 2499 N N . LEU B 2 68 ? -64.657 16.040 -12.315 1.00 49.04 ? 569 LEU B N 1 ATOM 2500 C CA . LEU B 2 68 ? -63.847 16.937 -13.127 1.00 48.04 ? 569 LEU B CA 1 ATOM 2501 C C . LEU B 2 68 ? -64.549 17.258 -14.444 1.00 48.15 ? 569 LEU B C 1 ATOM 2502 O O . LEU B 2 68 ? -64.632 18.420 -14.839 1.00 47.97 ? 569 LEU B O 1 ATOM 2503 C CB . LEU B 2 68 ? -62.476 16.318 -13.394 1.00 47.16 ? 569 LEU B CB 1 ATOM 2504 C CG . LEU B 2 68 ? -61.481 17.202 -14.133 1.00 46.81 ? 569 LEU B CG 1 ATOM 2505 C CD1 . LEU B 2 68 ? -61.232 18.483 -13.358 1.00 47.18 ? 569 LEU B CD1 1 ATOM 2506 C CD2 . LEU B 2 68 ? -60.179 16.460 -14.374 1.00 46.92 ? 569 LEU B CD2 1 ATOM 2507 N N . GLN B 2 69 ? -65.060 16.228 -15.112 1.00 47.97 ? 570 GLN B N 1 ATOM 2508 C CA . GLN B 2 69 ? -65.786 16.424 -16.361 1.00 48.09 ? 570 GLN B CA 1 ATOM 2509 C C . GLN B 2 69 ? -66.995 17.343 -16.170 1.00 48.49 ? 570 GLN B C 1 ATOM 2510 O O . GLN B 2 69 ? -67.197 18.270 -16.948 1.00 48.75 ? 570 GLN B O 1 ATOM 2511 C CB . GLN B 2 69 ? -66.211 15.079 -16.979 1.00 48.52 ? 570 GLN B CB 1 ATOM 2512 C CG . GLN B 2 69 ? -65.064 14.231 -17.527 1.00 48.25 ? 570 GLN B CG 1 ATOM 2513 C CD . GLN B 2 69 ? -64.466 14.764 -18.824 1.00 48.35 ? 570 GLN B CD 1 ATOM 2514 O OE1 . GLN B 2 69 ? -64.643 15.933 -19.183 1.00 47.65 ? 570 GLN B OE1 1 ATOM 2515 N NE2 . GLN B 2 69 ? -63.743 13.898 -19.536 1.00 48.68 ? 570 GLN B NE2 1 ATOM 2516 N N . LEU B 2 70 ? -67.770 17.107 -15.117 1.00 49.30 ? 571 LEU B N 1 ATOM 2517 C CA . LEU B 2 70 ? -68.954 17.927 -14.837 1.00 50.15 ? 571 LEU B CA 1 ATOM 2518 C C . LEU B 2 70 ? -68.599 19.383 -14.542 1.00 49.67 ? 571 LEU B C 1 ATOM 2519 O O . LEU B 2 70 ? -69.329 20.292 -14.936 1.00 50.32 ? 571 LEU B O 1 ATOM 2520 C CB . LEU B 2 70 ? -69.767 17.330 -13.683 1.00 51.14 ? 571 LEU B CB 1 ATOM 2521 C CG . LEU B 2 70 ? -70.396 15.973 -14.019 1.00 51.87 ? 571 LEU B CG 1 ATOM 2522 C CD1 . LEU B 2 70 ? -70.928 15.292 -12.765 1.00 52.38 ? 571 LEU B CD1 1 ATOM 2523 C CD2 . LEU B 2 70 ? -71.486 16.125 -15.073 1.00 52.10 ? 571 LEU B CD2 1 ATOM 2524 N N . PHE B 2 71 ? -67.478 19.592 -13.858 1.00 48.64 ? 572 PHE B N 1 ATOM 2525 C CA . PHE B 2 71 ? -66.941 20.929 -13.646 1.00 48.02 ? 572 PHE B CA 1 ATOM 2526 C C . PHE B 2 71 ? -66.562 21.597 -14.976 1.00 47.81 ? 572 PHE B C 1 ATOM 2527 O O . PHE B 2 71 ? -66.845 22.771 -15.181 1.00 48.85 ? 572 PHE B O 1 ATOM 2528 C CB . PHE B 2 71 ? -65.736 20.868 -12.701 1.00 47.40 ? 572 PHE B CB 1 ATOM 2529 C CG . PHE B 2 71 ? -65.031 22.175 -12.538 1.00 47.13 ? 572 PHE B CG 1 ATOM 2530 C CD1 . PHE B 2 71 ? -65.524 23.140 -11.671 1.00 47.89 ? 572 PHE B CD1 1 ATOM 2531 C CD2 . PHE B 2 71 ? -63.883 22.448 -13.258 1.00 46.70 ? 572 PHE B CD2 1 ATOM 2532 C CE1 . PHE B 2 71 ? -64.884 24.359 -11.523 1.00 47.71 ? 572 PHE B CE1 1 ATOM 2533 C CE2 . PHE B 2 71 ? -63.239 23.660 -13.119 1.00 46.89 ? 572 PHE B CE2 1 ATOM 2534 C CZ . PHE B 2 71 ? -63.738 24.620 -12.251 1.00 47.51 ? 572 PHE B CZ 1 ATOM 2535 N N . LEU B 2 72 ? -65.933 20.845 -15.871 1.00 47.34 ? 573 LEU B N 1 ATOM 2536 C CA . LEU B 2 72 ? -65.557 21.363 -17.190 1.00 47.29 ? 573 LEU B CA 1 ATOM 2537 C C . LEU B 2 72 ? -66.758 21.661 -18.115 1.00 48.53 ? 573 LEU B C 1 ATOM 2538 O O . LEU B 2 72 ? -66.736 22.626 -18.886 1.00 47.82 ? 573 LEU B O 1 ATOM 2539 C CB . LEU B 2 72 ? -64.574 20.414 -17.862 1.00 46.13 ? 573 LEU B CB 1 ATOM 2540 C CG . LEU B 2 72 ? -63.238 20.293 -17.130 1.00 45.38 ? 573 LEU B CG 1 ATOM 2541 C CD1 . LEU B 2 72 ? -62.406 19.188 -17.755 1.00 45.20 ? 573 LEU B CD1 1 ATOM 2542 C CD2 . LEU B 2 72 ? -62.480 21.616 -17.117 1.00 44.97 ? 573 LEU B CD2 1 ATOM 2543 N N . ARG B 2 73 ? -67.807 20.849 -18.022 1.00 50.03 ? 574 ARG B N 1 ATOM 2544 C CA . ARG B 2 73 ? -69.077 21.143 -18.699 1.00 51.27 ? 574 ARG B CA 1 ATOM 2545 C C . ARG B 2 73 ? -69.639 22.507 -18.281 1.00 52.58 ? 574 ARG B C 1 ATOM 2546 O O . ARG B 2 73 ? -70.145 23.268 -19.120 1.00 54.71 ? 574 ARG B O 1 ATOM 2547 C CB . ARG B 2 73 ? -70.094 20.042 -18.396 1.00 52.11 ? 574 ARG B CB 1 ATOM 2548 C CG . ARG B 2 73 ? -71.476 20.258 -18.987 1.00 53.70 ? 574 ARG B CG 1 ATOM 2549 C CD . ARG B 2 73 ? -72.402 19.124 -18.607 1.00 54.97 ? 574 ARG B CD 1 ATOM 2550 N NE . ARG B 2 73 ? -71.945 17.860 -19.174 1.00 55.86 ? 574 ARG B NE 1 ATOM 2551 C CZ . ARG B 2 73 ? -72.464 16.663 -18.894 1.00 57.05 ? 574 ARG B CZ 1 ATOM 2552 N NH1 . ARG B 2 73 ? -73.479 16.534 -18.042 1.00 57.36 ? 574 ARG B NH1 1 ATOM 2553 N NH2 . ARG B 2 73 ? -71.957 15.579 -19.479 1.00 57.58 ? 574 ARG B NH2 1 ATOM 2554 N N . ALA B 2 74 ? -69.545 22.803 -16.985 1.00 51.88 ? 575 ALA B N 1 ATOM 2555 C CA . ALA B 2 74 ? -70.139 24.002 -16.411 1.00 51.64 ? 575 ALA B CA 1 ATOM 2556 C C . ALA B 2 74 ? -69.313 25.274 -16.576 1.00 50.87 ? 575 ALA B C 1 ATOM 2557 O O . ALA B 2 74 ? -69.854 26.361 -16.411 1.00 50.90 ? 575 ALA B O 1 ATOM 2558 C CB . ALA B 2 74 ? -70.422 23.776 -14.939 1.00 52.24 ? 575 ALA B CB 1 ATOM 2559 N N . THR B 2 75 ? -68.019 25.160 -16.859 1.00 50.66 ? 576 THR B N 1 ATOM 2560 C CA . THR B 2 75 ? -67.173 26.359 -17.012 1.00 50.89 ? 576 THR B CA 1 ATOM 2561 C C . THR B 2 75 ? -67.148 26.851 -18.454 1.00 51.48 ? 576 THR B C 1 ATOM 2562 O O . THR B 2 75 ? -67.182 26.056 -19.385 1.00 51.58 ? 576 THR B O 1 ATOM 2563 C CB . THR B 2 75 ? -65.718 26.144 -16.531 1.00 50.32 ? 576 THR B CB 1 ATOM 2564 O OG1 . THR B 2 75 ? -65.029 27.394 -16.561 1.00 49.51 ? 576 THR B OG1 1 ATOM 2565 C CG2 . THR B 2 75 ? -64.942 25.151 -17.414 1.00 50.45 ? 576 THR B CG2 1 ATOM 2566 N N . THR B 2 76 ? -67.072 28.168 -18.616 1.00 52.52 ? 577 THR B N 1 ATOM 2567 C CA . THR B 2 76 ? -66.900 28.801 -19.923 1.00 52.95 ? 577 THR B CA 1 ATOM 2568 C C . THR B 2 76 ? -65.432 29.113 -20.247 1.00 53.01 ? 577 THR B C 1 ATOM 2569 O O . THR B 2 76 ? -65.127 29.473 -21.393 1.00 54.37 ? 577 THR B O 1 ATOM 2570 C CB . THR B 2 76 ? -67.718 30.099 -20.011 1.00 53.92 ? 577 THR B CB 1 ATOM 2571 O OG1 . THR B 2 76 ? -67.422 30.924 -18.881 1.00 54.31 ? 577 THR B OG1 1 ATOM 2572 C CG2 . THR B 2 76 ? -69.212 29.793 -20.026 1.00 54.67 ? 577 THR B CG2 1 ATOM 2573 N N . GLU B 2 77 ? -64.530 29.007 -19.259 1.00 51.92 ? 578 GLU B N 1 ATOM 2574 C CA . GLU B 2 77 ? -63.086 29.046 -19.536 1.00 51.22 ? 578 GLU B CA 1 ATOM 2575 C C . GLU B 2 77 ? -62.709 27.931 -20.484 1.00 49.71 ? 578 GLU B C 1 ATOM 2576 O O . GLU B 2 77 ? -63.134 26.792 -20.308 1.00 49.84 ? 578 GLU B O 1 ATOM 2577 C CB . GLU B 2 77 ? -62.240 28.882 -18.272 1.00 52.64 ? 578 GLU B CB 1 ATOM 2578 C CG . GLU B 2 77 ? -62.060 30.155 -17.480 1.00 54.32 ? 578 GLU B CG 1 ATOM 2579 C CD . GLU B 2 77 ? -60.858 30.123 -16.562 1.00 54.86 ? 578 GLU B CD 1 ATOM 2580 O OE1 . GLU B 2 77 ? -59.845 30.759 -16.912 1.00 55.08 ? 578 GLU B OE1 1 ATOM 2581 O OE2 . GLU B 2 77 ? -60.930 29.473 -15.496 1.00 56.89 ? 578 GLU B OE2 1 ATOM 2582 N N . LEU B 2 78 ? -61.893 28.260 -21.474 1.00 48.61 ? 579 LEU B N 1 ATOM 2583 C CA . LEU B 2 78 ? -61.476 27.289 -22.479 1.00 47.64 ? 579 LEU B CA 1 ATOM 2584 C C . LEU B 2 78 ? -60.378 26.397 -21.921 1.00 46.63 ? 579 LEU B C 1 ATOM 2585 O O . LEU B 2 78 ? -60.373 25.192 -22.154 1.00 46.79 ? 579 LEU B O 1 ATOM 2586 C CB . LEU B 2 78 ? -61.023 28.006 -23.757 1.00 47.51 ? 579 LEU B CB 1 ATOM 2587 C CG . LEU B 2 78 ? -62.068 28.929 -24.409 1.00 47.54 ? 579 LEU B CG 1 ATOM 2588 C CD1 . LEU B 2 78 ? -61.504 29.599 -25.655 1.00 47.29 ? 579 LEU B CD1 1 ATOM 2589 C CD2 . LEU B 2 78 ? -63.365 28.185 -24.725 1.00 47.61 ? 579 LEU B CD2 1 ATOM 2590 N N . ARG B 2 79 ? -59.458 27.006 -21.180 1.00 46.43 ? 580 ARG B N 1 ATOM 2591 C CA . ARG B 2 79 ? -58.407 26.292 -20.463 1.00 46.42 ? 580 ARG B CA 1 ATOM 2592 C C . ARG B 2 79 ? -58.500 26.654 -18.994 1.00 46.18 ? 580 ARG B C 1 ATOM 2593 O O . ARG B 2 79 ? -58.425 27.831 -18.647 1.00 46.94 ? 580 ARG B O 1 ATOM 2594 C CB . ARG B 2 79 ? -57.038 26.681 -21.002 1.00 46.14 ? 580 ARG B CB 1 ATOM 2595 C CG . ARG B 2 79 ? -56.935 26.470 -22.493 1.00 46.59 ? 580 ARG B CG 1 ATOM 2596 C CD . ARG B 2 79 ? -55.525 26.654 -23.006 1.00 46.82 ? 580 ARG B CD 1 ATOM 2597 N NE . ARG B 2 79 ? -55.540 26.720 -24.458 1.00 46.90 ? 580 ARG B NE 1 ATOM 2598 C CZ . ARG B 2 79 ? -54.466 26.832 -25.228 1.00 47.29 ? 580 ARG B CZ 1 ATOM 2599 N NH1 . ARG B 2 79 ? -53.247 26.886 -24.701 1.00 47.63 ? 580 ARG B NH1 1 ATOM 2600 N NH2 . ARG B 2 79 ? -54.620 26.886 -26.545 1.00 47.90 ? 580 ARG B NH2 1 ATOM 2601 N N . THR B 2 80 ? -58.665 25.644 -18.144 1.00 46.09 ? 581 THR B N 1 ATOM 2602 C CA . THR B 2 80 ? -58.829 25.841 -16.711 1.00 46.05 ? 581 THR B CA 1 ATOM 2603 C C . THR B 2 80 ? -57.504 25.584 -15.996 1.00 46.28 ? 581 THR B C 1 ATOM 2604 O O . THR B 2 80 ? -56.970 24.486 -16.068 1.00 47.04 ? 581 THR B O 1 ATOM 2605 C CB . THR B 2 80 ? -59.933 24.928 -16.149 1.00 45.82 ? 581 THR B CB 1 ATOM 2606 O OG1 . THR B 2 80 ? -61.192 25.301 -16.718 1.00 45.41 ? 581 THR B OG1 1 ATOM 2607 C CG2 . THR B 2 80 ? -60.038 25.069 -14.650 1.00 46.40 ? 581 THR B CG2 1 ATOM 2608 N N . PHE B 2 81 ? -56.999 26.616 -15.313 1.00 46.93 ? 582 PHE B N 1 ATOM 2609 C CA . PHE B 2 81 ? -55.754 26.573 -14.534 1.00 46.29 ? 582 PHE B CA 1 ATOM 2610 C C . PHE B 2 81 ? -55.939 26.820 -13.037 1.00 46.59 ? 582 PHE B C 1 ATOM 2611 O O . PHE B 2 81 ? -54.959 26.812 -12.306 1.00 47.49 ? 582 PHE B O 1 ATOM 2612 C CB . PHE B 2 81 ? -54.792 27.638 -15.058 1.00 45.73 ? 582 PHE B CB 1 ATOM 2613 C CG . PHE B 2 81 ? -54.194 27.305 -16.377 1.00 45.26 ? 582 PHE B CG 1 ATOM 2614 C CD1 . PHE B 2 81 ? -52.990 26.609 -16.446 1.00 44.93 ? 582 PHE B CD1 1 ATOM 2615 C CD2 . PHE B 2 81 ? -54.820 27.688 -17.552 1.00 45.29 ? 582 PHE B CD2 1 ATOM 2616 C CE1 . PHE B 2 81 ? -52.419 26.297 -17.664 1.00 44.69 ? 582 PHE B CE1 1 ATOM 2617 C CE2 . PHE B 2 81 ? -54.253 27.374 -18.781 1.00 45.55 ? 582 PHE B CE2 1 ATOM 2618 C CZ . PHE B 2 81 ? -53.047 26.677 -18.835 1.00 44.98 ? 582 PHE B CZ 1 ATOM 2619 N N . SER B 2 82 ? -57.175 27.012 -12.581 1.00 46.71 ? 583 SER B N 1 ATOM 2620 C CA . SER B 2 82 ? -57.446 27.580 -11.259 1.00 47.18 ? 583 SER B CA 1 ATOM 2621 C C . SER B 2 82 ? -57.959 26.578 -10.219 1.00 46.97 ? 583 SER B C 1 ATOM 2622 O O . SER B 2 82 ? -58.340 26.976 -9.117 1.00 47.30 ? 583 SER B O 1 ATOM 2623 C CB . SER B 2 82 ? -58.457 28.724 -11.412 1.00 48.20 ? 583 SER B CB 1 ATOM 2624 O OG . SER B 2 82 ? -59.660 28.259 -12.022 1.00 49.10 ? 583 SER B OG 1 ATOM 2625 N N . ILE B 2 83 ? -57.943 25.287 -10.534 1.00 46.81 ? 584 ILE B N 1 ATOM 2626 C CA . ILE B 2 83 ? -58.546 24.289 -9.646 1.00 46.81 ? 584 ILE B CA 1 ATOM 2627 C C . ILE B 2 83 ? -57.807 24.208 -8.308 1.00 47.72 ? 584 ILE B C 1 ATOM 2628 O O . ILE B 2 83 ? -58.451 24.256 -7.253 1.00 48.85 ? 584 ILE B O 1 ATOM 2629 C CB . ILE B 2 83 ? -58.683 22.901 -10.326 1.00 46.09 ? 584 ILE B CB 1 ATOM 2630 C CG1 . ILE B 2 83 ? -59.813 22.943 -11.356 1.00 45.90 ? 584 ILE B CG1 1 ATOM 2631 C CG2 . ILE B 2 83 ? -58.980 21.794 -9.320 1.00 46.44 ? 584 ILE B CG2 1 ATOM 2632 C CD1 . ILE B 2 83 ? -59.771 21.796 -12.343 1.00 46.01 ? 584 ILE B CD1 1 ATOM 2633 N N . LEU B 2 84 ? -56.479 24.113 -8.337 1.00 48.32 ? 585 LEU B N 1 ATOM 2634 C CA . LEU B 2 84 ? -55.708 24.004 -7.088 1.00 48.54 ? 585 LEU B CA 1 ATOM 2635 C C . LEU B 2 84 ? -55.711 25.293 -6.273 1.00 49.19 ? 585 LEU B C 1 ATOM 2636 O O . LEU B 2 84 ? -55.832 25.232 -5.057 1.00 49.88 ? 585 LEU B O 1 ATOM 2637 C CB . LEU B 2 84 ? -54.281 23.506 -7.343 1.00 48.24 ? 585 LEU B CB 1 ATOM 2638 C CG . LEU B 2 84 ? -54.200 22.070 -7.888 1.00 48.47 ? 585 LEU B CG 1 ATOM 2639 C CD1 . LEU B 2 84 ? -52.752 21.698 -8.181 1.00 48.35 ? 585 LEU B CD1 1 ATOM 2640 C CD2 . LEU B 2 84 ? -54.844 21.052 -6.950 1.00 48.45 ? 585 LEU B CD2 1 ATOM 2641 N N . ASN B 2 85 ? -55.608 26.452 -6.923 1.00 50.26 ? 586 ASN B N 1 ATOM 2642 C CA . ASN B 2 85 ? -55.737 27.735 -6.206 1.00 51.41 ? 586 ASN B CA 1 ATOM 2643 C C . ASN B 2 85 ? -57.101 27.878 -5.527 1.00 51.80 ? 586 ASN B C 1 ATOM 2644 O O . ASN B 2 85 ? -57.187 28.370 -4.401 1.00 50.69 ? 586 ASN B O 1 ATOM 2645 C CB . ASN B 2 85 ? -55.478 28.933 -7.131 1.00 52.11 ? 586 ASN B CB 1 ATOM 2646 C CG . ASN B 2 85 ? -53.990 29.220 -7.334 1.00 53.91 ? 586 ASN B CG 1 ATOM 2647 O OD1 . ASN B 2 85 ? -53.109 28.612 -6.692 1.00 53.90 ? 586 ASN B OD1 1 ATOM 2648 N ND2 . ASN B 2 85 ? -53.698 30.166 -8.238 1.00 54.38 ? 586 ASN B ND2 1 ATOM 2649 N N . ARG B 2 86 ? -58.156 27.434 -6.204 1.00 52.63 ? 587 ARG B N 1 ATOM 2650 C CA . ARG B 2 86 ? -59.492 27.468 -5.626 1.00 53.76 ? 587 ARG B CA 1 ATOM 2651 C C . ARG B 2 86 ? -59.626 26.490 -4.449 1.00 52.18 ? 587 ARG B C 1 ATOM 2652 O O . ARG B 2 86 ? -60.335 26.784 -3.496 1.00 51.42 ? 587 ARG B O 1 ATOM 2653 C CB . ARG B 2 86 ? -60.565 27.201 -6.680 1.00 56.40 ? 587 ARG B CB 1 ATOM 2654 C CG . ARG B 2 86 ? -61.938 27.708 -6.263 1.00 60.53 ? 587 ARG B CG 1 ATOM 2655 C CD . ARG B 2 86 ? -63.066 26.954 -6.941 1.00 64.20 ? 587 ARG B CD 1 ATOM 2656 N NE . ARG B 2 86 ? -64.376 27.288 -6.380 1.00 68.78 ? 587 ARG B NE 1 ATOM 2657 C CZ . ARG B 2 86 ? -65.546 26.838 -6.850 1.00 73.27 ? 587 ARG B CZ 1 ATOM 2658 N NH1 . ARG B 2 86 ? -65.597 26.019 -7.904 1.00 74.77 ? 587 ARG B NH1 1 ATOM 2659 N NH2 . ARG B 2 86 ? -66.686 27.207 -6.260 1.00 74.55 ? 587 ARG B NH2 1 ATOM 2660 N N . LYS B 2 87 ? -58.953 25.340 -4.510 1.00 51.06 ? 588 LYS B N 1 ATOM 2661 C CA . LYS B 2 87 ? -58.877 24.441 -3.351 1.00 50.97 ? 588 LYS B CA 1 ATOM 2662 C C . LYS B 2 87 ? -58.168 25.128 -2.175 1.00 50.23 ? 588 LYS B C 1 ATOM 2663 O O . LYS B 2 87 ? -58.617 25.021 -1.040 1.00 49.60 ? 588 LYS B O 1 ATOM 2664 C CB . LYS B 2 87 ? -58.147 23.136 -3.682 1.00 50.98 ? 588 LYS B CB 1 ATOM 2665 C CG . LYS B 2 87 ? -58.880 22.216 -4.630 1.00 51.83 ? 588 LYS B CG 1 ATOM 2666 C CD . LYS B 2 87 ? -60.047 21.499 -3.981 1.00 53.04 ? 588 LYS B CD 1 ATOM 2667 C CE . LYS B 2 87 ? -60.602 20.440 -4.927 1.00 53.82 ? 588 LYS B CE 1 ATOM 2668 N NZ . LYS B 2 87 ? -62.050 20.198 -4.666 1.00 55.53 ? 588 LYS B NZ 1 ATOM 2669 N N . ALA B 2 88 ? -57.071 25.832 -2.461 1.00 49.10 ? 589 ALA B N 1 ATOM 2670 C CA . ALA B 2 88 ? -56.330 26.583 -1.440 1.00 48.64 ? 589 ALA B CA 1 ATOM 2671 C C . ALA B 2 88 ? -57.216 27.603 -0.738 1.00 48.51 ? 589 ALA B C 1 ATOM 2672 O O . ALA B 2 88 ? -57.226 27.676 0.480 1.00 48.56 ? 589 ALA B O 1 ATOM 2673 C CB . ALA B 2 88 ? -55.113 27.271 -2.046 1.00 48.31 ? 589 ALA B CB 1 ATOM 2674 N N . ILE B 2 89 ? -57.980 28.365 -1.514 1.00 48.78 ? 590 ILE B N 1 ATOM 2675 C CA . ILE B 2 89 ? -58.910 29.350 -0.956 1.00 48.98 ? 590 ILE B CA 1 ATOM 2676 C C . ILE B 2 89 ? -59.980 28.671 -0.083 1.00 49.84 ? 590 ILE B C 1 ATOM 2677 O O . ILE B 2 89 ? -60.242 29.112 1.043 1.00 50.23 ? 590 ILE B O 1 ATOM 2678 C CB . ILE B 2 89 ? -59.571 30.196 -2.064 1.00 48.74 ? 590 ILE B CB 1 ATOM 2679 C CG1 . ILE B 2 89 ? -58.522 31.083 -2.748 1.00 48.63 ? 590 ILE B CG1 1 ATOM 2680 C CG2 . ILE B 2 89 ? -60.693 31.068 -1.494 1.00 49.64 ? 590 ILE B CG2 1 ATOM 2681 C CD1 . ILE B 2 89 ? -58.927 31.565 -4.129 1.00 48.71 ? 590 ILE B CD1 1 ATOM 2682 N N . ASP B 2 90 ? -60.583 27.602 -0.601 1.00 49.93 ? 591 ASP B N 1 ATOM 2683 C CA . ASP B 2 90 ? -61.618 26.867 0.137 1.00 50.61 ? 591 ASP B CA 1 ATOM 2684 C C . ASP B 2 90 ? -61.106 26.189 1.417 1.00 50.57 ? 591 ASP B C 1 ATOM 2685 O O . ASP B 2 90 ? -61.869 26.021 2.366 1.00 51.21 ? 591 ASP B O 1 ATOM 2686 C CB . ASP B 2 90 ? -62.305 25.834 -0.765 1.00 50.85 ? 591 ASP B CB 1 ATOM 2687 C CG . ASP B 2 90 ? -63.285 26.456 -1.744 1.00 51.00 ? 591 ASP B CG 1 ATOM 2688 O OD1 . ASP B 2 90 ? -63.770 27.584 -1.517 1.00 51.23 ? 591 ASP B OD1 1 ATOM 2689 O OD2 . ASP B 2 90 ? -63.587 25.789 -2.752 1.00 52.53 ? 591 ASP B OD2 1 ATOM 2690 N N . PHE B 2 91 ? -59.832 25.795 1.430 1.00 49.86 ? 592 PHE B N 1 ATOM 2691 C CA . PHE B 2 91 ? -59.170 25.316 2.644 1.00 49.90 ? 592 PHE B CA 1 ATOM 2692 C C . PHE B 2 91 ? -59.201 26.425 3.695 1.00 49.66 ? 592 PHE B C 1 ATOM 2693 O O . PHE B 2 91 ? -59.685 26.226 4.803 1.00 49.38 ? 592 PHE B O 1 ATOM 2694 C CB . PHE B 2 91 ? -57.729 24.877 2.330 1.00 49.85 ? 592 PHE B CB 1 ATOM 2695 C CG . PHE B 2 91 ? -56.953 24.411 3.530 1.00 51.27 ? 592 PHE B CG 1 ATOM 2696 C CD1 . PHE B 2 91 ? -56.906 23.062 3.866 1.00 52.16 ? 592 PHE B CD1 1 ATOM 2697 C CD2 . PHE B 2 91 ? -56.262 25.323 4.329 1.00 51.47 ? 592 PHE B CD2 1 ATOM 2698 C CE1 . PHE B 2 91 ? -56.194 22.635 4.980 1.00 52.20 ? 592 PHE B CE1 1 ATOM 2699 C CE2 . PHE B 2 91 ? -55.556 24.900 5.443 1.00 51.55 ? 592 PHE B CE2 1 ATOM 2700 C CZ . PHE B 2 91 ? -55.518 23.555 5.765 1.00 51.97 ? 592 PHE B CZ 1 ATOM 2701 N N . LEU B 2 92 ? -58.710 27.598 3.315 1.00 49.19 ? 593 LEU B N 1 ATOM 2702 C CA . LEU B 2 92 ? -58.683 28.746 4.203 1.00 49.42 ? 593 LEU B CA 1 ATOM 2703 C C . LEU B 2 92 ? -60.071 29.188 4.648 1.00 50.94 ? 593 LEU B C 1 ATOM 2704 O O . LEU B 2 92 ? -60.256 29.528 5.812 1.00 51.49 ? 593 LEU B O 1 ATOM 2705 C CB . LEU B 2 92 ? -57.939 29.913 3.548 1.00 48.51 ? 593 LEU B CB 1 ATOM 2706 C CG . LEU B 2 92 ? -56.430 29.694 3.407 1.00 47.80 ? 593 LEU B CG 1 ATOM 2707 C CD1 . LEU B 2 92 ? -55.819 30.711 2.459 1.00 47.05 ? 593 LEU B CD1 1 ATOM 2708 C CD2 . LEU B 2 92 ? -55.747 29.748 4.772 1.00 48.27 ? 593 LEU B CD2 1 ATOM 2709 N N . LEU B 2 93 ? -61.045 29.182 3.736 1.00 52.59 ? 594 LEU B N 1 ATOM 2710 C CA . LEU B 2 93 ? -62.409 29.610 4.089 1.00 53.61 ? 594 LEU B CA 1 ATOM 2711 C C . LEU B 2 93 ? -63.094 28.649 5.057 1.00 55.32 ? 594 LEU B C 1 ATOM 2712 O O . LEU B 2 93 ? -63.872 29.083 5.893 1.00 55.60 ? 594 LEU B O 1 ATOM 2713 C CB . LEU B 2 93 ? -63.285 29.820 2.848 1.00 52.67 ? 594 LEU B CB 1 ATOM 2714 C CG . LEU B 2 93 ? -62.993 31.043 1.984 1.00 52.16 ? 594 LEU B CG 1 ATOM 2715 C CD1 . LEU B 2 93 ? -63.973 31.072 0.823 1.00 52.67 ? 594 LEU B CD1 1 ATOM 2716 C CD2 . LEU B 2 93 ? -63.046 32.350 2.757 1.00 52.10 ? 594 LEU B CD2 1 ATOM 2717 N N . GLN B 2 94 ? -62.809 27.356 4.940 1.00 57.86 ? 595 GLN B N 1 ATOM 2718 C CA . GLN B 2 94 ? -63.355 26.373 5.875 1.00 61.00 ? 595 GLN B CA 1 ATOM 2719 C C . GLN B 2 94 ? -62.925 26.630 7.303 1.00 61.21 ? 595 GLN B C 1 ATOM 2720 O O . GLN B 2 94 ? -63.748 26.607 8.219 1.00 62.16 ? 595 GLN B O 1 ATOM 2721 C CB . GLN B 2 94 ? -62.955 24.951 5.485 1.00 63.25 ? 595 GLN B CB 1 ATOM 2722 C CG . GLN B 2 94 ? -64.010 24.275 4.647 1.00 67.02 ? 595 GLN B CG 1 ATOM 2723 C CD . GLN B 2 94 ? -65.329 24.110 5.395 1.00 71.34 ? 595 GLN B CD 1 ATOM 2724 O OE1 . GLN B 2 94 ? -65.349 23.902 6.618 1.00 73.04 ? 595 GLN B OE1 1 ATOM 2725 N NE2 . GLN B 2 94 ? -66.446 24.236 4.665 1.00 73.11 ? 595 GLN B NE2 1 ATOM 2726 N N . ARG B 2 95 ? -61.632 26.875 7.474 1.00 60.19 ? 596 ARG B N 1 ATOM 2727 C CA . ARG B 2 95 ? -61.063 27.114 8.783 1.00 59.97 ? 596 ARG B CA 1 ATOM 2728 C C . ARG B 2 95 ? -61.355 28.513 9.277 1.00 58.51 ? 596 ARG B C 1 ATOM 2729 O O . ARG B 2 95 ? -61.768 28.674 10.412 1.00 59.66 ? 596 ARG B O 1 ATOM 2730 C CB . ARG B 2 95 ? -59.561 26.851 8.767 1.00 60.91 ? 596 ARG B CB 1 ATOM 2731 C CG . ARG B 2 95 ? -59.224 25.375 8.690 1.00 63.03 ? 596 ARG B CG 1 ATOM 2732 C CD . ARG B 2 95 ? -57.731 25.161 8.484 1.00 65.33 ? 596 ARG B CD 1 ATOM 2733 N NE . ARG B 2 95 ? -57.287 23.816 8.858 1.00 68.15 ? 596 ARG B NE 1 ATOM 2734 C CZ . ARG B 2 95 ? -57.581 22.693 8.198 1.00 71.72 ? 596 ARG B CZ 1 ATOM 2735 N NH1 . ARG B 2 95 ? -58.349 22.703 7.100 1.00 73.40 ? 596 ARG B NH1 1 ATOM 2736 N NH2 . ARG B 2 95 ? -57.100 21.535 8.637 1.00 73.17 ? 596 ARG B NH2 1 ATOM 2737 N N . TRP B 2 96 ? -61.163 29.514 8.421 1.00 56.95 ? 597 TRP B N 1 ATOM 2738 C CA . TRP B 2 96 ? -61.120 30.915 8.856 1.00 56.43 ? 597 TRP B CA 1 ATOM 2739 C C . TRP B 2 96 ? -62.228 31.811 8.311 1.00 56.37 ? 597 TRP B C 1 ATOM 2740 O O . TRP B 2 96 ? -62.180 33.025 8.495 1.00 55.28 ? 597 TRP B O 1 ATOM 2741 C CB . TRP B 2 96 ? -59.755 31.485 8.506 1.00 56.01 ? 597 TRP B CB 1 ATOM 2742 C CG . TRP B 2 96 ? -58.664 30.604 8.979 1.00 56.77 ? 597 TRP B CG 1 ATOM 2743 C CD1 . TRP B 2 96 ? -57.908 29.769 8.224 1.00 56.70 ? 597 TRP B CD1 1 ATOM 2744 C CD2 . TRP B 2 96 ? -58.232 30.429 10.332 1.00 58.02 ? 597 TRP B CD2 1 ATOM 2745 N NE1 . TRP B 2 96 ? -57.011 29.090 9.015 1.00 57.62 ? 597 TRP B NE1 1 ATOM 2746 C CE2 . TRP B 2 96 ? -57.187 29.478 10.316 1.00 58.26 ? 597 TRP B CE2 1 ATOM 2747 C CE3 . TRP B 2 96 ? -58.616 30.993 11.556 1.00 59.09 ? 597 TRP B CE3 1 ATOM 2748 C CZ2 . TRP B 2 96 ? -56.516 29.072 11.480 1.00 58.72 ? 597 TRP B CZ2 1 ATOM 2749 C CZ3 . TRP B 2 96 ? -57.946 30.591 12.720 1.00 60.03 ? 597 TRP B CZ3 1 ATOM 2750 C CH2 . TRP B 2 96 ? -56.908 29.635 12.667 1.00 59.29 ? 597 TRP B CH2 1 ATOM 2751 N N . GLY B 2 97 ? -63.243 31.215 7.693 1.00 58.12 ? 598 GLY B N 1 ATOM 2752 C CA . GLY B 2 97 ? -64.321 31.970 7.055 1.00 60.39 ? 598 GLY B CA 1 ATOM 2753 C C . GLY B 2 97 ? -65.343 32.598 7.984 1.00 63.36 ? 598 GLY B C 1 ATOM 2754 O O . GLY B 2 97 ? -66.068 33.506 7.583 1.00 63.10 ? 598 GLY B O 1 ATOM 2755 N N . GLY B 2 98 ? -65.429 32.093 9.212 1.00 67.28 ? 599 GLY B N 1 ATOM 2756 C CA . GLY B 2 98 ? -66.318 32.650 10.229 1.00 69.96 ? 599 GLY B CA 1 ATOM 2757 C C . GLY B 2 98 ? -65.522 33.166 11.407 1.00 71.86 ? 599 GLY B C 1 ATOM 2758 O O . GLY B 2 98 ? -64.322 33.450 11.291 1.00 71.78 ? 599 GLY B O 1 ATOM 2759 N N . THR B 2 99 ? -66.214 33.306 12.534 1.00 74.32 ? 600 THR B N 1 ATOM 2760 C CA . THR B 2 99 ? -65.579 33.569 13.816 1.00 75.49 ? 600 THR B CA 1 ATOM 2761 C C . THR B 2 99 ? -65.024 32.244 14.335 1.00 75.88 ? 600 THR B C 1 ATOM 2762 O O . THR B 2 99 ? -65.701 31.214 14.276 1.00 75.62 ? 600 THR B O 1 ATOM 2763 C CB . THR B 2 99 ? -66.578 34.168 14.832 1.00 77.14 ? 600 THR B CB 1 ATOM 2764 O OG1 . THR B 2 99 ? -67.026 35.443 14.359 1.00 77.44 ? 600 THR B OG1 1 ATOM 2765 C CG2 . THR B 2 99 ? -65.939 34.355 16.212 1.00 77.89 ? 600 THR B CG2 1 ATOM 2766 N N . CYS B 2 100 ? -63.792 32.287 14.835 1.00 76.90 ? 601 CYS B N 1 ATOM 2767 C CA . CYS B 2 100 ? -63.126 31.115 15.389 1.00 79.26 ? 601 CYS B CA 1 ATOM 2768 C C . CYS B 2 100 ? -63.475 31.010 16.884 1.00 80.92 ? 601 CYS B C 1 ATOM 2769 O O . CYS B 2 100 ? -62.939 31.761 17.699 1.00 79.91 ? 601 CYS B O 1 ATOM 2770 C CB . CYS B 2 100 ? -61.606 31.227 15.166 1.00 79.04 ? 601 CYS B CB 1 ATOM 2771 S SG . CYS B 2 100 ? -60.764 29.664 14.834 1.00 81.55 ? 601 CYS B SG 1 ATOM 2772 N N . HIS B 2 101 ? -64.394 30.104 17.231 1.00 83.34 ? 602 HIS B N 1 ATOM 2773 C CA . HIS B 2 101 ? -64.765 29.850 18.638 1.00 86.03 ? 602 HIS B CA 1 ATOM 2774 C C . HIS B 2 101 ? -63.725 28.934 19.295 1.00 85.01 ? 602 HIS B C 1 ATOM 2775 O O . HIS B 2 101 ? -63.670 27.741 18.983 1.00 84.34 ? 602 HIS B O 1 ATOM 2776 C CB . HIS B 2 101 ? -66.157 29.199 18.734 1.00 88.88 ? 602 HIS B CB 1 ATOM 2777 C CG . HIS B 2 101 ? -67.284 30.096 18.319 1.00 92.39 ? 602 HIS B CG 1 ATOM 2778 N ND1 . HIS B 2 101 ? -67.746 30.165 17.020 1.00 94.32 ? 602 HIS B ND1 1 ATOM 2779 C CD2 . HIS B 2 101 ? -68.051 30.953 19.035 1.00 94.17 ? 602 HIS B CD2 1 ATOM 2780 C CE1 . HIS B 2 101 ? -68.742 31.032 16.953 1.00 94.63 ? 602 HIS B CE1 1 ATOM 2781 N NE2 . HIS B 2 101 ? -68.948 31.523 18.162 1.00 95.16 ? 602 HIS B NE2 1 ATOM 2782 N N . ILE B 2 102 ? -62.919 29.474 20.211 1.00 84.85 ? 603 ILE B N 1 ATOM 2783 C CA . ILE B 2 102 ? -61.785 28.715 20.771 1.00 86.92 ? 603 ILE B CA 1 ATOM 2784 C C . ILE B 2 102 ? -62.285 27.484 21.551 1.00 90.92 ? 603 ILE B C 1 ATOM 2785 O O . ILE B 2 102 ? -63.321 27.535 22.223 1.00 92.16 ? 603 ILE B O 1 ATOM 2786 C CB . ILE B 2 102 ? -60.837 29.582 21.645 1.00 86.04 ? 603 ILE B CB 1 ATOM 2787 C CG1 . ILE B 2 102 ? -60.271 30.757 20.837 1.00 85.25 ? 603 ILE B CG1 1 ATOM 2788 C CG2 . ILE B 2 102 ? -59.673 28.742 22.174 1.00 86.19 ? 603 ILE B CG2 1 ATOM 2789 C CD1 . ILE B 2 102 ? -59.336 31.668 21.607 1.00 85.29 ? 603 ILE B CD1 1 ATOM 2790 N N . LEU B 2 103 ? -61.546 26.379 21.412 1.00 93.24 ? 604 LEU B N 1 ATOM 2791 C CA . LEU B 2 103 ? -61.912 25.046 21.924 1.00 96.17 ? 604 LEU B CA 1 ATOM 2792 C C . LEU B 2 103 ? -63.115 24.358 21.238 1.00 97.49 ? 604 LEU B C 1 ATOM 2793 O O . LEU B 2 103 ? -63.445 23.225 21.591 1.00 99.07 ? 604 LEU B O 1 ATOM 2794 C CB . LEU B 2 103 ? -62.051 25.031 23.467 1.00 99.39 ? 604 LEU B CB 1 ATOM 2795 C CG . LEU B 2 103 ? -60.874 24.429 24.254 1.00 100.12 ? 604 LEU B CG 1 ATOM 2796 C CD1 . LEU B 2 103 ? -60.663 22.949 23.928 1.00 100.18 ? 604 LEU B CD1 1 ATOM 2797 C CD2 . LEU B 2 103 ? -59.601 25.228 24.013 1.00 99.31 ? 604 LEU B CD2 1 ATOM 2798 N N . GLY B 2 104 ? -63.738 25.003 20.248 1.00 98.02 ? 605 GLY B N 1 ATOM 2799 C CA . GLY B 2 104 ? -64.757 24.352 19.422 1.00 98.01 ? 605 GLY B CA 1 ATOM 2800 C C . GLY B 2 104 ? -64.116 23.416 18.404 1.00 97.81 ? 605 GLY B C 1 ATOM 2801 O O . GLY B 2 104 ? -62.912 23.514 18.138 1.00 96.03 ? 605 GLY B O 1 ATOM 2802 N N . PRO B 2 105 ? -64.916 22.507 17.815 1.00 98.48 ? 606 PRO B N 1 ATOM 2803 C CA . PRO B 2 105 ? -64.375 21.521 16.879 1.00 97.65 ? 606 PRO B CA 1 ATOM 2804 C C . PRO B 2 105 ? -63.988 22.083 15.500 1.00 96.28 ? 606 PRO B C 1 ATOM 2805 O O . PRO B 2 105 ? -63.226 21.430 14.787 1.00 94.89 ? 606 PRO B O 1 ATOM 2806 C CB . PRO B 2 105 ? -65.521 20.513 16.746 1.00 98.66 ? 606 PRO B CB 1 ATOM 2807 C CG . PRO B 2 105 ? -66.749 21.335 16.926 1.00 99.37 ? 606 PRO B CG 1 ATOM 2808 C CD . PRO B 2 105 ? -66.388 22.427 17.900 1.00 99.39 ? 606 PRO B CD 1 ATOM 2809 N N . ASP B 2 106 ? -64.502 23.264 15.134 1.00 95.86 ? 607 ASP B N 1 ATOM 2810 C CA . ASP B 2 106 ? -64.238 23.876 13.821 1.00 94.60 ? 607 ASP B CA 1 ATOM 2811 C C . ASP B 2 106 ? -63.318 25.108 13.885 1.00 90.98 ? 607 ASP B C 1 ATOM 2812 O O . ASP B 2 106 ? -63.390 25.983 13.013 1.00 90.57 ? 607 ASP B O 1 ATOM 2813 C CB . ASP B 2 106 ? -65.571 24.246 13.152 1.00 97.03 ? 607 ASP B CB 1 ATOM 2814 C CG . ASP B 2 106 ? -66.420 23.029 12.830 1.00 99.38 ? 607 ASP B CG 1 ATOM 2815 O OD1 . ASP B 2 106 ? -65.976 22.190 12.017 1.00 99.86 ? 607 ASP B OD1 1 ATOM 2816 O OD2 . ASP B 2 106 ? -67.533 22.914 13.384 1.00 102.39 ? 607 ASP B OD2 1 ATOM 2817 N N . CYS B 2 107 ? -62.448 25.164 14.896 1.00 87.38 ? 608 CYS B N 1 ATOM 2818 C CA . CYS B 2 107 ? -61.503 26.274 15.069 1.00 84.11 ? 608 CYS B CA 1 ATOM 2819 C C . CYS B 2 107 ? -60.126 25.711 15.404 1.00 83.45 ? 608 CYS B C 1 ATOM 2820 O O . CYS B 2 107 ? -59.972 25.013 16.399 1.00 85.76 ? 608 CYS B O 1 ATOM 2821 C CB . CYS B 2 107 ? -61.987 27.216 16.176 1.00 83.05 ? 608 CYS B CB 1 ATOM 2822 S SG . CYS B 2 107 ? -60.883 28.599 16.571 1.00 80.95 ? 608 CYS B SG 1 ATOM 2823 N N . CYS B 2 108 ? -59.129 26.032 14.580 1.00 82.53 ? 609 CYS B N 1 ATOM 2824 C CA . CYS B 2 108 ? -57.784 25.457 14.686 1.00 81.11 ? 609 CYS B CA 1 ATOM 2825 C C . CYS B 2 108 ? -56.832 26.391 15.417 1.00 81.87 ? 609 CYS B C 1 ATOM 2826 O O . CYS B 2 108 ? -55.786 26.772 14.888 1.00 81.56 ? 609 CYS B O 1 ATOM 2827 C CB . CYS B 2 108 ? -57.241 25.145 13.287 1.00 79.33 ? 609 CYS B CB 1 ATOM 2828 S SG . CYS B 2 108 ? -58.369 24.171 12.273 1.00 78.37 ? 609 CYS B SG 1 ATOM 2829 N N . ILE B 2 109 ? -57.205 26.760 16.638 1.00 84.30 ? 610 ILE B N 1 ATOM 2830 C CA . ILE B 2 109 ? -56.360 27.572 17.506 1.00 86.36 ? 610 ILE B CA 1 ATOM 2831 C C . ILE B 2 109 ? -56.089 26.740 18.753 1.00 88.93 ? 610 ILE B C 1 ATOM 2832 O O . ILE B 2 109 ? -57.024 26.402 19.472 1.00 89.81 ? 610 ILE B O 1 ATOM 2833 C CB . ILE B 2 109 ? -57.038 28.908 17.880 1.00 86.12 ? 610 ILE B CB 1 ATOM 2834 C CG1 . ILE B 2 109 ? -57.234 29.773 16.628 1.00 84.86 ? 610 ILE B CG1 1 ATOM 2835 C CG2 . ILE B 2 109 ? -56.203 29.660 18.912 1.00 86.70 ? 610 ILE B CG2 1 ATOM 2836 C CD1 . ILE B 2 109 ? -58.078 31.011 16.847 1.00 85.20 ? 610 ILE B CD1 1 ATOM 2837 N N . GLU B 2 110 ? -54.817 26.409 18.986 1.00 98.85 ? 611 GLU B N 1 ATOM 2838 C CA . GLU B 2 110 ? -54.375 25.644 20.162 1.00 100.71 ? 611 GLU B CA 1 ATOM 2839 C C . GLU B 2 110 ? -53.926 26.606 21.283 1.00 101.59 ? 611 GLU B C 1 ATOM 2840 O O . GLU B 2 110 ? -52.964 27.354 21.089 1.00 98.53 ? 611 GLU B O 1 ATOM 2841 C CB . GLU B 2 110 ? -53.227 24.699 19.764 1.00 101.37 ? 611 GLU B CB 1 ATOM 2842 C CG . GLU B 2 110 ? -52.668 23.810 20.873 1.00 102.25 ? 611 GLU B CG 1 ATOM 2843 C CD . GLU B 2 110 ? -53.720 22.932 21.533 1.00 102.73 ? 611 GLU B CD 1 ATOM 2844 O OE1 . GLU B 2 110 ? -54.186 23.287 22.637 1.00 101.92 ? 611 GLU B OE1 1 ATOM 2845 O OE2 . GLU B 2 110 ? -54.089 21.893 20.948 1.00 104.59 ? 611 GLU B OE2 1 ATOM 2846 N N . PRO B 2 111 ? -54.623 26.600 22.448 1.00 105.86 ? 612 PRO B N 1 ATOM 2847 C CA . PRO B 2 111 ? -54.132 27.371 23.601 1.00 109.57 ? 612 PRO B CA 1 ATOM 2848 C C . PRO B 2 111 ? -53.167 26.636 24.560 1.00 114.96 ? 612 PRO B C 1 ATOM 2849 O O . PRO B 2 111 ? -52.762 27.234 25.549 1.00 115.89 ? 612 PRO B O 1 ATOM 2850 C CB . PRO B 2 111 ? -55.429 27.759 24.345 1.00 108.08 ? 612 PRO B CB 1 ATOM 2851 C CG . PRO B 2 111 ? -56.565 27.157 23.574 1.00 106.54 ? 612 PRO B CG 1 ATOM 2852 C CD . PRO B 2 111 ? -55.975 26.083 22.720 1.00 105.76 ? 612 PRO B CD 1 ATOM 2853 N N . HIS B 2 112 ? -52.830 25.369 24.277 1.00 122.61 ? 613 HIS B N 1 ATOM 2854 C CA . HIS B 2 112 ? -51.879 24.526 25.065 1.00 128.24 ? 613 HIS B CA 1 ATOM 2855 C C . HIS B 2 112 ? -50.779 25.264 25.858 1.00 129.86 ? 613 HIS B C 1 ATOM 2856 O O . HIS B 2 112 ? -50.662 25.067 27.068 1.00 133.50 ? 613 HIS B O 1 ATOM 2857 C CB . HIS B 2 112 ? -51.244 23.459 24.137 1.00 132.00 ? 613 HIS B CB 1 ATOM 2858 C CG . HIS B 2 112 ? -50.271 22.533 24.811 1.00 134.84 ? 613 HIS B CG 1 ATOM 2859 N ND1 . HIS B 2 112 ? -50.645 21.632 25.786 1.00 136.27 ? 613 HIS B ND1 1 ATOM 2860 C CD2 . HIS B 2 112 ? -48.944 22.341 24.614 1.00 135.56 ? 613 HIS B CD2 1 ATOM 2861 C CE1 . HIS B 2 112 ? -49.588 20.944 26.178 1.00 135.57 ? 613 HIS B CE1 1 ATOM 2862 N NE2 . HIS B 2 112 ? -48.543 21.353 25.482 1.00 135.84 ? 613 HIS B NE2 1 ATOM 2863 N N . ASP B 2 113 ? -49.982 26.093 25.183 1.00 131.91 ? 614 ASP B N 1 ATOM 2864 C CA . ASP B 2 113 ? -48.944 26.897 25.856 1.00 132.58 ? 614 ASP B CA 1 ATOM 2865 C C . ASP B 2 113 ? -49.543 28.071 26.634 1.00 134.98 ? 614 ASP B C 1 ATOM 2866 O O . ASP B 2 113 ? -49.029 28.427 27.692 1.00 137.14 ? 614 ASP B O 1 ATOM 2867 C CB . ASP B 2 113 ? -47.885 27.411 24.864 1.00 132.06 ? 614 ASP B CB 1 ATOM 2868 C CG . ASP B 2 113 ? -46.945 26.311 24.366 1.00 131.34 ? 614 ASP B CG 1 ATOM 2869 O OD1 . ASP B 2 113 ? -46.653 25.355 25.119 1.00 129.05 ? 614 ASP B OD1 1 ATOM 2870 O OD2 . ASP B 2 113 ? -46.480 26.417 23.211 1.00 132.54 ? 614 ASP B OD2 1 ATOM 2871 N N . TRP B 2 114 ? -50.614 28.668 26.110 1.00 139.06 ? 615 TRP B N 1 ATOM 2872 C CA . TRP B 2 114 ? -51.345 29.732 26.816 1.00 143.23 ? 615 TRP B CA 1 ATOM 2873 C C . TRP B 2 114 ? -52.165 29.238 28.028 1.00 142.78 ? 615 TRP B C 1 ATOM 2874 O O . TRP B 2 114 ? -52.527 30.043 28.890 1.00 140.83 ? 615 TRP B O 1 ATOM 2875 C CB . TRP B 2 114 ? -52.242 30.508 25.836 1.00 148.08 ? 615 TRP B CB 1 ATOM 2876 C CG . TRP B 2 114 ? -52.876 31.748 26.421 1.00 153.70 ? 615 TRP B CG 1 ATOM 2877 C CD1 . TRP B 2 114 ? -54.212 32.038 26.484 1.00 155.54 ? 615 TRP B CD1 1 ATOM 2878 C CD2 . TRP B 2 114 ? -52.197 32.850 27.043 1.00 158.84 ? 615 TRP B CD2 1 ATOM 2879 N NE1 . TRP B 2 114 ? -54.407 33.254 27.096 1.00 157.21 ? 615 TRP B NE1 1 ATOM 2880 C CE2 . TRP B 2 114 ? -53.188 33.774 27.451 1.00 159.60 ? 615 TRP B CE2 1 ATOM 2881 C CE3 . TRP B 2 114 ? -50.846 33.150 27.292 1.00 161.74 ? 615 TRP B CE3 1 ATOM 2882 C CZ2 . TRP B 2 114 ? -52.870 34.981 28.096 1.00 161.14 ? 615 TRP B CZ2 1 ATOM 2883 C CZ3 . TRP B 2 114 ? -50.530 34.350 27.934 1.00 162.34 ? 615 TRP B CZ3 1 ATOM 2884 C CH2 . TRP B 2 114 ? -51.539 35.248 28.327 1.00 162.14 ? 615 TRP B CH2 1 ATOM 2885 N N . THR B 2 115 ? -52.456 27.934 28.098 1.00 143.36 ? 616 THR B N 1 ATOM 2886 C CA . THR B 2 115 ? -53.081 27.343 29.294 1.00 143.05 ? 616 THR B CA 1 ATOM 2887 C C . THR B 2 115 ? -52.052 27.318 30.424 1.00 141.90 ? 616 THR B C 1 ATOM 2888 O O . THR B 2 115 ? -52.267 27.903 31.485 1.00 140.54 ? 616 THR B O 1 ATOM 2889 C CB . THR B 2 115 ? -53.619 25.900 29.070 1.00 143.75 ? 616 THR B CB 1 ATOM 2890 O OG1 . THR B 2 115 ? -52.533 24.966 28.985 1.00 145.20 ? 616 THR B OG1 1 ATOM 2891 C CG2 . THR B 2 115 ? -54.479 25.794 27.809 1.00 143.59 ? 616 THR B CG2 1 ATOM 2892 N N . LYS B 2 116 ? -50.924 26.656 30.165 1.00 142.17 ? 617 LYS B N 1 ATOM 2893 C CA . LYS B 2 116 ? -49.848 26.504 31.153 1.00 143.81 ? 617 LYS B CA 1 ATOM 2894 C C . LYS B 2 116 ? -48.999 27.764 31.397 1.00 145.29 ? 617 LYS B C 1 ATOM 2895 O O . LYS B 2 116 ? -48.168 27.760 32.302 1.00 147.11 ? 617 LYS B O 1 ATOM 2896 C CB . LYS B 2 116 ? -48.948 25.295 30.818 1.00 143.89 ? 617 LYS B CB 1 ATOM 2897 C CG . LYS B 2 116 ? -48.086 25.406 29.564 1.00 144.04 ? 617 LYS B CG 1 ATOM 2898 C CD . LYS B 2 116 ? -47.203 24.178 29.403 1.00 143.05 ? 617 LYS B CD 1 ATOM 2899 C CE . LYS B 2 116 ? -46.366 24.253 28.137 1.00 143.02 ? 617 LYS B CE 1 ATOM 2900 N NZ . LYS B 2 116 ? -45.193 23.339 28.192 1.00 142.83 ? 617 LYS B NZ 1 ATOM 2901 N N . ASN B 2 117 ? -49.188 28.821 30.602 1.00 146.87 ? 618 ASN B N 1 ATOM 2902 C CA . ASN B 2 117 ? -48.623 30.144 30.923 1.00 148.09 ? 618 ASN B CA 1 ATOM 2903 C C . ASN B 2 117 ? -49.375 30.789 32.090 1.00 150.32 ? 618 ASN B C 1 ATOM 2904 O O . ASN B 2 117 ? -48.760 31.460 32.921 1.00 154.50 ? 618 ASN B O 1 ATOM 2905 C CB . ASN B 2 117 ? -48.648 31.082 29.705 1.00 146.68 ? 618 ASN B CB 1 ATOM 2906 C CG . ASN B 2 117 ? -47.794 32.329 29.903 1.00 145.22 ? 618 ASN B CG 1 ATOM 2907 O OD1 . ASN B 2 117 ? -48.196 33.276 30.581 1.00 142.92 ? 618 ASN B OD1 1 ATOM 2908 N ND2 . ASN B 2 117 ? -46.613 32.338 29.297 1.00 145.47 ? 618 ASN B ND2 1 ATOM 2909 N N . ILE B 2 118 ? -50.695 30.588 32.141 1.00 151.06 ? 619 ILE B N 1 ATOM 2910 C CA . ILE B 2 118 ? -51.552 31.172 33.188 1.00 152.01 ? 619 ILE B CA 1 ATOM 2911 C C . ILE B 2 118 ? -51.616 30.303 34.459 1.00 152.90 ? 619 ILE B C 1 ATOM 2912 O O . ILE B 2 118 ? -51.718 30.846 35.563 1.00 150.89 ? 619 ILE B O 1 ATOM 2913 C CB . ILE B 2 118 ? -52.979 31.473 32.651 1.00 150.74 ? 619 ILE B CB 1 ATOM 2914 C CG1 . ILE B 2 118 ? -52.916 32.363 31.393 1.00 148.78 ? 619 ILE B CG1 1 ATOM 2915 C CG2 . ILE B 2 118 ? -53.853 32.117 33.729 1.00 150.22 ? 619 ILE B CG2 1 ATOM 2916 C CD1 . ILE B 2 118 ? -52.167 33.672 31.560 1.00 148.09 ? 619 ILE B CD1 1 ATOM 2917 N N . THR B 2 119 ? -51.553 28.976 34.306 1.00 153.66 ? 620 THR B N 1 ATOM 2918 C CA . THR B 2 119 ? -51.412 28.054 35.452 1.00 153.80 ? 620 THR B CA 1 ATOM 2919 C C . THR B 2 119 ? -50.058 28.243 36.157 1.00 156.39 ? 620 THR B C 1 ATOM 2920 O O . THR B 2 119 ? -49.954 28.056 37.372 1.00 158.19 ? 620 THR B O 1 ATOM 2921 C CB . THR B 2 119 ? -51.556 26.571 35.028 1.00 152.27 ? 620 THR B CB 1 ATOM 2922 O OG1 . THR B 2 119 ? -52.719 26.409 34.210 1.00 151.25 ? 620 THR B OG1 1 ATOM 2923 C CG2 . THR B 2 119 ? -51.679 25.650 36.245 1.00 151.57 ? 620 THR B CG2 1 ATOM 2924 N N . ASP B 2 120 ? -49.032 28.598 35.383 1.00 157.84 ? 621 ASP B N 1 ATOM 2925 C CA . ASP B 2 120 ? -47.716 28.969 35.916 1.00 159.17 ? 621 ASP B CA 1 ATOM 2926 C C . ASP B 2 120 ? -47.747 30.306 36.688 1.00 162.04 ? 621 ASP B C 1 ATOM 2927 O O . ASP B 2 120 ? -47.066 30.443 37.709 1.00 164.18 ? 621 ASP B O 1 ATOM 2928 C CB . ASP B 2 120 ? -46.696 29.025 34.764 1.00 157.72 ? 621 ASP B CB 1 ATOM 2929 C CG . ASP B 2 120 ? -45.273 29.279 35.230 1.00 156.77 ? 621 ASP B CG 1 ATOM 2930 O OD1 . ASP B 2 120 ? -44.784 28.529 36.098 1.00 156.89 ? 621 ASP B OD1 1 ATOM 2931 O OD2 . ASP B 2 120 ? -44.632 30.213 34.703 1.00 155.15 ? 621 ASP B OD2 1 ATOM 2932 N N . LYS B 2 121 ? -48.542 31.270 36.208 1.00 163.72 ? 622 LYS B N 1 ATOM 2933 C CA . LYS B 2 121 ? -48.588 32.637 36.771 1.00 165.20 ? 622 LYS B CA 1 ATOM 2934 C C . LYS B 2 121 ? -49.721 32.937 37.781 1.00 167.14 ? 622 LYS B C 1 ATOM 2935 O O . LYS B 2 121 ? -49.797 34.064 38.283 1.00 167.95 ? 622 LYS B O 1 ATOM 2936 C CB . LYS B 2 121 ? -48.600 33.670 35.632 1.00 164.22 ? 622 LYS B CB 1 ATOM 2937 C CG . LYS B 2 121 ? -47.307 33.690 34.827 1.00 163.72 ? 622 LYS B CG 1 ATOM 2938 C CD . LYS B 2 121 ? -47.432 34.500 33.547 1.00 162.27 ? 622 LYS B CD 1 ATOM 2939 C CE . LYS B 2 121 ? -47.490 35.991 33.824 1.00 160.99 ? 622 LYS B CE 1 ATOM 2940 N NZ . LYS B 2 121 ? -47.417 36.770 32.559 1.00 160.12 ? 622 LYS B NZ 1 ATOM 2941 N N . ILE B 2 122 ? -50.590 31.962 38.081 1.00 168.17 ? 623 ILE B N 1 ATOM 2942 C CA . ILE B 2 122 ? -51.423 32.032 39.308 1.00 167.28 ? 623 ILE B CA 1 ATOM 2943 C C . ILE B 2 122 ? -50.555 31.860 40.557 1.00 167.43 ? 623 ILE B C 1 ATOM 2944 O O . ILE B 2 122 ? -50.900 32.365 41.626 1.00 167.46 ? 623 ILE B O 1 ATOM 2945 C CB . ILE B 2 122 ? -52.597 31.008 39.351 1.00 165.80 ? 623 ILE B CB 1 ATOM 2946 C CG1 . ILE B 2 122 ? -52.099 29.545 39.436 1.00 164.83 ? 623 ILE B CG1 1 ATOM 2947 C CG2 . ILE B 2 122 ? -53.560 31.238 38.188 1.00 164.68 ? 623 ILE B CG2 1 ATOM 2948 C CD1 . ILE B 2 122 ? -52.141 28.935 40.826 1.00 163.26 ? 623 ILE B CD1 1 ATOM 2949 N N . ASP B 2 123 ? -49.428 31.155 40.407 1.00 166.15 ? 624 ASP B N 1 ATOM 2950 C CA . ASP B 2 123 ? -48.425 31.024 41.468 1.00 165.07 ? 624 ASP B CA 1 ATOM 2951 C C . ASP B 2 123 ? -47.445 32.222 41.531 1.00 166.13 ? 624 ASP B C 1 ATOM 2952 O O . ASP B 2 123 ? -46.276 32.065 41.901 1.00 167.22 ? 624 ASP B O 1 ATOM 2953 C CB . ASP B 2 123 ? -47.677 29.688 41.335 1.00 162.04 ? 624 ASP B CB 1 ATOM 2954 C CG . ASP B 2 123 ? -48.609 28.492 41.418 1.00 159.29 ? 624 ASP B CG 1 ATOM 2955 O OD1 . ASP B 2 123 ? -49.139 28.074 40.368 1.00 154.98 ? 624 ASP B OD1 1 ATOM 2956 O OD2 . ASP B 2 123 ? -48.811 27.972 42.535 1.00 157.45 ? 624 ASP B OD2 1 ATOM 2957 N N . GLN B 2 124 ? -47.925 33.403 41.133 1.00 164.44 ? 625 GLN B N 1 ATOM 2958 C CA . GLN B 2 124 ? -47.411 34.684 41.611 1.00 162.59 ? 625 GLN B CA 1 ATOM 2959 C C . GLN B 2 124 ? -48.587 35.577 42.061 1.00 163.81 ? 625 GLN B C 1 ATOM 2960 O O . GLN B 2 124 ? -48.532 36.806 41.944 1.00 164.40 ? 625 GLN B O 1 ATOM 2961 C CB . GLN B 2 124 ? -46.572 35.357 40.522 1.00 159.27 ? 625 GLN B CB 1 ATOM 2962 C CG . GLN B 2 124 ? -45.315 34.580 40.169 1.00 156.56 ? 625 GLN B CG 1 ATOM 2963 C CD . GLN B 2 124 ? -44.461 35.289 39.139 1.00 154.02 ? 625 GLN B CD 1 ATOM 2964 O OE1 . GLN B 2 124 ? -44.954 35.695 38.087 1.00 152.91 ? 625 GLN B OE1 1 ATOM 2965 N NE2 . GLN B 2 124 ? -43.172 35.432 39.430 1.00 152.73 ? 625 GLN B NE2 1 ATOM 2966 N N . ILE B 2 125 ? -49.650 34.940 42.568 1.00 164.89 ? 626 ILE B N 1 ATOM 2967 C CA . ILE B 2 125 ? -50.791 35.649 43.182 1.00 166.11 ? 626 ILE B CA 1 ATOM 2968 C C . ILE B 2 125 ? -51.458 34.844 44.330 1.00 167.90 ? 626 ILE B C 1 ATOM 2969 O O . ILE B 2 125 ? -51.799 35.429 45.364 1.00 168.81 ? 626 ILE B O 1 ATOM 2970 C CB . ILE B 2 125 ? -51.805 36.164 42.104 1.00 163.85 ? 626 ILE B CB 1 ATOM 2971 C CG1 . ILE B 2 125 ? -52.328 37.563 42.468 1.00 162.30 ? 626 ILE B CG1 1 ATOM 2972 C CG2 . ILE B 2 125 ? -52.972 35.208 41.862 1.00 163.10 ? 626 ILE B CG2 1 ATOM 2973 C CD1 . ILE B 2 125 ? -51.362 38.685 42.144 1.00 160.75 ? 626 ILE B CD1 1 ATOM 2974 N N . ILE B 2 126 ? -51.645 33.529 44.150 1.00 167.97 ? 627 ILE B N 1 ATOM 2975 C CA . ILE B 2 126 ? -52.051 32.617 45.240 1.00 166.74 ? 627 ILE B CA 1 ATOM 2976 C C . ILE B 2 126 ? -50.835 32.045 45.995 1.00 166.52 ? 627 ILE B C 1 ATOM 2977 O O . ILE B 2 126 ? -50.917 31.794 47.198 1.00 167.42 ? 627 ILE B O 1 ATOM 2978 C CB . ILE B 2 126 ? -52.982 31.473 44.735 1.00 164.86 ? 627 ILE B CB 1 ATOM 2979 C CG1 . ILE B 2 126 ? -53.795 30.883 45.896 1.00 163.26 ? 627 ILE B CG1 1 ATOM 2980 C CG2 . ILE B 2 126 ? -52.212 30.364 44.015 1.00 164.23 ? 627 ILE B CG2 1 ATOM 2981 C CD1 . ILE B 2 126 ? -54.842 29.878 45.463 1.00 162.12 ? 627 ILE B CD1 1 ATOM 2982 N N . HIS B 2 127 ? -49.725 31.839 45.281 1.00 165.70 ? 628 HIS B N 1 ATOM 2983 C CA . HIS B 2 127 ? -48.456 31.395 45.876 1.00 165.31 ? 628 HIS B CA 1 ATOM 2984 C C . HIS B 2 127 ? -47.792 32.566 46.602 1.00 165.49 ? 628 HIS B C 1 ATOM 2985 O O . HIS B 2 127 ? -47.356 32.420 47.745 1.00 166.11 ? 628 HIS B O 1 ATOM 2986 C CB . HIS B 2 127 ? -47.533 30.837 44.784 1.00 165.57 ? 628 HIS B CB 1 ATOM 2987 C CG . HIS B 2 127 ? -46.212 30.333 45.281 1.00 165.51 ? 628 HIS B CG 1 ATOM 2988 N ND1 . HIS B 2 127 ? -46.094 29.425 46.312 1.00 165.00 ? 628 HIS B ND1 1 ATOM 2989 C CD2 . HIS B 2 127 ? -44.950 30.587 44.859 1.00 164.44 ? 628 HIS B CD2 1 ATOM 2990 C CE1 . HIS B 2 127 ? -44.817 29.157 46.517 1.00 164.34 ? 628 HIS B CE1 1 ATOM 2991 N NE2 . HIS B 2 127 ? -44.102 29.849 45.648 1.00 164.17 ? 628 HIS B NE2 1 ATOM 2992 N N . ASP B 2 128 ? -47.718 33.716 45.928 1.00 165.17 ? 629 ASP B N 1 ATOM 2993 C CA . ASP B 2 128 ? -47.274 34.972 46.547 1.00 164.08 ? 629 ASP B CA 1 ATOM 2994 C C . ASP B 2 128 ? -48.482 35.736 47.099 1.00 164.79 ? 629 ASP B C 1 ATOM 2995 O O . ASP B 2 128 ? -48.957 36.702 46.490 1.00 163.31 ? 629 ASP B O 1 ATOM 2996 C CB . ASP B 2 128 ? -46.493 35.833 45.545 1.00 162.45 ? 629 ASP B CB 1 ATOM 2997 C CG . ASP B 2 128 ? -45.158 35.217 45.157 1.00 161.24 ? 629 ASP B CG 1 ATOM 2998 O OD1 . ASP B 2 128 ? -44.203 35.982 44.914 1.00 159.08 ? 629 ASP B OD1 1 ATOM 2999 O OD2 . ASP B 2 128 ? -45.059 33.972 45.096 1.00 159.60 ? 629 ASP B OD2 1 ATOM 3000 N N . PHE B 2 129 ? -48.975 35.264 48.246 1.00 164.92 ? 630 PHE B N 1 ATOM 3001 C CA . PHE B 2 129 ? -50.049 35.911 49.012 1.00 162.46 ? 630 PHE B CA 1 ATOM 3002 C C . PHE B 2 129 ? -49.518 36.112 50.436 1.00 161.47 ? 630 PHE B C 1 ATOM 3003 O O . PHE B 2 129 ? -49.962 35.466 51.389 1.00 160.81 ? 630 PHE B O 1 ATOM 3004 C CB . PHE B 2 129 ? -51.326 35.051 48.978 1.00 160.56 ? 630 PHE B CB 1 ATOM 3005 C CG . PHE B 2 129 ? -52.567 35.766 49.457 1.00 158.68 ? 630 PHE B CG 1 ATOM 3006 C CD1 . PHE B 2 129 ? -53.211 36.698 48.642 1.00 155.86 ? 630 PHE B CD1 1 ATOM 3007 C CD2 . PHE B 2 129 ? -53.110 35.491 50.714 1.00 156.97 ? 630 PHE B CD2 1 ATOM 3008 C CE1 . PHE B 2 129 ? -54.358 37.351 49.076 1.00 154.57 ? 630 PHE B CE1 1 ATOM 3009 C CE2 . PHE B 2 129 ? -54.258 36.143 51.151 1.00 155.35 ? 630 PHE B CE2 1 ATOM 3010 C CZ . PHE B 2 129 ? -54.882 37.073 50.332 1.00 154.65 ? 630 PHE B CZ 1 ATOM 3011 N N . VAL B 2 130 ? -48.554 37.027 50.552 1.00 160.19 ? 631 VAL B N 1 ATOM 3012 C CA . VAL B 2 130 ? -47.749 37.203 51.766 1.00 159.60 ? 631 VAL B CA 1 ATOM 3013 C C . VAL B 2 130 ? -48.375 38.247 52.696 1.00 159.41 ? 631 VAL B C 1 ATOM 3014 O O . VAL B 2 130 ? -48.546 39.405 52.305 1.00 159.03 ? 631 VAL B O 1 ATOM 3015 C CB . VAL B 2 130 ? -46.301 37.638 51.418 1.00 159.01 ? 631 VAL B CB 1 ATOM 3016 C CG1 . VAL B 2 130 ? -45.426 37.674 52.671 1.00 158.80 ? 631 VAL B CG1 1 ATOM 3017 C CG2 . VAL B 2 130 ? -45.698 36.715 50.359 1.00 157.40 ? 631 VAL B CG2 1 ATOM 3018 N N . ASP B 2 131 ? -48.706 37.830 53.922 1.00 158.43 ? 632 ASP B N 1 ATOM 3019 C CA . ASP B 2 131 ? -49.244 38.731 54.950 1.00 157.52 ? 632 ASP B CA 1 ATOM 3020 C C . ASP B 2 131 ? -48.110 39.307 55.802 1.00 156.92 ? 632 ASP B C 1 ATOM 3021 O O . ASP B 2 131 ? -48.349 40.037 56.761 1.00 155.92 ? 632 ASP B O 1 ATOM 3022 C CB . ASP B 2 131 ? -50.303 38.018 55.821 1.00 156.24 ? 632 ASP B CB 1 ATOM 3023 C CG . ASP B 2 131 ? -49.700 37.073 56.866 1.00 155.12 ? 632 ASP B CG 1 ATOM 3024 O OD1 . ASP B 2 131 ? -48.705 36.376 56.571 1.00 153.80 ? 632 ASP B OD1 1 ATOM 3025 O OD2 . ASP B 2 131 ? -50.245 37.018 57.988 1.00 153.87 ? 632 ASP B OD2 1 HETATM 3026 C C1 . NAG C 3 . ? -37.858 -0.881 -40.265 1.00 69.49 ? 601 NAG A C1 1 HETATM 3027 C C2 . NAG C 3 . ? -37.793 0.289 -39.289 1.00 73.78 ? 601 NAG A C2 1 HETATM 3028 C C3 . NAG C 3 . ? -36.966 1.402 -39.924 1.00 74.59 ? 601 NAG A C3 1 HETATM 3029 C C4 . NAG C 3 . ? -35.575 0.864 -40.250 1.00 74.00 ? 601 NAG A C4 1 HETATM 3030 C C5 . NAG C 3 . ? -35.671 -0.392 -41.119 1.00 73.02 ? 601 NAG A C5 1 HETATM 3031 C C6 . NAG C 3 . ? -34.312 -1.041 -41.368 1.00 72.91 ? 601 NAG A C6 1 HETATM 3032 C C7 . NAG C 3 . ? -39.482 1.125 -37.695 1.00 77.35 ? 601 NAG A C7 1 HETATM 3033 C C8 . NAG C 3 . ? -40.922 1.520 -37.530 1.00 77.94 ? 601 NAG A C8 1 HETATM 3034 N N2 . NAG C 3 . ? -39.137 0.724 -38.926 1.00 75.07 ? 601 NAG A N2 1 HETATM 3035 O O3 . NAG C 3 . ? -36.867 2.530 -39.047 1.00 76.91 ? 601 NAG A O3 1 HETATM 3036 O O4 . NAG C 3 . ? -34.820 1.876 -40.922 1.00 77.06 ? 601 NAG A O4 1 HETATM 3037 O O5 . NAG C 3 . ? -36.527 -1.353 -40.495 1.00 71.50 ? 601 NAG A O5 1 HETATM 3038 O O6 . NAG C 3 . ? -33.753 -1.531 -40.144 1.00 73.18 ? 601 NAG A O6 1 HETATM 3039 O O7 . NAG C 3 . ? -38.702 1.183 -36.753 1.00 78.37 ? 601 NAG A O7 1 HETATM 3040 C C1 . NAG D 3 . ? -71.602 -3.067 -37.719 1.00 124.52 ? 602 NAG A C1 1 HETATM 3041 C C2 . NAG D 3 . ? -73.087 -3.294 -38.031 1.00 131.49 ? 602 NAG A C2 1 HETATM 3042 C C3 . NAG D 3 . ? -73.524 -4.754 -37.873 1.00 133.11 ? 602 NAG A C3 1 HETATM 3043 C C4 . NAG D 3 . ? -72.497 -5.767 -38.380 1.00 133.48 ? 602 NAG A C4 1 HETATM 3044 C C5 . NAG D 3 . ? -71.073 -5.394 -37.975 1.00 132.29 ? 602 NAG A C5 1 HETATM 3045 C C6 . NAG D 3 . ? -70.056 -6.343 -38.606 1.00 130.70 ? 602 NAG A C6 1 HETATM 3046 C C7 . NAG D 3 . ? -74.692 -1.459 -37.558 1.00 130.40 ? 602 NAG A C7 1 HETATM 3047 C C8 . NAG D 3 . ? -75.427 -0.738 -36.463 1.00 128.91 ? 602 NAG A C8 1 HETATM 3048 N N2 . NAG D 3 . ? -73.894 -2.456 -37.149 1.00 131.07 ? 602 NAG A N2 1 HETATM 3049 O O3 . NAG D 3 . ? -74.742 -4.946 -38.603 1.00 133.50 ? 602 NAG A O3 1 HETATM 3050 O O4 . NAG D 3 . ? -72.823 -7.064 -37.863 1.00 131.66 ? 602 NAG A O4 1 HETATM 3051 O O5 . NAG D 3 . ? -70.805 -4.052 -38.389 1.00 129.96 ? 602 NAG A O5 1 HETATM 3052 O O6 . NAG D 3 . ? -68.723 -5.906 -38.317 1.00 129.56 ? 602 NAG A O6 1 HETATM 3053 O O7 . NAG D 3 . ? -74.837 -1.133 -38.727 1.00 129.34 ? 602 NAG A O7 1 HETATM 3054 C C1 . NAG E 3 . ? -43.455 8.123 -48.423 1.00 93.42 ? 603 NAG A C1 1 HETATM 3055 C C2 . NAG E 3 . ? -42.119 8.827 -48.660 1.00 99.56 ? 603 NAG A C2 1 HETATM 3056 C C3 . NAG E 3 . ? -42.083 10.180 -47.957 1.00 100.03 ? 603 NAG A C3 1 HETATM 3057 C C4 . NAG E 3 . ? -43.305 11.018 -48.321 1.00 100.88 ? 603 NAG A C4 1 HETATM 3058 C C5 . NAG E 3 . ? -44.591 10.224 -48.097 1.00 101.48 ? 603 NAG A C5 1 HETATM 3059 C C6 . NAG E 3 . ? -45.811 11.026 -48.550 1.00 102.34 ? 603 NAG A C6 1 HETATM 3060 C C7 . NAG E 3 . ? -40.339 7.148 -48.935 1.00 106.80 ? 603 NAG A C7 1 HETATM 3061 C C8 . NAG E 3 . ? -39.241 6.401 -48.234 1.00 107.67 ? 603 NAG A C8 1 HETATM 3062 N N2 . NAG E 3 . ? -41.017 8.012 -48.173 1.00 103.31 ? 603 NAG A N2 1 HETATM 3063 O O3 . NAG E 3 . ? -40.885 10.873 -48.323 1.00 101.35 ? 603 NAG A O3 1 HETATM 3064 O O4 . NAG E 3 . ? -43.325 12.210 -47.528 1.00 100.60 ? 603 NAG A O4 1 HETATM 3065 O O5 . NAG E 3 . ? -44.528 8.985 -48.814 1.00 97.92 ? 603 NAG A O5 1 HETATM 3066 O O6 . NAG E 3 . ? -46.975 10.190 -48.606 1.00 101.78 ? 603 NAG A O6 1 HETATM 3067 O O7 . NAG E 3 . ? -40.587 6.959 -50.117 1.00 108.62 ? 603 NAG A O7 1 HETATM 3068 C C1 . NAG F 3 . ? -38.321 -9.186 -54.992 1.00 100.47 ? 604 NAG A C1 1 HETATM 3069 C C2 . NAG F 3 . ? -37.201 -9.636 -54.031 1.00 106.31 ? 604 NAG A C2 1 HETATM 3070 C C3 . NAG F 3 . ? -37.558 -10.947 -53.339 1.00 106.93 ? 604 NAG A C3 1 HETATM 3071 C C4 . NAG F 3 . ? -38.856 -10.731 -52.579 1.00 106.91 ? 604 NAG A C4 1 HETATM 3072 C C5 . NAG F 3 . ? -39.991 -10.470 -53.555 1.00 105.92 ? 604 NAG A C5 1 HETATM 3073 C C6 . NAG F 3 . ? -41.215 -9.989 -52.777 1.00 104.62 ? 604 NAG A C6 1 HETATM 3074 C C7 . NAG F 3 . ? -34.739 -9.630 -54.103 1.00 109.92 ? 604 NAG A C7 1 HETATM 3075 C C8 . NAG F 3 . ? -33.520 -9.823 -54.951 1.00 109.70 ? 604 NAG A C8 1 HETATM 3076 N N2 . NAG F 3 . ? -35.922 -9.778 -54.720 1.00 106.99 ? 604 NAG A N2 1 HETATM 3077 O O3 . NAG F 3 . ? -36.525 -11.375 -52.440 1.00 105.57 ? 604 NAG A O3 1 HETATM 3078 O O4 . NAG F 3 . ? -39.156 -11.870 -51.764 1.00 109.46 ? 604 NAG A O4 1 HETATM 3079 O O5 . NAG F 3 . ? -39.668 -9.483 -54.550 1.00 105.45 ? 604 NAG A O5 1 HETATM 3080 O O6 . NAG F 3 . ? -42.262 -9.638 -53.688 1.00 104.97 ? 604 NAG A O6 1 HETATM 3081 O O7 . NAG F 3 . ? -34.624 -9.365 -52.916 1.00 110.98 ? 604 NAG A O7 1 HETATM 3082 C C1 . GOL G 4 . ? -52.722 3.330 -23.780 1.00 57.90 ? 605 GOL A C1 1 HETATM 3083 O O1 . GOL G 4 . ? -53.843 3.046 -24.624 1.00 56.93 ? 605 GOL A O1 1 HETATM 3084 C C2 . GOL G 4 . ? -52.340 4.813 -23.830 1.00 58.74 ? 605 GOL A C2 1 HETATM 3085 O O2 . GOL G 4 . ? -53.464 5.637 -24.151 1.00 59.24 ? 605 GOL A O2 1 HETATM 3086 C C3 . GOL G 4 . ? -51.758 5.295 -22.498 1.00 60.10 ? 605 GOL A C3 1 HETATM 3087 O O3 . GOL G 4 . ? -52.745 5.281 -21.456 1.00 58.81 ? 605 GOL A O3 1 HETATM 3088 C C1 . GOL H 4 . ? -41.921 12.186 -29.067 1.00 86.69 ? 606 GOL A C1 1 HETATM 3089 O O1 . GOL H 4 . ? -41.104 12.711 -28.009 1.00 83.70 ? 606 GOL A O1 1 HETATM 3090 C C2 . GOL H 4 . ? -43.418 12.339 -28.755 1.00 87.37 ? 606 GOL A C2 1 HETATM 3091 O O2 . GOL H 4 . ? -43.612 12.985 -27.491 1.00 87.07 ? 606 GOL A O2 1 HETATM 3092 C C3 . GOL H 4 . ? -44.150 13.143 -29.832 1.00 86.70 ? 606 GOL A C3 1 HETATM 3093 O O3 . GOL H 4 . ? -44.521 12.278 -30.914 1.00 84.05 ? 606 GOL A O3 1 HETATM 3094 C C1 . GOL I 4 . ? -62.205 19.789 -38.753 1.00 84.14 ? 607 GOL A C1 1 HETATM 3095 O O1 . GOL I 4 . ? -61.726 21.060 -38.307 1.00 84.33 ? 607 GOL A O1 1 HETATM 3096 C C2 . GOL I 4 . ? -63.533 19.420 -38.082 1.00 85.80 ? 607 GOL A C2 1 HETATM 3097 O O2 . GOL I 4 . ? -63.693 20.123 -36.839 1.00 87.32 ? 607 GOL A O2 1 HETATM 3098 C C3 . GOL I 4 . ? -64.743 19.723 -38.973 1.00 87.52 ? 607 GOL A C3 1 HETATM 3099 O O3 . GOL I 4 . ? -65.726 18.687 -38.833 1.00 87.16 ? 607 GOL A O3 1 HETATM 3100 C C1 . GOL J 4 . ? -66.473 5.913 -13.771 1.00 72.09 ? 701 GOL B C1 1 HETATM 3101 O O1 . GOL J 4 . ? -66.148 4.537 -13.558 1.00 72.47 ? 701 GOL B O1 1 HETATM 3102 C C2 . GOL J 4 . ? -65.641 6.787 -12.840 1.00 71.59 ? 701 GOL B C2 1 HETATM 3103 O O2 . GOL J 4 . ? -64.282 6.816 -13.292 1.00 72.80 ? 701 GOL B O2 1 HETATM 3104 C C3 . GOL J 4 . ? -66.217 8.197 -12.830 1.00 70.71 ? 701 GOL B C3 1 HETATM 3105 O O3 . GOL J 4 . ? -65.309 9.118 -12.214 1.00 70.48 ? 701 GOL B O3 1 HETATM 3106 C C1 . GOL K 4 . ? -42.645 2.071 -15.439 1.00 88.96 ? 702 GOL B C1 1 HETATM 3107 O O1 . GOL K 4 . ? -43.918 1.438 -15.587 1.00 87.43 ? 702 GOL B O1 1 HETATM 3108 C C2 . GOL K 4 . ? -41.757 1.262 -14.495 1.00 89.52 ? 702 GOL B C2 1 HETATM 3109 O O2 . GOL K 4 . ? -41.958 -0.142 -14.713 1.00 90.38 ? 702 GOL B O2 1 HETATM 3110 C C3 . GOL K 4 . ? -40.286 1.618 -14.707 1.00 89.98 ? 702 GOL B C3 1 HETATM 3111 O O3 . GOL K 4 . ? -39.456 0.712 -13.968 1.00 91.18 ? 702 GOL B O3 1 HETATM 3112 C C1 . NAG L 3 . ? -62.569 3.945 -14.098 1.00 54.61 ? 703 NAG B C1 1 HETATM 3113 C C2 . NAG L 3 . ? -62.770 4.184 -15.588 1.00 58.15 ? 703 NAG B C2 1 HETATM 3114 C C3 . NAG L 3 . ? -63.900 3.316 -16.138 1.00 60.95 ? 703 NAG B C3 1 HETATM 3115 C C4 . NAG L 3 . ? -63.724 1.843 -15.747 1.00 63.88 ? 703 NAG B C4 1 HETATM 3116 C C5 . NAG L 3 . ? -63.359 1.688 -14.272 1.00 60.04 ? 703 NAG B C5 1 HETATM 3117 C C6 . NAG L 3 . ? -62.941 0.263 -13.918 1.00 59.10 ? 703 NAG B C6 1 HETATM 3118 C C7 . NAG L 3 . ? -62.349 6.349 -16.689 1.00 55.83 ? 703 NAG B C7 1 HETATM 3119 C C8 . NAG L 3 . ? -62.825 7.764 -16.828 1.00 54.06 ? 703 NAG B C8 1 HETATM 3120 N N2 . NAG L 3 . ? -63.064 5.583 -15.854 1.00 56.70 ? 703 NAG B N2 1 HETATM 3121 O O3 . NAG L 3 . ? -63.921 3.494 -17.562 1.00 59.21 ? 703 NAG B O3 1 HETATM 3122 O O4 . NAG L 3 . ? -64.945 1.111 -15.907 1.00 79.65 ? 703 NAG B O4 1 HETATM 3123 O O5 . NAG L 3 . ? -62.292 2.556 -13.906 1.00 57.36 ? 703 NAG B O5 1 HETATM 3124 O O6 . NAG L 3 . ? -61.736 -0.096 -14.600 1.00 56.78 ? 703 NAG B O6 1 HETATM 3125 O O7 . NAG L 3 . ? -61.370 5.957 -17.307 1.00 55.20 ? 703 NAG B O7 1 HETATM 3126 C C1 . NAG M 3 . ? -65.299 0.784 -17.267 1.00 97.56 ? 704 NAG B C1 1 HETATM 3127 C C2 . NAG M 3 . ? -65.523 -0.725 -17.394 1.00 104.23 ? 704 NAG B C2 1 HETATM 3128 C C3 . NAG M 3 . ? -65.966 -1.062 -18.816 1.00 109.35 ? 704 NAG B C3 1 HETATM 3129 C C4 . NAG M 3 . ? -67.184 -0.231 -19.223 1.00 113.28 ? 704 NAG B C4 1 HETATM 3130 C C5 . NAG M 3 . ? -66.961 1.263 -18.969 1.00 109.02 ? 704 NAG B C5 1 HETATM 3131 C C6 . NAG M 3 . ? -68.252 2.062 -19.148 1.00 106.45 ? 704 NAG B C6 1 HETATM 3132 C C7 . NAG M 3 . ? -64.279 -2.476 -16.155 1.00 102.72 ? 704 NAG B C7 1 HETATM 3133 C C8 . NAG M 3 . ? -62.935 -3.114 -15.953 1.00 101.74 ? 704 NAG B C8 1 HETATM 3134 N N2 . NAG M 3 . ? -64.317 -1.474 -17.047 1.00 104.56 ? 704 NAG B N2 1 HETATM 3135 O O3 . NAG M 3 . ? -66.277 -2.459 -18.906 1.00 108.60 ? 704 NAG B O3 1 HETATM 3136 O O4 . NAG M 3 . ? -67.454 -0.429 -20.625 1.00 124.62 ? 704 NAG B O4 1 HETATM 3137 O O5 . NAG M 3 . ? -66.486 1.491 -17.638 1.00 104.99 ? 704 NAG B O5 1 HETATM 3138 O O6 . NAG M 3 . ? -67.951 3.457 -19.278 1.00 102.49 ? 704 NAG B O6 1 HETATM 3139 O O7 . NAG M 3 . ? -65.250 -2.871 -15.527 1.00 101.99 ? 704 NAG B O7 1 HETATM 3140 C C1 . BMA N 5 . ? -68.724 -1.068 -20.899 1.00 132.08 ? 705 BMA B C1 1 HETATM 3141 C C2 . BMA N 5 . ? -69.236 -0.605 -22.264 1.00 132.64 ? 705 BMA B C2 1 HETATM 3142 C C3 . BMA N 5 . ? -70.548 -1.307 -22.609 1.00 134.51 ? 705 BMA B C3 1 HETATM 3143 C C4 . BMA N 5 . ? -70.408 -2.823 -22.464 1.00 136.38 ? 705 BMA B C4 1 HETATM 3144 C C5 . BMA N 5 . ? -69.863 -3.183 -21.079 1.00 137.63 ? 705 BMA B C5 1 HETATM 3145 C C6 . BMA N 5 . ? -69.644 -4.690 -20.933 1.00 138.53 ? 705 BMA B C6 1 HETATM 3146 O O2 . BMA N 5 . ? -68.259 -0.870 -23.280 1.00 130.66 ? 705 BMA B O2 1 HETATM 3147 O O3 . BMA N 5 . ? -70.947 -0.978 -23.945 1.00 132.42 ? 705 BMA B O3 1 HETATM 3148 O O4 . BMA N 5 . ? -71.682 -3.444 -22.681 1.00 134.64 ? 705 BMA B O4 1 HETATM 3149 O O5 . BMA N 5 . ? -68.624 -2.496 -20.858 1.00 136.02 ? 705 BMA B O5 1 HETATM 3150 O O6 . BMA N 5 . ? -69.040 -4.991 -19.667 1.00 137.19 ? 705 BMA B O6 1 HETATM 3151 C C1 . IBP O 6 . ? -44.235 15.902 -8.156 1.00 103.70 ? 706 IBP B C1 1 HETATM 3152 C C2 . IBP O 6 . ? -47.918 11.112 -5.821 1.00 88.85 ? 706 IBP B C2 1 HETATM 3153 C C3 . IBP O 6 . ? -47.909 10.831 -4.315 1.00 86.24 ? 706 IBP B C3 1 HETATM 3154 C C4 . IBP O 6 . ? -49.176 10.084 -3.911 1.00 85.08 ? 706 IBP B C4 1 HETATM 3155 C C5 . IBP O 6 . ? -46.682 10.032 -3.892 1.00 85.95 ? 706 IBP B C5 1 HETATM 3156 C C6 . IBP O 6 . ? -43.771 14.471 -8.168 1.00 99.72 ? 706 IBP B C6 1 HETATM 3157 C C7 . IBP O 6 . ? -42.421 14.278 -7.461 1.00 99.62 ? 706 IBP B C7 1 HETATM 3158 C C8 . IBP O 6 . ? -44.824 13.626 -7.545 1.00 96.86 ? 706 IBP B C8 1 HETATM 3159 C C9 . IBP O 6 . ? -45.595 12.771 -8.334 1.00 93.62 ? 706 IBP B C9 1 HETATM 3160 C C10 . IBP O 6 . ? -46.583 11.978 -7.746 1.00 93.60 ? 706 IBP B C10 1 HETATM 3161 C C11 . IBP O 6 . ? -46.823 12.020 -6.367 1.00 91.60 ? 706 IBP B C11 1 HETATM 3162 C C12 . IBP O 6 . ? -46.050 12.885 -5.581 1.00 94.55 ? 706 IBP B C12 1 HETATM 3163 C C13 . IBP O 6 . ? -45.061 13.677 -6.167 1.00 97.05 ? 706 IBP B C13 1 HETATM 3164 O O1 . IBP O 6 . ? -43.793 16.711 -7.307 1.00 107.63 ? 706 IBP B O1 1 HETATM 3165 O O2 . IBP O 6 . ? -45.075 16.228 -9.021 1.00 106.32 ? 706 IBP B O2 1 HETATM 3166 O O . HOH P 7 . ? -65.688 18.739 -23.802 1.00 45.24 ? 701 HOH A O 1 HETATM 3167 O O . HOH P 7 . ? -65.252 14.250 -2.427 1.00 60.55 ? 702 HOH A O 1 HETATM 3168 O O . HOH P 7 . ? -62.674 16.489 -34.751 1.00 46.07 ? 703 HOH A O 1 HETATM 3169 O O . HOH P 7 . ? -61.619 16.293 -32.037 1.00 48.76 ? 704 HOH A O 1 HETATM 3170 O O . HOH P 7 . ? -47.670 4.639 -18.469 1.00 47.97 ? 705 HOH A O 1 HETATM 3171 O O . HOH P 7 . ? -62.478 5.048 -45.043 1.00 68.22 ? 706 HOH A O 1 HETATM 3172 O O . HOH P 7 . ? -65.010 16.185 -38.027 1.00 57.96 ? 707 HOH A O 1 HETATM 3173 O O . HOH P 7 . ? -45.039 4.464 -14.511 1.00 47.36 ? 708 HOH A O 1 HETATM 3174 O O . HOH P 7 . ? -48.935 21.737 -24.215 1.00 42.96 ? 709 HOH A O 1 HETATM 3175 O O . HOH P 7 . ? -53.615 12.997 -32.758 1.00 52.21 ? 710 HOH A O 1 HETATM 3176 O O . HOH P 7 . ? -48.332 14.298 -37.457 1.00 65.15 ? 711 HOH A O 1 HETATM 3177 O O . HOH P 7 . ? -53.268 4.664 -14.324 1.00 43.44 ? 712 HOH A O 1 HETATM 3178 O O . HOH P 7 . ? -49.404 10.971 -17.583 1.00 44.73 ? 713 HOH A O 1 HETATM 3179 O O . HOH P 7 . ? -54.994 14.337 -41.668 1.00 52.93 ? 714 HOH A O 1 HETATM 3180 O O . HOH P 7 . ? -48.472 2.563 -16.594 1.00 52.26 ? 715 HOH A O 1 HETATM 3181 O O . HOH P 7 . ? -39.190 6.611 -35.080 1.00 67.56 ? 716 HOH A O 1 HETATM 3182 O O . HOH P 7 . ? -59.758 12.629 -13.870 1.00 43.26 ? 717 HOH A O 1 HETATM 3183 O O . HOH P 7 . ? -58.443 24.029 -32.984 1.00 56.35 ? 718 HOH A O 1 HETATM 3184 O O . HOH P 7 . ? -51.097 -1.690 -32.743 1.00 56.09 ? 719 HOH A O 1 HETATM 3185 O O . HOH P 7 . ? -43.682 17.875 -26.277 1.00 55.40 ? 720 HOH A O 1 HETATM 3186 O O . HOH P 7 . ? -48.041 25.451 -29.956 1.00 53.07 ? 721 HOH A O 1 HETATM 3187 O O . HOH P 7 . ? -69.726 21.194 -31.725 1.00 56.09 ? 722 HOH A O 1 HETATM 3188 O O . HOH P 7 . ? -63.441 12.846 -23.592 1.00 49.58 ? 723 HOH A O 1 HETATM 3189 O O . HOH P 7 . ? -43.781 2.255 -39.336 1.00 54.89 ? 724 HOH A O 1 HETATM 3190 O O . HOH P 7 . ? -49.316 -2.572 -30.590 1.00 53.00 ? 725 HOH A O 1 HETATM 3191 O O . HOH P 7 . ? -51.767 20.377 -35.338 1.00 43.38 ? 726 HOH A O 1 HETATM 3192 O O . HOH P 7 . ? -45.499 25.518 -28.404 1.00 55.28 ? 727 HOH A O 1 HETATM 3193 O O . HOH P 7 . ? -67.508 7.914 -34.197 1.00 49.70 ? 728 HOH A O 1 HETATM 3194 O O . HOH P 7 . ? -42.696 2.933 -20.342 1.00 58.96 ? 729 HOH A O 1 HETATM 3195 O O . HOH P 7 . ? -46.976 16.012 -31.245 1.00 43.10 ? 730 HOH A O 1 HETATM 3196 O O . HOH P 7 . ? -59.300 -2.764 -23.023 1.00 55.31 ? 731 HOH A O 1 HETATM 3197 O O . HOH P 7 . ? -49.815 24.017 -31.566 1.00 62.15 ? 732 HOH A O 1 HETATM 3198 O O . HOH P 7 . ? -73.649 14.312 -32.921 1.00 54.37 ? 733 HOH A O 1 HETATM 3199 O O . HOH P 7 . ? -64.670 21.716 -6.480 1.00 60.66 ? 734 HOH A O 1 HETATM 3200 O O . HOH P 7 . ? -46.164 18.850 -30.729 1.00 61.75 ? 735 HOH A O 1 HETATM 3201 O O . HOH P 7 . ? -51.955 16.311 5.110 1.00 55.30 ? 736 HOH A O 1 HETATM 3202 O O . HOH P 7 . ? -61.754 22.096 10.242 1.00 56.99 ? 737 HOH A O 1 HETATM 3203 O O . HOH P 7 . ? -76.175 14.016 -30.988 1.00 78.73 ? 738 HOH A O 1 HETATM 3204 O O . HOH P 7 . ? -69.222 23.408 -30.116 1.00 61.07 ? 739 HOH A O 1 HETATM 3205 O O . HOH P 7 . ? -60.440 23.313 -30.937 1.00 55.40 ? 740 HOH A O 1 HETATM 3206 O O . HOH Q 7 . ? -54.887 23.526 9.560 1.00 79.24 ? 801 HOH B O 1 HETATM 3207 O O . HOH Q 7 . ? -37.524 21.921 -14.858 1.00 54.15 ? 802 HOH B O 1 HETATM 3208 O O . HOH Q 7 . ? -62.653 27.033 -15.389 1.00 41.89 ? 803 HOH B O 1 HETATM 3209 O O . HOH Q 7 . ? -58.180 13.697 -7.020 1.00 45.00 ? 804 HOH B O 1 HETATM 3210 O O . HOH Q 7 . ? -67.017 29.100 -23.232 1.00 44.82 ? 805 HOH B O 1 HETATM 3211 O O . HOH Q 7 . ? -61.814 24.496 -19.186 1.00 45.32 ? 806 HOH B O 1 HETATM 3212 O O . HOH Q 7 . ? -62.607 3.631 -3.394 1.00 51.99 ? 807 HOH B O 1 HETATM 3213 O O . HOH Q 7 . ? -69.058 31.212 -16.738 1.00 64.64 ? 808 HOH B O 1 HETATM 3214 O O . HOH Q 7 . ? -66.647 17.822 -19.568 1.00 46.59 ? 809 HOH B O 1 HETATM 3215 O O . HOH Q 7 . ? -66.126 5.091 -17.645 1.00 50.45 ? 810 HOH B O 1 HETATM 3216 O O . HOH Q 7 . ? -57.842 4.312 1.600 1.00 81.98 ? 811 HOH B O 1 HETATM 3217 O O . HOH Q 7 . ? -61.403 3.307 -18.710 1.00 51.16 ? 812 HOH B O 1 HETATM 3218 O O . HOH Q 7 . ? -35.093 28.300 -23.008 1.00 46.45 ? 813 HOH B O 1 HETATM 3219 O O . HOH Q 7 . ? -42.531 21.753 -23.103 1.00 52.42 ? 814 HOH B O 1 HETATM 3220 O O . HOH Q 7 . ? -49.643 -5.348 -9.901 1.00 61.75 ? 815 HOH B O 1 HETATM 3221 O O . HOH Q 7 . ? -55.814 5.933 -13.502 1.00 48.61 ? 816 HOH B O 1 HETATM 3222 O O . HOH Q 7 . ? -61.309 30.471 -12.754 1.00 46.85 ? 817 HOH B O 1 HETATM 3223 O O . HOH Q 7 . ? -59.251 5.048 -15.595 1.00 59.58 ? 818 HOH B O 1 HETATM 3224 O O . HOH Q 7 . ? -40.341 5.066 -3.992 1.00 62.71 ? 819 HOH B O 1 HETATM 3225 O O . HOH Q 7 . ? -70.176 18.022 -21.527 1.00 46.13 ? 820 HOH B O 1 HETATM 3226 O O . HOH Q 7 . ? -53.014 3.780 -0.116 1.00 51.22 ? 821 HOH B O 1 HETATM 3227 O O . HOH Q 7 . ? -33.229 21.332 -25.114 1.00 60.65 ? 822 HOH B O 1 HETATM 3228 O O . HOH Q 7 . ? -29.034 30.272 -28.735 1.00 62.03 ? 823 HOH B O 1 HETATM 3229 O O . HOH Q 7 . ? -64.725 9.949 -4.798 1.00 71.91 ? 824 HOH B O 1 HETATM 3230 O O . HOH Q 7 . ? -55.428 2.919 -0.952 1.00 66.01 ? 825 HOH B O 1 HETATM 3231 O O . HOH Q 7 . ? -57.620 27.622 -26.774 1.00 54.18 ? 826 HOH B O 1 HETATM 3232 O O . HOH Q 7 . ? -26.304 34.333 -14.878 1.00 73.96 ? 827 HOH B O 1 HETATM 3233 O O . HOH Q 7 . ? -25.288 34.046 -29.503 1.00 66.56 ? 828 HOH B O 1 HETATM 3234 O O . HOH Q 7 . ? -61.679 31.461 -21.668 1.00 50.77 ? 829 HOH B O 1 HETATM 3235 O O . HOH Q 7 . ? -65.423 29.102 10.422 1.00 64.47 ? 830 HOH B O 1 HETATM 3236 O O . HOH Q 7 . ? -56.007 31.608 -9.989 1.00 46.16 ? 831 HOH B O 1 HETATM 3237 O O . HOH Q 7 . ? -51.677 27.006 -12.689 1.00 60.35 ? 832 HOH B O 1 HETATM 3238 O O . HOH Q 7 . ? -55.321 30.565 -12.572 1.00 57.77 ? 833 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 ? 0.8962 0.8611 0.7487 -0.0594 0.0736 -0.0224 32 SER A N 2 C CA . SER A 5 ? 0.8792 0.8379 0.7248 -0.0537 0.0659 -0.0196 32 SER A CA 3 C C . SER A 5 ? 0.8376 0.7889 0.6790 -0.0535 0.0602 -0.0148 32 SER A C 4 O O . SER A 5 ? 0.8380 0.7838 0.6759 -0.0575 0.0630 -0.0127 32 SER A O 5 C CB . SER A 5 ? 0.9039 0.8535 0.7342 -0.0533 0.0680 -0.0186 32 SER A CB 6 O OG . SER A 5 ? 0.9495 0.8958 0.7757 -0.0487 0.0609 -0.0176 32 SER A OG 7 N N . ILE A 6 ? 0.7951 0.7456 0.6368 -0.0489 0.0529 -0.0132 33 ILE A N 8 C CA . ILE A 6 ? 0.7711 0.7155 0.6091 -0.0479 0.0478 -0.0087 33 ILE A CA 9 C C . ILE A 6 ? 0.7726 0.7058 0.5951 -0.0486 0.0484 -0.0045 33 ILE A C 10 O O . ILE A 6 ? 0.7599 0.6906 0.5746 -0.0473 0.0471 -0.0045 33 ILE A O 11 C CB . ILE A 6 ? 0.7504 0.6975 0.5928 -0.0434 0.0408 -0.0082 33 ILE A CB 12 C CG1 . ILE A 6 ? 0.7313 0.6873 0.5867 -0.0418 0.0397 -0.0114 33 ILE A CG1 13 C CG2 . ILE A 6 ? 0.7441 0.6857 0.5824 -0.0419 0.0364 -0.0035 33 ILE A CG2 14 C CD1 . ILE A 6 ? 0.7251 0.6825 0.5835 -0.0376 0.0346 -0.0115 33 ILE A CD1 15 N N . PRO A 7 ? 0.7833 0.7088 0.6002 -0.0504 0.0501 -0.0010 34 PRO A N 16 C CA . PRO A 7 ? 0.8068 0.7205 0.6074 -0.0498 0.0500 0.0036 34 PRO A CA 17 C C . PRO A 7 ? 0.8087 0.7221 0.6056 -0.0448 0.0419 0.0063 34 PRO A C 18 O O . PRO A 7 ? 0.8012 0.7209 0.6078 -0.0423 0.0369 0.0061 34 PRO A O 19 C CB . PRO A 7 ? 0.8194 0.7246 0.6167 -0.0514 0.0526 0.0067 34 PRO A CB 20 C CG . PRO A 7 ? 0.8191 0.7316 0.6295 -0.0555 0.0565 0.0024 34 PRO A CG 21 C CD . PRO A 7 ? 0.7938 0.7198 0.6176 -0.0529 0.0521 -0.0014 34 PRO A CD 22 N N . LEU A 8 ? 0.8301 0.7362 0.6124 -0.0439 0.0409 0.0089 35 LEU A N 23 C CA . LEU A 8 ? 0.8363 0.7434 0.6146 -0.0398 0.0329 0.0111 35 LEU A CA 24 C C . LEU A 8 ? 0.8531 0.7493 0.6154 -0.0373 0.0316 0.0166 35 LEU A C 25 O O . LEU A 8 ? 0.8787 0.7661 0.6263 -0.0388 0.0354 0.0176 35 LEU A O 26 C CB . LEU A 8 ? 0.8408 0.7514 0.6166 -0.0407 0.0313 0.0073 35 LEU A CB 27 C CG . LEU A 8 ? 0.8488 0.7633 0.6236 -0.0382 0.0227 0.0076 35 LEU A CG 28 C CD1 . LEU A 8 ? 0.8345 0.7581 0.6252 -0.0368 0.0185 0.0069 35 LEU A CD1 29 C CD2 . LEU A 8 ? 0.8693 0.7836 0.6383 -0.0402 0.0230 0.0031 35 LEU A CD2 30 N N . GLY A 9 ? 0.8600 0.7564 0.6247 -0.0329 0.0265 0.0204 36 GLY A N 31 C CA . GLY A 9 ? 0.8792 0.7654 0.6294 -0.0285 0.0243 0.0262 36 GLY A CA 32 C C . GLY A 9 ? 0.8921 0.7796 0.6318 -0.0257 0.0175 0.0272 36 GLY A C 33 O O . GLY A 9 ? 0.8837 0.7822 0.6315 -0.0263 0.0122 0.0237 36 GLY A O 34 N N . VAL A 10 ? 0.9154 0.7905 0.6360 -0.0230 0.0176 0.0317 37 VAL A N 35 C CA . VAL A 10 ? 0.9294 0.8049 0.6375 -0.0197 0.0100 0.0330 37 VAL A CA 36 C C . VAL A 10 ? 0.9520 0.8136 0.6413 -0.0135 0.0086 0.0400 37 VAL A C 37 O O . VAL A 10 ? 0.9665 0.8138 0.6470 -0.0142 0.0164 0.0432 37 VAL A O 38 C CB . VAL A 10 ? 0.9489 0.8222 0.6477 -0.0249 0.0132 0.0286 37 VAL A CB 39 C CG1 . VAL A 10 ? 0.9642 0.8216 0.6467 -0.0279 0.0235 0.0304 37 VAL A CG1 40 C CG2 . VAL A 10 ? 0.9718 0.8485 0.6603 -0.0224 0.0038 0.0281 37 VAL A CG2 41 N N . ILE A 11 ? 0.9678 0.8339 0.6511 -0.0073 -0.0014 0.0424 38 ILE A N 42 C CA . ILE A 11 ? 0.9941 0.8483 0.6598 0.0007 -0.0047 0.0496 38 ILE A CA 43 C C . ILE A 11 ? 1.0238 0.8651 0.6631 0.0009 -0.0049 0.0514 38 ILE A C 44 O O . ILE A 11 ? 1.0248 0.8741 0.6600 0.0013 -0.0129 0.0489 38 ILE A O 45 C CB . ILE A 11 ? 0.9887 0.8571 0.6647 0.0090 -0.0164 0.0515 38 ILE A CB 46 C CG1 . ILE A 11 ? 0.9700 0.8476 0.6688 0.0095 -0.0144 0.0506 38 ILE A CG1 47 C CG2 . ILE A 11 ? 1.0144 0.8709 0.6708 0.0191 -0.0210 0.0591 38 ILE A CG2 48 C CD1 . ILE A 11 ? 0.9669 0.8632 0.6815 0.0156 -0.0244 0.0507 38 ILE A CD1 49 N N . HIS A 12 ? 1.0573 0.8778 0.6782 0.0000 0.0043 0.0554 39 HIS A N 50 C CA . HIS A 12 ? 1.0891 0.8931 0.6816 0.0000 0.0066 0.0580 39 HIS A CA 51 C C . HIS A 12 ? 1.0956 0.8777 0.6671 0.0067 0.0094 0.0667 39 HIS A C 52 O O . HIS A 12 ? 1.0804 0.8540 0.6569 0.0056 0.0170 0.0688 39 HIS A O 53 C CB . HIS A 12 ? 1.1144 0.9132 0.7048 -0.0102 0.0188 0.0533 39 HIS A CB 54 C CG . HIS A 12 ? 1.1880 0.9697 0.7492 -0.0112 0.0231 0.0553 39 HIS A CG 55 N ND1 . HIS A 12 ? 1.2170 1.0013 0.7647 -0.0091 0.0151 0.0539 39 HIS A ND1 56 C CD2 . HIS A 12 ? 1.2269 0.9878 0.7687 -0.0147 0.0351 0.0586 39 HIS A CD2 57 C CE1 . HIS A 12 ? 1.2512 1.0167 0.7714 -0.0105 0.0218 0.0563 39 HIS A CE1 58 N NE2 . HIS A 12 ? 1.2646 1.0156 0.7810 -0.0140 0.0345 0.0594 39 HIS A NE2 59 N N . ASN A 13 ? 1.1170 0.8892 0.6639 0.0137 0.0030 0.0716 40 ASN A N 60 C CA . ASN A 13 ? 1.1394 0.8881 0.6617 0.0218 0.0046 0.0807 40 ASN A CA 61 C C . ASN A 13 ? 1.1264 0.8764 0.6613 0.0296 0.0018 0.0847 40 ASN A C 62 O O . ASN A 13 ? 1.1431 0.8727 0.6682 0.0305 0.0105 0.0895 40 ASN A O 63 C CB . ASN A 13 ? 1.1632 0.8867 0.6656 0.0145 0.0203 0.0828 40 ASN A CB 64 C CG . ASN A 13 ? 1.1988 0.9158 0.6808 0.0096 0.0234 0.0808 40 ASN A CG 65 O OD1 . ASN A 13 ? 1.2224 0.9460 0.6949 0.0143 0.0126 0.0803 40 ASN A OD1 66 N ND2 . ASN A 13 ? 1.2172 0.9212 0.6919 0.0000 0.0383 0.0794 40 ASN A ND2 67 N N . SER A 14 ? 1.0928 0.8663 0.6490 0.0349 -0.0097 0.0824 41 SER A N 68 C CA . SER A 14 ? 1.0830 0.8613 0.6535 0.0431 -0.0131 0.0854 41 SER A CA 69 C C . SER A 14 ? 1.0756 0.8465 0.6581 0.0366 -0.0009 0.0840 41 SER A C 70 O O . SER A 14 ? 1.0964 0.8528 0.6738 0.0424 0.0025 0.0890 41 SER A O 71 C CB . SER A 14 ? 1.1164 0.8783 0.6637 0.0571 -0.0185 0.0946 41 SER A CB 72 O OG . SER A 14 ? 1.1196 0.8957 0.6632 0.0651 -0.0330 0.0953 41 SER A OG 73 N N . ALA A 15 ? 1.0523 0.8326 0.6499 0.0247 0.0053 0.0769 42 ALA A N 74 C CA . ALA A 15 ? 1.0402 0.8162 0.6502 0.0173 0.0160 0.0743 42 ALA A CA 75 C C . ALA A 15 ? 1.0163 0.8129 0.6504 0.0078 0.0173 0.0658 42 ALA A C 76 O O . ALA A 15 ? 1.0186 0.8234 0.6521 0.0034 0.0155 0.0619 42 ALA A O 77 C CB . ALA A 15 ? 1.0561 0.8064 0.6448 0.0115 0.0285 0.0770 42 ALA A CB 78 N N . LEU A 16 ? 0.9910 0.7945 0.6448 0.0052 0.0204 0.0629 43 LEU A N 79 C CA . LEU A 16 ? 0.9683 0.7878 0.6424 -0.0034 0.0228 0.0555 43 LEU A CA 80 C C . LEU A 16 ? 0.9919 0.8009 0.6591 -0.0131 0.0342 0.0530 43 LEU A C 81 O O . LEU A 16 ? 0.9872 0.7778 0.6424 -0.0148 0.0421 0.0562 43 LEU A O 82 C CB . LEU A 16 ? 0.9350 0.7644 0.6303 -0.0029 0.0225 0.0533 43 LEU A CB 83 C CG . LEU A 16 ? 0.8983 0.7463 0.6151 -0.0093 0.0222 0.0462 43 LEU A CG 84 C CD1 . LEU A 16 ? 0.8812 0.7465 0.6060 -0.0068 0.0127 0.0442 43 LEU A CD1 85 C CD2 . LEU A 16 ? 0.8889 0.7409 0.6213 -0.0093 0.0242 0.0447 43 LEU A CD2 86 N N . GLN A 17 ? 1.0212 0.8417 0.6959 -0.0194 0.0352 0.0473 44 GLN A N 87 C CA . GLN A 17 ? 1.0621 0.8777 0.7344 -0.0286 0.0459 0.0438 44 GLN A CA 88 C C . GLN A 17 ? 1.0536 0.8876 0.7482 -0.0340 0.0465 0.0364 44 GLN A C 89 O O . GLN A 17 ? 1.0231 0.8714 0.7285 -0.0314 0.0387 0.0339 44 GLN A O 90 C CB . GLN A 17 ? 1.1104 0.9173 0.7620 -0.0295 0.0477 0.0449 44 GLN A CB 91 C CG . GLN A 17 ? 1.1725 0.9610 0.7990 -0.0227 0.0454 0.0527 44 GLN A CG 92 C CD . GLN A 17 ? 1.2377 1.0108 0.8397 -0.0257 0.0521 0.0543 44 GLN A CD 93 O OE1 . GLN A 17 ? 1.2572 1.0370 0.8600 -0.0308 0.0547 0.0494 44 GLN A OE1 94 N NE2 . GLN A 17 ? 1.2969 1.0478 0.8755 -0.0223 0.0553 0.0614 44 GLN A NE2 95 N N . VAL A 18 ? 1.0925 0.9258 0.7936 -0.0414 0.0558 0.0329 45 VAL A N 96 C CA . VAL A 18 ? 1.0980 0.9476 0.8177 -0.0460 0.0572 0.0260 45 VAL A CA 97 C C . VAL A 18 ? 1.1150 0.9651 0.8261 -0.0485 0.0602 0.0235 45 VAL A C 98 O O . VAL A 18 ? 1.1386 0.9759 0.8331 -0.0513 0.0673 0.0255 45 VAL A O 99 C CB . VAL A 18 ? 1.1137 0.9647 0.8442 -0.0532 0.0660 0.0224 45 VAL A CB 100 C CG1 . VAL A 18 ? 1.1104 0.9797 0.8602 -0.0559 0.0658 0.0156 45 VAL A CG1 101 C CG2 . VAL A 18 ? 1.1146 0.9609 0.8498 -0.0522 0.0652 0.0246 45 VAL A CG2 102 N N . SER A 19 ? 1.1390 1.0026 0.8604 -0.0476 0.0555 0.0191 46 SER A N 103 C CA . SER A 19 ? 1.1807 1.0467 0.8985 -0.0508 0.0602 0.0148 46 SER A CA 104 C C . SER A 19 ? 1.1763 1.0583 0.9135 -0.0505 0.0568 0.0090 46 SER A C 105 O O . SER A 19 ? 1.1628 1.0531 0.9165 -0.0502 0.0548 0.0079 46 SER A O 106 C CB . SER A 19 ? 1.2077 1.0648 0.9043 -0.0480 0.0568 0.0172 46 SER A CB 107 O OG . SER A 19 ? 1.2276 1.0932 0.9285 -0.0441 0.0464 0.0158 46 SER A OG 108 N N . ASP A 20 ? 1.1902 1.0749 0.9238 -0.0505 0.0566 0.0053 47 ASP A N 109 C CA . ASP A 20 ? 1.1835 1.0799 0.9313 -0.0493 0.0526 0.0005 47 ASP A CA 110 C C . ASP A 20 ? 1.2098 1.1028 0.9450 -0.0483 0.0497 -0.0014 47 ASP A C 111 O O . ASP A 20 ? 1.2157 1.0986 0.9320 -0.0486 0.0511 0.0006 47 ASP A O 112 C CB . ASP A 20 ? 1.1769 1.0818 0.9391 -0.0519 0.0601 -0.0043 47 ASP A CB 113 C CG . ASP A 20 ? 1.1537 1.0699 0.9333 -0.0495 0.0555 -0.0078 47 ASP A CG 114 O OD1 . ASP A 20 ? 1.1426 1.0671 0.9354 -0.0504 0.0599 -0.0113 47 ASP A OD1 115 O OD2 . ASP A 20 ? 1.1330 1.0501 0.9130 -0.0468 0.0477 -0.0073 47 ASP A OD2 116 N N . VAL A 21 ? 1.2269 1.1270 0.9711 -0.0471 0.0456 -0.0055 48 VAL A N 117 C CA . VAL A 21 ? 1.2441 1.1410 0.9777 -0.0470 0.0433 -0.0089 48 VAL A CA 118 C C . VAL A 21 ? 1.2702 1.1603 0.9909 -0.0488 0.0523 -0.0118 48 VAL A C 119 O O . VAL A 21 ? 1.2674 1.1502 0.9715 -0.0490 0.0507 -0.0131 48 VAL A O 120 C CB . VAL A 21 ? 1.2323 1.1362 0.9789 -0.0461 0.0398 -0.0134 48 VAL A CB 121 C CG1 . VAL A 21 ? 1.2099 1.1196 0.9666 -0.0448 0.0311 -0.0108 48 VAL A CG1 122 C CG2 . VAL A 21 ? 1.2199 1.1299 0.9803 -0.0458 0.0469 -0.0170 48 VAL A CG2 123 N N . ASP A 22 ? 1.2944 1.1877 1.0229 -0.0505 0.0617 -0.0131 49 ASP A N 124 C CA . ASP A 22 ? 1.3256 1.2140 1.0439 -0.0526 0.0722 -0.0157 49 ASP A CA 125 C C . ASP A 22 ? 1.3554 1.2311 1.0530 -0.0547 0.0762 -0.0110 49 ASP A C 126 O O . ASP A 22 ? 1.3983 1.2660 1.0796 -0.0559 0.0824 -0.0126 49 ASP A O 127 C CB . ASP A 22 ? 1.3024 1.2015 1.0389 -0.0537 0.0809 -0.0194 49 ASP A CB 128 C CG . ASP A 22 ? 1.2916 1.1926 1.0345 -0.0573 0.0860 -0.0163 49 ASP A CG 129 O OD1 . ASP A 22 ? 1.3130 1.2078 1.0457 -0.0610 0.0952 -0.0155 49 ASP A OD1 130 O OD2 . ASP A 22 ? 1.2717 1.1797 1.0293 -0.0568 0.0815 -0.0149 49 ASP A OD2 131 N N . LYS A 23 ? 1.3475 1.2201 1.0444 -0.0548 0.0730 -0.0052 50 LYS A N 132 C CA . LYS A 23 ? 1.3621 1.2207 1.0392 -0.0564 0.0773 0.0000 50 LYS A CA 133 C C . LYS A 23 ? 1.3548 1.2030 1.0106 -0.0529 0.0685 0.0041 50 LYS A C 134 O O . LYS A 23 ? 1.4035 1.2381 1.0398 -0.0529 0.0712 0.0091 50 LYS A O 135 C CB . LYS A 23 ? 1.3552 1.2135 1.0410 -0.0582 0.0798 0.0040 50 LYS A CB 136 C CG . LYS A 23 ? 1.3407 1.2100 1.0469 -0.0623 0.0881 -0.0001 50 LYS A CG 137 C CD . LYS A 23 ? 1.3527 1.2235 1.0702 -0.0639 0.0875 0.0027 50 LYS A CD 138 C CE . LYS A 23 ? 1.3428 1.2293 1.0846 -0.0667 0.0912 -0.0025 50 LYS A CE 139 N NZ . LYS A 23 ? 1.3176 1.2085 1.0725 -0.0658 0.0854 -0.0008 50 LYS A NZ 140 N N . LEU A 24 ? 1.3108 1.1647 0.9695 -0.0500 0.0580 0.0020 51 LEU A N 141 C CA . LEU A 24 ? 1.3112 1.1586 0.9522 -0.0467 0.0481 0.0053 51 LEU A CA 142 C C . LEU A 24 ? 1.3248 1.1606 0.9404 -0.0474 0.0506 0.0036 51 LEU A C 143 O O . LEU A 24 ? 1.3344 1.1689 0.9479 -0.0502 0.0593 -0.0012 51 LEU A O 144 C CB . LEU A 24 ? 1.2950 1.1540 0.9495 -0.0445 0.0360 0.0033 51 LEU A CB 145 C CG . LEU A 24 ? 1.2798 1.1490 0.9560 -0.0429 0.0320 0.0056 51 LEU A CG 146 C CD1 . LEU A 24 ? 1.2527 1.1328 0.9406 -0.0416 0.0214 0.0033 51 LEU A CD1 147 C CD2 . LEU A 24 ? 1.2843 1.1471 0.9542 -0.0399 0.0307 0.0130 51 LEU A CD2 148 N N . VAL A 25 ? 1.3152 1.1429 0.9112 -0.0442 0.0428 0.0079 52 VAL A N 149 C CA . VAL A 25 ? 1.3160 1.1324 0.8850 -0.0440 0.0421 0.0066 52 VAL A CA 150 C C . VAL A 25 ? 1.2727 1.0960 0.8409 -0.0422 0.0279 0.0037 52 VAL A C 151 O O . VAL A 25 ? 1.2260 1.0605 0.8101 -0.0400 0.0183 0.0051 52 VAL A O 152 C CB . VAL A 25 ? 1.3596 1.1588 0.9018 -0.0417 0.0443 0.0140 52 VAL A CB 153 C CG1 . VAL A 25 ? 1.3729 1.1639 0.9143 -0.0455 0.0600 0.0160 52 VAL A CG1 154 C CG2 . VAL A 25 ? 1.3548 1.1550 0.8969 -0.0359 0.0330 0.0208 52 VAL A CG2 155 N N . CYS A 26 ? 1.2754 1.0918 0.8245 -0.0434 0.0271 -0.0006 53 CYS A N 156 C CA . CYS A 26 ? 1.2757 1.0980 0.8230 -0.0435 0.0145 -0.0052 53 CYS A CA 157 C C . CYS A 26 ? 1.2825 1.1114 0.8296 -0.0394 -0.0002 -0.0007 53 CYS A C 158 O O . CYS A 26 ? 1.2536 1.0944 0.8126 -0.0403 -0.0106 -0.0044 53 CYS A O 159 C CB . CYS A 26 ? 1.3026 1.1126 0.8233 -0.0453 0.0167 -0.0099 53 CYS A CB 160 S SG . CYS A 26 ? 1.3081 1.1142 0.8334 -0.0494 0.0330 -0.0170 53 CYS A SG 161 N N . ARG A 27 ? 1.3208 1.1417 0.8546 -0.0347 -0.0008 0.0071 54 ARG A N 162 C CA . ARG A 27 ? 1.3382 1.1658 0.8731 -0.0289 -0.0141 0.0123 54 ARG A CA 163 C C . ARG A 27 ? 1.2728 1.1181 0.8400 -0.0283 -0.0184 0.0125 54 ARG A C 164 O O . ARG A 27 ? 1.2402 1.0980 0.8157 -0.0257 -0.0309 0.0126 54 ARG A O 165 C CB . ARG A 27 ? 1.4040 1.2163 0.9177 -0.0233 -0.0114 0.0213 54 ARG A CB 166 C CG . ARG A 27 ? 1.4537 1.2710 0.9652 -0.0152 -0.0251 0.0274 54 ARG A CG 167 C CD . ARG A 27 ? 1.5135 1.3111 0.9946 -0.0089 -0.0238 0.0357 54 ARG A CD 168 N NE . ARG A 27 ? 1.5678 1.3577 1.0200 -0.0072 -0.0312 0.0345 54 ARG A NE 169 C CZ . ARG A 27 ? 1.6162 1.3853 1.0371 -0.0081 -0.0234 0.0359 54 ARG A CZ 170 N NH1 . ARG A 27 ? 1.6467 1.4108 1.0421 -0.0062 -0.0324 0.0342 54 ARG A NH1 171 N NH2 . ARG A 27 ? 1.6295 1.3828 1.0433 -0.0112 -0.0069 0.0388 54 ARG A NH2 172 N N . ASP A 28 ? 1.2338 1.0808 0.8188 -0.0309 -0.0081 0.0123 55 ASP A N 173 C CA . ASP A 28 ? 1.1950 1.0572 0.8092 -0.0309 -0.0107 0.0119 55 ASP A CA 174 C C . ASP A 28 ? 1.1555 1.0302 0.7835 -0.0350 -0.0168 0.0045 55 ASP A C 175 O O . ASP A 28 ? 1.1606 1.0317 0.7854 -0.0395 -0.0117 -0.0013 55 ASP A O 176 C CB . ASP A 28 ? 1.1925 1.0530 0.8204 -0.0332 0.0016 0.0125 55 ASP A CB 177 C CG . ASP A 28 ? 1.2171 1.0659 0.8352 -0.0301 0.0075 0.0198 55 ASP A CG 178 O OD1 . ASP A 28 ? 1.2316 1.0844 0.8601 -0.0263 0.0042 0.0243 55 ASP A OD1 179 O OD2 . ASP A 28 ? 1.2520 1.0867 0.8515 -0.0318 0.0161 0.0209 55 ASP A OD2 180 N N . LYS A 29 ? 1.1066 0.9954 0.7496 -0.0333 -0.0270 0.0050 56 LYS A N 181 C CA . LYS A 29 ? 1.0845 0.9845 0.7386 -0.0377 -0.0338 -0.0015 56 LYS A CA 182 C C . LYS A 29 ? 1.0253 0.9382 0.7075 -0.0390 -0.0332 -0.0022 56 LYS A C 183 O O . LYS A 29 ? 1.0187 0.9400 0.7125 -0.0348 -0.0370 0.0023 56 LYS A O 184 C CB . LYS A 29 ? 1.1193 1.0262 0.7649 -0.0357 -0.0476 -0.0015 56 LYS A CB 185 C CG . LYS A 29 ? 1.1468 1.0631 0.7991 -0.0421 -0.0547 -0.0095 56 LYS A CG 186 C CD . LYS A 29 ? 1.1930 1.1102 0.8268 -0.0418 -0.0663 -0.0115 56 LYS A CD 187 C CE . LYS A 29 ? 1.2143 1.1422 0.8571 -0.0493 -0.0740 -0.0198 56 LYS A CE 188 N NZ . LYS A 29 ? 1.2408 1.1709 0.8658 -0.0498 -0.0863 -0.0228 56 LYS A NZ 189 N N . LEU A 30 ? 0.9773 0.8903 0.6687 -0.0441 -0.0280 -0.0078 57 LEU A N 190 C CA . LEU A 30 ? 0.9249 0.8485 0.6400 -0.0461 -0.0279 -0.0094 57 LEU A CA 191 C C . LEU A 30 ? 0.9079 0.8364 0.6258 -0.0519 -0.0337 -0.0160 57 LEU A C 192 O O . LEU A 30 ? 0.9069 0.8281 0.6216 -0.0559 -0.0288 -0.0214 57 LEU A O 193 C CB . LEU A 30 ? 0.9032 0.8215 0.6261 -0.0468 -0.0167 -0.0101 57 LEU A CB 194 C CG . LEU A 30 ? 0.8733 0.7999 0.6178 -0.0484 -0.0156 -0.0114 57 LEU A CG 195 C CD1 . LEU A 30 ? 0.8539 0.7909 0.6118 -0.0451 -0.0200 -0.0065 57 LEU A CD1 196 C CD2 . LEU A 30 ? 0.8708 0.7920 0.6202 -0.0481 -0.0055 -0.0123 57 LEU A CD2 197 N N . SER A 31 ? 0.8857 0.8264 0.6096 -0.0522 -0.0441 -0.0159 58 SER A N 198 C CA . SER A 31 ? 0.8834 0.8295 0.6093 -0.0589 -0.0506 -0.0227 58 SER A CA 199 C C . SER A 31 ? 0.8429 0.7987 0.5913 -0.0632 -0.0500 -0.0248 58 SER A C 200 O O . SER A 31 ? 0.8378 0.7974 0.5895 -0.0700 -0.0542 -0.0306 58 SER A O 201 C CB . SER A 31 ? 0.9093 0.8647 0.6282 -0.0577 -0.0630 -0.0223 58 SER A CB 202 O OG . SER A 31 ? 0.9179 0.8871 0.6509 -0.0521 -0.0676 -0.0165 58 SER A OG 203 N N . SER A 32 ? 0.8145 0.7729 0.5770 -0.0596 -0.0443 -0.0203 59 SER A N 204 C CA . SER A 32 ? 0.7942 0.7607 0.5767 -0.0628 -0.0429 -0.0213 59 SER A CA 205 C C . SER A 32 ? 0.7721 0.7366 0.5642 -0.0582 -0.0349 -0.0166 59 SER A C 206 O O . SER A 32 ? 0.7544 0.7175 0.5430 -0.0521 -0.0334 -0.0115 59 SER A O 207 C CB . SER A 32 ? 0.7925 0.7771 0.5876 -0.0634 -0.0520 -0.0206 59 SER A CB 208 O OG . SER A 32 ? 0.7832 0.7762 0.5979 -0.0644 -0.0491 -0.0194 59 SER A OG 209 N N . THR A 33 ? 0.7641 0.7276 0.5674 -0.0611 -0.0301 -0.0184 60 THR A N 210 C CA . THR A 33 ? 0.7610 0.7242 0.5744 -0.0571 -0.0237 -0.0144 60 THR A CA 211 C C . THR A 33 ? 0.7599 0.7353 0.5855 -0.0531 -0.0267 -0.0094 60 THR A C 212 O O . THR A 33 ? 0.7509 0.7247 0.5806 -0.0486 -0.0222 -0.0056 60 THR A O 213 C CB . THR A 33 ? 0.7572 0.7155 0.5778 -0.0605 -0.0183 -0.0172 60 THR A CB 214 O OG1 . THR A 33 ? 0.7730 0.7362 0.5994 -0.0670 -0.0221 -0.0209 60 THR A OG1 215 C CG2 . THR A 33 ? 0.7680 0.7127 0.5776 -0.0607 -0.0128 -0.0205 60 THR A CG2 216 N N . ASN A 34 ? 0.7802 0.7680 0.6114 -0.0544 -0.0342 -0.0098 61 ASN A N 217 C CA . ASN A 34 ? 0.7886 0.7888 0.6299 -0.0490 -0.0377 -0.0050 61 ASN A CA 218 C C . ASN A 34 ? 0.7738 0.7686 0.6055 -0.0412 -0.0372 0.0003 61 ASN A C 219 O O . ASN A 34 ? 0.7776 0.7762 0.6166 -0.0358 -0.0360 0.0047 61 ASN A O 220 C CB . ASN A 34 ? 0.8262 0.8419 0.6732 -0.0510 -0.0473 -0.0069 61 ASN A CB 221 C CG . ASN A 34 ? 0.8541 0.8781 0.7146 -0.0593 -0.0475 -0.0117 61 ASN A CG 222 O OD1 . ASN A 34 ? 0.8729 0.8941 0.7421 -0.0613 -0.0407 -0.0116 61 ASN A OD1 223 N ND2 . ASN A 34 ? 0.8859 0.9200 0.7475 -0.0645 -0.0554 -0.0160 61 ASN A ND2 224 N N . GLN A 35 ? 0.7741 0.7588 0.5885 -0.0409 -0.0376 -0.0001 62 GLN A N 225 C CA . GLN A 35 ? 0.7736 0.7499 0.5762 -0.0345 -0.0357 0.0049 62 GLN A CA 226 C C . GLN A 35 ? 0.7598 0.7272 0.5645 -0.0330 -0.0264 0.0071 62 GLN A C 227 O O . GLN A 35 ? 0.7569 0.7188 0.5562 -0.0280 -0.0242 0.0117 62 GLN A O 228 C CB . GLN A 35 ? 0.7904 0.7566 0.5724 -0.0355 -0.0371 0.0035 62 GLN A CB 229 C CG . GLN A 35 ? 0.8021 0.7762 0.5780 -0.0353 -0.0477 0.0023 62 GLN A CG 230 C CD . GLN A 35 ? 0.8273 0.7898 0.5808 -0.0367 -0.0484 0.0004 62 GLN A CD 231 O OE1 . GLN A 35 ? 0.8414 0.8055 0.5900 -0.0420 -0.0529 -0.0050 62 GLN A OE1 232 N NE2 . GLN A 35 ? 0.8414 0.7910 0.5803 -0.0326 -0.0434 0.0046 62 GLN A NE2 233 N N . LEU A 36 ? 0.7512 0.7165 0.5628 -0.0372 -0.0212 0.0036 63 LEU A N 234 C CA . LEU A 36 ? 0.7460 0.7055 0.5614 -0.0360 -0.0134 0.0049 63 LEU A CA 235 C C . LEU A 36 ? 0.7375 0.7040 0.5672 -0.0334 -0.0130 0.0075 63 LEU A C 236 O O . LEU A 36 ? 0.7309 0.7063 0.5713 -0.0351 -0.0158 0.0062 63 LEU A O 237 C CB . LEU A 36 ? 0.7411 0.6953 0.5566 -0.0402 -0.0086 0.0002 63 LEU A CB 238 C CG . LEU A 36 ? 0.7560 0.7022 0.5568 -0.0423 -0.0075 -0.0027 63 LEU A CG 239 C CD1 . LEU A 36 ? 0.7589 0.7004 0.5606 -0.0453 -0.0030 -0.0076 63 LEU A CD1 240 C CD2 . LEU A 36 ? 0.7659 0.7047 0.5562 -0.0397 -0.0033 0.0001 63 LEU A CD2 241 N N . ARG A 37 ? 0.7451 0.7069 0.5741 -0.0296 -0.0091 0.0110 64 ARG A N 242 C CA . ARG A 37 ? 0.7498 0.7159 0.5898 -0.0265 -0.0078 0.0135 64 ARG A CA 243 C C . ARG A 37 ? 0.7207 0.6792 0.5606 -0.0260 -0.0012 0.0140 64 ARG A C 244 O O . ARG A 37 ? 0.7237 0.6738 0.5543 -0.0261 0.0018 0.0146 64 ARG A O 245 C CB . ARG A 37 ? 0.7908 0.7603 0.6300 -0.0206 -0.0117 0.0180 64 ARG A CB 246 C CG . ARG A 37 ? 0.8249 0.8074 0.6702 -0.0202 -0.0192 0.0175 64 ARG A CG 247 C CD . ARG A 37 ? 0.8328 0.8265 0.6948 -0.0214 -0.0189 0.0162 64 ARG A CD 248 N NE . ARG A 37 ? 0.8623 0.8656 0.7297 -0.0269 -0.0235 0.0123 64 ARG A NE 249 C CZ . ARG A 37 ? 0.8918 0.9055 0.7602 -0.0264 -0.0311 0.0119 64 ARG A CZ 250 N NH1 . ARG A 37 ? 0.9048 0.9210 0.7687 -0.0193 -0.0355 0.0159 64 ARG A NH1 251 N NH2 . ARG A 37 ? 0.9282 0.9498 0.8018 -0.0331 -0.0345 0.0074 64 ARG A NH2 252 N N . SER A 38 ? 0.6986 0.6602 0.5486 -0.0259 0.0008 0.0136 65 SER A N 253 C CA . SER A 38 ? 0.6912 0.6473 0.5421 -0.0247 0.0057 0.0142 65 SER A CA 254 C C . SER A 38 ? 0.6877 0.6459 0.5432 -0.0201 0.0053 0.0176 65 SER A C 255 O O . SER A 38 ? 0.6832 0.6497 0.5472 -0.0190 0.0030 0.0179 65 SER A O 256 C CB . SER A 38 ? 0.6757 0.6325 0.5325 -0.0273 0.0083 0.0110 65 SER A CB 257 O OG . SER A 38 ? 0.6639 0.6270 0.5283 -0.0280 0.0063 0.0104 65 SER A OG 258 N N . VAL A 39 ? 0.6793 0.6294 0.5291 -0.0176 0.0081 0.0198 66 VAL A N 259 C CA . VAL A 39 ? 0.6797 0.6290 0.5318 -0.0125 0.0086 0.0229 66 VAL A CA 260 C C . VAL A 39 ? 0.6715 0.6129 0.5227 -0.0132 0.0137 0.0220 66 VAL A C 261 O O . VAL A 39 ? 0.6654 0.5995 0.5106 -0.0164 0.0167 0.0207 66 VAL A O 262 C CB . VAL A 39 ? 0.6986 0.6430 0.5418 -0.0076 0.0066 0.0271 66 VAL A CB 263 C CG1 . VAL A 39 ? 0.7049 0.6504 0.5520 -0.0008 0.0064 0.0302 66 VAL A CG1 264 C CG2 . VAL A 39 ? 0.7079 0.6593 0.5493 -0.0078 0.0007 0.0272 66 VAL A CG2 265 N N . GLY A 40 ? 0.6674 0.6108 0.5247 -0.0105 0.0149 0.0224 67 GLY A N 266 C CA . GLY A 40 ? 0.6664 0.6017 0.5216 -0.0105 0.0192 0.0215 67 GLY A CA 267 C C . GLY A 40 ? 0.6770 0.6035 0.5261 -0.0053 0.0208 0.0248 67 GLY A C 268 O O . GLY A 40 ? 0.6718 0.6026 0.5239 0.0003 0.0190 0.0276 67 GLY A O 269 N N . LEU A 41 ? 0.6909 0.6052 0.5315 -0.0074 0.0244 0.0243 68 LEU A N 270 C CA . LEU A 41 ? 0.7122 0.6136 0.5442 -0.0030 0.0270 0.0273 68 LEU A CA 271 C C . LEU A 41 ? 0.7101 0.6034 0.5406 -0.0045 0.0312 0.0247 68 LEU A C 272 O O . LEU A 41 ? 0.7098 0.6031 0.5414 -0.0108 0.0325 0.0207 68 LEU A O 273 C CB . LEU A 41 ? 0.7303 0.6207 0.5505 -0.0050 0.0284 0.0291 68 LEU A CB 274 C CG . LEU A 41 ? 0.7395 0.6334 0.5558 -0.0024 0.0243 0.0324 68 LEU A CG 275 C CD1 . LEU A 41 ? 0.7433 0.6410 0.5611 0.0067 0.0206 0.0366 68 LEU A CD1 276 C CD2 . LEU A 41 ? 0.7305 0.6377 0.5539 -0.0069 0.0210 0.0295 68 LEU A CD2 277 N N . ASN A 42 ? 0.7164 0.6027 0.5441 0.0015 0.0331 0.0267 69 ASN A N 278 C CA . ASN A 42 ? 0.7213 0.5997 0.5468 0.0008 0.0368 0.0239 69 ASN A CA 279 C C . ASN A 42 ? 0.7385 0.5985 0.5517 -0.0024 0.0411 0.0232 69 ASN A C 280 O O . ASN A 42 ? 0.7480 0.5973 0.5525 0.0007 0.0424 0.0269 69 ASN A O 281 C CB . ASN A 42 ? 0.7202 0.5996 0.5485 0.0093 0.0378 0.0260 69 ASN A CB 282 C CG . ASN A 42 ? 0.7018 0.5997 0.5431 0.0114 0.0347 0.0265 69 ASN A CG 283 O OD1 . ASN A 42 ? 0.6851 0.5920 0.5322 0.0060 0.0328 0.0239 69 ASN A OD1 284 N ND2 . ASN A 42 ? 0.7039 0.6072 0.5499 0.0193 0.0344 0.0295 69 ASN A ND2 285 N N . LEU A 43 ? 0.7552 0.6112 0.5673 -0.0089 0.0432 0.0183 70 LEU A N 286 C CA . LEU A 43 ? 0.7853 0.6240 0.5865 -0.0139 0.0477 0.0164 70 LEU A CA 287 C C . LEU A 43 ? 0.8042 0.6248 0.5944 -0.0076 0.0516 0.0193 70 LEU A C 288 O O . LEU A 43 ? 0.8148 0.6185 0.5936 -0.0100 0.0554 0.0202 70 LEU A O 289 C CB . LEU A 43 ? 0.7957 0.6356 0.5991 -0.0213 0.0483 0.0098 70 LEU A CB 290 C CG . LEU A 43 ? 0.7926 0.6474 0.6052 -0.0282 0.0454 0.0060 70 LEU A CG 291 C CD1 . LEU A 43 ? 0.8031 0.6561 0.6154 -0.0351 0.0460 -0.0004 70 LEU A CD1 292 C CD2 . LEU A 43 ? 0.7973 0.6529 0.6092 -0.0324 0.0463 0.0073 70 LEU A CD2 293 N N . GLU A 44 ? 0.8084 0.6316 0.6015 0.0002 0.0513 0.0204 71 GLU A N 294 C CA . GLU A 44 ? 0.8365 0.6467 0.6218 0.0098 0.0540 0.0245 71 GLU A CA 295 C C . GLU A 44 ? 0.8356 0.6353 0.6117 0.0130 0.0545 0.0298 71 GLU A C 296 O O . GLU A 44 ? 0.8515 0.6298 0.6139 0.0144 0.0590 0.0310 71 GLU A O 297 C CB . GLU A 44 ? 0.8557 0.6809 0.6516 0.0190 0.0515 0.0270 71 GLU A CB 298 C CG . GLU A 44 ? 0.8810 0.7019 0.6762 0.0237 0.0551 0.0251 71 GLU A CG 299 C CD . GLU A 44 ? 0.8881 0.7273 0.6963 0.0308 0.0532 0.0270 71 GLU A CD 300 O OE1 . GLU A 44 ? 0.8849 0.7364 0.7007 0.0351 0.0494 0.0309 71 GLU A OE1 301 O OE2 . GLU A 44 ? 0.9089 0.7502 0.7194 0.0316 0.0557 0.0243 71 GLU A OE2 302 N N . GLY A 45 ? 0.8120 0.6258 0.5946 0.0142 0.0497 0.0327 72 GLY A N 303 C CA . GLY A 45 ? 0.8180 0.6241 0.5915 0.0185 0.0489 0.0382 72 GLY A CA 304 C C . GLY A 45 ? 0.8222 0.6110 0.5822 0.0107 0.0529 0.0381 72 GLY A C 305 O O . GLY A 45 ? 0.8374 0.6148 0.5859 0.0147 0.0534 0.0431 72 GLY A O 306 N N . ASN A 46 ? 0.8101 0.5980 0.5719 -0.0003 0.0557 0.0324 73 ASN A N 307 C CA . ASN A 46 ? 0.8225 0.5942 0.5731 -0.0096 0.0611 0.0309 73 ASN A CA 308 C C . ASN A 46 ? 0.8444 0.5932 0.5834 -0.0115 0.0674 0.0289 73 ASN A C 309 O O . ASN A 46 ? 0.8570 0.5908 0.5866 -0.0205 0.0728 0.0270 73 ASN A O 310 C CB . ASN A 46 ? 0.8085 0.5947 0.5695 -0.0210 0.0604 0.0251 73 ASN A CB 311 C CG . ASN A 46 ? 0.7980 0.6047 0.5692 -0.0199 0.0549 0.0263 73 ASN A CG 312 O OD1 . ASN A 46 ? 0.7987 0.6207 0.5812 -0.0258 0.0530 0.0218 73 ASN A OD1 313 N ND2 . ASN A 46 ? 0.8084 0.6151 0.5753 -0.0121 0.0522 0.0321 73 ASN A ND2 314 N N . GLY A 47 ? 0.8513 0.5972 0.5908 -0.0037 0.0673 0.0289 74 GLY A N 315 C CA . GLY A 47 ? 0.8745 0.5967 0.6012 -0.0038 0.0733 0.0271 74 GLY A CA 316 C C . GLY A 47 ? 0.8713 0.5942 0.6016 -0.0129 0.0748 0.0190 74 GLY A C 317 O O . GLY A 47 ? 0.8975 0.5990 0.6157 -0.0163 0.0802 0.0163 74 GLY A O 318 N N . VAL A 48 ? 0.8485 0.5944 0.5939 -0.0168 0.0700 0.0150 75 VAL A N 319 C CA . VAL A 48 ? 0.8484 0.5963 0.5966 -0.0249 0.0703 0.0073 75 VAL A CA 320 C C . VAL A 48 ? 0.8513 0.5905 0.5946 -0.0177 0.0718 0.0062 75 VAL A C 321 O O . VAL A 48 ? 0.8469 0.5880 0.5912 -0.0061 0.0713 0.0110 75 VAL A O 322 C CB . VAL A 48 ? 0.8274 0.6011 0.5916 -0.0298 0.0645 0.0037 75 VAL A CB 323 C CG1 . VAL A 48 ? 0.8257 0.6086 0.5951 -0.0356 0.0635 0.0049 75 VAL A CG1 324 C CG2 . VAL A 48 ? 0.8146 0.6043 0.5884 -0.0205 0.0602 0.0061 75 VAL A CG2 325 N N . ALA A 49 ? 0.8541 0.5846 0.5922 -0.0248 0.0738 -0.0005 76 ALA A N 326 C CA . ALA A 49 ? 0.8651 0.5873 0.5975 -0.0192 0.0754 -0.0028 76 ALA A CA 327 C C . ALA A 49 ? 0.8509 0.5958 0.5961 -0.0142 0.0705 -0.0029 76 ALA A C 328 O O . ALA A 49 ? 0.8311 0.5936 0.5863 -0.0205 0.0658 -0.0061 76 ALA A O 329 C CB . ALA A 49 ? 0.8809 0.5891 0.6040 -0.0295 0.0779 -0.0108 76 ALA A CB 330 N N . THR A 50 ? 0.8561 0.6004 0.6011 -0.0026 0.0720 0.0007 77 THR A N 331 C CA . THR A 50 ? 0.8436 0.6080 0.6002 0.0026 0.0687 0.0016 77 THR A CA 332 C C . THR A 50 ? 0.8492 0.6090 0.6004 0.0044 0.0707 -0.0027 77 THR A C 333 O O . THR A 50 ? 0.8406 0.6154 0.5997 0.0074 0.0687 -0.0024 77 THR A O 334 C CB . THR A 50 ? 0.8441 0.6163 0.6075 0.0140 0.0686 0.0088 77 THR A CB 335 O OG1 . THR A 50 ? 0.8660 0.6223 0.6204 0.0235 0.0741 0.0106 77 THR A OG1 336 C CG2 . THR A 50 ? 0.8382 0.6126 0.6038 0.0128 0.0665 0.0132 77 THR A CG2 337 N N . ASP A 51 ? 0.8708 0.6087 0.6073 0.0024 0.0752 -0.0067 78 ASP A N 338 C CA . ASP A 51 ? 0.8833 0.6143 0.6116 0.0030 0.0772 -0.0119 78 ASP A CA 339 C C . ASP A 51 ? 0.8691 0.6143 0.6021 -0.0053 0.0715 -0.0171 78 ASP A C 340 O O . ASP A 51 ? 0.8519 0.6044 0.5900 -0.0144 0.0672 -0.0193 78 ASP A O 341 C CB . ASP A 51 ? 0.9192 0.6220 0.6293 0.0006 0.0827 -0.0162 78 ASP A CB 342 C CG . ASP A 51 ? 0.9370 0.6325 0.6429 -0.0129 0.0810 -0.0210 78 ASP A CG 343 O OD1 . ASP A 51 ? 0.9518 0.6443 0.6595 -0.0151 0.0817 -0.0175 78 ASP A OD1 344 O OD2 . ASP A 51 ? 0.9471 0.6404 0.6480 -0.0216 0.0791 -0.0285 78 ASP A OD2 345 N N . VAL A 52 ? 0.8723 0.6208 0.6028 -0.0016 0.0717 -0.0191 79 VAL A N 346 C CA . VAL A 52 ? 0.8716 0.6339 0.6056 -0.0070 0.0659 -0.0228 79 VAL A CA 347 C C . VAL A 52 ? 0.8843 0.6426 0.6133 -0.0187 0.0619 -0.0301 79 VAL A C 348 O O . VAL A 52 ? 0.8784 0.6527 0.6166 -0.0241 0.0557 -0.0315 79 VAL A O 349 C CB . VAL A 52 ? 0.8771 0.6386 0.6046 -0.0012 0.0681 -0.0239 79 VAL A CB 350 C CG1 . VAL A 52 ? 0.8734 0.6438 0.5993 -0.0069 0.0618 -0.0286 79 VAL A CG1 351 C CG2 . VAL A 52 ? 0.8652 0.6388 0.6034 0.0081 0.0708 -0.0171 79 VAL A CG2 352 N N . PRO A 53 ? 0.9136 0.6510 0.6284 -0.0225 0.0654 -0.0352 80 PRO A N 353 C CA . PRO A 53 ? 0.9295 0.6643 0.6408 -0.0348 0.0616 -0.0429 80 PRO A CA 354 C C . PRO A 53 ? 0.9241 0.6684 0.6470 -0.0425 0.0592 -0.0419 80 PRO A C 355 O O . PRO A 53 ? 0.9257 0.6838 0.6558 -0.0506 0.0533 -0.0464 80 PRO A O 356 C CB . PRO A 53 ? 0.9572 0.6644 0.6506 -0.0366 0.0678 -0.0471 80 PRO A CB 357 C CG . PRO A 53 ? 0.9637 0.6625 0.6494 -0.0245 0.0729 -0.0439 80 PRO A CG 358 C CD . PRO A 53 ? 0.9373 0.6530 0.6380 -0.0157 0.0729 -0.0351 80 PRO A CD 359 N N . SER A 54 ? 0.9294 0.6665 0.6537 -0.0394 0.0639 -0.0361 81 SER A N 360 C CA . SER A 54 ? 0.9211 0.6647 0.6542 -0.0461 0.0630 -0.0346 81 SER A CA 361 C C . SER A 54 ? 0.8999 0.6693 0.6496 -0.0441 0.0574 -0.0309 81 SER A C 362 O O . SER A 54 ? 0.8936 0.6753 0.6523 -0.0519 0.0540 -0.0332 81 SER A O 363 C CB . SER A 54 ? 0.9315 0.6582 0.6585 -0.0418 0.0695 -0.0287 81 SER A CB 364 O OG . SER A 54 ? 0.9646 0.6647 0.6747 -0.0434 0.0753 -0.0320 81 SER A OG 365 N N . ALA A 55 ? 0.8910 0.6683 0.6447 -0.0339 0.0568 -0.0257 82 ALA A N 366 C CA . ALA A 55 ? 0.8672 0.6662 0.6350 -0.0313 0.0523 -0.0219 82 ALA A CA 367 C C . ALA A 55 ? 0.8641 0.6781 0.6375 -0.0359 0.0459 -0.0268 82 ALA A C 368 O O . ALA A 55 ? 0.8501 0.6794 0.6344 -0.0392 0.0420 -0.0266 82 ALA A O 369 C CB . ALA A 55 ? 0.8620 0.6646 0.6322 -0.0203 0.0540 -0.0159 82 ALA A CB 370 N N . THR A 56 ? 0.8749 0.6840 0.6397 -0.0354 0.0449 -0.0311 83 THR A N 371 C CA . THR A 56 ? 0.8735 0.6959 0.6413 -0.0384 0.0381 -0.0355 83 THR A CA 372 C C . THR A 56 ? 0.8759 0.7042 0.6482 -0.0489 0.0342 -0.0420 83 THR A C 373 O O . THR A 56 ? 0.8544 0.6996 0.6355 -0.0507 0.0280 -0.0439 83 THR A O 374 C CB . THR A 56 ? 0.8826 0.6972 0.6378 -0.0350 0.0378 -0.0386 83 THR A CB 375 O OG1 . THR A 56 ? 0.9162 0.7110 0.6582 -0.0380 0.0421 -0.0428 83 THR A OG1 376 C CG2 . THR A 56 ? 0.8784 0.6937 0.6331 -0.0250 0.0410 -0.0324 83 THR A CG2 377 N N . LYS A 57 ? 0.8969 0.7116 0.6636 -0.0558 0.0380 -0.0452 84 LYS A N 378 C CA . LYS A 57 ? 0.9128 0.7340 0.6854 -0.0672 0.0355 -0.0515 84 LYS A CA 379 C C . LYS A 57 ? 0.8723 0.7109 0.6607 -0.0692 0.0341 -0.0486 84 LYS A C 380 O O . LYS A 57 ? 0.8681 0.7194 0.6654 -0.0772 0.0306 -0.0539 84 LYS A O 381 C CB . LYS A 57 ? 0.9670 0.7672 0.7292 -0.0751 0.0414 -0.0552 84 LYS A CB 382 C CG . LYS A 57 ? 1.0169 0.8035 0.7649 -0.0781 0.0408 -0.0624 84 LYS A CG 383 C CD . LYS A 57 ? 1.0730 0.8452 0.8147 -0.0906 0.0443 -0.0692 84 LYS A CD 384 C CE . LYS A 57 ? 1.1138 0.8589 0.8426 -0.0886 0.0539 -0.0652 84 LYS A CE 385 N NZ . LYS A 57 ? 1.1484 0.8719 0.8589 -0.0847 0.0567 -0.0679 84 LYS A NZ 386 N N . ARG A 58 ? 0.8331 0.6732 0.6253 -0.0620 0.0366 -0.0407 85 ARG A N 387 C CA . ARG A 58 ? 0.7965 0.6523 0.6019 -0.0626 0.0353 -0.0377 85 ARG A CA 388 C C . ARG A 58 ? 0.7725 0.6483 0.5879 -0.0586 0.0286 -0.0378 85 ARG A C 389 O O . ARG A 58 ? 0.7547 0.6437 0.5808 -0.0592 0.0274 -0.0362 85 ARG A O 390 C CB . ARG A 58 ? 0.7826 0.6320 0.5871 -0.0564 0.0399 -0.0296 85 ARG A CB 391 C CG . ARG A 58 ? 0.7939 0.6231 0.5885 -0.0590 0.0466 -0.0282 85 ARG A CG 392 C CD . ARG A 58 ? 0.7860 0.6123 0.5809 -0.0534 0.0496 -0.0204 85 ARG A CD 393 N NE . ARG A 58 ? 0.7770 0.5993 0.5684 -0.0426 0.0501 -0.0151 85 ARG A NE 394 C CZ . ARG A 58 ? 0.7933 0.5978 0.5739 -0.0376 0.0546 -0.0127 85 ARG A CZ 395 N NH1 . ARG A 58 ? 0.7922 0.5978 0.5731 -0.0275 0.0548 -0.0080 85 ARG A NH1 396 N NH2 . ARG A 58 ? 0.8180 0.6034 0.5876 -0.0425 0.0593 -0.0150 85 ARG A NH2 397 N N . TRP A 59 ? 0.7636 0.6403 0.5740 -0.0542 0.0247 -0.0393 86 TRP A N 398 C CA . TRP A 59 ? 0.7499 0.6421 0.5667 -0.0494 0.0188 -0.0385 86 TRP A CA 399 C C . TRP A 59 ? 0.7561 0.6568 0.5734 -0.0533 0.0123 -0.0459 86 TRP A C 400 O O . TRP A 59 ? 0.7822 0.6749 0.5925 -0.0589 0.0123 -0.0515 86 TRP A O 401 C CB . TRP A 59 ? 0.7459 0.6329 0.5563 -0.0402 0.0198 -0.0332 86 TRP A CB 402 C CG . TRP A 59 ? 0.7398 0.6180 0.5491 -0.0365 0.0261 -0.0270 86 TRP A CG 403 C CD1 . TRP A 59 ? 0.7368 0.6164 0.5524 -0.0380 0.0288 -0.0238 86 TRP A CD1 404 C CD2 . TRP A 59 ? 0.7467 0.6139 0.5478 -0.0302 0.0301 -0.0235 86 TRP A CD2 405 N NE1 . TRP A 59 ? 0.7411 0.6118 0.5531 -0.0327 0.0333 -0.0185 86 TRP A NE1 406 C CE2 . TRP A 59 ? 0.7501 0.6140 0.5544 -0.0278 0.0345 -0.0183 86 TRP A CE2 407 C CE3 . TRP A 59 ? 0.7596 0.6199 0.5508 -0.0261 0.0308 -0.0244 86 TRP A CE3 408 C CZ2 . TRP A 59 ? 0.7599 0.6158 0.5598 -0.0211 0.0390 -0.0141 86 TRP A CZ2 409 C CZ3 . TRP A 59 ? 0.7654 0.6168 0.5520 -0.0199 0.0364 -0.0202 86 TRP A CZ3 410 C CH2 . TRP A 59 ? 0.7607 0.6110 0.5527 -0.0173 0.0403 -0.0152 86 TRP A CH2 411 N N . GLY A 60 ? 0.7462 0.6628 0.5713 -0.0502 0.0064 -0.0463 87 GLY A N 412 C CA . GLY A 60 ? 0.7453 0.6732 0.5725 -0.0526 -0.0011 -0.0532 87 GLY A CA 413 C C . GLY A 60 ? 0.7365 0.6789 0.5696 -0.0456 -0.0073 -0.0516 87 GLY A C 414 O O . GLY A 60 ? 0.7208 0.6684 0.5612 -0.0419 -0.0055 -0.0467 87 GLY A O 415 N N . PHE A 61 ? 0.7487 0.6970 0.5777 -0.0438 -0.0149 -0.0561 88 PHE A N 416 C CA . PHE A 61 ? 0.7445 0.7038 0.5757 -0.0357 -0.0213 -0.0545 88 PHE A CA 417 C C . PHE A 61 ? 0.7298 0.7105 0.5775 -0.0378 -0.0266 -0.0590 88 PHE A C 418 O O . PHE A 61 ? 0.7337 0.7230 0.5890 -0.0461 -0.0282 -0.0658 88 PHE A O 419 C CB . PHE A 61 ? 0.7637 0.7167 0.5793 -0.0309 -0.0269 -0.0561 88 PHE A CB 420 C CG . PHE A 61 ? 0.7794 0.7132 0.5797 -0.0267 -0.0210 -0.0507 88 PHE A CG 421 C CD1 . PHE A 61 ? 0.7969 0.7161 0.5877 -0.0312 -0.0160 -0.0524 88 PHE A CD1 422 C CD2 . PHE A 61 ? 0.7775 0.7073 0.5729 -0.0182 -0.0197 -0.0439 88 PHE A CD2 423 C CE1 . PHE A 61 ? 0.8054 0.7084 0.5835 -0.0266 -0.0099 -0.0476 88 PHE A CE1 424 C CE2 . PHE A 61 ? 0.7861 0.7000 0.5692 -0.0149 -0.0134 -0.0391 88 PHE A CE2 425 C CZ . PHE A 61 ? 0.7955 0.6970 0.5706 -0.0187 -0.0085 -0.0410 88 PHE A CZ 426 N N . ARG A 62 ? 0.7230 0.7123 0.5765 -0.0303 -0.0288 -0.0554 89 ARG A N 427 C CA . ARG A 62 ? 0.7179 0.7280 0.5883 -0.0304 -0.0326 -0.0588 89 ARG A CA 428 C C . ARG A 62 ? 0.7195 0.7339 0.5891 -0.0191 -0.0368 -0.0547 89 ARG A C 429 O O . ARG A 62 ? 0.7418 0.7434 0.6031 -0.0138 -0.0328 -0.0479 89 ARG A O 430 C CB . ARG A 62 ? 0.7055 0.7183 0.5878 -0.0366 -0.0248 -0.0576 89 ARG A CB 431 C CG . ARG A 62 ? 0.6874 0.7195 0.5867 -0.0354 -0.0260 -0.0594 89 ARG A CG 432 C CD . ARG A 62 ? 0.6881 0.7403 0.5999 -0.0401 -0.0320 -0.0681 89 ARG A CD 433 N NE . ARG A 62 ? 0.6734 0.7455 0.6014 -0.0363 -0.0336 -0.0696 89 ARG A NE 434 C CZ . ARG A 62 ? 0.6603 0.7394 0.6007 -0.0411 -0.0269 -0.0699 89 ARG A CZ 435 N NH1 . ARG A 62 ? 0.6498 0.7473 0.6044 -0.0363 -0.0286 -0.0717 89 ARG A NH1 436 N NH2 . ARG A 62 ? 0.6621 0.7292 0.5997 -0.0499 -0.0183 -0.0683 89 ARG A NH2 437 N N . SER A 63 ? 0.7183 0.7506 0.5966 -0.0154 -0.0446 -0.0591 90 SER A N 438 C CA . SER A 63 ? 0.7158 0.7521 0.5932 -0.0038 -0.0491 -0.0557 90 SER A CA 439 C C . SER A 63 ? 0.6998 0.7526 0.5955 -0.0028 -0.0477 -0.0569 90 SER A C 440 O O . SER A 63 ? 0.6847 0.7501 0.5950 -0.0113 -0.0452 -0.0617 90 SER A O 441 C CB . SER A 63 ? 0.7359 0.7794 0.6071 0.0024 -0.0600 -0.0594 90 SER A CB 442 O OG . SER A 63 ? 0.7506 0.7767 0.6020 0.0026 -0.0608 -0.0579 90 SER A OG 443 N N . GLY A 64 ? 0.6987 0.7499 0.5925 0.0072 -0.0484 -0.0523 91 GLY A N 444 C CA . GLY A 64 ? 0.6931 0.7585 0.6023 0.0103 -0.0472 -0.0533 91 GLY A CA 445 C C . GLY A 64 ? 0.6860 0.7438 0.5985 0.0067 -0.0374 -0.0493 91 GLY A C 446 O O . GLY A 64 ? 0.7018 0.7680 0.6238 0.0105 -0.0357 -0.0494 91 GLY A O 447 N N . VAL A 65 ? 0.6822 0.7245 0.5866 -0.0001 -0.0312 -0.0461 92 VAL A N 448 C CA . VAL A 65 ? 0.6737 0.7082 0.5796 -0.0037 -0.0227 -0.0423 92 VAL A CA 449 C C . VAL A 65 ? 0.6763 0.6926 0.5682 0.0017 -0.0207 -0.0353 92 VAL A C 450 O O . VAL A 65 ? 0.6899 0.6938 0.5701 0.0008 -0.0205 -0.0329 92 VAL A O 451 C CB . VAL A 65 ? 0.6700 0.7003 0.5770 -0.0148 -0.0172 -0.0434 92 VAL A CB 452 C CG1 . VAL A 65 ? 0.6537 0.6751 0.5599 -0.0175 -0.0094 -0.0389 92 VAL A CG1 453 C CG2 . VAL A 65 ? 0.6717 0.7193 0.5924 -0.0218 -0.0184 -0.0506 92 VAL A CG2 454 N N . PRO A 66 ? 0.6693 0.6834 0.5619 0.0070 -0.0186 -0.0324 93 PRO A N 455 C CA . PRO A 66 ? 0.6717 0.6684 0.5517 0.0105 -0.0160 -0.0263 93 PRO A CA 456 C C . PRO A 66 ? 0.6633 0.6500 0.5404 0.0033 -0.0095 -0.0231 93 PRO A C 457 O O . PRO A 66 ? 0.6488 0.6401 0.5336 -0.0020 -0.0057 -0.0242 93 PRO A O 458 C CB . PRO A 66 ? 0.6684 0.6660 0.5511 0.0167 -0.0151 -0.0252 93 PRO A CB 459 C CG . PRO A 66 ? 0.6688 0.6844 0.5631 0.0203 -0.0197 -0.0305 93 PRO A CG 460 C CD . PRO A 66 ? 0.6628 0.6899 0.5667 0.0111 -0.0192 -0.0350 93 PRO A CD 461 N N . PRO A 67 ? 0.6719 0.6455 0.5378 0.0036 -0.0082 -0.0192 94 PRO A N 462 C CA . PRO A 67 ? 0.6692 0.6352 0.5338 -0.0019 -0.0025 -0.0162 94 PRO A CA 463 C C . PRO A 67 ? 0.6555 0.6199 0.5235 -0.0027 0.0011 -0.0140 94 PRO A C 464 O O . PRO A 67 ? 0.6510 0.6150 0.5186 0.0019 0.0002 -0.0136 94 PRO A O 465 C CB . PRO A 67 ? 0.6690 0.6228 0.5218 0.0000 -0.0018 -0.0126 94 PRO A CB 466 C CG . PRO A 67 ? 0.6807 0.6324 0.5265 0.0072 -0.0062 -0.0125 94 PRO A CG 467 C CD . PRO A 67 ? 0.6787 0.6442 0.5326 0.0090 -0.0115 -0.0175 94 PRO A CD 468 N N . LYS A 68 ? 0.6404 0.6033 0.5107 -0.0081 0.0050 -0.0128 95 LYS A N 469 C CA . LYS A 68 ? 0.6412 0.6025 0.5134 -0.0095 0.0080 -0.0111 95 LYS A CA 470 C C . LYS A 68 ? 0.6451 0.5998 0.5143 -0.0127 0.0111 -0.0075 95 LYS A C 471 O O . LYS A 68 ? 0.6492 0.6030 0.5178 -0.0152 0.0120 -0.0073 95 LYS A O 472 C CB . LYS A 68 ? 0.6380 0.6080 0.5180 -0.0124 0.0092 -0.0142 95 LYS A CB 473 C CG . LYS A 68 ? 0.6441 0.6229 0.5294 -0.0083 0.0068 -0.0178 95 LYS A CG 474 C CD . LYS A 68 ? 0.6567 0.6305 0.5388 -0.0032 0.0069 -0.0164 95 LYS A CD 475 C CE . LYS A 68 ? 0.6633 0.6433 0.5481 0.0038 0.0035 -0.0190 95 LYS A CE 476 N NZ . LYS A 68 ? 0.6680 0.6630 0.5642 0.0024 0.0037 -0.0238 95 LYS A NZ 477 N N . VAL A 69 ? 0.6560 0.6064 0.5236 -0.0126 0.0126 -0.0052 96 VAL A N 478 C CA . VAL A 69 ? 0.6588 0.6055 0.5254 -0.0152 0.0148 -0.0020 96 VAL A CA 479 C C . VAL A 69 ? 0.6626 0.6109 0.5315 -0.0178 0.0158 -0.0020 96 VAL A C 480 O O . VAL A 69 ? 0.6600 0.6078 0.5286 -0.0168 0.0155 -0.0033 96 VAL A O 481 C CB . VAL A 69 ? 0.6676 0.6076 0.5294 -0.0134 0.0157 0.0005 96 VAL A CB 482 C CG1 . VAL A 69 ? 0.6684 0.6078 0.5320 -0.0164 0.0180 0.0032 96 VAL A CG1 483 C CG2 . VAL A 69 ? 0.6757 0.6130 0.5330 -0.0109 0.0151 0.0006 96 VAL A CG2 484 N N . VAL A 70 ? 0.6515 0.6010 0.5217 -0.0206 0.0168 -0.0005 97 VAL A N 485 C CA . VAL A 70 ? 0.6448 0.5951 0.5153 -0.0231 0.0171 0.0000 97 VAL A CA 486 C C . VAL A 70 ? 0.6477 0.5977 0.5188 -0.0239 0.0172 0.0029 97 VAL A C 487 O O . VAL A 70 ? 0.6405 0.5901 0.5120 -0.0228 0.0180 0.0045 97 VAL A O 488 C CB . VAL A 70 ? 0.6444 0.5972 0.5151 -0.0250 0.0180 -0.0013 97 VAL A CB 489 C CG1 . VAL A 70 ? 0.6487 0.6003 0.5188 -0.0257 0.0189 0.0003 97 VAL A CG1 490 C CG2 . VAL A 70 ? 0.6428 0.5955 0.5115 -0.0270 0.0180 -0.0011 97 VAL A CG2 491 N N . ASN A 71 ? 0.6438 0.5947 0.5153 -0.0258 0.0165 0.0035 98 ASN A N 492 C CA . ASN A 71 ? 0.6508 0.6045 0.5250 -0.0264 0.0161 0.0060 98 ASN A CA 493 C C . ASN A 71 ? 0.6390 0.5954 0.5126 -0.0267 0.0148 0.0072 98 ASN A C 494 O O . ASN A 71 ? 0.6380 0.5930 0.5080 -0.0275 0.0146 0.0060 98 ASN A O 495 C CB . ASN A 71 ? 0.6726 0.6267 0.5484 -0.0289 0.0158 0.0057 98 ASN A CB 496 C CG . ASN A 71 ? 0.6823 0.6380 0.5568 -0.0318 0.0136 0.0042 98 ASN A CG 497 O OD1 . ASN A 71 ? 0.7094 0.6618 0.5798 -0.0321 0.0136 0.0020 98 ASN A OD1 498 N ND2 . ASN A 71 ? 0.6823 0.6438 0.5604 -0.0338 0.0116 0.0052 98 ASN A ND2 499 N N . TYR A 72 ? 0.6392 0.5991 0.5160 -0.0253 0.0143 0.0097 99 TYR A N 500 C CA . TYR A 72 ? 0.6454 0.6075 0.5209 -0.0242 0.0123 0.0116 99 TYR A CA 501 C C . TYR A 72 ? 0.6445 0.6147 0.5266 -0.0236 0.0104 0.0132 99 TYR A C 502 O O . TYR A 72 ? 0.6388 0.6115 0.5263 -0.0231 0.0123 0.0137 99 TYR A O 503 C CB . TYR A 72 ? 0.6572 0.6143 0.5290 -0.0215 0.0142 0.0132 99 TYR A CB 504 C CG . TYR A 72 ? 0.6613 0.6180 0.5361 -0.0183 0.0162 0.0147 99 TYR A CG 505 C CD1 . TYR A 72 ? 0.6649 0.6185 0.5399 -0.0184 0.0186 0.0132 99 TYR A CD1 506 C CD2 . TYR A 72 ? 0.6675 0.6268 0.5443 -0.0145 0.0157 0.0176 99 TYR A CD2 507 C CE1 . TYR A 72 ? 0.6679 0.6201 0.5439 -0.0155 0.0209 0.0144 99 TYR A CE1 508 C CE2 . TYR A 72 ? 0.6755 0.6342 0.5549 -0.0110 0.0184 0.0188 99 TYR A CE2 509 C CZ . TYR A 72 ? 0.6703 0.6248 0.5486 -0.0119 0.0212 0.0171 99 TYR A CZ 510 O OH . TYR A 72 ? 0.6684 0.6211 0.5475 -0.0084 0.0243 0.0180 99 TYR A OH 511 N N . GLU A 73 ? 0.6539 0.6288 0.5356 -0.0238 0.0066 0.0139 100 GLU A N 512 C CA . GLU A 73 ? 0.6496 0.6352 0.5393 -0.0246 0.0036 0.0142 100 GLU A CA 513 C C . GLU A 73 ? 0.6449 0.6372 0.5399 -0.0192 0.0027 0.0173 100 GLU A C 514 O O . GLU A 73 ? 0.6564 0.6597 0.5614 -0.0195 0.0017 0.0174 100 GLU A O 515 C CB . GLU A 73 ? 0.6633 0.6519 0.5496 -0.0275 -0.0011 0.0126 100 GLU A CB 516 C CG . GLU A 73 ? 0.6725 0.6549 0.5537 -0.0326 -0.0002 0.0090 100 GLU A CG 517 C CD . GLU A 73 ? 0.6911 0.6729 0.5646 -0.0346 -0.0042 0.0075 100 GLU A CD 518 O OE1 . GLU A 73 ? 0.7120 0.6923 0.5836 -0.0393 -0.0050 0.0040 100 GLU A OE1 519 O OE2 . GLU A 73 ? 0.7004 0.6816 0.5682 -0.0312 -0.0063 0.0097 100 GLU A OE2 520 N N . ALA A 74 ? 0.6387 0.6244 0.5272 -0.0144 0.0034 0.0198 101 ALA A N 521 C CA . ALA A 74 ? 0.6345 0.6239 0.5260 -0.0077 0.0029 0.0231 101 ALA A CA 522 C C . ALA A 74 ? 0.6305 0.6076 0.5150 -0.0041 0.0073 0.0247 101 ALA A C 523 O O . ALA A 74 ? 0.6265 0.5933 0.5023 -0.0065 0.0091 0.0238 101 ALA A O 524 C CB . ALA A 74 ? 0.6434 0.6367 0.5313 -0.0048 -0.0028 0.0250 101 ALA A CB 525 N N . GLY A 75 ? 0.6258 0.6044 0.5144 0.0014 0.0095 0.0267 102 GLY A N 526 C CA . GLY A 75 ? 0.6341 0.5997 0.5151 0.0046 0.0138 0.0278 102 GLY A CA 527 C C . GLY A 75 ? 0.6398 0.6040 0.5198 0.0131 0.0138 0.0314 102 GLY A C 528 O O . GLY A 75 ? 0.6355 0.6102 0.5208 0.0173 0.0096 0.0333 102 GLY A O 529 N N . GLU A 76 ? 0.6486 0.5996 0.5213 0.0157 0.0184 0.0319 103 GLU A N 530 C CA . GLU A 76 ? 0.6717 0.6161 0.5401 0.0244 0.0197 0.0353 103 GLU A CA 531 C C . GLU A 76 ? 0.6711 0.6165 0.5450 0.0282 0.0245 0.0346 103 GLU A C 532 O O . GLU A 76 ? 0.6787 0.6203 0.5521 0.0236 0.0280 0.0317 103 GLU A O 533 C CB . GLU A 76 ? 0.6866 0.6114 0.5396 0.0234 0.0222 0.0360 103 GLU A CB 534 C CG . GLU A 76 ? 0.7093 0.6213 0.5537 0.0321 0.0245 0.0395 103 GLU A CG 535 C CD . GLU A 76 ? 0.7256 0.6172 0.5537 0.0295 0.0272 0.0403 103 GLU A CD 536 O OE1 . GLU A 76 ? 0.7490 0.6275 0.5672 0.0366 0.0287 0.0440 103 GLU A OE1 537 O OE2 . GLU A 76 ? 0.7132 0.6012 0.5380 0.0205 0.0283 0.0374 103 GLU A OE2 538 N N . TRP A 77 ? 0.6719 0.6222 0.5504 0.0373 0.0245 0.0374 104 TRP A N 539 C CA . TRP A 77 ? 0.6654 0.6154 0.5480 0.0424 0.0301 0.0369 104 TRP A CA 540 C C . TRP A 77 ? 0.6764 0.6041 0.5441 0.0427 0.0352 0.0362 104 TRP A C 541 O O . TRP A 77 ? 0.6870 0.6010 0.5434 0.0454 0.0348 0.0383 104 TRP A O 542 C CB . TRP A 77 ? 0.6686 0.6282 0.5588 0.0535 0.0291 0.0402 104 TRP A CB 543 C CG . TRP A 77 ? 0.6545 0.6388 0.5622 0.0536 0.0247 0.0402 104 TRP A CG 544 C CD1 . TRP A 77 ? 0.6460 0.6415 0.5582 0.0477 0.0181 0.0396 104 TRP A CD1 545 C CD2 . TRP A 77 ? 0.6493 0.6506 0.5725 0.0594 0.0267 0.0403 104 TRP A CD2 546 N NE1 . TRP A 77 ? 0.6381 0.6563 0.5677 0.0487 0.0156 0.0391 104 TRP A NE1 547 C CE2 . TRP A 77 ? 0.6406 0.6639 0.5782 0.0558 0.0209 0.0396 104 TRP A CE2 548 C CE3 . TRP A 77 ? 0.6576 0.6579 0.5840 0.0671 0.0333 0.0406 104 TRP A CE3 549 C CZ2 . TRP A 77 ? 0.6375 0.6833 0.5942 0.0590 0.0215 0.0390 104 TRP A CZ2 550 C CZ3 . TRP A 77 ? 0.6580 0.6805 0.6032 0.0711 0.0345 0.0404 104 TRP A CZ3 551 C CH2 . TRP A 77 ? 0.6476 0.6934 0.6085 0.0667 0.0285 0.0395 104 TRP A CH2 552 N N . ALA A 78 ? 0.6800 0.6033 0.5467 0.0393 0.0399 0.0330 105 ALA A N 553 C CA . ALA A 78 ? 0.6977 0.6007 0.5505 0.0382 0.0444 0.0311 105 ALA A CA 554 C C . ALA A 78 ? 0.7166 0.6125 0.5670 0.0471 0.0500 0.0318 105 ALA A C 555 O O . ALA A 78 ? 0.7107 0.6194 0.5718 0.0516 0.0519 0.0322 105 ALA A O 556 C CB . ALA A 78 ? 0.6896 0.5913 0.5408 0.0293 0.0453 0.0268 105 ALA A CB 557 N N . GLU A 79 ? 0.7450 0.6202 0.5812 0.0494 0.0531 0.0317 106 GLU A N 558 C CA . GLU A 79 ? 0.7793 0.6422 0.6090 0.0555 0.0597 0.0305 106 GLU A CA 559 C C . GLU A 79 ? 0.7700 0.6291 0.5960 0.0487 0.0629 0.0255 106 GLU A C 560 O O . GLU A 79 ? 0.7887 0.6493 0.6165 0.0529 0.0675 0.0244 106 GLU A O 561 C CB . GLU A 79 ? 0.8078 0.6464 0.6212 0.0589 0.0626 0.0314 106 GLU A CB 562 C CG . GLU A 79 ? 0.8359 0.6736 0.6494 0.0702 0.0616 0.0368 106 GLU A CG 563 C CD . GLU A 79 ? 0.8578 0.6979 0.6757 0.0826 0.0661 0.0381 106 GLU A CD 564 O OE1 . GLU A 79 ? 0.8771 0.6972 0.6826 0.0860 0.0724 0.0364 106 GLU A OE1 565 O OE2 . GLU A 79 ? 0.8637 0.7257 0.6974 0.0888 0.0634 0.0405 106 GLU A OE2 566 N N . ASN A 80 ? 0.7542 0.6081 0.5746 0.0388 0.0604 0.0225 107 ASN A N 567 C CA . ASN A 80 ? 0.7615 0.6087 0.5752 0.0326 0.0622 0.0175 107 ASN A CA 568 C C . ASN A 80 ? 0.7435 0.6051 0.5650 0.0248 0.0576 0.0160 107 ASN A C 569 O O . ASN A 80 ? 0.7258 0.5925 0.5506 0.0201 0.0532 0.0168 107 ASN A O 570 C CB . ASN A 80 ? 0.7861 0.6126 0.5851 0.0279 0.0636 0.0145 107 ASN A CB 571 C CG . ASN A 80 ? 0.8091 0.6178 0.5981 0.0357 0.0684 0.0163 107 ASN A CG 572 O OD1 . ASN A 80 ? 0.8313 0.6291 0.6129 0.0399 0.0735 0.0143 107 ASN A OD1 573 N ND2 . ASN A 80 ? 0.8165 0.6208 0.6039 0.0381 0.0671 0.0203 107 ASN A ND2 574 N N . CYS A 81 ? 0.7439 0.6110 0.5675 0.0243 0.0591 0.0142 108 CYS A N 575 C CA . CYS A 81 ? 0.7375 0.6131 0.5642 0.0175 0.0556 0.0122 108 CYS A CA 576 C C . CYS A 81 ? 0.7447 0.6107 0.5608 0.0157 0.0578 0.0080 108 CYS A C 577 O O . CYS A 81 ? 0.7486 0.6024 0.5558 0.0194 0.0624 0.0067 108 CYS A O 578 C CB . CYS A 81 ? 0.7322 0.6246 0.5715 0.0190 0.0552 0.0149 108 CYS A CB 579 S SG . CYS A 81 ? 0.7260 0.6314 0.5778 0.0214 0.0516 0.0193 108 CYS A SG 580 N N . TYR A 82 ? 0.7394 0.6101 0.5552 0.0104 0.0544 0.0058 109 TYR A N 581 C CA . TYR A 82 ? 0.7524 0.6149 0.5570 0.0084 0.0548 0.0016 109 TYR A CA 582 C C . TYR A 82 ? 0.7550 0.6259 0.5616 0.0074 0.0534 0.0021 109 TYR A C 583 O O . TYR A 82 ? 0.7440 0.6259 0.5600 0.0055 0.0502 0.0042 109 TYR A O 584 C CB . TYR A 82 ? 0.7527 0.6085 0.5510 0.0021 0.0507 -0.0027 109 TYR A CB 585 C CG . TYR A 82 ? 0.7577 0.6043 0.5538 0.0018 0.0524 -0.0026 109 TYR A CG 586 C CD1 . TYR A 82 ? 0.7729 0.6032 0.5575 0.0037 0.0567 -0.0049 109 TYR A CD1 587 C CD2 . TYR A 82 ? 0.7508 0.6031 0.5548 0.0002 0.0503 0.0000 109 TYR A CD2 588 C CE1 . TYR A 82 ? 0.7832 0.6022 0.5640 0.0038 0.0590 -0.0042 109 TYR A CE1 589 C CE2 . TYR A 82 ? 0.7585 0.6002 0.5583 0.0004 0.0524 0.0009 109 TYR A CE2 590 C CZ . TYR A 82 ? 0.7770 0.6017 0.5653 0.0022 0.0568 -0.0010 109 TYR A CZ 591 O OH . TYR A 82 ? 0.7978 0.6097 0.5805 0.0025 0.0592 0.0001 109 TYR A OH 592 N N . ASN A 83 ? 0.7766 0.6404 0.5728 0.0089 0.0560 0.0001 110 ASN A N 593 C CA . ASN A 83 ? 0.7741 0.6416 0.5681 0.0088 0.0560 0.0009 110 ASN A CA 594 C C . ASN A 83 ? 0.7845 0.6413 0.5624 0.0078 0.0543 -0.0034 110 ASN A C 595 O O . ASN A 83 ? 0.7972 0.6433 0.5646 0.0103 0.0587 -0.0053 110 ASN A O 596 C CB . ASN A 83 ? 0.7728 0.6436 0.5709 0.0134 0.0633 0.0045 110 ASN A CB 597 C CG . ASN A 83 ? 0.7765 0.6507 0.5733 0.0126 0.0645 0.0062 110 ASN A CG 598 O OD1 . ASN A 83 ? 0.7981 0.6639 0.5813 0.0125 0.0644 0.0044 110 ASN A OD1 599 N ND2 . ASN A 83 ? 0.7654 0.6509 0.5750 0.0119 0.0659 0.0097 110 ASN A ND2 600 N N . LEU A 84 ? 0.7872 0.6471 0.5630 0.0045 0.0476 -0.0053 111 LEU A N 601 C CA . LEU A 84 ? 0.8070 0.6590 0.5687 0.0030 0.0437 -0.0102 111 LEU A CA 602 C C . LEU A 84 ? 0.8288 0.6785 0.5800 0.0054 0.0431 -0.0094 111 LEU A C 603 O O . LEU A 84 ? 0.8166 0.6733 0.5731 0.0057 0.0411 -0.0064 111 LEU A O 604 C CB . LEU A 84 ? 0.7942 0.6519 0.5606 -0.0020 0.0359 -0.0139 111 LEU A CB 605 C CG . LEU A 84 ? 0.7929 0.6516 0.5680 -0.0054 0.0363 -0.0148 111 LEU A CG 606 C CD1 . LEU A 84 ? 0.7916 0.6561 0.5703 -0.0112 0.0295 -0.0192 111 LEU A CD1 607 C CD2 . LEU A 84 ? 0.8071 0.6525 0.5739 -0.0044 0.0417 -0.0165 111 LEU A CD2 608 N N . GLU A 85 ? 0.8595 0.6975 0.5941 0.0073 0.0452 -0.0121 112 GLU A N 609 C CA . GLU A 85 ? 0.8877 0.7201 0.6073 0.0096 0.0438 -0.0121 112 GLU A CA 610 C C . GLU A 85 ? 0.9002 0.7266 0.6066 0.0078 0.0369 -0.0187 112 GLU A C 611 O O . GLU A 85 ? 0.9306 0.7450 0.6229 0.0087 0.0401 -0.0219 112 GLU A O 612 C CB . GLU A 85 ? 0.9158 0.7391 0.6258 0.0137 0.0536 -0.0095 112 GLU A CB 613 C CG . GLU A 85 ? 0.9268 0.7575 0.6503 0.0150 0.0607 -0.0035 112 GLU A CG 614 C CD . GLU A 85 ? 0.9514 0.7860 0.6757 0.0148 0.0592 0.0003 112 GLU A CD 615 O OE1 . GLU A 85 ? 0.9718 0.8029 0.6853 0.0151 0.0525 -0.0009 112 GLU A OE1 616 O OE2 . GLU A 85 ? 0.9711 0.8121 0.7068 0.0145 0.0646 0.0045 112 GLU A OE2 617 N N . ILE A 86 ? 0.8971 0.7322 0.6086 0.0051 0.0276 -0.0211 113 ILE A N 618 C CA . ILE A 86 ? 0.9160 0.7493 0.6183 0.0024 0.0198 -0.0281 113 ILE A CA 619 C C . ILE A 86 ? 0.9277 0.7619 0.6187 0.0059 0.0128 -0.0282 113 ILE A C 620 O O . ILE A 86 ? 0.9233 0.7647 0.6207 0.0084 0.0107 -0.0239 113 ILE A O 621 C CB . ILE A 86 ? 0.9053 0.7496 0.6231 -0.0037 0.0143 -0.0319 113 ILE A CB 622 C CG1 . ILE A 86 ? 0.8999 0.7418 0.6275 -0.0062 0.0214 -0.0305 113 ILE A CG1 623 C CG2 . ILE A 86 ? 0.9216 0.7651 0.6315 -0.0080 0.0069 -0.0401 113 ILE A CG2 624 C CD1 . ILE A 86 ? 0.9174 0.7436 0.6327 -0.0057 0.0281 -0.0326 113 ILE A CD1 625 N N . LYS A 87 ? 0.9603 0.7857 0.6329 0.0064 0.0092 -0.0330 114 LYS A N 626 C CA . LYS A 87 ? 0.9882 0.8137 0.6473 0.0103 0.0009 -0.0340 114 LYS A CA 627 C C . LYS A 87 ? 1.0078 0.8381 0.6636 0.0063 -0.0093 -0.0426 114 LYS A C 628 O O . LYS A 87 ? 0.9992 0.8267 0.6567 0.0005 -0.0080 -0.0480 114 LYS A O 629 C CB . LYS A 87 ? 1.0126 0.8214 0.6482 0.0156 0.0064 -0.0315 114 LYS A CB 630 C CG . LYS A 87 ? 1.0165 0.8212 0.6541 0.0193 0.0165 -0.0232 114 LYS A CG 631 C CD . LYS A 87 ? 1.0515 0.8398 0.6644 0.0241 0.0219 -0.0209 114 LYS A CD 632 C CE . LYS A 87 ? 1.0630 0.8484 0.6773 0.0272 0.0306 -0.0127 114 LYS A CE 633 N NZ . LYS A 87 ? 1.0651 0.8533 0.6951 0.0248 0.0417 -0.0100 114 LYS A NZ 634 N N . LYS A 88 ? 1.0410 0.8784 0.6920 0.0095 -0.0198 -0.0441 115 LYS A N 635 C CA . LYS A 88 ? 1.0918 0.9341 0.7367 0.0063 -0.0306 -0.0528 115 LYS A CA 636 C C . LYS A 88 ? 1.1251 0.9493 0.7425 0.0082 -0.0295 -0.0557 115 LYS A C 637 O O . LYS A 88 ? 1.1252 0.9349 0.7285 0.0134 -0.0211 -0.0500 115 LYS A O 638 C CB . LYS A 88 ? 1.1186 0.9763 0.7681 0.0105 -0.0429 -0.0535 115 LYS A CB 639 C CG . LYS A 88 ? 1.1170 0.9943 0.7938 0.0078 -0.0452 -0.0530 115 LYS A CG 640 C CD . LYS A 88 ? 1.1392 1.0359 0.8246 0.0074 -0.0587 -0.0593 115 LYS A CD 641 C CE . LYS A 88 ? 1.1608 1.0619 0.8401 0.0181 -0.0661 -0.0552 115 LYS A CE 642 N NZ . LYS A 88 ? 1.1393 1.0497 0.8369 0.0210 -0.0633 -0.0494 115 LYS A NZ 643 N N . PRO A 89 ? 1.1548 0.9794 0.7642 0.0035 -0.0373 -0.0649 116 PRO A N 644 C CA . PRO A 89 ? 1.1843 0.9924 0.7650 0.0057 -0.0386 -0.0686 116 PRO A CA 645 C C . PRO A 89 ? 1.1906 0.9915 0.7512 0.0158 -0.0409 -0.0629 116 PRO A C 646 O O . PRO A 89 ? 1.1957 0.9776 0.7333 0.0192 -0.0342 -0.0612 116 PRO A O 647 C CB . PRO A 89 ? 1.1984 1.0162 0.7794 -0.0008 -0.0511 -0.0794 116 PRO A CB 648 C CG . PRO A 89 ? 1.1782 1.0085 0.7858 -0.0097 -0.0491 -0.0821 116 PRO A CG 649 C CD . PRO A 89 ? 1.1495 0.9877 0.7761 -0.0058 -0.0430 -0.0727 116 PRO A CD 650 N N . ASP A 90 ? 1.1822 0.9967 0.7508 0.0208 -0.0493 -0.0597 117 ASP A N 651 C CA . ASP A 90 ? 1.2028 1.0088 0.7523 0.0310 -0.0509 -0.0531 117 ASP A CA 652 C C . ASP A 90 ? 1.1774 0.9715 0.7254 0.0351 -0.0370 -0.0427 117 ASP A C 653 O O . ASP A 90 ? 1.1821 0.9677 0.7147 0.0429 -0.0370 -0.0366 117 ASP A O 654 C CB . ASP A 90 ? 1.2281 1.0515 0.7852 0.0362 -0.0649 -0.0533 117 ASP A CB 655 C CG . ASP A 90 ? 1.2289 1.0687 0.8153 0.0354 -0.0634 -0.0493 117 ASP A CG 656 O OD1 . ASP A 90 ? 1.2420 1.0773 0.8390 0.0331 -0.0514 -0.0438 117 ASP A OD1 657 O OD2 . ASP A 90 ? 1.2555 1.1136 0.8544 0.0375 -0.0746 -0.0518 117 ASP A OD2 658 N N . GLY A 91 ? 1.1395 0.9333 0.7035 0.0300 -0.0256 -0.0408 118 GLY A N 659 C CA . GLY A 91 ? 1.1162 0.9011 0.6813 0.0325 -0.0123 -0.0321 118 GLY A CA 660 C C . GLY A 91 ? 1.0836 0.8794 0.6682 0.0341 -0.0116 -0.0257 118 GLY A C 661 O O . GLY A 91 ? 1.0715 0.8614 0.6588 0.0351 -0.0009 -0.0190 118 GLY A O 662 N N . SER A 92 ? 1.0573 0.8694 0.6559 0.0342 -0.0226 -0.0281 119 SER A N 663 C CA . SER A 92 ? 1.0328 0.8548 0.6494 0.0358 -0.0222 -0.0228 119 SER A CA 664 C C . SER A 92 ? 1.0089 0.8407 0.6508 0.0286 -0.0159 -0.0231 119 SER A C 665 O O . SER A 92 ? 0.9838 0.8200 0.6331 0.0226 -0.0163 -0.0288 119 SER A O 666 C CB . SER A 92 ? 1.0315 0.8674 0.6532 0.0397 -0.0359 -0.0253 119 SER A CB 667 O OG . SER A 92 ? 1.0249 0.8761 0.6601 0.0338 -0.0435 -0.0336 119 SER A OG 668 N N . GLU A 93 ? 1.0047 0.8386 0.6583 0.0294 -0.0101 -0.0169 120 GLU A N 669 C CA . GLU A 93 ? 0.9814 0.8232 0.6567 0.0237 -0.0036 -0.0160 120 GLU A CA 670 C C . GLU A 93 ? 0.9642 0.8235 0.6595 0.0196 -0.0110 -0.0206 120 GLU A C 671 O O . GLU A 93 ? 0.9521 0.8209 0.6519 0.0224 -0.0192 -0.0215 120 GLU A O 672 C CB . GLU A 93 ? 0.9769 0.8160 0.6577 0.0253 0.0038 -0.0085 120 GLU A CB 673 C CG . GLU A 93 ? 0.9923 0.8159 0.6583 0.0271 0.0142 -0.0039 120 GLU A CG 674 C CD . GLU A 93 ? 1.0052 0.8271 0.6765 0.0230 0.0231 -0.0049 120 GLU A CD 675 O OE1 . GLU A 93 ? 1.0199 0.8510 0.7062 0.0188 0.0216 -0.0084 120 GLU A OE1 676 O OE2 . GLU A 93 ? 1.0181 0.8287 0.6782 0.0244 0.0321 -0.0020 120 GLU A OE2 677 N N . CYS A 94 ? 0.9605 0.8232 0.6670 0.0132 -0.0074 -0.0236 121 CYS A N 678 C CA . CYS A 94 ? 0.9460 0.8236 0.6708 0.0080 -0.0123 -0.0280 121 CYS A CA 679 C C . CYS A 94 ? 0.8983 0.7843 0.6413 0.0069 -0.0088 -0.0238 121 CYS A C 680 O O . CYS A 94 ? 0.9002 0.7994 0.6571 0.0046 -0.0137 -0.0264 121 CYS A O 681 C CB . CYS A 94 ? 0.9667 0.8415 0.6929 0.0013 -0.0098 -0.0331 121 CYS A CB 682 S SG . CYS A 94 ? 1.0051 0.8764 0.7156 -0.0004 -0.0177 -0.0416 121 CYS A SG 683 N N . LEU A 95 ? 0.8590 0.7382 0.6022 0.0082 -0.0005 -0.0179 122 LEU A N 684 C CA . LEU A 95 ? 0.8154 0.7015 0.5745 0.0067 0.0029 -0.0141 122 LEU A CA 685 C C . LEU A 95 ? 0.8076 0.6895 0.5628 0.0114 0.0052 -0.0084 122 LEU A C 686 O O . LEU A 95 ? 0.8180 0.6886 0.5583 0.0148 0.0082 -0.0058 122 LEU A O 687 C CB . LEU A 95 ? 0.8012 0.6845 0.5666 0.0031 0.0108 -0.0127 122 LEU A CB 688 C CG . LEU A 95 ? 0.8032 0.6856 0.5692 -0.0012 0.0105 -0.0178 122 LEU A CG 689 C CD1 . LEU A 95 ? 0.8043 0.6791 0.5702 -0.0018 0.0190 -0.0156 122 LEU A CD1 690 C CD2 . LEU A 95 ? 0.7915 0.6857 0.5716 -0.0059 0.0061 -0.0210 122 LEU A CD2 691 N N . PRO A 96 ? 0.7813 0.6710 0.5488 0.0111 0.0043 -0.0065 123 PRO A N 692 C CA . PRO A 96 ? 0.7740 0.6581 0.5377 0.0145 0.0069 -0.0014 123 PRO A CA 693 C C . PRO A 96 ? 0.7603 0.6387 0.5255 0.0121 0.0162 0.0027 123 PRO A C 694 O O . PRO A 96 ? 0.7453 0.6280 0.5198 0.0082 0.0197 0.0020 123 PRO A O 695 C CB . PRO A 96 ? 0.7659 0.6606 0.5434 0.0141 0.0033 -0.0020 123 PRO A CB 696 C CG . PRO A 96 ? 0.7586 0.6629 0.5497 0.0084 0.0036 -0.0052 123 PRO A CG 697 C CD . PRO A 96 ? 0.7705 0.6728 0.5549 0.0071 0.0019 -0.0091 123 PRO A CD 698 N N . ALA A 97 ? 0.7639 0.6328 0.5201 0.0145 0.0203 0.0070 124 ALA A N 699 C CA . ALA A 97 ? 0.7585 0.6247 0.5190 0.0115 0.0292 0.0108 124 ALA A CA 700 C C . ALA A 97 ? 0.7422 0.6185 0.5201 0.0076 0.0292 0.0111 124 ALA A C 701 O O . ALA A 97 ? 0.7364 0.6171 0.5188 0.0084 0.0240 0.0101 124 ALA A O 702 C CB . ALA A 97 ? 0.7666 0.6200 0.5137 0.0137 0.0337 0.0151 124 ALA A CB 703 N N . ALA A 98 ? 0.7380 0.6183 0.5254 0.0040 0.0350 0.0125 125 ALA A N 704 C CA . ALA A 98 ? 0.7282 0.6173 0.5304 0.0003 0.0354 0.0130 125 ALA A CA 705 C C . ALA A 98 ? 0.7332 0.6183 0.5337 0.0001 0.0351 0.0150 125 ALA A C 706 O O . ALA A 98 ? 0.7557 0.6315 0.5479 0.0002 0.0400 0.0178 125 ALA A O 707 C CB . ALA A 98 ? 0.7261 0.6192 0.5365 -0.0024 0.0419 0.0148 125 ALA A CB 708 N N . PRO A 99 ? 0.7379 0.6285 0.5452 -0.0002 0.0303 0.0134 126 PRO A N 709 C CA . PRO A 99 ? 0.7443 0.6304 0.5509 -0.0008 0.0308 0.0149 126 PRO A CA 710 C C . PRO A 99 ? 0.7589 0.6443 0.5706 -0.0061 0.0373 0.0172 126 PRO A C 711 O O . PRO A 99 ? 0.7624 0.6552 0.5825 -0.0090 0.0402 0.0173 126 PRO A O 712 C CB . PRO A 99 ? 0.7327 0.6280 0.5492 -0.0014 0.0258 0.0121 126 PRO A CB 713 C CG . PRO A 99 ? 0.7300 0.6320 0.5483 0.0003 0.0214 0.0091 126 PRO A CG 714 C CD . PRO A 99 ? 0.7352 0.6353 0.5502 -0.0002 0.0247 0.0098 126 PRO A CD 715 N N . ASP A 100 ? 0.7817 0.6585 0.5887 -0.0073 0.0395 0.0189 127 ASP A N 716 C CA . ASP A 100 ? 0.7953 0.6718 0.6075 -0.0136 0.0456 0.0204 127 ASP A CA 717 C C . ASP A 100 ? 0.7787 0.6697 0.6073 -0.0182 0.0438 0.0184 127 ASP A C 718 O O . ASP A 100 ? 0.7859 0.6809 0.6184 -0.0177 0.0389 0.0163 127 ASP A O 719 C CB . ASP A 100 ? 0.8264 0.6891 0.6296 -0.0145 0.0477 0.0219 127 ASP A CB 720 C CG . ASP A 100 ? 0.8652 0.7262 0.6728 -0.0224 0.0547 0.0230 127 ASP A CG 721 O OD1 . ASP A 100 ? 0.8889 0.7573 0.7035 -0.0258 0.0593 0.0237 127 ASP A OD1 722 O OD2 . ASP A 100 ? 0.9083 0.7606 0.7126 -0.0253 0.0558 0.0230 127 ASP A OD2 723 N N . GLY A 101 ? 0.7643 0.6634 0.6019 -0.0220 0.0478 0.0191 128 GLY A N 724 C CA . GLY A 101 ? 0.7365 0.6494 0.5886 -0.0257 0.0458 0.0176 128 GLY A CA 725 C C . GLY A 101 ? 0.7170 0.6390 0.5746 -0.0224 0.0415 0.0164 128 GLY A C 726 O O . GLY A 101 ? 0.7005 0.6322 0.5675 -0.0245 0.0389 0.0154 128 GLY A O 727 N N . ILE A 102 ? 0.7215 0.6397 0.5722 -0.0177 0.0409 0.0163 129 ILE A N 728 C CA . ILE A 102 ? 0.7198 0.6442 0.5743 -0.0154 0.0382 0.0152 129 ILE A CA 729 C C . ILE A 102 ? 0.7172 0.6427 0.5724 -0.0139 0.0432 0.0165 129 ILE A C 730 O O . ILE A 102 ? 0.7367 0.6545 0.5824 -0.0112 0.0454 0.0168 129 ILE A O 731 C CB . ILE A 102 ? 0.7279 0.6480 0.5751 -0.0121 0.0338 0.0131 129 ILE A CB 732 C CG1 . ILE A 102 ? 0.7382 0.6589 0.5865 -0.0131 0.0298 0.0117 129 ILE A CG1 733 C CG2 . ILE A 102 ? 0.7253 0.6497 0.5754 -0.0109 0.0321 0.0118 129 ILE A CG2 734 C CD1 . ILE A 102 ? 0.7440 0.6650 0.5895 -0.0104 0.0251 0.0091 129 ILE A CD1 735 N N . ARG A 103 ? 0.7068 0.6420 0.5730 -0.0153 0.0447 0.0172 130 ARG A N 736 C CA . ARG A 103 ? 0.7009 0.6396 0.5704 -0.0129 0.0495 0.0183 130 ARG A CA 737 C C . ARG A 103 ? 0.6854 0.6259 0.5559 -0.0093 0.0467 0.0175 130 ARG A C 738 O O . ARG A 103 ? 0.6711 0.6124 0.5422 -0.0099 0.0416 0.0164 130 ARG A O 739 C CB . ARG A 103 ? 0.7100 0.6603 0.5927 -0.0158 0.0524 0.0194 130 ARG A CB 740 C CG . ARG A 103 ? 0.7227 0.6713 0.6056 -0.0209 0.0566 0.0201 130 ARG A CG 741 C CD . ARG A 103 ? 0.7269 0.6898 0.6252 -0.0255 0.0569 0.0199 130 ARG A CD 742 N NE . ARG A 103 ? 0.7347 0.7017 0.6364 -0.0271 0.0496 0.0186 130 ARG A NE 743 C CZ . ARG A 103 ? 0.7432 0.7040 0.6401 -0.0310 0.0469 0.0174 130 ARG A CZ 744 N NH1 . ARG A 103 ? 0.7558 0.7054 0.6443 -0.0337 0.0506 0.0178 130 ARG A NH1 745 N NH2 . ARG A 103 ? 0.7430 0.7078 0.6425 -0.0319 0.0407 0.0160 130 ARG A NH2 746 N N . GLY A 104 ? 0.6843 0.6242 0.5543 -0.0056 0.0508 0.0181 131 GLY A N 747 C CA . GLY A 104 ? 0.6747 0.6128 0.5433 -0.0019 0.0493 0.0174 131 GLY A CA 748 C C . GLY A 104 ? 0.6640 0.6118 0.5433 -0.0011 0.0467 0.0185 131 GLY A C 749 O O . GLY A 104 ? 0.6674 0.6259 0.5571 -0.0026 0.0468 0.0197 131 GLY A O 750 N N . PHE A 105 ? 0.6562 0.5995 0.5318 0.0012 0.0444 0.0181 132 PHE A N 751 C CA . PHE A 105 ? 0.6499 0.5991 0.5318 0.0031 0.0417 0.0195 132 PHE A CA 752 C C . PHE A 105 ? 0.6486 0.6079 0.5405 0.0074 0.0446 0.0217 132 PHE A C 753 O O . PHE A 105 ? 0.6627 0.6193 0.5533 0.0114 0.0497 0.0219 132 PHE A O 754 C CB . PHE A 105 ? 0.6609 0.5994 0.5342 0.0056 0.0412 0.0189 132 PHE A CB 755 C CG . PHE A 105 ? 0.6647 0.6049 0.5398 0.0067 0.0378 0.0205 132 PHE A CG 756 C CD1 . PHE A 105 ? 0.6616 0.6017 0.5350 0.0022 0.0336 0.0197 132 PHE A CD1 757 C CD2 . PHE A 105 ? 0.6729 0.6142 0.5503 0.0130 0.0389 0.0230 132 PHE A CD2 758 C CE1 . PHE A 105 ? 0.6669 0.6070 0.5397 0.0032 0.0309 0.0213 132 PHE A CE1 759 C CE2 . PHE A 105 ? 0.6767 0.6179 0.5534 0.0148 0.0355 0.0250 132 PHE A CE2 760 C CZ . PHE A 105 ? 0.6746 0.6147 0.5482 0.0095 0.0316 0.0242 132 PHE A CZ 761 N N . PRO A 106 ? 0.6489 0.6206 0.5511 0.0067 0.0412 0.0229 133 PRO A N 762 C CA . PRO A 106 ? 0.6516 0.6373 0.5667 0.0094 0.0437 0.0242 133 PRO A CA 763 C C . PRO A 106 ? 0.6594 0.6478 0.5779 0.0182 0.0453 0.0261 133 PRO A C 764 O O . PRO A 106 ? 0.6489 0.6492 0.5785 0.0213 0.0488 0.0268 133 PRO A O 765 C CB . PRO A 106 ? 0.6465 0.6447 0.5708 0.0049 0.0382 0.0241 133 PRO A CB 766 C CG . PRO A 106 ? 0.6461 0.6365 0.5618 0.0041 0.0327 0.0240 133 PRO A CG 767 C CD . PRO A 106 ? 0.6476 0.6221 0.5504 0.0035 0.0349 0.0228 133 PRO A CD 768 N N . ARG A 107 ? 0.6779 0.6557 0.5873 0.0223 0.0431 0.0270 134 ARG A N 769 C CA . ARG A 107 ? 0.6846 0.6619 0.5949 0.0317 0.0445 0.0292 134 ARG A CA 770 C C . ARG A 107 ? 0.7003 0.6571 0.5952 0.0347 0.0475 0.0287 134 ARG A C 771 O O . ARG A 107 ? 0.7049 0.6509 0.5903 0.0329 0.0444 0.0288 134 ARG A O 772 C CB . ARG A 107 ? 0.6849 0.6702 0.5997 0.0347 0.0378 0.0315 134 ARG A CB 773 C CG . ARG A 107 ? 0.6808 0.6880 0.6119 0.0325 0.0342 0.0315 134 ARG A CG 774 C CD . ARG A 107 ? 0.6855 0.7075 0.6306 0.0393 0.0379 0.0323 134 ARG A CD 775 N NE . ARG A 107 ? 0.6800 0.7243 0.6422 0.0353 0.0348 0.0314 134 ARG A NE 776 C CZ . ARG A 107 ? 0.6824 0.7343 0.6521 0.0272 0.0382 0.0291 134 ARG A CZ 777 N NH1 . ARG A 107 ? 0.6838 0.7558 0.6691 0.0231 0.0351 0.0280 134 ARG A NH1 778 N NH2 . ARG A 107 ? 0.6939 0.7329 0.6551 0.0231 0.0445 0.0279 134 ARG A NH2 779 N N . CYS A 108 ? 0.7137 0.6651 0.6060 0.0385 0.0542 0.0278 135 CYS A N 780 C CA . CYS A 108 ? 0.7335 0.6652 0.6110 0.0413 0.0578 0.0266 135 CYS A CA 781 C C . CYS A 108 ? 0.7462 0.6770 0.6255 0.0514 0.0637 0.0278 135 CYS A C 782 O O . CYS A 108 ? 0.7445 0.6849 0.6319 0.0534 0.0685 0.0275 135 CYS A O 783 C CB . CYS A 108 ? 0.7411 0.6641 0.6099 0.0351 0.0605 0.0232 135 CYS A CB 784 S SG . CYS A 108 ? 0.7340 0.6591 0.6016 0.0245 0.0544 0.0215 135 CYS A SG 785 N N . ARG A 109 ? 0.7645 0.6828 0.6357 0.0581 0.0639 0.0293 136 ARG A N 786 C CA . ARG A 109 ? 0.7919 0.7060 0.6625 0.0690 0.0699 0.0303 136 ARG A CA 787 C C . ARG A 109 ? 0.7897 0.6888 0.6485 0.0681 0.0771 0.0267 136 ARG A C 788 O O . ARG A 109 ? 0.7831 0.6858 0.6458 0.0742 0.0837 0.0263 136 ARG A O 789 C CB . ARG A 109 ? 0.8245 0.7255 0.6866 0.0765 0.0683 0.0330 136 ARG A CB 790 C CG . ARG A 109 ? 0.8622 0.7559 0.7218 0.0894 0.0745 0.0343 136 ARG A CG 791 C CD . ARG A 109 ? 0.8809 0.7989 0.7602 0.0981 0.0751 0.0365 136 ARG A CD 792 N NE . ARG A 109 ? 0.9301 0.8420 0.8077 0.1091 0.0835 0.0361 136 ARG A NE 793 C CZ . ARG A 109 ? 0.9397 0.8517 0.8177 0.1083 0.0914 0.0330 136 ARG A CZ 794 N NH1 . ARG A 109 ? 0.9559 0.8611 0.8312 0.1195 0.0992 0.0328 136 ARG A NH1 795 N NH2 . ARG A 109 ? 0.9289 0.8466 0.8087 0.0971 0.0919 0.0302 136 ARG A NH2 796 N N . TYR A 110 ? 0.7836 0.6666 0.6282 0.0605 0.0758 0.0238 137 TYR A N 797 C CA . TYR A 110 ? 0.7918 0.6602 0.6234 0.0580 0.0809 0.0197 137 TYR A CA 798 C C . TYR A 110 ? 0.7848 0.6546 0.6134 0.0471 0.0769 0.0170 137 TYR A C 799 O O . TYR A 110 ? 0.7805 0.6480 0.6070 0.0411 0.0712 0.0166 137 TYR A O 800 C CB . TYR A 110 ? 0.8100 0.6545 0.6248 0.0604 0.0832 0.0180 137 TYR A CB 801 C CG . TYR A 110 ? 0.8261 0.6661 0.6416 0.0724 0.0868 0.0211 137 TYR A CG 802 C CD1 . TYR A 110 ? 0.8366 0.6794 0.6554 0.0814 0.0939 0.0212 137 TYR A CD1 803 C CD2 . TYR A 110 ? 0.8390 0.6716 0.6514 0.0754 0.0835 0.0242 137 TYR A CD2 804 C CE1 . TYR A 110 ? 0.8546 0.6943 0.6749 0.0940 0.0972 0.0241 137 TYR A CE1 805 C CE2 . TYR A 110 ? 0.8545 0.6820 0.6663 0.0879 0.0865 0.0275 137 TYR A CE2 806 C CZ . TYR A 110 ? 0.8627 0.6943 0.6791 0.0975 0.0931 0.0273 137 TYR A CZ 807 O OH . TYR A 110 ? 0.8820 0.7096 0.6987 0.1113 0.0962 0.0305 137 TYR A OH 808 N N . VAL A 111 ? 0.7887 0.6622 0.6170 0.0450 0.0801 0.0152 138 VAL A N 809 C CA . VAL A 111 ? 0.7857 0.6579 0.6084 0.0363 0.0766 0.0125 138 VAL A CA 810 C C . VAL A 111 ? 0.8123 0.6661 0.6174 0.0357 0.0796 0.0082 138 VAL A C 811 O O . VAL A 111 ? 0.8402 0.6893 0.6401 0.0403 0.0863 0.0074 138 VAL A O 812 C CB . VAL A 111 ? 0.7642 0.6504 0.5955 0.0341 0.0778 0.0137 138 VAL A CB 813 C CG1 . VAL A 111 ? 0.7532 0.6355 0.5762 0.0268 0.0741 0.0112 138 VAL A CG1 814 C CG2 . VAL A 111 ? 0.7467 0.6514 0.5957 0.0340 0.0747 0.0172 138 VAL A CG2 815 N N . HIS A 112 ? 0.8226 0.6664 0.6186 0.0297 0.0749 0.0051 139 HIS A N 816 C CA . HIS A 112 ? 0.8433 0.6703 0.6222 0.0275 0.0763 0.0000 139 HIS A CA 817 C C . HIS A 112 ? 0.8456 0.6763 0.6203 0.0226 0.0734 -0.0022 139 HIS A C 818 O O . HIS A 112 ? 0.8118 0.6468 0.5879 0.0162 0.0667 -0.0037 139 HIS A O 819 C CB . HIS A 112 ? 0.8493 0.6648 0.6214 0.0226 0.0728 -0.0028 139 HIS A CB 820 C CG . HIS A 112 ? 0.8552 0.6639 0.6287 0.0276 0.0755 0.0000 139 HIS A CG 821 N ND1 . HIS A 112 ? 0.8520 0.6698 0.6362 0.0275 0.0721 0.0039 139 HIS A ND1 822 C CD2 . HIS A 112 ? 0.8699 0.6623 0.6339 0.0334 0.0813 -0.0006 139 HIS A CD2 823 C CE1 . HIS A 112 ? 0.8567 0.6643 0.6377 0.0334 0.0753 0.0061 139 HIS A CE1 824 N NE2 . HIS A 112 ? 0.8725 0.6644 0.6415 0.0373 0.0810 0.0034 139 HIS A NE2 825 N N . LYS A 113 ? 0.8733 0.7025 0.6427 0.0261 0.0787 -0.0023 140 LYS A N 826 C CA . LYS A 113 ? 0.9005 0.7310 0.6632 0.0228 0.0766 -0.0037 140 LYS A CA 827 C C . LYS A 113 ? 0.9098 0.7247 0.6536 0.0203 0.0749 -0.0095 140 LYS A C 828 O O . LYS A 113 ? 0.9440 0.7467 0.6755 0.0240 0.0809 -0.0117 140 LYS A O 829 C CB . LYS A 113 ? 0.9383 0.7740 0.7032 0.0269 0.0836 -0.0007 140 LYS A CB 830 C CG . LYS A 113 ? 0.9911 0.8262 0.7471 0.0239 0.0817 -0.0012 140 LYS A CG 831 C CD . LYS A 113 ? 1.0300 0.8733 0.7922 0.0256 0.0879 0.0027 140 LYS A CD 832 C CE . LYS A 113 ? 1.0725 0.9121 0.8233 0.0228 0.0855 0.0026 140 LYS A CE 833 N NZ . LYS A 113 ? 1.1071 0.9526 0.8626 0.0232 0.0924 0.0067 140 LYS A NZ 834 N N . VAL A 114 ? 0.9012 0.7175 0.6430 0.0140 0.0668 -0.0125 141 VAL A N 835 C CA . VAL A 114 ? 0.9177 0.7222 0.6434 0.0104 0.0633 -0.0188 141 VAL A CA 836 C C . VAL A 114 ? 0.9277 0.7344 0.6448 0.0100 0.0597 -0.0197 141 VAL A C 837 O O . VAL A 114 ? 0.9082 0.7264 0.6331 0.0079 0.0541 -0.0178 141 VAL A O 838 C CB . VAL A 114 ? 0.9102 0.7160 0.6400 0.0035 0.0564 -0.0223 141 VAL A CB 839 C CG1 . VAL A 114 ? 0.9329 0.7275 0.6472 -0.0010 0.0528 -0.0298 141 VAL A CG1 840 C CG2 . VAL A 114 ? 0.9014 0.7038 0.6384 0.0043 0.0601 -0.0204 141 VAL A CG2 841 N N . SER A 115 ? 0.9560 0.7502 0.6554 0.0125 0.0633 -0.0223 142 SER A N 842 C CA . SER A 115 ? 0.9719 0.7642 0.6579 0.0125 0.0595 -0.0237 142 SER A CA 843 C C . SER A 115 ? 0.9799 0.7622 0.6505 0.0086 0.0535 -0.0313 142 SER A C 844 O O . SER A 115 ? 1.0085 0.7791 0.6721 0.0078 0.0568 -0.0353 142 SER A O 845 C CB . SER A 115 ? 0.9909 0.7761 0.6665 0.0182 0.0687 -0.0208 142 SER A CB 846 O OG . SER A 115 ? 0.9938 0.7895 0.6856 0.0207 0.0746 -0.0145 142 SER A OG 847 N N . GLY A 116 ? 0.9659 0.7528 0.6311 0.0063 0.0445 -0.0336 143 GLY A N 848 C CA . GLY A 116 ? 0.9784 0.7587 0.6308 0.0019 0.0375 -0.0416 143 GLY A CA 849 C C . GLY A 116 ? 0.9737 0.7644 0.6258 -0.0004 0.0257 -0.0442 143 GLY A C 850 O O . GLY A 116 ? 0.9750 0.7741 0.6310 0.0029 0.0233 -0.0394 143 GLY A O 851 N N . THR A 117 ? 0.9792 0.7690 0.6267 -0.0062 0.0185 -0.0520 144 THR A N 852 C CA . THR A 117 ? 0.9758 0.7768 0.6229 -0.0083 0.0063 -0.0559 144 THR A CA 853 C C . THR A 117 ? 0.9718 0.7832 0.6329 -0.0170 0.0000 -0.0620 144 THR A C 854 O O . THR A 117 ? 0.9702 0.7744 0.6340 -0.0224 0.0046 -0.0650 144 THR A O 855 C CB . THR A 117 ? 1.0008 0.7909 0.6230 -0.0067 0.0018 -0.0611 144 THR A CB 856 O OG1 . THR A 117 ? 1.0100 0.7857 0.6209 -0.0114 0.0049 -0.0679 144 THR A OG1 857 C CG2 . THR A 117 ? 1.0054 0.7856 0.6122 0.0017 0.0078 -0.0549 144 THR A CG2 858 N N . GLY A 118 ? 0.9638 0.7917 0.6333 -0.0180 -0.0102 -0.0636 145 GLY A N 859 C CA . GLY A 118 ? 0.9562 0.7975 0.6401 -0.0264 -0.0170 -0.0700 145 GLY A CA 860 C C . GLY A 118 ? 0.9517 0.8119 0.6424 -0.0245 -0.0286 -0.0714 145 GLY A C 861 O O . GLY A 118 ? 0.9435 0.8050 0.6285 -0.0162 -0.0305 -0.0662 145 GLY A O 862 N N . PRO A 119 ? 0.9571 0.8318 0.6600 -0.0321 -0.0360 -0.0786 146 PRO A N 863 C CA . PRO A 119 ? 0.9705 0.8656 0.6818 -0.0295 -0.0475 -0.0805 146 PRO A CA 864 C C . PRO A 119 ? 0.9721 0.8791 0.6989 -0.0235 -0.0464 -0.0728 146 PRO A C 865 O O . PRO A 119 ? 0.9858 0.9004 0.7102 -0.0157 -0.0532 -0.0706 146 PRO A O 866 C CB . PRO A 119 ? 0.9635 0.8721 0.6878 -0.0407 -0.0531 -0.0902 146 PRO A CB 867 C CG . PRO A 119 ? 0.9568 0.8535 0.6851 -0.0488 -0.0426 -0.0904 146 PRO A CG 868 C CD . PRO A 119 ? 0.9617 0.8347 0.6712 -0.0434 -0.0337 -0.0853 146 PRO A CD 869 N N . CYS A 120 ? 0.9731 0.8804 0.7141 -0.0266 -0.0380 -0.0689 147 CYS A N 870 C CA . CYS A 120 ? 0.9710 0.8876 0.7260 -0.0218 -0.0359 -0.0619 147 CYS A CA 871 C C . CYS A 120 ? 0.9525 0.8907 0.7206 -0.0202 -0.0457 -0.0648 147 CYS A C 872 O O . CYS A 120 ? 0.9364 0.8783 0.7016 -0.0113 -0.0498 -0.0607 147 CYS A O 873 C CB . CYS A 120 ? 0.9975 0.9024 0.7406 -0.0125 -0.0315 -0.0536 147 CYS A CB 874 S SG . CYS A 120 ? 1.0582 0.9401 0.7865 -0.0122 -0.0198 -0.0499 147 CYS A SG 875 N N . ALA A 121 ? 0.9356 0.8876 0.7177 -0.0287 -0.0491 -0.0718 148 ALA A N 876 C CA . ALA A 121 ? 0.9125 0.8881 0.7097 -0.0279 -0.0582 -0.0759 148 ALA A CA 877 C C . ALA A 121 ? 0.8772 0.8631 0.6921 -0.0256 -0.0542 -0.0708 148 ALA A C 878 O O . ALA A 121 ? 0.8772 0.8747 0.7092 -0.0330 -0.0519 -0.0739 148 ALA A O 879 C CB . ALA A 121 ? 0.9204 0.9077 0.7266 -0.0391 -0.0626 -0.0862 148 ALA A CB 880 N N . GLY A 122 ? 0.8458 0.8263 0.6553 -0.0157 -0.0529 -0.0632 149 GLY A N 881 C CA . GLY A 122 ? 0.8090 0.7970 0.6321 -0.0124 -0.0496 -0.0584 149 GLY A CA 882 C C . GLY A 122 ? 0.8000 0.7736 0.6124 -0.0042 -0.0449 -0.0496 149 GLY A C 883 O O . GLY A 122 ? 0.7826 0.7391 0.5800 -0.0035 -0.0405 -0.0465 149 GLY A O 884 N N . ASP A 123 ? 0.7908 0.7713 0.6114 0.0015 -0.0452 -0.0459 150 ASP A N 885 C CA . ASP A 123 ? 0.7882 0.7559 0.5993 0.0089 -0.0412 -0.0380 150 ASP A CA 886 C C . ASP A 123 ? 0.7727 0.7279 0.5832 0.0048 -0.0309 -0.0331 150 ASP A C 887 O O . ASP A 123 ? 0.7841 0.7250 0.5822 0.0083 -0.0267 -0.0279 150 ASP A O 888 C CB . ASP A 123 ? 0.7925 0.7700 0.6129 0.0155 -0.0438 -0.0361 150 ASP A CB 889 C CG . ASP A 123 ? 0.8154 0.8050 0.6355 0.0226 -0.0546 -0.0399 150 ASP A CG 890 O OD1 . ASP A 123 ? 0.8369 0.8211 0.6423 0.0258 -0.0602 -0.0411 150 ASP A OD1 891 O OD2 . ASP A 123 ? 0.8256 0.8305 0.6599 0.0254 -0.0575 -0.0417 150 ASP A OD2 892 N N . PHE A 124 ? 0.7482 0.7096 0.5722 -0.0023 -0.0267 -0.0347 151 PHE A N 893 C CA . PHE A 124 ? 0.7253 0.6775 0.5505 -0.0058 -0.0180 -0.0303 151 PHE A CA 894 C C . PHE A 124 ? 0.7166 0.6682 0.5459 -0.0143 -0.0146 -0.0338 151 PHE A C 895 O O . PHE A 124 ? 0.7142 0.6758 0.5508 -0.0192 -0.0181 -0.0397 151 PHE A O 896 C CB . PHE A 124 ? 0.7038 0.6615 0.5398 -0.0046 -0.0154 -0.0271 151 PHE A CB 897 C CG . PHE A 124 ? 0.7027 0.6567 0.5330 0.0032 -0.0167 -0.0229 151 PHE A CG 898 C CD1 . PHE A 124 ? 0.7145 0.6548 0.5350 0.0055 -0.0118 -0.0173 151 PHE A CD1 899 C CD2 . PHE A 124 ? 0.7002 0.6639 0.5352 0.0084 -0.0223 -0.0245 151 PHE A CD2 900 C CE1 . PHE A 124 ? 0.7180 0.6526 0.5321 0.0118 -0.0121 -0.0134 151 PHE A CE1 901 C CE2 . PHE A 124 ? 0.7050 0.6623 0.5329 0.0161 -0.0230 -0.0203 151 PHE A CE2 902 C CZ . PHE A 124 ? 0.7126 0.6544 0.5294 0.0173 -0.0177 -0.0148 151 PHE A CZ 903 N N . ALA A 125 ? 0.7082 0.6479 0.5331 -0.0159 -0.0077 -0.0301 152 ALA A N 904 C CA . ALA A 125 ? 0.7142 0.6492 0.5403 -0.0227 -0.0035 -0.0323 152 ALA A CA 905 C C . ALA A 125 ? 0.7044 0.6426 0.5413 -0.0257 0.0011 -0.0295 152 ALA A C 906 O O . ALA A 125 ? 0.7090 0.6438 0.5461 -0.0223 0.0045 -0.0241 152 ALA A O 907 C CB . ALA A 125 ? 0.7232 0.6428 0.5367 -0.0213 0.0010 -0.0300 152 ALA A CB 908 N N . PHE A 126 ? 0.6988 0.6430 0.5436 -0.0323 0.0014 -0.0335 153 PHE A N 909 C CA . PHE A 126 ? 0.6851 0.6320 0.5384 -0.0355 0.0057 -0.0313 153 PHE A CA 910 C C . PHE A 126 ? 0.7017 0.6377 0.5513 -0.0412 0.0111 -0.0316 153 PHE A C 911 O O . PHE A 126 ? 0.7244 0.6523 0.5665 -0.0438 0.0113 -0.0347 153 PHE A O 912 C CB . PHE A 126 ? 0.6797 0.6422 0.5451 -0.0387 0.0029 -0.0356 153 PHE A CB 913 C CG . PHE A 126 ? 0.6731 0.6457 0.5426 -0.0320 -0.0018 -0.0350 153 PHE A CG 914 C CD1 . PHE A 126 ? 0.6795 0.6570 0.5461 -0.0283 -0.0085 -0.0380 153 PHE A CD1 915 C CD2 . PHE A 126 ? 0.6580 0.6342 0.5330 -0.0291 0.0000 -0.0314 153 PHE A CD2 916 C CE1 . PHE A 126 ? 0.6727 0.6575 0.5414 -0.0210 -0.0129 -0.0369 153 PHE A CE1 917 C CE2 . PHE A 126 ? 0.6579 0.6409 0.5352 -0.0225 -0.0038 -0.0308 153 PHE A CE2 918 C CZ . PHE A 126 ? 0.6641 0.6510 0.5382 -0.0181 -0.0102 -0.0333 153 PHE A CZ 919 N N . HIS A 127 ? 0.6997 0.6342 0.5531 -0.0430 0.0156 -0.0283 154 HIS A N 920 C CA . HIS A 127 ? 0.7065 0.6296 0.5556 -0.0479 0.0211 -0.0279 154 HIS A CA 921 C C . HIS A 127 ? 0.7214 0.6505 0.5768 -0.0567 0.0218 -0.0333 154 HIS A C 922 O O . HIS A 127 ? 0.7266 0.6671 0.5913 -0.0581 0.0217 -0.0337 154 HIS A O 923 C CB . HIS A 127 ? 0.6957 0.6140 0.5443 -0.0449 0.0250 -0.0215 154 HIS A CB 924 C CG . HIS A 127 ? 0.6994 0.6019 0.5393 -0.0456 0.0300 -0.0191 154 HIS A CG 925 N ND1 . HIS A 127 ? 0.7035 0.5988 0.5411 -0.0522 0.0340 -0.0206 154 HIS A ND1 926 C CD2 . HIS A 127 ? 0.7047 0.5969 0.5376 -0.0401 0.0321 -0.0152 154 HIS A CD2 927 C CE1 . HIS A 127 ? 0.7144 0.5940 0.5425 -0.0500 0.0380 -0.0174 154 HIS A CE1 928 N NE2 . HIS A 127 ? 0.7177 0.5962 0.5436 -0.0424 0.0367 -0.0142 154 HIS A NE2 929 N N . LYS A 128 ? 0.7508 0.6718 0.6010 -0.0629 0.0232 -0.0377 155 LYS A N 930 C CA . LYS A 128 ? 0.7657 0.6931 0.6225 -0.0728 0.0241 -0.0440 155 LYS A CA 931 C C . LYS A 128 ? 0.7696 0.6937 0.6287 -0.0778 0.0307 -0.0417 155 LYS A C 932 O O . LYS A 128 ? 0.7687 0.7035 0.6372 -0.0851 0.0320 -0.0459 155 LYS A O 933 C CB . LYS A 128 ? 0.7954 0.7118 0.6440 -0.0791 0.0246 -0.0493 155 LYS A CB 934 C CG . LYS A 128 ? 0.8114 0.7336 0.6580 -0.0766 0.0173 -0.0539 155 LYS A CG 935 C CD . LYS A 128 ? 0.8433 0.7511 0.6789 -0.0828 0.0185 -0.0591 155 LYS A CD 936 C CE . LYS A 128 ? 0.8642 0.7812 0.6993 -0.0833 0.0104 -0.0659 155 LYS A CE 937 N NZ . LYS A 128 ? 0.8944 0.7972 0.7187 -0.0912 0.0117 -0.0722 155 LYS A NZ 938 N N . GLU A 129 ? 0.7779 0.6875 0.6282 -0.0739 0.0351 -0.0352 156 GLU A N 939 C CA . GLU A 129 ? 0.7790 0.6831 0.6281 -0.0766 0.0410 -0.0315 156 GLU A CA 940 C C . GLU A 129 ? 0.7466 0.6613 0.6021 -0.0715 0.0401 -0.0274 156 GLU A C 941 O O . GLU A 129 ? 0.7517 0.6622 0.6051 -0.0733 0.0446 -0.0244 156 GLU A O 942 C CB . GLU A 129 ? 0.8067 0.6884 0.6416 -0.0747 0.0459 -0.0269 156 GLU A CB 943 C CG . GLU A 129 ? 0.8323 0.7004 0.6596 -0.0820 0.0488 -0.0317 156 GLU A CG 944 C CD . GLU A 129 ? 0.8654 0.7107 0.6777 -0.0776 0.0526 -0.0276 156 GLU A CD 945 O OE1 . GLU A 129 ? 0.9054 0.7372 0.7096 -0.0828 0.0550 -0.0316 156 GLU A OE1 946 O OE2 . GLU A 129 ? 0.8789 0.7198 0.6875 -0.0690 0.0531 -0.0207 156 GLU A OE2 947 N N . GLY A 130 ? 0.7265 0.6538 0.5884 -0.0654 0.0344 -0.0275 157 GLY A N 948 C CA . GLY A 130 ? 0.7052 0.6427 0.5733 -0.0612 0.0332 -0.0248 157 GLY A CA 949 C C . GLY A 130 ? 0.6848 0.6158 0.5472 -0.0539 0.0329 -0.0181 157 GLY A C 950 O O . GLY A 130 ? 0.6718 0.6097 0.5380 -0.0507 0.0318 -0.0161 157 GLY A O 951 N N . ALA A 131 ? 0.6803 0.5986 0.5341 -0.0512 0.0339 -0.0151 158 ALA A N 952 C CA . ALA A 131 ? 0.6800 0.5939 0.5300 -0.0443 0.0335 -0.0093 158 ALA A CA 953 C C . ALA A 131 ? 0.6770 0.5995 0.5315 -0.0389 0.0290 -0.0090 158 ALA A C 954 O O . ALA A 131 ? 0.6854 0.6157 0.5442 -0.0396 0.0260 -0.0129 158 ALA A O 955 C CB . ALA A 131 ? 0.6878 0.5868 0.5284 -0.0422 0.0361 -0.0067 158 ALA A CB 956 N N . PHE A 132 ? 0.6668 0.5881 0.5201 -0.0336 0.0286 -0.0043 159 PHE A N 957 C CA . PHE A 132 ? 0.6583 0.5853 0.5145 -0.0292 0.0256 -0.0034 159 PHE A CA 958 C C . PHE A 132 ? 0.6553 0.5759 0.5071 -0.0251 0.0266 -0.0013 159 PHE A C 959 O O . PHE A 132 ? 0.6728 0.5851 0.5200 -0.0241 0.0293 0.0005 159 PHE A O 960 C CB . PHE A 132 ? 0.6576 0.5897 0.5172 -0.0273 0.0247 -0.0004 159 PHE A CB 961 C CG . PHE A 132 ? 0.6562 0.5950 0.5198 -0.0301 0.0241 -0.0025 159 PHE A CG 962 C CD1 . PHE A 132 ? 0.6539 0.5997 0.5218 -0.0291 0.0216 -0.0050 159 PHE A CD1 963 C CD2 . PHE A 132 ? 0.6637 0.6007 0.5257 -0.0331 0.0263 -0.0020 159 PHE A CD2 964 C CE1 . PHE A 132 ? 0.6539 0.6061 0.5259 -0.0308 0.0215 -0.0072 159 PHE A CE1 965 C CE2 . PHE A 132 ? 0.6647 0.6078 0.5302 -0.0355 0.0267 -0.0042 159 PHE A CE2 966 C CZ . PHE A 132 ? 0.6605 0.6118 0.5317 -0.0342 0.0243 -0.0070 159 PHE A CZ 967 N N . PHE A 133 ? 0.6439 0.5677 0.4965 -0.0223 0.0248 -0.0015 160 PHE A N 968 C CA . PHE A 133 ? 0.6404 0.5600 0.4899 -0.0181 0.0265 0.0007 160 PHE A CA 969 C C . PHE A 133 ? 0.6292 0.5543 0.4838 -0.0157 0.0265 0.0045 160 PHE A C 970 O O . PHE A 133 ? 0.6120 0.5427 0.4699 -0.0163 0.0245 0.0044 160 PHE A O 971 C CB . PHE A 133 ? 0.6479 0.5665 0.4934 -0.0170 0.0251 -0.0016 160 PHE A CB 972 C CG . PHE A 133 ? 0.6581 0.5734 0.4995 -0.0203 0.0239 -0.0063 160 PHE A CG 973 C CD1 . PHE A 133 ? 0.6623 0.5678 0.4972 -0.0210 0.0267 -0.0074 160 PHE A CD1 974 C CD2 . PHE A 133 ? 0.6597 0.5821 0.5042 -0.0228 0.0200 -0.0101 160 PHE A CD2 975 C CE1 . PHE A 133 ? 0.6692 0.5713 0.5003 -0.0253 0.0256 -0.0124 160 PHE A CE1 976 C CE2 . PHE A 133 ? 0.6649 0.5866 0.5073 -0.0267 0.0184 -0.0151 160 PHE A CE2 977 C CZ . PHE A 133 ? 0.6699 0.5811 0.5054 -0.0286 0.0212 -0.0164 160 PHE A CZ 978 N N . LEU A 134 ? 0.6310 0.5544 0.4862 -0.0131 0.0286 0.0077 161 LEU A N 979 C CA . LEU A 134 ? 0.6231 0.5534 0.4843 -0.0116 0.0281 0.0107 161 LEU A CA 980 C C . LEU A 134 ? 0.6268 0.5590 0.4898 -0.0089 0.0302 0.0120 161 LEU A C 981 O O . LEU A 134 ? 0.6363 0.5640 0.4966 -0.0057 0.0332 0.0126 161 LEU A O 982 C CB . LEU A 134 ? 0.6285 0.5577 0.4899 -0.0095 0.0286 0.0135 161 LEU A CB 983 C CG . LEU A 134 ? 0.6359 0.5611 0.4935 -0.0123 0.0278 0.0130 161 LEU A CG 984 C CD1 . LEU A 134 ? 0.6437 0.5674 0.5001 -0.0090 0.0278 0.0167 161 LEU A CD1 985 C CD2 . LEU A 134 ? 0.6296 0.5607 0.4899 -0.0164 0.0253 0.0111 161 LEU A CD2 986 N N . TYR A 135 ? 0.6244 0.5621 0.4914 -0.0103 0.0293 0.0123 162 TYR A N 987 C CA . TYR A 135 ? 0.6283 0.5682 0.4976 -0.0090 0.0320 0.0137 162 TYR A CA 988 C C . TYR A 135 ? 0.6299 0.5792 0.5082 -0.0098 0.0314 0.0156 162 TYR A C 989 O O . TYR A 135 ? 0.6362 0.5888 0.5171 -0.0097 0.0289 0.0163 162 TYR A O 990 C CB . TYR A 135 ? 0.6276 0.5643 0.4924 -0.0106 0.0317 0.0123 162 TYR A CB 991 C CG . TYR A 135 ? 0.6297 0.5592 0.4861 -0.0096 0.0309 0.0099 162 TYR A CG 992 C CD1 . TYR A 135 ? 0.6401 0.5636 0.4900 -0.0071 0.0340 0.0097 162 TYR A CD1 993 C CD2 . TYR A 135 ? 0.6267 0.5562 0.4817 -0.0114 0.0272 0.0073 162 TYR A CD2 994 C CE1 . TYR A 135 ? 0.6468 0.5640 0.4882 -0.0067 0.0324 0.0069 162 TYR A CE1 995 C CE2 . TYR A 135 ? 0.6336 0.5588 0.4823 -0.0111 0.0257 0.0044 162 TYR A CE2 996 C CZ . TYR A 135 ? 0.6427 0.5615 0.4842 -0.0089 0.0279 0.0041 162 TYR A CZ 997 O OH . TYR A 135 ? 0.6488 0.5637 0.4835 -0.0090 0.0257 0.0006 162 TYR A OH 998 N N . ASP A 136 ? 0.6412 0.5948 0.5239 -0.0110 0.0337 0.0164 163 ASP A N 999 C CA . ASP A 136 ? 0.6463 0.6104 0.5388 -0.0129 0.0326 0.0175 163 ASP A CA 1000 C C . ASP A 136 ? 0.6436 0.6089 0.5361 -0.0171 0.0283 0.0161 163 ASP A C 1001 O O . ASP A 136 ? 0.6426 0.6056 0.5337 -0.0205 0.0287 0.0151 163 ASP A O 1002 C CB . ASP A 136 ? 0.6511 0.6194 0.5488 -0.0145 0.0371 0.0182 163 ASP A CB 1003 C CG . ASP A 136 ? 0.6546 0.6356 0.5638 -0.0176 0.0357 0.0184 163 ASP A CG 1004 O OD1 . ASP A 136 ? 0.6731 0.6562 0.5857 -0.0221 0.0384 0.0180 163 ASP A OD1 1005 O OD2 . ASP A 136 ? 0.6514 0.6401 0.5659 -0.0158 0.0318 0.0189 163 ASP A OD2 1006 N N . ARG A 137 ? 0.6477 0.6152 0.5403 -0.0164 0.0247 0.0162 164 ARG A N 1007 C CA . ARG A 137 ? 0.6458 0.6140 0.5371 -0.0198 0.0209 0.0148 164 ARG A CA 1008 C C . ARG A 137 ? 0.6429 0.6033 0.5276 -0.0215 0.0209 0.0126 164 ARG A C 1009 O O . ARG A 137 ? 0.6315 0.5918 0.5152 -0.0243 0.0190 0.0110 164 ARG A O 1010 C CB . ARG A 137 ? 0.6492 0.6258 0.5476 -0.0234 0.0195 0.0145 164 ARG A CB 1011 C CG . ARG A 137 ? 0.6573 0.6446 0.5635 -0.0211 0.0177 0.0162 164 ARG A CG 1012 C CD . ARG A 137 ? 0.6689 0.6668 0.5846 -0.0254 0.0171 0.0154 164 ARG A CD 1013 N NE . ARG A 137 ? 0.6796 0.6779 0.5994 -0.0264 0.0227 0.0157 164 ARG A NE 1014 C CZ . ARG A 137 ? 0.6928 0.6944 0.6176 -0.0321 0.0248 0.0144 164 ARG A CZ 1015 N NH1 . ARG A 137 ? 0.6900 0.6900 0.6166 -0.0325 0.0310 0.0152 164 ARG A NH1 1016 N NH2 . ARG A 137 ? 0.7071 0.7124 0.6342 -0.0378 0.0214 0.0122 164 ARG A NH2 1017 N N . LEU A 138 ? 0.6398 0.5942 0.5199 -0.0194 0.0227 0.0122 165 LEU A N 1018 C CA . LEU A 138 ? 0.6409 0.5901 0.5158 -0.0197 0.0219 0.0099 165 LEU A CA 1019 C C . LEU A 138 ? 0.6371 0.5831 0.5085 -0.0180 0.0221 0.0091 165 LEU A C 1020 O O . LEU A 138 ? 0.6267 0.5703 0.4967 -0.0159 0.0240 0.0100 165 LEU A O 1021 C CB . LEU A 138 ? 0.6426 0.5874 0.5145 -0.0194 0.0234 0.0097 165 LEU A CB 1022 C CG . LEU A 138 ? 0.6479 0.5933 0.5218 -0.0223 0.0240 0.0101 165 LEU A CG 1023 C CD1 . LEU A 138 ? 0.6606 0.5996 0.5303 -0.0220 0.0271 0.0110 165 LEU A CD1 1024 C CD2 . LEU A 138 ? 0.6464 0.5906 0.5188 -0.0239 0.0216 0.0080 165 LEU A CD2 1025 N N . ALA A 139 ? 0.6445 0.5904 0.5147 -0.0193 0.0205 0.0071 166 ALA A N 1026 C CA . ALA A 139 ? 0.6498 0.5929 0.5172 -0.0194 0.0209 0.0055 166 ALA A CA 1027 C C . ALA A 139 ? 0.6485 0.5918 0.5147 -0.0192 0.0195 0.0024 166 ALA A C 1028 O O . ALA A 139 ? 0.6479 0.5938 0.5156 -0.0196 0.0182 0.0011 166 ALA A O 1029 C CB . ALA A 139 ? 0.6484 0.5921 0.5158 -0.0216 0.0208 0.0052 166 ALA A CB 1030 N N . SER A 140 ? 0.6522 0.5923 0.5149 -0.0181 0.0196 0.0012 167 SER A N 1031 C CA . SER A 140 ? 0.6514 0.5929 0.5128 -0.0173 0.0172 -0.0018 167 SER A CA 1032 C C . SER A 140 ? 0.6488 0.5916 0.5107 -0.0200 0.0166 -0.0052 167 SER A C 1033 O O . SER A 140 ? 0.6483 0.5868 0.5082 -0.0217 0.0187 -0.0048 167 SER A O 1034 C CB . SER A 140 ? 0.6565 0.5934 0.5120 -0.0141 0.0169 -0.0011 167 SER A CB 1035 O OG . SER A 140 ? 0.6551 0.5939 0.5089 -0.0122 0.0135 -0.0037 167 SER A OG 1036 N N . THR A 141 ? 0.6459 0.5946 0.5106 -0.0202 0.0138 -0.0087 168 THR A N 1037 C CA . THR A 141 ? 0.6442 0.5963 0.5106 -0.0235 0.0128 -0.0130 168 THR A CA 1038 C C . THR A 141 ? 0.6489 0.5970 0.5092 -0.0224 0.0109 -0.0148 168 THR A C 1039 O O . THR A 141 ? 0.6580 0.6076 0.5187 -0.0260 0.0100 -0.0189 168 THR A O 1040 C CB . THR A 141 ? 0.6373 0.6001 0.5108 -0.0235 0.0102 -0.0167 168 THR A CB 1041 O OG1 . THR A 141 ? 0.6375 0.6018 0.5092 -0.0178 0.0066 -0.0165 168 THR A OG1 1042 C CG2 . THR A 141 ? 0.6359 0.6017 0.5140 -0.0251 0.0128 -0.0156 168 THR A CG2 1043 N N . VAL A 142 ? 0.6511 0.5936 0.5050 -0.0179 0.0106 -0.0122 169 VAL A N 1044 C CA . VAL A 142 ? 0.6613 0.5987 0.5069 -0.0162 0.0090 -0.0137 169 VAL A CA 1045 C C . VAL A 142 ? 0.6566 0.5840 0.4948 -0.0140 0.0130 -0.0100 169 VAL A C 1046 O O . VAL A 142 ? 0.6460 0.5721 0.4865 -0.0131 0.0163 -0.0060 169 VAL A O 1047 C CB . VAL A 142 ? 0.6701 0.6110 0.5128 -0.0118 0.0039 -0.0151 169 VAL A CB 1048 C CG1 . VAL A 142 ? 0.6717 0.6248 0.5236 -0.0129 0.0000 -0.0190 169 VAL A CG1 1049 C CG2 . VAL A 142 ? 0.6703 0.6068 0.5095 -0.0072 0.0053 -0.0104 169 VAL A CG2 1050 N N . ILE A 143 ? 0.6632 0.5845 0.4926 -0.0132 0.0126 -0.0119 170 ILE A N 1051 C CA . ILE A 143 ? 0.6698 0.5815 0.4915 -0.0109 0.0170 -0.0093 170 ILE A CA 1052 C C . ILE A 143 ? 0.6775 0.5859 0.4917 -0.0064 0.0167 -0.0071 170 ILE A C 1053 O O . ILE A 143 ? 0.6744 0.5833 0.4829 -0.0046 0.0121 -0.0095 170 ILE A O 1054 C CB . ILE A 143 ? 0.6815 0.5858 0.4957 -0.0126 0.0179 -0.0129 170 ILE A CB 1055 C CG1 . ILE A 143 ? 0.6776 0.5822 0.4976 -0.0174 0.0193 -0.0144 170 ILE A CG1 1056 C CG2 . ILE A 143 ? 0.6953 0.5897 0.5011 -0.0092 0.0232 -0.0104 170 ILE A CG2 1057 C CD1 . ILE A 143 ? 0.6932 0.5894 0.5057 -0.0206 0.0200 -0.0188 170 ILE A CD1 1058 N N . TYR A 144 ? 0.6843 0.5896 0.4986 -0.0046 0.0217 -0.0027 171 TYR A N 1059 C CA . TYR A 144 ? 0.7055 0.6052 0.5114 -0.0012 0.0235 -0.0001 171 TYR A CA 1060 C C . TYR A 144 ? 0.7171 0.6076 0.5124 0.0006 0.0281 0.0000 171 TYR A C 1061 O O . TYR A 144 ? 0.7083 0.5972 0.5057 -0.0001 0.0318 -0.0002 171 TYR A O 1062 C CB . TYR A 144 ? 0.7107 0.6130 0.5233 -0.0014 0.0267 0.0039 171 TYR A CB 1063 C CG . TYR A 144 ? 0.7073 0.6170 0.5285 -0.0030 0.0227 0.0034 171 TYR A CG 1064 C CD1 . TYR A 144 ? 0.7118 0.6222 0.5297 -0.0009 0.0176 0.0016 171 TYR A CD1 1065 C CD2 . TYR A 144 ? 0.6968 0.6128 0.5290 -0.0058 0.0240 0.0045 171 TYR A CD2 1066 C CE1 . TYR A 144 ? 0.7115 0.6287 0.5373 -0.0017 0.0147 0.0008 171 TYR A CE1 1067 C CE2 . TYR A 144 ? 0.6895 0.6111 0.5279 -0.0071 0.0209 0.0037 171 TYR A CE2 1068 C CZ . TYR A 144 ? 0.6965 0.6186 0.5320 -0.0051 0.0168 0.0018 171 TYR A CZ 1069 O OH . TYR A 144 ? 0.7049 0.6325 0.5466 -0.0057 0.0145 0.0007 171 TYR A OH 1070 N N . ARG A 145 ? 0.7293 0.6126 0.5120 0.0036 0.0281 0.0006 172 ARG A N 1071 C CA . ARG A 145 ? 0.7416 0.6149 0.5116 0.0056 0.0326 0.0004 172 ARG A CA 1072 C C . ARG A 145 ? 0.7207 0.5937 0.4959 0.0058 0.0413 0.0041 172 ARG A C 1073 O O . ARG A 145 ? 0.7067 0.5832 0.4884 0.0051 0.0440 0.0077 172 ARG A O 1074 C CB . ARG A 145 ? 0.7748 0.6400 0.5291 0.0092 0.0310 0.0012 172 ARG A CB 1075 C CG . ARG A 145 ? 0.8145 0.6678 0.5520 0.0115 0.0352 0.0004 172 ARG A CG 1076 C CD . ARG A 145 ? 0.8461 0.6899 0.5681 0.0151 0.0364 0.0035 172 ARG A CD 1077 N NE . ARG A 145 ? 0.8675 0.7134 0.5857 0.0172 0.0271 0.0023 172 ARG A NE 1078 C CZ . ARG A 145 ? 0.8958 0.7359 0.6053 0.0206 0.0262 0.0058 172 ARG A CZ 1079 N NH1 . ARG A 145 ? 0.9223 0.7533 0.6253 0.0211 0.0345 0.0107 172 ARG A NH1 1080 N NH2 . ARG A 145 ? 0.9091 0.7527 0.6167 0.0237 0.0170 0.0042 172 ARG A NH2 1081 N N . GLY A 146 ? 0.7188 0.5878 0.4917 0.0066 0.0457 0.0029 173 GLY A N 1082 C CA . GLY A 146 ? 0.7181 0.5867 0.4943 0.0081 0.0545 0.0059 173 GLY A CA 1083 C C . GLY A 146 ? 0.7038 0.5839 0.4978 0.0065 0.0563 0.0089 173 GLY A C 1084 O O . GLY A 146 ? 0.7058 0.5887 0.5045 0.0071 0.0628 0.0118 173 GLY A O 1085 N N . THR A 147 ? 0.6971 0.5842 0.5006 0.0042 0.0506 0.0080 174 THR A N 1086 C CA . THR A 147 ? 0.6806 0.5785 0.4993 0.0024 0.0506 0.0104 174 THR A CA 1087 C C . THR A 147 ? 0.6719 0.5724 0.4968 0.0027 0.0493 0.0095 174 THR A C 1088 O O . THR A 147 ? 0.6640 0.5613 0.4853 0.0013 0.0450 0.0066 174 THR A O 1089 C CB . THR A 147 ? 0.6788 0.5809 0.5009 -0.0004 0.0452 0.0106 174 THR A CB 1090 O OG1 . THR A 147 ? 0.6924 0.5884 0.5052 0.0001 0.0461 0.0115 174 THR A OG1 1091 C CG2 . THR A 147 ? 0.6685 0.5807 0.5045 -0.0026 0.0455 0.0128 174 THR A CG2 1092 N N . THR A 148 ? 0.6708 0.5773 0.5050 0.0045 0.0530 0.0118 175 THR A N 1093 C CA . THR A 148 ? 0.6698 0.5762 0.5075 0.0064 0.0528 0.0117 175 THR A CA 1094 C C . THR A 148 ? 0.6673 0.5790 0.5114 0.0033 0.0470 0.0117 175 THR A C 1095 O O . THR A 148 ? 0.6567 0.5768 0.5083 0.0009 0.0447 0.0130 175 THR A O 1096 C CB . THR A 148 ? 0.6696 0.5821 0.5157 0.0108 0.0581 0.0144 175 THR A CB 1097 O OG1 . THR A 148 ? 0.6746 0.5816 0.5141 0.0136 0.0646 0.0140 175 THR A OG1 1098 C CG2 . THR A 148 ? 0.6763 0.5866 0.5240 0.0143 0.0578 0.0148 175 THR A CG2 1099 N N . PHE A 149 ? 0.6745 0.5799 0.5143 0.0030 0.0453 0.0100 176 PHE A N 1100 C CA . PHE A 149 ? 0.6664 0.5751 0.5103 -0.0001 0.0410 0.0099 176 PHE A CA 1101 C C . PHE A 149 ? 0.6727 0.5746 0.5138 0.0012 0.0419 0.0101 176 PHE A C 1102 O O . PHE A 149 ? 0.6783 0.5700 0.5119 0.0035 0.0451 0.0089 176 PHE A O 1103 C CB . PHE A 149 ? 0.6666 0.5743 0.5067 -0.0046 0.0369 0.0065 176 PHE A CB 1104 C CG . PHE A 149 ? 0.6709 0.5690 0.5014 -0.0059 0.0368 0.0026 176 PHE A CG 1105 C CD1 . PHE A 149 ? 0.6773 0.5698 0.5055 -0.0083 0.0366 0.0009 176 PHE A CD1 1106 C CD2 . PHE A 149 ? 0.6784 0.5724 0.5012 -0.0052 0.0368 0.0004 176 PHE A CD2 1107 C CE1 . PHE A 149 ? 0.6876 0.5714 0.5073 -0.0109 0.0365 -0.0034 176 PHE A CE1 1108 C CE2 . PHE A 149 ? 0.6949 0.5808 0.5086 -0.0070 0.0359 -0.0038 176 PHE A CE2 1109 C CZ . PHE A 149 ? 0.6920 0.5731 0.5048 -0.0103 0.0357 -0.0061 176 PHE A CZ 1110 N N . ALA A 150 ? 0.6639 0.5700 0.5098 -0.0002 0.0393 0.0117 177 ALA A N 1111 C CA . ALA A 150 ? 0.6729 0.5708 0.5143 0.0001 0.0399 0.0123 177 ALA A CA 1112 C C . ALA A 150 ? 0.6685 0.5656 0.5082 -0.0064 0.0371 0.0096 177 ALA A C 1113 O O . ALA A 150 ? 0.6615 0.5678 0.5068 -0.0092 0.0340 0.0092 177 ALA A O 1114 C CB . ALA A 150 ? 0.6717 0.5751 0.5187 0.0044 0.0393 0.0166 177 ALA A CB 1115 N N . GLU A 151 ? 0.6796 0.5656 0.5118 -0.0090 0.0387 0.0076 178 GLU A N 1116 C CA . GLU A 151 ? 0.6826 0.5689 0.5146 -0.0157 0.0371 0.0050 178 GLU A CA 1117 C C . GLU A 151 ? 0.6891 0.5770 0.5227 -0.0151 0.0367 0.0087 178 GLU A C 1118 O O . GLU A 151 ? 0.7072 0.5895 0.5378 -0.0101 0.0384 0.0125 178 GLU A O 1119 C CB . GLU A 151 ? 0.6951 0.5685 0.5186 -0.0199 0.0396 0.0015 178 GLU A CB 1120 C CG . GLU A 151 ? 0.7005 0.5699 0.5196 -0.0208 0.0397 -0.0027 178 GLU A CG 1121 C CD . GLU A 151 ? 0.7187 0.5723 0.5279 -0.0243 0.0431 -0.0056 178 GLU A CD 1122 O OE1 . GLU A 151 ? 0.7227 0.5763 0.5316 -0.0319 0.0421 -0.0103 178 GLU A OE1 1123 O OE2 . GLU A 151 ? 0.7302 0.5714 0.5322 -0.0194 0.0470 -0.0034 178 GLU A OE2 1124 N N . GLY A 152 ? 0.6752 0.5704 0.5129 -0.0196 0.0346 0.0076 179 GLY A N 1125 C CA . GLY A 152 ? 0.6626 0.5592 0.5003 -0.0192 0.0341 0.0109 179 GLY A CA 1126 C C . GLY A 152 ? 0.6414 0.5451 0.4825 -0.0244 0.0327 0.0089 179 GLY A C 1127 O O . GLY A 152 ? 0.6360 0.5442 0.4805 -0.0284 0.0321 0.0047 179 GLY A O 1128 N N . VAL A 153 ? 0.6359 0.5406 0.4757 -0.0237 0.0321 0.0118 180 VAL A N 1129 C CA . VAL A 153 ? 0.6298 0.5395 0.4710 -0.0281 0.0318 0.0102 180 VAL A CA 1130 C C . VAL A 153 ? 0.6250 0.5409 0.4675 -0.0252 0.0287 0.0130 180 VAL A C 1131 O O . VAL A 153 ? 0.6280 0.5439 0.4700 -0.0202 0.0270 0.0165 180 VAL A O 1132 C CB . VAL A 153 ? 0.6378 0.5377 0.4715 -0.0328 0.0361 0.0098 180 VAL A CB 1133 C CG1 . VAL A 153 ? 0.6377 0.5364 0.4734 -0.0384 0.0384 0.0049 180 VAL A CG1 1134 C CG2 . VAL A 153 ? 0.6487 0.5352 0.4722 -0.0290 0.0380 0.0145 180 VAL A CG2 1135 N N . VAL A 154 ? 0.6169 0.5387 0.4615 -0.0284 0.0281 0.0111 181 VAL A N 1136 C CA . VAL A 154 ? 0.6120 0.5397 0.4576 -0.0267 0.0248 0.0125 181 VAL A CA 1137 C C . VAL A 154 ? 0.6242 0.5483 0.4623 -0.0288 0.0260 0.0133 181 VAL A C 1138 O O . VAL A 154 ? 0.6254 0.5471 0.4613 -0.0331 0.0297 0.0110 181 VAL A O 1139 C CB . VAL A 154 ? 0.6012 0.5378 0.4544 -0.0276 0.0229 0.0095 181 VAL A CB 1140 C CG1 . VAL A 154 ? 0.6012 0.5425 0.4547 -0.0269 0.0197 0.0104 181 VAL A CG1 1141 C CG2 . VAL A 154 ? 0.5980 0.5366 0.4564 -0.0254 0.0222 0.0091 181 VAL A CG2 1142 N N . ALA A 155 ? 0.6317 0.5562 0.4657 -0.0258 0.0229 0.0165 182 ALA A N 1143 C CA . ALA A 155 ? 0.6495 0.5701 0.4741 -0.0269 0.0231 0.0176 182 ALA A CA 1144 C C . ALA A 155 ? 0.6534 0.5822 0.4804 -0.0268 0.0186 0.0165 182 ALA A C 1145 O O . ALA A 155 ? 0.6475 0.5836 0.4819 -0.0247 0.0148 0.0165 182 ALA A O 1146 C CB . ALA A 155 ? 0.6656 0.5769 0.4798 -0.0229 0.0227 0.0226 182 ALA A CB 1147 N N . PHE A 156 ? 0.6744 0.6011 0.4942 -0.0294 0.0197 0.0151 183 PHE A N 1148 C CA . PHE A 156 ? 0.6785 0.6102 0.4971 -0.0298 0.0157 0.0137 183 PHE A CA 1149 C C . PHE A 156 ? 0.7018 0.6274 0.5064 -0.0286 0.0141 0.0165 183 PHE A C 1150 O O . PHE A 156 ? 0.6997 0.6161 0.4943 -0.0298 0.0187 0.0178 183 PHE A O 1151 C CB . PHE A 156 ? 0.6698 0.6040 0.4915 -0.0334 0.0184 0.0089 183 PHE A CB 1152 C CG . PHE A 156 ? 0.6598 0.5987 0.4930 -0.0337 0.0198 0.0066 183 PHE A CG 1153 C CD1 . PHE A 156 ? 0.6623 0.5997 0.4981 -0.0352 0.0244 0.0053 183 PHE A CD1 1154 C CD2 . PHE A 156 ? 0.6556 0.6001 0.4965 -0.0327 0.0164 0.0057 183 PHE A CD2 1155 C CE1 . PHE A 156 ? 0.6557 0.5977 0.5009 -0.0349 0.0247 0.0031 183 PHE A CE1 1156 C CE2 . PHE A 156 ? 0.6429 0.5900 0.4919 -0.0323 0.0176 0.0040 183 PHE A CE2 1157 C CZ . PHE A 156 ? 0.6493 0.5955 0.5002 -0.0330 0.0212 0.0027 183 PHE A CZ 1158 N N . LEU A 157 ? 0.7175 0.6482 0.5210 -0.0266 0.0076 0.0173 184 LEU A N 1159 C CA . LEU A 157 ? 0.7450 0.6712 0.5349 -0.0242 0.0040 0.0203 184 LEU A CA 1160 C C . LEU A 157 ? 0.7609 0.6924 0.5479 -0.0262 -0.0010 0.0172 184 LEU A C 1161 O O . LEU A 157 ? 0.7294 0.6697 0.5273 -0.0282 -0.0037 0.0140 184 LEU A O 1162 C CB . LEU A 157 ? 0.7578 0.6870 0.5497 -0.0180 -0.0010 0.0248 184 LEU A CB 1163 C CG . LEU A 157 ? 0.7635 0.6871 0.5579 -0.0146 0.0026 0.0281 184 LEU A CG 1164 C CD1 . LEU A 157 ? 0.7679 0.6994 0.5693 -0.0082 -0.0031 0.0311 184 LEU A CD1 1165 C CD2 . LEU A 157 ? 0.7848 0.6926 0.5629 -0.0138 0.0073 0.0315 184 LEU A CD2 1166 N N . ILE A 158 ? 0.8167 0.7412 0.5875 -0.0259 -0.0021 0.0183 185 ILE A N 1167 C CA . ILE A 158 ? 0.8579 0.7866 0.6225 -0.0265 -0.0091 0.0163 185 ILE A CA 1168 C C . ILE A 158 ? 0.8755 0.8055 0.6342 -0.0203 -0.0160 0.0214 185 ILE A C 1169 O O . ILE A 158 ? 0.9116 0.8304 0.6544 -0.0171 -0.0146 0.0255 185 ILE A O 1170 C CB . ILE A 158 ? 0.8931 0.8122 0.6409 -0.0296 -0.0058 0.0140 185 ILE A CB 1171 C CG1 . ILE A 158 ? 0.8996 0.8163 0.6527 -0.0341 0.0027 0.0097 185 ILE A CG1 1172 C CG2 . ILE A 158 ? 0.9013 0.8247 0.6431 -0.0312 -0.0133 0.0106 185 ILE A CG2 1173 C CD1 . ILE A 158 ? 0.9325 0.8405 0.6701 -0.0368 0.0071 0.0070 185 ILE A CD1 1174 N N . LEU A 159 ? 0.8868 0.8303 0.6581 -0.0183 -0.0232 0.0212 186 LEU A N 1175 C CA . LEU A 159 ? 0.9247 0.8730 0.6926 -0.0114 -0.0312 0.0255 186 LEU A CA 1176 C C . LEU A 159 ? 0.9803 0.9285 0.7335 -0.0120 -0.0383 0.0240 186 LEU A C 1177 O O . LEU A 159 ? 0.9810 0.9292 0.7317 -0.0185 -0.0379 0.0186 186 LEU A O 1178 C CB . LEU A 159 ? 0.9055 0.8710 0.6939 -0.0096 -0.0361 0.0249 186 LEU A CB 1179 C CG . LEU A 159 ? 0.8983 0.8651 0.7016 -0.0094 -0.0296 0.0256 186 LEU A CG 1180 C CD1 . LEU A 159 ? 0.8865 0.8708 0.7087 -0.0077 -0.0343 0.0250 186 LEU A CD1 1181 C CD2 . LEU A 159 ? 0.9066 0.8603 0.7018 -0.0039 -0.0244 0.0308 186 LEU A CD2 1182 N N . PRO A 160 ? 1.0478 0.9951 0.7898 -0.0049 -0.0450 0.0286 187 PRO A N 1183 C CA . PRO A 160 ? 1.0944 1.0442 0.8232 -0.0053 -0.0536 0.0267 187 PRO A CA 1184 C C . PRO A 160 ? 1.1266 1.0972 0.8719 -0.0083 -0.0629 0.0217 187 PRO A C 1185 O O . PRO A 160 ? 1.1238 1.1073 0.8905 -0.0084 -0.0629 0.0211 187 PRO A O 1186 C CB . PRO A 160 ? 1.1089 1.0521 0.8220 0.0047 -0.0585 0.0338 187 PRO A CB 1187 C CG . PRO A 160 ? 1.0954 1.0271 0.8094 0.0087 -0.0497 0.0391 187 PRO A CG 1188 C CD . PRO A 160 ? 1.0647 1.0066 0.8028 0.0041 -0.0450 0.0356 187 PRO A CD 1189 N N . GLN A 161 ? 1.1924 1.1658 0.9273 -0.0112 -0.0703 0.0179 188 GLN A N 1190 C CA . GLN A 161 ? 1.2389 1.2314 0.9883 -0.0159 -0.0791 0.0122 188 GLN A CA 1191 C C . GLN A 161 ? 1.2700 1.2823 1.0345 -0.0091 -0.0884 0.0150 188 GLN A C 1192 O O . GLN A 161 ? 1.2494 1.2794 1.0356 -0.0133 -0.0910 0.0112 188 GLN A O 1193 C CB . GLN A 161 ? 1.2899 1.2796 1.0220 -0.0206 -0.0856 0.0072 188 GLN A CB 1194 C CG . GLN A 161 ? 1.3097 1.2827 1.0293 -0.0278 -0.0766 0.0030 188 GLN A CG 1195 C CD . GLN A 161 ? 1.3604 1.3308 1.0631 -0.0327 -0.0833 -0.0027 188 GLN A CD 1196 O OE1 . GLN A 161 ? 1.3855 1.3415 1.0638 -0.0306 -0.0824 -0.0014 188 GLN A OE1 1197 N NE2 . GLN A 161 ? 1.3681 1.3521 1.0830 -0.0396 -0.0897 -0.0094 188 GLN A NE2 1198 N N . ALA A 162 ? 1.3290 1.3380 1.0823 0.0015 -0.0928 0.0216 189 ALA A N 1199 C CA . ALA A 162 ? 1.3759 1.4044 1.1419 0.0100 -0.1028 0.0244 189 ALA A CA 1200 C C . ALA A 162 ? 1.4081 1.4322 1.1781 0.0208 -0.0983 0.0321 189 ALA A C 1201 O O . ALA A 162 ? 1.3796 1.4118 1.1703 0.0201 -0.0931 0.0318 189 ALA A O 1202 C CB . ALA A 162 ? 1.3993 1.4321 1.1489 0.0145 -0.1158 0.0246 189 ALA A CB 1203 N N . LYS A 163 ? 1.4871 1.4968 1.2360 0.0307 -0.0998 0.0388 190 LYS A N 1204 C CA . LYS A 163 ? 1.5171 1.5210 1.2668 0.0423 -0.0968 0.0464 190 LYS A CA 1205 C C . LYS A 163 ? 1.5505 1.5245 1.2779 0.0432 -0.0858 0.0513 190 LYS A C 1206 O O . LYS A 163 ? 1.5467 1.5047 1.2495 0.0424 -0.0858 0.0525 190 LYS A O 1207 C CB . LYS A 163 ? 1.5220 1.5360 1.2669 0.0552 -0.1095 0.0507 190 LYS A CB 1208 N N . LYS A 164 ? 1.5447 1.5112 1.2803 0.0448 -0.0762 0.0539 191 LYS A N 1209 C CA . LYS A 164 ? 1.5462 1.4880 1.2681 0.0410 -0.0636 0.0559 191 LYS A CA 1210 C C . LYS A 164 ? 1.5700 1.4905 1.2745 0.0506 -0.0592 0.0640 191 LYS A C 1211 O O . LYS A 164 ? 1.5570 1.4607 1.2572 0.0470 -0.0481 0.0650 191 LYS A O 1212 C CB . LYS A 164 ? 1.5127 1.4595 1.2554 0.0331 -0.0550 0.0516 191 LYS A CB 1213 N N . ASP A 165 ? 1.6199 1.5402 1.3138 0.0626 -0.0678 0.0695 192 ASP A N 1214 C CA . ASP A 165 ? 1.6428 1.5393 1.3167 0.0726 -0.0635 0.0777 192 ASP A CA 1215 C C . ASP A 165 ? 1.6897 1.5822 1.3438 0.0857 -0.0741 0.0839 192 ASP A C 1216 O O . ASP A 165 ? 1.7104 1.6242 1.3716 0.0893 -0.0867 0.0820 192 ASP A O 1217 C CB . ASP A 165 ? 1.6123 1.5089 1.3020 0.0775 -0.0578 0.0795 192 ASP A CB 1218 C CG . ASP A 165 ? 1.5775 1.5042 1.2970 0.0797 -0.0644 0.0757 192 ASP A CG 1219 O OD1 . ASP A 165 ? 1.5371 1.4672 1.2736 0.0776 -0.0577 0.0740 192 ASP A OD1 1220 O OD2 . ASP A 165 ? 1.5720 1.5189 1.2978 0.0829 -0.0761 0.0742 192 ASP A OD2 1221 N N . PHE A 166 ? 1.7108 1.5750 1.3394 0.0924 -0.0686 0.0913 193 PHE A N 1222 C CA . PHE A 166 ? 1.7300 1.5847 1.3361 0.1069 -0.0772 0.0989 193 PHE A CA 1223 C C . PHE A 166 ? 1.7555 1.6196 1.3749 0.1217 -0.0821 0.1030 193 PHE A C 1224 O O . PHE A 166 ? 1.7701 1.6380 1.4090 0.1201 -0.0751 0.1013 193 PHE A O 1225 C CB . PHE A 166 ? 1.7332 1.5506 1.3051 0.1073 -0.0674 0.1054 193 PHE A CB 1226 N N . PHE A 167 ? 1.7815 1.6497 1.3904 0.1364 -0.0942 0.1082 194 PHE A N 1227 C CA . PHE A 167 ? 1.7848 1.6616 1.4048 0.1528 -0.0992 0.1127 194 PHE A CA 1228 C C . PHE A 167 ? 1.8252 1.6967 1.4230 0.1702 -0.1114 0.1202 194 PHE A C 1229 O O . PHE A 167 ? 1.8370 1.7283 1.4352 0.1721 -0.1250 0.1181 194 PHE A O 1230 C CB . PHE A 167 ? 1.7493 1.6651 1.4082 0.1510 -0.1055 0.1057 194 PHE A CB 1231 N N . SER A 184 ? 1.3959 1.8232 1.3940 0.1892 -0.1094 -0.1395 211 SER A N 1232 C CA . SER A 184 ? 1.3770 1.7591 1.3671 0.1815 -0.0883 -0.1285 211 SER A CA 1233 C C . SER A 184 ? 1.3269 1.7038 1.3326 0.1422 -0.0689 -0.1336 211 SER A C 1234 O O . SER A 184 ? 1.3196 1.6692 1.3063 0.1226 -0.0670 -0.1289 211 SER A O 1235 C CB . SER A 184 ? 1.4065 1.7151 1.3438 0.1942 -0.0882 -0.1067 211 SER A CB 1236 O OG . SER A 184 ? 1.4332 1.7354 1.3507 0.2322 -0.1009 -0.1003 211 SER A OG 1237 N N . GLY A 185 ? 1.2621 1.6619 1.2996 0.1320 -0.0534 -0.1431 212 GLY A N 1238 C CA . GLY A 185 ? 1.1942 1.5833 1.2417 0.0978 -0.0326 -0.1474 212 GLY A CA 1239 C C . GLY A 185 ? 1.1473 1.4679 1.1603 0.0910 -0.0208 -0.1292 212 GLY A C 1240 O O . GLY A 185 ? 1.1659 1.4473 1.1481 0.1095 -0.0277 -0.1142 212 GLY A O 1241 N N . TYR A 186 ? 1.0642 1.3704 1.0815 0.0646 -0.0026 -0.1315 213 TYR A N 1242 C CA . TYR A 186 ? 1.0063 1.2537 0.9942 0.0563 0.0074 -0.1167 213 TYR A CA 1243 C C . TYR A 186 ? 1.0055 1.2390 0.9960 0.0582 0.0220 -0.1154 213 TYR A C 1244 O O . TYR A 186 ? 0.9982 1.2512 1.0091 0.0436 0.0364 -0.1264 213 TYR A O 1245 C CB . TYR A 186 ? 0.9568 1.1903 0.9397 0.0285 0.0162 -0.1183 213 TYR A CB 1246 C CG . TYR A 186 ? 0.9228 1.1029 0.8805 0.0197 0.0269 -0.1057 213 TYR A CG 1247 C CD1 . TYR A 186 ? 0.9187 1.0598 0.8504 0.0333 0.0206 -0.0911 213 TYR A CD1 1248 C CD2 . TYR A 186 ? 0.8979 1.0661 0.8563 -0.0017 0.0435 -0.1092 213 TYR A CD2 1249 C CE1 . TYR A 186 ? 0.9034 1.0025 0.8159 0.0256 0.0286 -0.0820 213 TYR A CE1 1250 C CE2 . TYR A 186 ? 0.8904 1.0128 0.8255 -0.0066 0.0508 -0.0982 213 TYR A CE2 1251 C CZ . TYR A 186 ? 0.8909 0.9824 0.8057 0.0070 0.0423 -0.0853 213 TYR A CZ 1252 O OH . TYR A 186 ? 0.8816 0.9342 0.7769 0.0023 0.0478 -0.0767 213 TYR A OH 1253 N N . TYR A 187 ? 1.0178 1.2152 0.9850 0.0751 0.0195 -0.1025 214 TYR A N 1254 C CA . TYR A 187 ? 1.0315 1.2070 0.9935 0.0774 0.0325 -0.0996 214 TYR A CA 1255 C C . TYR A 187 ? 0.9776 1.0981 0.9074 0.0708 0.0356 -0.0863 214 TYR A C 1256 O O . TYR A 187 ? 0.9968 1.0926 0.9057 0.0790 0.0259 -0.0767 214 TYR A O 1257 C CB . TYR A 187 ? 1.0925 1.2750 1.0555 0.1049 0.0276 -0.0983 214 TYR A CB 1258 C CG . TYR A 187 ? 1.1500 1.3858 1.1392 0.1212 0.0158 -0.1085 214 TYR A CG 1259 C CD1 . TYR A 187 ? 1.1825 1.4175 1.1572 0.1409 -0.0023 -0.1026 214 TYR A CD1 1260 C CD2 . TYR A 187 ? 1.1768 1.4643 1.2045 0.1174 0.0228 -0.1252 214 TYR A CD2 1261 C CE1 . TYR A 187 ? 1.2125 1.4979 1.2091 0.1589 -0.0159 -0.1123 214 TYR A CE1 1262 C CE2 . TYR A 187 ? 1.2033 1.5467 1.2590 0.1334 0.0100 -0.1368 214 TYR A CE2 1263 C CZ . TYR A 187 ? 1.2215 1.5645 1.2612 0.1555 -0.0108 -0.1300 214 TYR A CZ 1264 O OH . TYR A 187 ? 1.2329 1.6327 1.2984 0.1742 -0.0262 -0.1417 214 TYR A OH 1265 N N . SER A 188 ? 0.9152 1.0170 0.8405 0.0562 0.0494 -0.0866 215 SER A N 1266 C CA . SER A 188 ? 0.8761 0.9313 0.7740 0.0508 0.0516 -0.0761 215 SER A CA 1267 C C . SER A 188 ? 0.8625 0.8982 0.7509 0.0555 0.0614 -0.0751 215 SER A C 1268 O O . SER A 188 ? 0.8667 0.9180 0.7680 0.0511 0.0732 -0.0832 215 SER A O 1269 C CB . SER A 188 ? 0.8557 0.9020 0.7507 0.0301 0.0575 -0.0768 215 SER A CB 1270 O OG . SER A 188 ? 0.8573 0.8649 0.7290 0.0273 0.0560 -0.0675 215 SER A OG 1271 N N . THR A 189 ? 0.8451 0.8460 0.7102 0.0631 0.0578 -0.0665 216 THR A N 1272 C CA . THR A 189 ? 0.8437 0.8214 0.6947 0.0678 0.0659 -0.0653 216 THR A CA 1273 C C . THR A 189 ? 0.8420 0.7826 0.6691 0.0584 0.0653 -0.0593 216 THR A C 1274 O O . THR A 189 ? 0.8407 0.7656 0.6574 0.0584 0.0565 -0.0538 216 THR A O 1275 C CB . THR A 189 ? 0.8563 0.8266 0.6997 0.0879 0.0620 -0.0624 216 THR A CB 1276 O OG1 . THR A 189 ? 0.8574 0.8656 0.7241 0.1005 0.0608 -0.0685 216 THR A OG1 1277 C CG2 . THR A 189 ? 0.8791 0.8219 0.7050 0.0913 0.0713 -0.0617 216 THR A CG2 1278 N N . THR A 190 ? 0.8362 0.7630 0.6539 0.0509 0.0750 -0.0612 217 THR A N 1279 C CA . THR A 190 ? 0.8360 0.7313 0.6311 0.0441 0.0728 -0.0568 217 THR A CA 1280 C C . THR A 190 ? 0.8443 0.7140 0.6198 0.0520 0.0719 -0.0548 217 THR A C 1281 O O . THR A 190 ? 0.8881 0.7575 0.6622 0.0594 0.0797 -0.0576 217 THR A O 1282 C CB . THR A 190 ? 0.8423 0.7299 0.6299 0.0334 0.0830 -0.0592 217 THR A CB 1283 O OG1 . THR A 190 ? 0.8309 0.7389 0.6346 0.0241 0.0850 -0.0616 217 THR A OG1 1284 C CG2 . THR A 190 ? 0.8541 0.7102 0.6162 0.0304 0.0782 -0.0548 217 THR A CG2 1285 N N . ILE A 191 ? 0.8375 0.6868 0.5990 0.0498 0.0632 -0.0513 218 ILE A N 1286 C CA . ILE A 191 ? 0.8528 0.6765 0.5946 0.0543 0.0620 -0.0511 218 ILE A CA 1287 C C . ILE A 191 ? 0.8647 0.6701 0.5903 0.0461 0.0571 -0.0513 218 ILE A C 1288 O O . ILE A 191 ? 0.8490 0.6572 0.5793 0.0402 0.0489 -0.0501 218 ILE A O 1289 C CB . ILE A 191 ? 0.8508 0.6696 0.5925 0.0594 0.0562 -0.0488 218 ILE A CB 1290 C CG1 . ILE A 191 ? 0.8483 0.6858 0.6033 0.0717 0.0589 -0.0482 218 ILE A CG1 1291 C CG2 . ILE A 191 ? 0.8676 0.6564 0.5868 0.0609 0.0569 -0.0501 218 ILE A CG2 1292 C CD1 . ILE A 191 ? 0.8610 0.6869 0.6083 0.0799 0.0548 -0.0449 218 ILE A CD1 1293 N N . ARG A 192 ? 0.8966 0.6839 0.6026 0.0469 0.0620 -0.0535 219 ARG A N 1294 C CA . ARG A 192 ? 0.9096 0.6805 0.5967 0.0419 0.0566 -0.0542 219 ARG A CA 1295 C C . ARG A 192 ? 0.9160 0.6695 0.5882 0.0409 0.0482 -0.0573 219 ARG A C 1296 O O . ARG A 192 ? 0.9318 0.6738 0.5962 0.0442 0.0525 -0.0592 219 ARG A O 1297 C CB . ARG A 192 ? 0.9430 0.7009 0.6123 0.0428 0.0671 -0.0553 219 ARG A CB 1298 C CG . ARG A 192 ? 0.9500 0.7246 0.6342 0.0402 0.0776 -0.0547 219 ARG A CG 1299 C CD . ARG A 192 ? 0.9963 0.7515 0.6574 0.0378 0.0891 -0.0557 219 ARG A CD 1300 N NE . ARG A 192 ? 1.0012 0.7660 0.6710 0.0313 0.0956 -0.0549 219 ARG A NE 1301 C CZ . ARG A 192 ? 0.9966 0.7859 0.6911 0.0269 0.1064 -0.0582 219 ARG A CZ 1302 N NH1 . ARG A 192 ? 1.0006 0.7941 0.6989 0.0187 0.1128 -0.0585 219 ARG A NH1 1303 N NH2 . ARG A 192 ? 0.9786 0.7887 0.6936 0.0311 0.1110 -0.0620 219 ARG A NH2 1304 N N . TYR A 193 ? 0.9143 0.6670 0.5833 0.0363 0.0369 -0.0587 220 TYR A N 1305 C CA . TYR A 193 ? 0.9342 0.6764 0.5930 0.0326 0.0278 -0.0646 220 TYR A CA 1306 C C . TYR A 193 ? 0.9516 0.6874 0.5934 0.0326 0.0176 -0.0675 220 TYR A C 1307 O O . TYR A 193 ? 0.9408 0.6835 0.5852 0.0347 0.0145 -0.0639 220 TYR A O 1308 C CB . TYR A 193 ? 0.9305 0.6864 0.6101 0.0267 0.0215 -0.0661 220 TYR A CB 1309 C CG . TYR A 193 ? 0.9221 0.6812 0.6140 0.0281 0.0291 -0.0629 220 TYR A CG 1310 C CD1 . TYR A 193 ? 0.9021 0.6784 0.6115 0.0308 0.0322 -0.0571 220 TYR A CD1 1311 C CD2 . TYR A 193 ? 0.9423 0.6853 0.6255 0.0268 0.0329 -0.0663 220 TYR A CD2 1312 C CE1 . TYR A 193 ? 0.8979 0.6771 0.6153 0.0345 0.0368 -0.0543 220 TYR A CE1 1313 C CE2 . TYR A 193 ? 0.9461 0.6873 0.6346 0.0310 0.0395 -0.0625 220 TYR A CE2 1314 C CZ . TYR A 193 ? 0.9209 0.6812 0.6264 0.0358 0.0402 -0.0564 220 TYR A CZ 1315 O OH . TYR A 193 ? 0.9118 0.6695 0.6188 0.0424 0.0446 -0.0528 220 TYR A OH 1316 N N . GLN A 194 ? 0.9969 0.7180 0.6190 0.0310 0.0122 -0.0743 221 GLN A N 1317 C CA . GLN A 194 ? 1.0329 0.7512 0.6390 0.0322 -0.0019 -0.0791 221 GLN A CA 1318 C C . GLN A 194 ? 1.0137 0.7493 0.6387 0.0246 -0.0141 -0.0877 221 GLN A C 1319 O O . GLN A 194 ? 1.0089 0.7433 0.6424 0.0169 -0.0092 -0.0921 221 GLN A O 1320 C CB . GLN A 194 ? 1.0970 0.7895 0.6680 0.0343 -0.0013 -0.0835 221 GLN A CB 1321 C CG . GLN A 194 ? 1.1470 0.8212 0.6892 0.0427 0.0019 -0.0783 221 GLN A CG 1322 C CD . GLN A 194 ? 1.2232 0.8688 0.7262 0.0444 0.0018 -0.0834 221 GLN A CD 1323 O OE1 . GLN A 194 ? 1.2323 0.8760 0.7287 0.0394 -0.0073 -0.0927 221 GLN A OE1 1324 N NE2 . GLN A 194 ? 1.2693 0.8910 0.7445 0.0501 0.0133 -0.0784 221 GLN A NE2 1325 N N . ALA A 195 ? 1.0073 0.7578 0.6377 0.0270 -0.0286 -0.0907 222 ALA A N 1326 C CA . ALA A 195 ? 1.0009 0.7733 0.6535 0.0191 -0.0399 -0.1012 222 ALA A CA 1327 C C . ALA A 195 ? 1.0252 0.8056 0.6666 0.0237 -0.0588 -0.1102 222 ALA A C 1328 O O . ALA A 195 ? 1.0418 0.8147 0.6633 0.0363 -0.0649 -0.1047 222 ALA A O 1329 C CB . ALA A 195 ? 0.9730 0.7667 0.6568 0.0179 -0.0386 -0.0969 222 ALA A CB 1330 N N . THR A 196 ? 1.0300 0.8244 0.6823 0.0136 -0.0676 -0.1249 223 THR A N 1331 C CA . THR A 196 ? 1.0513 0.8658 0.7038 0.0174 -0.0889 -0.1368 223 THR A CA 1332 C C . THR A 196 ? 1.0393 0.8882 0.7324 0.0057 -0.0940 -0.1495 223 THR A C 1333 O O . THR A 196 ? 1.0193 0.8662 0.7280 -0.0093 -0.0807 -0.1531 223 THR A O 1334 C CB . THR A 196 ? 1.0861 0.8855 0.7080 0.0146 -0.0962 -0.1474 223 THR A CB 1335 O OG1 . THR A 196 ? 1.0985 0.8921 0.7271 -0.0035 -0.0857 -0.1572 223 THR A OG1 1336 C CG2 . THR A 196 ? 1.1032 0.8661 0.6830 0.0256 -0.0890 -0.1356 223 THR A CG2 1337 N N . GLY A 197 ? 1.0528 0.9314 0.7613 0.0137 -0.1122 -0.1564 224 GLY A N 1338 C CA . GLY A 197 ? 1.0484 0.9648 0.7994 0.0035 -0.1170 -0.1701 224 GLY A CA 1339 C C . GLY A 197 ? 1.0316 0.9505 0.8084 -0.0013 -0.1009 -0.1608 224 GLY A C 1340 O O . GLY A 197 ? 1.0182 0.9477 0.8203 -0.0181 -0.0917 -0.1698 224 GLY A O 1341 N N . PHE A 198 ? 1.0506 0.9572 0.8181 0.0125 -0.0966 -0.1435 225 PHE A N 1342 C CA . PHE A 198 ? 1.0330 0.9383 0.8189 0.0091 -0.0816 -0.1332 225 PHE A CA 1343 C C . PHE A 198 ? 1.0530 0.9924 0.8772 0.0063 -0.0864 -0.1417 225 PHE A C 1344 O O . PHE A 198 ? 1.0547 1.0163 0.8868 0.0185 -0.1023 -0.1466 225 PHE A O 1345 C CB . PHE A 198 ? 1.0128 0.8985 0.7786 0.0235 -0.0765 -0.1153 225 PHE A CB 1346 C CG . PHE A 198 ? 0.9777 0.8624 0.7599 0.0198 -0.0622 -0.1056 225 PHE A CG 1347 C CD1 . PHE A 198 ? 0.9617 0.8633 0.7635 0.0254 -0.0646 -0.1034 225 PHE A CD1 1348 C CD2 . PHE A 198 ? 0.9641 0.8308 0.7409 0.0119 -0.0468 -0.0990 225 PHE A CD2 1349 C CE1 . PHE A 198 ? 0.9314 0.8307 0.7456 0.0210 -0.0516 -0.0952 225 PHE A CE1 1350 C CE2 . PHE A 198 ? 0.9441 0.8112 0.7339 0.0092 -0.0356 -0.0909 225 PHE A CE2 1351 C CZ . PHE A 198 ? 0.9266 0.8093 0.7345 0.0127 -0.0378 -0.0892 225 PHE A CZ 1352 N N . GLY A 199 ? 1.0719 1.0135 0.9176 -0.0083 -0.0720 -0.1434 226 GLY A N 1353 C CA . GLY A 199 ? 1.0824 1.0534 0.9652 -0.0139 -0.0718 -0.1520 226 GLY A CA 1354 C C . GLY A 199 ? 1.1162 1.1199 1.0234 -0.0230 -0.0828 -0.1745 226 GLY A C 1355 O O . GLY A 199 ? 1.1105 1.1479 1.0477 -0.0188 -0.0910 -0.1830 226 GLY A O 1356 N N . THR A 200 ? 1.1685 1.1634 1.0635 -0.0353 -0.0825 -0.1850 227 THR A N 1357 C CA . THR A 200 ? 1.2143 1.2393 1.1325 -0.0496 -0.0901 -0.2096 227 THR A CA 1358 C C . THR A 200 ? 1.2931 1.2960 1.2067 -0.0743 -0.0708 -0.2179 227 THR A C 1359 O O . THR A 200 ? 1.3119 1.2763 1.2017 -0.0762 -0.0545 -0.2035 227 THR A O 1360 C CB . THR A 200 ? 1.2168 1.2528 1.1183 -0.0397 -0.1125 -0.2183 227 THR A CB 1361 O OG1 . THR A 200 ? 1.2242 1.2213 1.0861 -0.0431 -0.1066 -0.2123 227 THR A OG1 1362 C CG2 . THR A 200 ? 1.2007 1.2465 1.0940 -0.0121 -0.1304 -0.2074 227 THR A CG2 1363 N N . ASN A 201 ? 1.3872 1.4145 1.3232 -0.0927 -0.0722 -0.2420 228 ASN A N 1364 C CA . ASN A 201 ? 1.4599 1.4623 1.3867 -0.1179 -0.0530 -0.2529 228 ASN A CA 1365 C C . ASN A 201 ? 1.4536 1.4171 1.3363 -0.1167 -0.0517 -0.2472 228 ASN A C 1366 O O . ASN A 201 ? 1.4818 1.4051 1.3424 -0.1272 -0.0313 -0.2421 228 ASN A O 1367 C CB . ASN A 201 ? 1.5564 1.5954 1.5188 -0.1413 -0.0529 -0.2834 228 ASN A CB 1368 C CG . ASN A 201 ? 1.6678 1.7609 1.6551 -0.1315 -0.0817 -0.2996 228 ASN A CG 1369 O OD1 . ASN A 201 ? 1.6694 1.7741 1.6523 -0.1054 -0.1001 -0.2864 228 ASN A OD1 1370 N ND2 . ASN A 201 ? 1.8161 1.9422 1.8287 -0.1520 -0.0855 -0.3290 228 ASN A ND2 1371 N N . GLU A 202 ? 1.4155 1.3881 1.2828 -0.1025 -0.0725 -0.2474 229 GLU A N 1372 C CA . GLU A 202 ? 1.4038 1.3394 1.2280 -0.1000 -0.0714 -0.2419 229 GLU A CA 1373 C C . GLU A 202 ? 1.3438 1.2559 1.1399 -0.0757 -0.0743 -0.2167 229 GLU A C 1374 O O . GLU A 202 ? 1.3504 1.2619 1.1253 -0.0619 -0.0898 -0.2143 229 GLU A O 1375 C CB . GLU A 202 ? 1.4455 1.4010 1.2647 -0.1049 -0.0902 -0.2626 229 GLU A CB 1376 C CG . GLU A 202 ? 1.4723 1.4455 1.3132 -0.1337 -0.0842 -0.2909 229 GLU A CG 1377 C CD . GLU A 202 ? 1.4718 1.5073 1.3555 -0.1359 -0.1054 -0.3132 229 GLU A CD 1378 O OE1 . GLU A 202 ? 1.4850 1.5413 1.3741 -0.1512 -0.1145 -0.3381 229 GLU A OE1 1379 O OE2 . GLU A 202 ? 1.4505 1.5155 1.3627 -0.1221 -0.1130 -0.3069 229 GLU A OE2 1380 N N . THR A 203 ? 1.2829 1.1750 1.0778 -0.0714 -0.0586 -0.1990 230 THR A N 1381 C CA . THR A 203 ? 1.2459 1.1145 1.0160 -0.0526 -0.0566 -0.1771 230 THR A CA 1382 C C . THR A 203 ? 1.2484 1.0766 0.9844 -0.0553 -0.0435 -0.1722 230 THR A C 1383 O O . THR A 203 ? 1.2598 1.0695 0.9928 -0.0695 -0.0282 -0.1774 230 THR A O 1384 C CB . THR A 203 ? 1.2045 1.0729 0.9894 -0.0469 -0.0464 -0.1618 230 THR A CB 1385 O OG1 . THR A 203 ? 1.1747 1.0784 0.9925 -0.0461 -0.0553 -0.1675 230 THR A OG1 1386 C CG2 . THR A 203 ? 1.1930 1.0450 0.9571 -0.0289 -0.0460 -0.1425 230 THR A CG2 1387 N N . GLU A 204 ? 1.2466 1.0586 0.9550 -0.0411 -0.0478 -0.1622 231 GLU A N 1388 C CA . GLU A 204 ? 1.2521 1.0270 0.9285 -0.0404 -0.0351 -0.1566 231 GLU A CA 1389 C C . GLU A 204 ? 1.1909 0.9528 0.8579 -0.0246 -0.0278 -0.1369 231 GLU A C 1390 O O . GLU A 204 ? 1.1844 0.9583 0.8531 -0.0128 -0.0368 -0.1297 231 GLU A O 1391 C CB . GLU A 204 ? 1.3187 1.0850 0.9684 -0.0405 -0.0454 -0.1664 231 GLU A CB 1392 C CG . GLU A 204 ? 1.3918 1.1237 1.0153 -0.0503 -0.0312 -0.1716 231 GLU A CG 1393 C CD . GLU A 204 ? 1.4325 1.1660 1.0695 -0.0717 -0.0238 -0.1878 231 GLU A CD 1394 O OE1 . GLU A 204 ? 1.4666 1.2174 1.1085 -0.0839 -0.0353 -0.2069 231 GLU A OE1 1395 O OE2 . GLU A 204 ? 1.4558 1.1728 1.0974 -0.0763 -0.0062 -0.1823 231 GLU A OE2 1396 N N . TYR A 205 ? 1.1478 0.8852 0.8044 -0.0241 -0.0109 -0.1292 232 TYR A N 1397 C CA . TYR A 205 ? 1.1075 0.8376 0.7605 -0.0109 -0.0026 -0.1131 232 TYR A CA 1398 C C . TYR A 205 ? 1.0993 0.8003 0.7245 -0.0053 0.0084 -0.1094 232 TYR A C 1399 O O . TYR A 205 ? 1.1276 0.8075 0.7393 -0.0119 0.0167 -0.1156 232 TYR A O 1400 C CB . TYR A 205 ? 1.0995 0.8342 0.7722 -0.0122 0.0066 -0.1065 232 TYR A CB 1401 C CG . TYR A 205 ? 1.0836 0.8464 0.7840 -0.0143 -0.0015 -0.1064 232 TYR A CG 1402 C CD1 . TYR A 205 ? 1.0765 0.8493 0.7953 -0.0270 -0.0012 -0.1156 232 TYR A CD1 1403 C CD2 . TYR A 205 ? 1.0758 0.8530 0.7828 -0.0043 -0.0074 -0.0978 232 TYR A CD2 1404 C CE1 . TYR A 205 ? 1.0643 0.8629 0.8092 -0.0283 -0.0074 -0.1159 232 TYR A CE1 1405 C CE2 . TYR A 205 ? 1.0674 0.8675 0.7976 -0.0051 -0.0136 -0.0975 232 TYR A CE2 1406 C CZ . TYR A 205 ? 1.0630 0.8750 0.8131 -0.0164 -0.0141 -0.1064 232 TYR A CZ 1407 O OH . TYR A 205 ? 1.0611 0.8958 0.8348 -0.0164 -0.0192 -0.1063 232 TYR A OH 1408 N N . LEU A 206 ? 1.0724 0.7706 0.6886 0.0064 0.0105 -0.1001 233 LEU A N 1409 C CA . LEU A 206 ? 1.0850 0.7592 0.6794 0.0133 0.0233 -0.0960 233 LEU A CA 1410 C C . LEU A 206 ? 1.0577 0.7404 0.6648 0.0235 0.0323 -0.0844 233 LEU A C 1411 O O . LEU A 206 ? 1.0364 0.7345 0.6527 0.0270 0.0281 -0.0795 233 LEU A O 1412 C CB . LEU A 206 ? 1.1127 0.7732 0.6793 0.0162 0.0192 -0.0990 233 LEU A CB 1413 C CG . LEU A 206 ? 1.1427 0.7953 0.6915 0.0074 0.0082 -0.1122 233 LEU A CG 1414 C CD1 . LEU A 206 ? 1.1768 0.8128 0.6934 0.0138 0.0050 -0.1124 233 LEU A CD1 1415 C CD2 . LEU A 206 ? 1.1666 0.7987 0.7055 -0.0019 0.0175 -0.1204 233 LEU A CD2 1416 N N . PHE A 207 ? 1.0660 0.7383 0.6725 0.0286 0.0448 -0.0809 234 PHE A N 1417 C CA . PHE A 207 ? 1.0566 0.7397 0.6750 0.0394 0.0533 -0.0725 234 PHE A CA 1418 C C . PHE A 207 ? 1.0817 0.7550 0.6838 0.0453 0.0609 -0.0719 234 PHE A C 1419 O O . PHE A 207 ? 1.1068 0.7559 0.6854 0.0460 0.0667 -0.0759 234 PHE A O 1420 C CB . PHE A 207 ? 1.0564 0.7318 0.6774 0.0462 0.0626 -0.0697 234 PHE A CB 1421 C CG . PHE A 207 ? 1.0426 0.7309 0.6749 0.0594 0.0710 -0.0637 234 PHE A CG 1422 C CD1 . PHE A 207 ? 1.0139 0.7313 0.6693 0.0603 0.0679 -0.0598 234 PHE A CD1 1423 C CD2 . PHE A 207 ? 1.0633 0.7362 0.6843 0.0707 0.0825 -0.0633 234 PHE A CD2 1424 C CE1 . PHE A 207 ? 1.0084 0.7431 0.6780 0.0706 0.0754 -0.0571 234 PHE A CE1 1425 C CE2 . PHE A 207 ? 1.0580 0.7496 0.6944 0.0836 0.0894 -0.0598 234 PHE A CE2 1426 C CZ . PHE A 207 ? 1.0211 0.7457 0.6833 0.0827 0.0855 -0.0575 234 PHE A CZ 1427 N N . GLU A 208 ? 1.0816 0.7714 0.6948 0.0483 0.0630 -0.0675 235 GLU A N 1428 C CA . GLU A 208 ? 1.1165 0.7961 0.7137 0.0517 0.0724 -0.0675 235 GLU A CA 1429 C C . GLU A 208 ? 1.1142 0.8002 0.7219 0.0604 0.0880 -0.0660 235 GLU A C 1430 O O . GLU A 208 ? 1.0915 0.8034 0.7263 0.0636 0.0897 -0.0632 235 GLU A O 1431 C CB . GLU A 208 ? 1.1294 0.8192 0.7294 0.0486 0.0684 -0.0649 235 GLU A CB 1432 C CG . GLU A 208 ? 1.1764 0.8511 0.7558 0.0502 0.0802 -0.0649 235 GLU A CG 1433 C CD . GLU A 208 ? 1.1990 0.8746 0.7728 0.0475 0.0763 -0.0621 235 GLU A CD 1434 O OE1 . GLU A 208 ? 1.2344 0.8984 0.7894 0.0470 0.0630 -0.0627 235 GLU A OE1 1435 O OE2 . GLU A 208 ? 1.2013 0.8891 0.7890 0.0462 0.0869 -0.0599 235 GLU A OE2 1436 N N . VAL A 209 ? 1.1515 0.8154 0.7381 0.0645 0.0991 -0.0690 236 VAL A N 1437 C CA . VAL A 209 ? 1.1638 0.8343 0.7605 0.0744 0.1152 -0.0693 236 VAL A CA 1438 C C . VAL A 209 ? 1.1754 0.8469 0.7680 0.0721 0.1273 -0.0709 236 VAL A C 1439 O O . VAL A 209 ? 1.1425 0.8397 0.7604 0.0750 0.1367 -0.0715 236 VAL A O 1440 C CB . VAL A 209 ? 1.1951 0.8378 0.7705 0.0810 0.1233 -0.0721 236 VAL A CB 1441 C CG1 . VAL A 209 ? 1.2028 0.8538 0.7896 0.0936 0.1404 -0.0731 236 VAL A CG1 1442 C CG2 . VAL A 209 ? 1.1912 0.8277 0.7673 0.0820 0.1149 -0.0709 236 VAL A CG2 1443 N N . ASP A 210 ? 1.2171 0.8590 0.7756 0.0667 0.1279 -0.0727 237 ASP A N 1444 C CA . ASP A 210 ? 1.2416 0.8755 0.7863 0.0620 0.1369 -0.0731 237 ASP A CA 1445 C C . ASP A 210 ? 1.2888 0.8974 0.7995 0.0569 0.1232 -0.0723 237 ASP A C 1446 O O . ASP A 210 ? 1.2758 0.8833 0.7838 0.0557 0.1066 -0.0727 237 ASP A O 1447 C CB . ASP A 210 ? 1.2608 0.8806 0.7940 0.0653 0.1596 -0.0773 237 ASP A CB 1448 C CG . ASP A 210 ? 1.2935 0.8784 0.7931 0.0685 0.1626 -0.0803 237 ASP A CG 1449 O OD1 . ASP A 210 ? 1.2996 0.8612 0.7703 0.0648 0.1489 -0.0804 237 ASP A OD1 1450 O OD2 . ASP A 210 ? 1.3181 0.8999 0.8207 0.0750 0.1795 -0.0835 237 ASP A OD2 1451 N N . ASN A 211 ? 1.3609 0.9494 0.8451 0.0545 0.1304 -0.0719 238 ASN A N 1452 C CA . ASN A 211 ? 1.4058 0.9709 0.8552 0.0534 0.1156 -0.0709 238 ASN A CA 1453 C C . ASN A 211 ? 1.3902 0.9296 0.8074 0.0545 0.1061 -0.0753 238 ASN A C 1454 O O . ASN A 211 ? 1.3800 0.9118 0.7782 0.0544 0.0876 -0.0762 238 ASN A O 1455 C CB . ASN A 211 ? 1.5015 1.0427 0.9215 0.0526 0.1276 -0.0688 238 ASN A CB 1456 C CG . ASN A 211 ? 1.5687 1.1299 1.0106 0.0497 0.1276 -0.0646 238 ASN A CG 1457 O OD1 . ASN A 211 ? 1.5489 1.1356 1.0169 0.0496 0.1113 -0.0623 238 ASN A OD1 1458 N ND2 . ASN A 211 ? 1.7014 1.2485 1.1311 0.0461 0.1479 -0.0643 238 ASN A ND2 1459 N N . LEU A 212 ? 1.3838 0.9114 0.7953 0.0557 0.1183 -0.0791 239 LEU A N 1460 C CA . LEU A 212 ? 1.4119 0.9138 0.7928 0.0547 0.1115 -0.0848 239 LEU A CA 1461 C C . LEU A 212 ? 1.3802 0.8925 0.7816 0.0539 0.1087 -0.0880 239 LEU A C 1462 O O . LEU A 212 ? 1.4071 0.8990 0.7845 0.0504 0.1027 -0.0941 239 LEU A O 1463 C CB . LEU A 212 ? 1.4658 0.9311 0.8085 0.0565 0.1304 -0.0875 239 LEU A CB 1464 C CG . LEU A 212 ? 1.4955 0.9375 0.8054 0.0570 0.1375 -0.0850 239 LEU A CG 1465 C CD1 . LEU A 212 ? 1.5484 0.9557 0.8261 0.0578 0.1616 -0.0882 239 LEU A CD1 1466 C CD2 . LEU A 212 ? 1.5145 0.9411 0.7906 0.0576 0.1144 -0.0853 239 LEU A CD2 1467 N N . THR A 213 ? 1.3221 0.8629 0.7635 0.0568 0.1132 -0.0843 240 THR A N 1468 C CA . THR A 213 ? 1.3078 0.8517 0.7633 0.0586 0.1142 -0.0860 240 THR A CA 1469 C C . THR A 213 ? 1.2692 0.8417 0.7565 0.0558 0.1000 -0.0834 240 THR A C 1470 O O . THR A 213 ? 1.2272 0.8272 0.7430 0.0580 0.0992 -0.0783 240 THR A O 1471 C CB . THR A 213 ? 1.3043 0.8521 0.7742 0.0687 0.1343 -0.0843 240 THR A CB 1472 O OG1 . THR A 213 ? 1.3299 0.8546 0.7745 0.0706 0.1504 -0.0869 240 THR A OG1 1473 C CG2 . THR A 213 ? 1.3064 0.8432 0.7762 0.0732 0.1374 -0.0860 240 THR A CG2 1474 N N . TYR A 214 ? 1.2746 0.8389 0.7558 0.0496 0.0905 -0.0882 241 TYR A N 1475 C CA . TYR A 214 ? 1.2441 0.8303 0.7503 0.0444 0.0777 -0.0876 241 TYR A CA 1476 C C . TYR A 214 ? 1.2643 0.8377 0.7698 0.0422 0.0816 -0.0909 241 TYR A C 1477 O O . TYR A 214 ? 1.3023 0.8468 0.7830 0.0427 0.0913 -0.0953 241 TYR A O 1478 C CB . TYR A 214 ? 1.2457 0.8376 0.7453 0.0357 0.0594 -0.0923 241 TYR A CB 1479 C CG . TYR A 214 ? 1.2404 0.8420 0.7392 0.0395 0.0555 -0.0874 241 TYR A CG 1480 C CD1 . TYR A 214 ? 1.2757 0.8543 0.7411 0.0421 0.0589 -0.0885 241 TYR A CD1 1481 C CD2 . TYR A 214 ? 1.2131 0.8420 0.7403 0.0405 0.0505 -0.0816 241 TYR A CD2 1482 C CE1 . TYR A 214 ? 1.2779 0.8581 0.7365 0.0458 0.0582 -0.0836 241 TYR A CE1 1483 C CE2 . TYR A 214 ? 1.2191 0.8515 0.7418 0.0436 0.0496 -0.0771 241 TYR A CE2 1484 C CZ . TYR A 214 ? 1.2474 0.8542 0.7350 0.0464 0.0539 -0.0780 241 TYR A CZ 1485 O OH . TYR A 214 ? 1.2524 0.8563 0.7305 0.0495 0.0555 -0.0732 241 TYR A OH 1486 N N . VAL A 215 ? 1.2466 0.8379 0.7761 0.0397 0.0759 -0.0888 242 VAL A N 1487 C CA . VAL A 215 ? 1.2528 0.8280 0.7784 0.0359 0.0803 -0.0921 242 VAL A CA 1488 C C . VAL A 215 ? 1.2447 0.8335 0.7829 0.0216 0.0671 -0.0979 242 VAL A C 1489 O O . VAL A 215 ? 1.2026 0.8199 0.7651 0.0213 0.0577 -0.0939 242 VAL A O 1490 C CB . VAL A 215 ? 1.2391 0.8192 0.7795 0.0490 0.0896 -0.0835 242 VAL A CB 1491 C CG1 . VAL A 215 ? 1.2707 0.8214 0.7953 0.0473 0.0980 -0.0862 242 VAL A CG1 1492 C CG2 . VAL A 215 ? 1.2422 0.8226 0.7814 0.0644 0.1009 -0.0786 242 VAL A CG2 1493 N N . GLN A 216 ? 1.2890 0.8579 0.8116 0.0090 0.0678 -0.1085 243 GLN A N 1494 C CA . GLN A 216 ? 1.2912 0.8745 0.8292 -0.0060 0.0581 -0.1167 243 GLN A CA 1495 C C . GLN A 216 ? 1.2659 0.8566 0.8237 -0.0034 0.0632 -0.1097 243 GLN A C 1496 O O . GLN A 216 ? 1.2737 0.8394 0.8191 0.0017 0.0770 -0.1062 243 GLN A O 1497 C CB . GLN A 216 ? 1.3424 0.9015 0.8600 -0.0224 0.0616 -0.1317 243 GLN A CB 1498 C CG . GLN A 216 ? 1.3720 0.9356 0.8767 -0.0307 0.0488 -0.1434 243 GLN A CG 1499 C CD . GLN A 216 ? 1.4202 0.9669 0.9106 -0.0506 0.0511 -0.1614 243 GLN A CD 1500 O OE1 . GLN A 216 ? 1.4260 0.9823 0.9337 -0.0643 0.0513 -0.1695 243 GLN A OE1 1501 N NE2 . GLN A 216 ? 1.4615 0.9821 0.9196 -0.0537 0.0544 -0.1689 243 GLN A NE2 1502 N N . LEU A 217 ? 1.2452 0.8676 0.8305 -0.0056 0.0522 -0.1074 244 LEU A N 1503 C CA . LEU A 217 ? 1.2280 0.8586 0.8309 -0.0023 0.0560 -0.0999 244 LEU A CA 1504 C C . LEU A 217 ? 1.2572 0.8747 0.8593 -0.0173 0.0615 -0.1086 244 LEU A C 1505 O O . LEU A 217 ? 1.2769 0.8975 0.8802 -0.0332 0.0567 -0.1220 244 LEU A O 1506 C CB . LEU A 217 ? 1.1796 0.8461 0.8100 0.0004 0.0443 -0.0943 244 LEU A CB 1507 C CG . LEU A 217 ? 1.1544 0.8312 0.8013 0.0065 0.0476 -0.0850 244 LEU A CG 1508 C CD1 . LEU A 217 ? 1.1501 0.8199 0.7900 0.0232 0.0558 -0.0751 244 LEU A CD1 1509 C CD2 . LEU A 217 ? 1.1245 0.8338 0.7967 0.0049 0.0364 -0.0826 244 LEU A CD2 1510 N N . GLU A 218 ? 1.2796 0.8821 0.8785 -0.0120 0.0720 -0.1017 245 GLU A N 1511 C CA . GLU A 218 ? 1.2968 0.8824 0.8926 -0.0257 0.0806 -0.1082 245 GLU A CA 1512 C C . GLU A 218 ? 1.2636 0.8587 0.8727 -0.0184 0.0814 -0.0978 245 GLU A C 1513 O O . GLU A 218 ? 1.2439 0.8511 0.8584 -0.0010 0.0779 -0.0858 245 GLU A O 1514 C CB . GLU A 218 ? 1.3609 0.8979 0.9210 -0.0270 0.0980 -0.1115 245 GLU A CB 1515 C CG . GLU A 218 ? 1.3999 0.9251 0.9455 -0.0403 0.0985 -0.1255 245 GLU A CG 1516 C CD . GLU A 218 ? 1.4791 0.9525 0.9853 -0.0385 0.1173 -0.1272 245 GLU A CD 1517 O OE1 . GLU A 218 ? 1.5157 0.9566 1.0042 -0.0354 0.1322 -0.1228 245 GLU A OE1 1518 O OE2 . GLU A 218 ? 1.5229 0.9846 1.0123 -0.0397 0.1178 -0.1328 245 GLU A OE2 1519 N N . SER A 219 ? 1.2551 0.8456 0.8698 -0.0328 0.0865 -0.1040 246 SER A N 1520 C CA . SER A 219 ? 1.2222 0.8190 0.8469 -0.0287 0.0876 -0.0958 246 SER A CA 1521 C C . SER A 219 ? 1.2353 0.8024 0.8344 -0.0102 0.0971 -0.0833 246 SER A C 1522 O O . SER A 219 ? 1.2242 0.8063 0.8324 0.0020 0.0921 -0.0731 246 SER A O 1523 C CB . SER A 219 ? 1.2370 0.8283 0.8684 -0.0496 0.0951 -0.1068 246 SER A CB 1524 O OG . SER A 219 ? 1.2234 0.8510 0.8846 -0.0636 0.0836 -0.1184 246 SER A OG 1525 N N . ARG A 220 ? 1.2672 0.7921 0.8332 -0.0072 0.1104 -0.0848 247 ARG A N 1526 C CA . ARG A 220 ? 1.3019 0.7945 0.8390 0.0137 0.1195 -0.0732 247 ARG A CA 1527 C C . ARG A 220 ? 1.2660 0.7798 0.8099 0.0386 0.1106 -0.0623 247 ARG A C 1528 O O . ARG A 220 ? 1.2949 0.7932 0.8220 0.0592 0.1141 -0.0526 247 ARG A O 1529 C CB . ARG A 220 ? 1.3839 0.8194 0.8795 0.0105 0.1386 -0.0780 247 ARG A CB 1530 C CG . ARG A 220 ? 1.4287 0.8542 0.9130 0.0117 0.1409 -0.0830 247 ARG A CG 1531 C CD . ARG A 220 ? 1.5119 0.8802 0.9566 0.0002 0.1616 -0.0918 247 ARG A CD 1532 N NE . ARG A 220 ? 1.5413 0.9030 0.9779 -0.0063 0.1631 -0.1008 247 ARG A NE 1533 C CZ . ARG A 220 ? 1.5809 0.9248 0.9976 0.0125 0.1673 -0.0949 247 ARG A CZ 1534 N NH1 . ARG A 220 ? 1.6138 0.9503 1.0218 0.0030 0.1692 -0.1047 247 ARG A NH1 1535 N NH2 . ARG A 220 ? 1.5929 0.9277 0.9987 0.0412 0.1693 -0.0803 247 ARG A NH2 1536 N N . PHE A 221 ? 1.2002 0.7486 0.7676 0.0373 0.0997 -0.0646 248 PHE A N 1537 C CA . PHE A 221 ? 1.1603 0.7312 0.7373 0.0576 0.0938 -0.0566 248 PHE A CA 1538 C C . PHE A 221 ? 1.1146 0.7210 0.7165 0.0650 0.0835 -0.0494 248 PHE A C 1539 O O . PHE A 221 ? 1.0785 0.7137 0.7049 0.0525 0.0747 -0.0517 248 PHE A O 1540 C CB . PHE A 221 ? 1.1437 0.7342 0.7325 0.0527 0.0882 -0.0616 248 PHE A CB 1541 C CG . PHE A 221 ? 1.1763 0.7348 0.7402 0.0456 0.0968 -0.0697 248 PHE A CG 1542 C CD1 . PHE A 221 ? 1.2169 0.7294 0.7487 0.0452 0.1111 -0.0719 248 PHE A CD1 1543 C CD2 . PHE A 221 ? 1.1645 0.7358 0.7332 0.0394 0.0914 -0.0752 248 PHE A CD2 1544 C CE1 . PHE A 221 ? 1.2376 0.7206 0.7461 0.0365 0.1197 -0.0807 248 PHE A CE1 1545 C CE2 . PHE A 221 ? 1.1845 0.7273 0.7291 0.0320 0.0982 -0.0836 248 PHE A CE2 1546 C CZ . PHE A 221 ? 1.2282 0.7280 0.7439 0.0298 0.1125 -0.0868 248 PHE A CZ 1547 N N . THR A 222 ? 1.1066 0.7112 0.7014 0.0861 0.0845 -0.0412 249 THR A N 1548 C CA . THR A 222 ? 1.0736 0.7122 0.6896 0.0946 0.0747 -0.0355 249 THR A CA 1549 C C . THR A 222 ? 1.0446 0.7232 0.6872 0.1002 0.0682 -0.0358 249 THR A C 1550 O O . THR A 222 ? 1.0533 0.7268 0.6915 0.1035 0.0728 -0.0384 249 THR A O 1551 C CB . THR A 222 ? 1.1026 0.7241 0.6981 0.1169 0.0769 -0.0279 249 THR A CB 1552 O OG1 . THR A 222 ? 1.1267 0.7376 0.7096 0.1367 0.0821 -0.0262 249 THR A OG1 1553 C CG2 . THR A 222 ? 1.1378 0.7123 0.7008 0.1110 0.0865 -0.0272 249 THR A CG2 1554 N N . PRO A 223 ? 1.0171 0.7330 0.6852 0.1003 0.0593 -0.0339 250 PRO A N 1555 C CA . PRO A 223 ? 0.9978 0.7499 0.6898 0.1046 0.0561 -0.0354 250 PRO A CA 1556 C C . PRO A 223 ? 1.0290 0.7843 0.7182 0.1257 0.0606 -0.0345 250 PRO A C 1557 O O . PRO A 223 ? 1.0367 0.8028 0.7344 0.1257 0.0648 -0.0380 250 PRO A O 1558 C CB . PRO A 223 ? 0.9702 0.7550 0.6841 0.1023 0.0477 -0.0338 250 PRO A CB 1559 C CG . PRO A 223 ? 0.9686 0.7355 0.6737 0.0896 0.0461 -0.0327 250 PRO A CG 1560 C CD . PRO A 223 ? 1.0029 0.7271 0.6774 0.0942 0.0536 -0.0315 250 PRO A CD 1561 N N . GLN A 224 ? 1.0717 0.8154 0.7466 0.1444 0.0605 -0.0301 251 GLN A N 1562 C CA . GLN A 224 ? 1.0991 0.8498 0.7734 0.1689 0.0633 -0.0294 251 GLN A CA 1563 C C . GLN A 224 ? 1.1216 0.8361 0.7725 0.1724 0.0755 -0.0306 251 GLN A C 1564 O O . GLN A 224 ? 1.1344 0.8599 0.7921 0.1858 0.0805 -0.0327 251 GLN A O 1565 C CB . GLN A 224 ? 1.1448 0.8889 0.8046 0.1915 0.0585 -0.0236 251 GLN A CB 1566 C CG . GLN A 224 ? 1.1572 0.9357 0.8360 0.1905 0.0457 -0.0229 251 GLN A CG 1567 C CD . GLN A 224 ? 1.1733 0.9306 0.8396 0.1717 0.0439 -0.0203 251 GLN A CD 1568 O OE1 . GLN A 224 ? 1.2031 0.9195 0.8461 0.1603 0.0521 -0.0195 251 GLN A OE1 1569 N NE2 . GLN A 224 ? 1.1665 0.9531 0.8497 0.1671 0.0341 -0.0205 251 GLN A NE2 1570 N N . PHE A 225 ? 1.1275 0.7995 0.7514 0.1596 0.0811 -0.0305 252 PHE A N 1571 C CA . PHE A 225 ? 1.1569 0.7927 0.7569 0.1578 0.0929 -0.0335 252 PHE A CA 1572 C C . PHE A 225 ? 1.1347 0.7887 0.7508 0.1442 0.0936 -0.0396 252 PHE A C 1573 O O . PHE A 225 ? 1.1639 0.8060 0.7705 0.1513 0.1025 -0.0419 252 PHE A O 1574 C CB . PHE A 225 ? 1.1860 0.7753 0.7556 0.1432 0.0992 -0.0348 252 PHE A CB 1575 C CG . PHE A 225 ? 1.2226 0.7749 0.7670 0.1375 0.1112 -0.0401 252 PHE A CG 1576 C CD1 . PHE A 225 ? 1.2679 0.7899 0.7870 0.1580 0.1226 -0.0376 252 PHE A CD1 1577 C CD2 . PHE A 225 ? 1.2179 0.7664 0.7633 0.1129 0.1107 -0.0480 252 PHE A CD2 1578 C CE1 . PHE A 225 ? 1.3047 0.7901 0.7982 0.1518 0.1349 -0.0430 252 PHE A CE1 1579 C CE2 . PHE A 225 ? 1.2535 0.7688 0.7743 0.1066 0.1208 -0.0542 252 PHE A CE2 1580 C CZ . PHE A 225 ? 1.2981 0.7804 0.7923 0.1250 0.1338 -0.0517 252 PHE A CZ 1581 N N . LEU A 226 ? 1.0937 0.7726 0.7304 0.1259 0.0853 -0.0419 253 LEU A N 1582 C CA . LEU A 226 ? 1.0709 0.7632 0.7176 0.1142 0.0855 -0.0467 253 LEU A CA 1583 C C . LEU A 226 ? 1.0665 0.7877 0.7322 0.1265 0.0892 -0.0473 253 LEU A C 1584 O O . LEU A 226 ? 1.0771 0.7902 0.7357 0.1266 0.0973 -0.0509 253 LEU A O 1585 C CB . LEU A 226 ? 1.0303 0.7412 0.6927 0.0954 0.0758 -0.0482 253 LEU A CB 1586 C CG . LEU A 226 ? 1.0325 0.7210 0.6819 0.0798 0.0726 -0.0508 253 LEU A CG 1587 C CD1 . LEU A 226 ? 0.9986 0.7113 0.6683 0.0666 0.0627 -0.0512 253 LEU A CD1 1588 C CD2 . LEU A 226 ? 1.0539 0.7166 0.6825 0.0709 0.0767 -0.0573 253 LEU A CD2 1589 N N . LEU A 227 ? 1.0583 0.8133 0.7476 0.1363 0.0841 -0.0452 254 LEU A N 1590 C CA . LEU A 227 ? 1.0677 0.8563 0.7802 0.1473 0.0883 -0.0484 254 LEU A CA 1591 C C . LEU A 227 ? 1.1254 0.9005 0.8268 0.1683 0.0982 -0.0488 254 LEU A C 1592 O O . LEU A 227 ? 1.1251 0.9152 0.8383 0.1723 0.1071 -0.0537 254 LEU A O 1593 C CB . LEU A 227 ? 1.0446 0.8750 0.7853 0.1530 0.0794 -0.0481 254 LEU A CB 1594 C CG . LEU A 227 ? 1.0226 0.8726 0.7788 0.1340 0.0715 -0.0485 254 LEU A CG 1595 C CD1 . LEU A 227 ? 1.0073 0.9017 0.7922 0.1408 0.0651 -0.0508 254 LEU A CD1 1596 C CD2 . LEU A 227 ? 1.0165 0.8667 0.7756 0.1165 0.0773 -0.0524 254 LEU A CD2 1597 N N . GLN A 228 ? 1.1889 0.9337 0.8663 0.1817 0.0983 -0.0440 255 GLN A N 1598 C CA . GLN A 228 ? 1.2518 0.9735 0.9111 0.2033 0.1090 -0.0435 255 GLN A CA 1599 C C . GLN A 228 ? 1.2660 0.9511 0.9011 0.1932 0.1213 -0.0469 255 GLN A C 1600 O O . GLN A 228 ? 1.2961 0.9793 0.9302 0.2051 0.1324 -0.0498 255 GLN A O 1601 C CB . GLN A 228 ? 1.3163 1.0061 0.9483 0.2201 0.1074 -0.0367 255 GLN A CB 1602 C CG . GLN A 228 ? 1.3445 1.0685 0.9948 0.2423 0.0971 -0.0336 255 GLN A CG 1603 C CD . GLN A 228 ? 1.4116 1.0980 1.0280 0.2586 0.0950 -0.0258 255 GLN A CD 1604 O OE1 . GLN A 228 ? 1.4617 1.0956 1.0420 0.2495 0.1026 -0.0231 255 GLN A OE1 1605 N NE2 . GLN A 228 ? 1.4303 1.1426 1.0563 0.2825 0.0850 -0.0229 255 GLN A NE2 1606 N N . LEU A 229 ? 1.2590 0.9166 0.8751 0.1717 0.1193 -0.0475 256 LEU A N 1607 C CA . LEU A 229 ? 1.2809 0.9066 0.8735 0.1594 0.1281 -0.0523 256 LEU A CA 1608 C C . LEU A 229 ? 1.2768 0.9264 0.8859 0.1529 0.1314 -0.0570 256 LEU A C 1609 O O . LEU A 229 ? 1.3110 0.9431 0.9060 0.1568 0.1435 -0.0604 256 LEU A O 1610 C CB . LEU A 229 ? 1.2815 0.8843 0.8577 0.1368 0.1220 -0.0542 256 LEU A CB 1611 C CG . LEU A 229 ? 1.3069 0.8748 0.8549 0.1226 0.1282 -0.0608 256 LEU A CG 1612 C CD1 . LEU A 229 ? 1.3572 0.8822 0.8735 0.1348 0.1431 -0.0613 256 LEU A CD1 1613 C CD2 . LEU A 229 ? 1.3047 0.8632 0.8465 0.1008 0.1193 -0.0646 256 LEU A CD2 1614 N N . ASN A 230 ? 1.2574 0.9430 0.8932 0.1428 0.1225 -0.0572 257 ASN A N 1615 C CA . ASN A 230 ? 1.2658 0.9729 0.9162 0.1364 0.1275 -0.0614 257 ASN A CA 1616 C C . ASN A 230 ? 1.2869 1.0115 0.9520 0.1539 0.1402 -0.0644 257 ASN A C 1617 O O . ASN A 230 ? 1.3145 1.0276 0.9700 0.1525 0.1529 -0.0688 257 ASN A O 1618 C CB . ASN A 230 ? 1.2324 0.9749 0.9095 0.1256 0.1175 -0.0607 257 ASN A CB 1619 C CG . ASN A 230 ? 1.2361 0.9975 0.9260 0.1184 0.1255 -0.0653 257 ASN A CG 1620 O OD1 . ASN A 230 ? 1.2265 0.9690 0.8982 0.1058 0.1273 -0.0668 257 ASN A OD1 1621 N ND2 . ASN A 230 ? 1.2603 1.0587 0.9802 0.1266 0.1307 -0.0685 257 ASN A ND2 1622 N N . GLU A 231 ? 1.2944 1.0473 0.9822 0.1709 0.1364 -0.0627 258 GLU A N 1623 C CA . GLU A 231 ? 1.3184 1.0957 1.0259 0.1914 0.1462 -0.0666 258 GLU A CA 1624 C C . GLU A 231 ? 1.3426 1.0815 1.0223 0.2037 0.1608 -0.0673 258 GLU A C 1625 O O . GLU A 231 ? 1.3432 1.0923 1.0326 0.2099 0.1747 -0.0733 258 GLU A O 1626 C CB . GLU A 231 ? 1.3516 1.1586 1.0794 0.2111 0.1354 -0.0637 258 GLU A CB 1627 C CG . GLU A 231 ? 1.4031 1.2443 1.1565 0.2365 0.1414 -0.0686 258 GLU A CG 1628 C CD . GLU A 231 ? 1.4299 1.3153 1.2196 0.2279 0.1505 -0.0792 258 GLU A CD 1629 O OE1 . GLU A 231 ? 1.4774 1.3768 1.2804 0.2430 0.1634 -0.0856 258 GLU A OE1 1630 O OE2 . GLU A 231 ? 1.4274 1.3316 1.2314 0.2059 0.1467 -0.0817 258 GLU A OE2 1631 N N . THR A 232 ? 1.3494 1.0430 0.9941 0.2057 0.1592 -0.0622 259 THR A N 1632 C CA . THR A 232 ? 1.3813 1.0303 0.9931 0.2153 0.1737 -0.0629 259 THR A CA 1633 C C . THR A 232 ? 1.3837 1.0099 0.9771 0.1973 0.1840 -0.0684 259 THR A C 1634 O O . THR A 232 ? 1.3995 1.0106 0.9825 0.2065 0.1998 -0.0721 259 THR A O 1635 C CB . THR A 232 ? 1.4079 1.0100 0.9837 0.2178 0.1711 -0.0574 259 THR A CB 1636 O OG1 . THR A 232 ? 1.4187 1.0337 1.0033 0.2411 0.1653 -0.0518 259 THR A OG1 1637 C CG2 . THR A 232 ? 1.4517 1.0005 0.9878 0.2223 0.1875 -0.0593 259 THR A CG2 1638 N N . ILE A 233 ? 1.3562 0.9790 0.9437 0.1734 0.1748 -0.0691 260 ILE A N 1639 C CA . ILE A 233 ? 1.3630 0.9618 0.9274 0.1569 0.1815 -0.0739 260 ILE A CA 1640 C C . ILE A 233 ? 1.3510 0.9722 0.9328 0.1591 0.1945 -0.0787 260 ILE A C 1641 O O . ILE A 233 ? 1.3835 0.9788 0.9436 0.1599 0.2096 -0.0829 260 ILE A O 1642 C CB . ILE A 233 ? 1.3454 0.9405 0.9018 0.1344 0.1663 -0.0736 260 ILE A CB 1643 C CG1 . ILE A 233 ? 1.3648 0.9283 0.8972 0.1288 0.1592 -0.0726 260 ILE A CG1 1644 C CG2 . ILE A 233 ? 1.3547 0.9329 0.8899 0.1204 0.1706 -0.0783 260 ILE A CG2 1645 C CD1 . ILE A 233 ? 1.3480 0.9205 0.8850 0.1110 0.1422 -0.0724 260 ILE A CD1 1646 N N . TYR A 234 ? 1.3039 0.9716 0.9234 0.1588 0.1903 -0.0792 261 TYR A N 1647 C CA . TYR A 234 ? 1.3023 0.9953 0.9430 0.1592 0.2052 -0.0856 261 TYR A CA 1648 C C . TYR A 234 ? 1.3437 1.0429 0.9946 0.1809 0.2217 -0.0898 261 TYR A C 1649 O O . TYR A 234 ? 1.3701 1.0608 1.0152 0.1793 0.2402 -0.0960 261 TYR A O 1650 C CB . TYR A 234 ? 1.2497 0.9930 0.9306 0.1536 0.1980 -0.0870 261 TYR A CB 1651 C CG . TYR A 234 ? 1.2183 0.9562 0.8900 0.1313 0.1923 -0.0862 261 TYR A CG 1652 C CD1 . TYR A 234 ? 1.1976 0.9272 0.8599 0.1223 0.1737 -0.0801 261 TYR A CD1 1653 C CD2 . TYR A 234 ? 1.2156 0.9556 0.8872 0.1201 0.2069 -0.0919 261 TYR A CD2 1654 C CE1 . TYR A 234 ? 1.1814 0.9065 0.8351 0.1052 0.1682 -0.0792 261 TYR A CE1 1655 C CE2 . TYR A 234 ? 1.2081 0.9384 0.8664 0.1026 0.2024 -0.0904 261 TYR A CE2 1656 C CZ . TYR A 234 ? 1.1864 0.9104 0.8365 0.0965 0.1821 -0.0838 261 TYR A CZ 1657 O OH . TYR A 234 ? 1.1868 0.9010 0.8230 0.0824 0.1772 -0.0820 261 TYR A OH 1658 N N . THR A 235 ? 1.3614 1.0732 1.0251 0.2019 0.2156 -0.0865 262 THR A N 1659 C CA . THR A 235 ? 1.3992 1.1212 1.0754 0.2275 0.2292 -0.0900 262 THR A CA 1660 C C . THR A 235 ? 1.4620 1.1282 1.0958 0.2386 0.2402 -0.0876 262 THR A C 1661 O O . THR A 235 ? 1.4992 1.1679 1.1391 0.2609 0.2536 -0.0906 262 THR A O 1662 C CB . THR A 235 ? 1.3846 1.1502 1.0951 0.2502 0.2172 -0.0881 262 THR A CB 1663 O OG1 . THR A 235 ? 1.4125 1.1497 1.0980 0.2550 0.2026 -0.0785 262 THR A OG1 1664 C CG2 . THR A 235 ? 1.3401 1.1649 1.0954 0.2400 0.2086 -0.0931 262 THR A CG2 1665 N N . SER A 236 ? 1.4839 1.1016 1.0764 0.2235 0.2350 -0.0835 263 SER A N 1666 C CA . SER A 236 ? 1.5244 1.0843 1.0718 0.2266 0.2482 -0.0838 263 SER A CA 1667 C C . SER A 236 ? 1.5381 1.0704 1.0591 0.2059 0.2583 -0.0894 263 SER A C 1668 O O . SER A 236 ? 1.5829 1.0676 1.0654 0.2057 0.2704 -0.0915 263 SER A O 1669 C CB . SER A 236 ? 1.5415 1.0627 1.0571 0.2230 0.2376 -0.0780 263 SER A CB 1670 O OG . SER A 236 ? 1.5372 1.0781 1.0706 0.2416 0.2279 -0.0719 263 SER A OG 1671 N N . GLY A 237 ? 1.5117 1.0700 1.0495 0.1890 0.2539 -0.0918 264 GLY A N 1672 C CA . GLY A 237 ? 1.5249 1.0555 1.0334 0.1702 0.2615 -0.0962 264 GLY A CA 1673 C C . GLY A 237 ? 1.5396 1.0247 1.0039 0.1553 0.2510 -0.0949 264 GLY A C 1674 O O . GLY A 237 ? 1.5780 1.0199 1.0039 0.1523 0.2620 -0.0986 264 GLY A O 1675 N N . LYS A 238 ? 1.5127 1.0092 0.9839 0.1457 0.2301 -0.0908 265 LYS A N 1676 C CA . LYS A 238 ? 1.5247 0.9874 0.9618 0.1302 0.2180 -0.0916 265 LYS A CA 1677 C C . LYS A 238 ? 1.4876 0.9640 0.9262 0.1124 0.2020 -0.0916 265 LYS A C 1678 O O . LYS A 238 ? 1.4621 0.9320 0.8912 0.1007 0.1857 -0.0919 265 LYS A O 1679 C CB . LYS A 238 ? 1.5335 0.9919 0.9737 0.1352 0.2092 -0.0879 265 LYS A CB 1680 C CG . LYS A 238 ? 1.5728 1.0151 1.0088 0.1570 0.2243 -0.0863 265 LYS A CG 1681 C CD . LYS A 238 ? 1.6323 1.0238 1.0256 0.1566 0.2412 -0.0918 265 LYS A CD 1682 C CE . LYS A 238 ? 1.6668 1.0399 1.0543 0.1812 0.2578 -0.0897 265 LYS A CE 1683 N NZ . LYS A 238 ? 1.7118 1.0424 1.0640 0.1832 0.2784 -0.0955 265 LYS A NZ 1684 N N . ARG A 239 ? 1.4796 0.9735 0.9291 0.1106 0.2080 -0.0922 266 ARG A N 1685 C CA . ARG A 239 ? 1.4673 0.9684 0.9126 0.0966 0.1959 -0.0916 266 ARG A CA 1686 C C . ARG A 239 ? 1.5201 0.9792 0.9172 0.0877 0.1991 -0.0963 266 ARG A C 1687 O O . ARG A 239 ? 1.5528 0.9830 0.9261 0.0920 0.2157 -0.1002 266 ARG A O 1688 C CB . ARG A 239 ? 1.4341 0.9691 0.9100 0.0980 0.2036 -0.0904 266 ARG A CB 1689 C CG . ARG A 239 ? 1.3916 0.9716 0.9152 0.1072 0.1995 -0.0872 266 ARG A CG 1690 C CD . ARG A 239 ? 1.3708 0.9836 0.9253 0.1096 0.2134 -0.0900 266 ARG A CD 1691 N NE . ARG A 239 ? 1.3644 0.9775 0.9119 0.0953 0.2117 -0.0900 266 ARG A NE 1692 C CZ . ARG A 239 ? 1.3677 0.9903 0.9231 0.0905 0.2286 -0.0943 266 ARG A CZ 1693 N NH1 . ARG A 239 ? 1.3743 1.0137 0.9510 0.0982 0.2488 -0.1006 266 ARG A NH1 1694 N NH2 . ARG A 239 ? 1.3674 0.9816 0.9085 0.0780 0.2265 -0.0931 266 ARG A NH2 1695 N N . SER A 240 ? 1.5392 0.9944 0.9206 0.0766 0.1828 -0.0962 267 SER A N 1696 C CA . SER A 240 ? 1.6005 1.0179 0.9335 0.0694 0.1823 -0.1006 267 SER A CA 1697 C C . SER A 240 ? 1.6592 1.0621 0.9783 0.0726 0.2052 -0.1014 267 SER A C 1698 O O . SER A 240 ? 1.6554 1.0786 0.9935 0.0725 0.2106 -0.0984 267 SER A O 1699 C CB . SER A 240 ? 1.5821 1.0052 0.9058 0.0613 0.1599 -0.0994 267 SER A CB 1700 O OG . SER A 240 ? 1.6094 0.9965 0.8836 0.0573 0.1585 -0.1032 267 SER A OG 1701 N N . ASN A 241 ? 1.7497 1.1160 1.0353 0.0742 0.2207 -0.1063 268 ASN A N 1702 C CA . ASN A 241 ? 1.8144 1.1584 1.0780 0.0753 0.2446 -0.1087 268 ASN A CA 1703 C C . ASN A 241 ? 1.8297 1.1267 1.0317 0.0677 0.2400 -0.1120 268 ASN A C 1704 O O . ASN A 241 ? 1.8792 1.1380 1.0442 0.0680 0.2569 -0.1167 268 ASN A O 1705 C CB . ASN A 241 ? 1.8663 1.2069 1.1417 0.0854 0.2702 -0.1120 268 ASN A CB 1706 C CG . ASN A 241 ? 1.9346 1.2546 1.1963 0.0892 0.2676 -0.1145 268 ASN A CG 1707 O OD1 . ASN A 241 ? 1.9347 1.2328 1.1666 0.0808 0.2507 -0.1165 268 ASN A OD1 1708 N ND2 . ASN A 241 ? 2.0329 1.3603 1.3164 0.1024 0.2848 -0.1153 268 ASN A ND2 1709 N N . THR A 242 ? 1.7879 1.0889 0.9790 0.0622 0.2160 -0.1096 269 THR A N 1710 C CA . THR A 242 ? 1.8065 1.0697 0.9410 0.0577 0.2069 -0.1118 269 THR A CA 1711 C C . THR A 242 ? 1.7808 1.0610 0.9215 0.0573 0.1921 -0.1057 269 THR A C 1712 O O . THR A 242 ? 1.7182 1.0361 0.9053 0.0585 0.1931 -0.1008 269 THR A O 1713 C CB . THR A 242 ? 1.8189 1.0657 0.9259 0.0527 0.1859 -0.1185 269 THR A CB 1714 O OG1 . THR A 242 ? 1.7764 1.0609 0.9194 0.0502 0.1615 -0.1174 269 THR A OG1 1715 C CG2 . THR A 242 ? 1.8381 1.0639 0.9366 0.0526 0.2017 -0.1245 269 THR A CG2 1716 N N . THR A 243 ? 1.8259 1.0764 0.9170 0.0566 0.1786 -0.1064 270 THR A N 1717 C CA . THR A 243 ? 1.8086 1.0701 0.8975 0.0587 0.1598 -0.1010 270 THR A CA 1718 C C . THR A 243 ? 1.7492 1.0488 0.8707 0.0575 0.1294 -0.1018 270 THR A C 1719 O O . THR A 243 ? 1.7031 1.0242 0.8411 0.0601 0.1156 -0.0967 270 THR A O 1720 C CB . THR A 243 ? 1.8739 1.0875 0.8924 0.0619 0.1534 -0.1017 270 THR A CB 1721 O OG1 . THR A 243 ? 1.9238 1.0937 0.9030 0.0610 0.1818 -0.1038 270 THR A OG1 1722 C CG2 . THR A 243 ? 1.8775 1.0910 0.8866 0.0674 0.1456 -0.0940 270 THR A CG2 1723 N N . GLY A 244 ? 1.7364 1.0416 0.8655 0.0530 0.1211 -0.1090 271 GLY A N 1724 C CA . GLY A 244 ? 1.7080 1.0430 0.8605 0.0492 0.0938 -0.1131 271 GLY A CA 1725 C C . GLY A 244 ? 1.6386 1.0164 0.8516 0.0471 0.0928 -0.1101 271 GLY A C 1726 O O . GLY A 244 ? 1.5911 0.9787 0.8320 0.0494 0.1124 -0.1056 271 GLY A O 1727 N N . LYS A 245 ? 1.6102 1.0137 0.8423 0.0429 0.0692 -0.1139 272 LYS A N 1728 C CA . LYS A 245 ? 1.5664 1.0084 0.8509 0.0404 0.0651 -0.1113 272 LYS A CA 1729 C C . LYS A 245 ? 1.5584 0.9961 0.8525 0.0341 0.0726 -0.1175 272 LYS A C 1730 O O . LYS A 245 ? 1.5928 1.0120 0.8610 0.0269 0.0665 -0.1277 272 LYS A O 1731 C CB . LYS A 245 ? 1.5594 1.0288 0.8585 0.0384 0.0386 -0.1137 272 LYS A CB 1732 C CG . LYS A 245 ? 1.5250 1.0305 0.8707 0.0403 0.0366 -0.1059 272 LYS A CG 1733 C CD . LYS A 245 ? 1.5200 1.0521 0.8802 0.0389 0.0116 -0.1093 272 LYS A CD 1734 C CE . LYS A 245 ? 1.4621 1.0275 0.8674 0.0398 0.0112 -0.1020 272 LYS A CE 1735 N NZ . LYS A 245 ? 1.4321 1.0266 0.8598 0.0363 -0.0101 -0.1077 272 LYS A NZ 1736 N N . LEU A 246 ? 1.5174 0.9705 0.8459 0.0374 0.0861 -0.1117 273 LEU A N 1737 C CA . LEU A 246 ? 1.5040 0.9495 0.8403 0.0349 0.0957 -0.1153 273 LEU A CA 1738 C C . LEU A 246 ? 1.4611 0.9379 0.8384 0.0326 0.0879 -0.1127 273 LEU A C 1739 O O . LEU A 246 ? 1.4171 0.9187 0.8252 0.0394 0.0908 -0.1040 273 LEU A O 1740 C CB . LEU A 246 ? 1.4988 0.9296 0.8338 0.0449 0.1206 -0.1105 273 LEU A CB 1741 C CG . LEU A 246 ? 1.4963 0.9144 0.8357 0.0479 0.1339 -0.1120 273 LEU A CG 1742 C CD1 . LEU A 246 ? 1.5302 0.9145 0.8343 0.0371 0.1323 -0.1230 273 LEU A CD1 1743 C CD2 . LEU A 246 ? 1.4990 0.9095 0.8409 0.0614 0.1570 -0.1074 273 LEU A CD2 1744 N N . ILE A 247 ? 1.4657 0.9398 0.8418 0.0217 0.0793 -0.1214 274 ILE A N 1745 C CA . ILE A 247 ? 1.4313 0.9292 0.8405 0.0171 0.0731 -0.1207 274 ILE A CA 1746 C C . ILE A 247 ? 1.4648 0.9395 0.8684 0.0154 0.0881 -0.1233 274 ILE A C 1747 O O . ILE A 247 ? 1.4987 0.9500 0.8793 0.0040 0.0892 -0.1344 274 ILE A O 1748 C CB . ILE A 247 ? 1.4173 0.9335 0.8324 0.0043 0.0517 -0.1305 274 ILE A CB 1749 C CG1 . ILE A 247 ? 1.4006 0.9362 0.8174 0.0098 0.0367 -0.1267 274 ILE A CG1 1750 C CG2 . ILE A 247 ? 1.3942 0.9314 0.8421 -0.0022 0.0490 -0.1311 274 ILE A CG2 1751 C CD1 . ILE A 247 ? 1.4014 0.9555 0.8201 0.0013 0.0138 -0.1374 274 ILE A CD1 1752 N N . TRP A 248 ? 1.4717 0.9518 0.8941 0.0272 0.0998 -0.1135 275 TRP A N 1753 C CA . TRP A 248 ? 1.5060 0.9628 0.9222 0.0296 0.1137 -0.1137 275 TRP A CA 1754 C C . TRP A 248 ? 1.5211 0.9861 0.9518 0.0175 0.1066 -0.1177 275 TRP A C 1755 O O . TRP A 248 ? 1.4887 0.9866 0.9465 0.0135 0.0927 -0.1159 275 TRP A O 1756 C CB . TRP A 248 ? 1.4963 0.9594 0.9278 0.0496 0.1262 -0.1021 275 TRP A CB 1757 C CG . TRP A 248 ? 1.5165 0.9706 0.9362 0.0612 0.1382 -0.0998 275 TRP A CG 1758 C CD1 . TRP A 248 ? 1.4992 0.9778 0.9350 0.0681 0.1376 -0.0948 275 TRP A CD1 1759 C CD2 . TRP A 248 ? 1.5713 0.9868 0.9594 0.0663 0.1551 -0.1034 275 TRP A CD2 1760 N NE1 . TRP A 248 ? 1.5312 0.9908 0.9493 0.0767 0.1535 -0.0955 275 TRP A NE1 1761 C CE2 . TRP A 248 ? 1.5698 0.9910 0.9587 0.0767 0.1640 -0.1004 275 TRP A CE2 1762 C CE3 . TRP A 248 ? 1.6220 0.9962 0.9798 0.0623 0.1656 -0.1095 275 TRP A CE3 1763 C CZ2 . TRP A 248 ? 1.6152 1.0041 0.9774 0.0841 0.1824 -0.1031 275 TRP A CZ2 1764 C CZ3 . TRP A 248 ? 1.6549 0.9948 0.9838 0.0702 0.1834 -0.1116 275 TRP A CZ3 1765 C CH2 . TRP A 248 ? 1.6532 1.0018 0.9855 0.0815 0.1914 -0.1083 275 TRP A CH2 1766 N N . LYS A 249 ? 1.5946 1.0263 1.0050 0.0113 0.1181 -0.1237 276 LYS A N 1767 C CA . LYS A 249 ? 1.6312 1.0617 1.0511 0.0008 0.1184 -0.1270 276 LYS A CA 1768 C C . LYS A 249 ? 1.6855 1.0837 1.0911 0.0144 0.1374 -0.1195 276 LYS A C 1769 O O . LYS A 249 ? 1.7359 1.1009 1.1142 0.0234 0.1518 -0.1190 276 LYS A O 1770 C CB . LYS A 249 ? 1.6723 1.0897 1.0774 -0.0235 0.1152 -0.1447 276 LYS A CB 1771 C CG . LYS A 249 ? 1.7158 1.1242 1.1262 -0.0371 0.1212 -0.1505 276 LYS A CG 1772 C CD . LYS A 249 ? 1.7514 1.1707 1.1661 -0.0637 0.1118 -0.1699 276 LYS A CD 1773 C CE . LYS A 249 ? 1.7753 1.1859 1.1976 -0.0784 0.1213 -0.1759 276 LYS A CE 1774 N NZ . LYS A 249 ? 1.7941 1.2210 1.2267 -0.1062 0.1136 -0.1976 276 LYS A NZ 1775 N N . VAL A 250 ? 1.7199 1.1270 1.1421 0.0177 0.1374 -0.1133 277 VAL A N 1776 C CA . VAL A 250 ? 1.7866 1.1602 1.1912 0.0311 0.1537 -0.1063 277 VAL A CA 1777 C C . VAL A 250 ? 1.8720 1.2126 1.2568 0.0100 0.1626 -0.1174 277 VAL A C 1778 O O . VAL A 250 ? 1.8758 1.2379 1.2808 -0.0062 0.1537 -0.1228 277 VAL A O 1779 C CB . VAL A 250 ? 1.7613 1.1629 1.1924 0.0475 0.1478 -0.0932 277 VAL A CB 1780 C CG1 . VAL A 250 ? 1.8074 1.1726 1.2153 0.0666 0.1631 -0.0850 277 VAL A CG1 1781 C CG2 . VAL A 250 ? 1.7189 1.1621 1.1769 0.0617 0.1377 -0.0858 277 VAL A CG2 1782 N N . ASN A 251 ? 1.9889 1.2765 1.3341 0.0094 0.1817 -0.1219 278 ASN A N 1783 C CA . ASN A 251 ? 2.0757 1.3264 1.3981 -0.0139 0.1941 -0.1348 278 ASN A CA 1784 C C . ASN A 251 ? 2.0961 1.3314 1.4166 -0.0088 0.2024 -0.1272 278 ASN A C 1785 O O . ASN A 251 ? 2.0496 1.2890 1.3738 0.0177 0.2020 -0.1113 278 ASN A O 1786 C CB . ASN A 251 ? 2.1581 1.3521 1.4345 -0.0187 0.2139 -0.1434 278 ASN A CB 1787 C CG . ASN A 251 ? 2.2186 1.3615 1.4602 0.0064 0.2351 -0.1313 278 ASN A CG 1788 O OD1 . ASN A 251 ? 2.2556 1.3601 1.4751 0.0052 0.2499 -0.1301 278 ASN A OD1 1789 N ND2 . ASN A 251 ? 2.2409 1.3797 1.4745 0.0294 0.2380 -0.1234 278 ASN A ND2 1790 N N . PRO A 252 ? 2.1540 1.3730 1.4687 -0.0345 0.2099 -0.1395 279 PRO A N 1791 C CA . PRO A 252 ? 2.1829 1.3881 1.4958 -0.0335 0.2175 -0.1337 279 PRO A CA 1792 C C . PRO A 252 ? 2.2359 1.3942 1.5138 -0.0046 0.2332 -0.1174 279 PRO A C 1793 O O . PRO A 252 ? 2.2057 1.3681 1.4891 0.0061 0.2315 -0.1072 279 PRO A O 1794 C CB . PRO A 252 ? 2.2124 1.3898 1.5110 -0.0682 0.2318 -0.1536 279 PRO A CB 1795 C CG . PRO A 252 ? 2.1866 1.3987 1.5056 -0.0890 0.2179 -0.1701 279 PRO A CG 1796 C CD . PRO A 252 ? 2.1758 1.3904 1.4863 -0.0675 0.2117 -0.1615 279 PRO A CD 1797 N N . GLU A 253 ? 2.3072 1.4216 1.5482 0.0089 0.2477 -0.1153 280 GLU A N 1798 C CA . GLU A 253 ? 2.3821 1.4437 1.5824 0.0375 0.2648 -0.1017 280 GLU A CA 1799 C C . GLU A 253 ? 2.3509 1.4443 1.5698 0.0755 0.2514 -0.0828 280 GLU A C 1800 O O . GLU A 253 ? 2.3871 1.4431 1.5754 0.1020 0.2619 -0.0711 280 GLU A O 1801 C CB . GLU A 253 ? 2.4583 1.4596 1.6114 0.0394 0.2865 -0.1070 280 GLU A CB 1802 C CG . GLU A 253 ? 2.5137 1.4691 1.6375 0.0027 0.3057 -0.1262 280 GLU A CG 1803 C CD . GLU A 253 ? 2.5617 1.4764 1.6516 -0.0049 0.3209 -0.1367 280 GLU A CD 1804 O OE1 . GLU A 253 ? 2.5857 1.4840 1.6584 0.0235 0.3253 -0.1264 280 GLU A OE1 1805 O OE2 . GLU A 253 ? 2.5710 1.4708 1.6518 -0.0402 0.3291 -0.1567 280 GLU A OE2 1806 N N . ILE A 254 ? 2.2987 1.4593 1.5655 0.0784 0.2291 -0.0805 281 ILE A N 1807 C CA . ILE A 254 ? 2.2825 1.4818 1.5738 0.1097 0.2158 -0.0658 281 ILE A CA 1808 C C . ILE A 254 ? 2.2489 1.4834 1.5680 0.1065 0.2018 -0.0609 281 ILE A C 1809 O O . ILE A 254 ? 2.2023 1.4829 1.5584 0.0872 0.1871 -0.0664 281 ILE A O 1810 C CB . ILE A 254 ? 2.2404 1.4896 1.5656 0.1144 0.2026 -0.0666 281 ILE A CB 1811 C CG1 . ILE A 254 ? 2.2842 1.4982 1.5809 0.1168 0.2170 -0.0721 281 ILE A CG1 1812 C CG2 . ILE A 254 ? 2.2019 1.4940 1.5553 0.1437 0.1906 -0.0543 281 ILE A CG2 1813 C CD1 . ILE A 254 ? 2.2879 1.4950 1.5795 0.0841 0.2180 -0.0876 281 ILE A CD1 1814 N N . ASP A 255 ? 2.2742 1.4854 1.5730 0.1268 0.2062 -0.0503 282 ASP A N 1815 C CA . ASP A 255 ? 2.2334 1.4741 1.5540 0.1259 0.1937 -0.0449 282 ASP A CA 1816 C C . ASP A 255 ? 2.1845 1.4911 1.5492 0.1438 0.1727 -0.0376 282 ASP A C 1817 O O . ASP A 255 ? 2.1738 1.4946 1.5447 0.1646 0.1708 -0.0342 282 ASP A O 1818 C CB . ASP A 255 ? 2.2602 1.4472 1.5370 0.1405 0.2063 -0.0367 282 ASP A CB 1819 C CG . ASP A 255 ? 2.2541 1.4424 1.5203 0.1827 0.2010 -0.0224 282 ASP A CG 1820 O OD1 . ASP A 255 ? 2.2930 1.4382 1.5230 0.2039 0.2142 -0.0188 282 ASP A OD1 1821 O OD2 . ASP A 255 ? 2.1972 1.4300 1.4909 0.1949 0.1836 -0.0157 282 ASP A OD2 1822 N N . THR A 256 ? 2.1462 1.4915 1.5408 0.1343 0.1590 -0.0365 283 THR A N 1823 C CA . THR A 256 ? 2.0903 1.4986 1.5277 0.1457 0.1401 -0.0315 283 THR A CA 1824 C C . THR A 256 ? 2.1314 1.5485 1.5681 0.1635 0.1324 -0.0220 283 THR A C 1825 O O . THR A 256 ? 2.1245 1.5765 1.5795 0.1863 0.1218 -0.0164 283 THR A O 1826 C CB . THR A 256 ? 1.9988 1.4520 1.4758 0.1193 0.1285 -0.0391 283 THR A CB 1827 O OG1 . THR A 256 ? 1.9645 1.4201 1.4473 0.1030 0.1256 -0.0403 283 THR A OG1 1828 C CG2 . THR A 256 ? 1.9867 1.4262 1.4581 0.0995 0.1349 -0.0498 283 THR A CG2 1829 N N . THR A 257 ? 2.1791 1.5674 1.5963 0.1516 0.1377 -0.0217 284 THR A N 1830 C CA . THR A 257 ? 2.2156 1.5954 1.6170 0.1695 0.1337 -0.0124 284 THR A CA 1831 C C . THR A 257 ? 2.2504 1.5682 1.6085 0.1571 0.1505 -0.0131 284 THR A C 1832 O O . THR A 257 ? 2.2612 1.5262 1.5841 0.1515 0.1689 -0.0169 284 THR A O 1833 C CB . THR A 257 ? 2.1850 1.6241 1.6287 0.1643 0.1151 -0.0113 284 THR A CB 1834 O OG1 . THR A 257 ? 2.1686 1.6619 1.6500 0.1750 0.1023 -0.0116 284 THR A OG1 1835 C CG2 . THR A 257 ? 2.2003 1.6286 1.6237 0.1823 0.1102 -0.0025 284 THR A CG2 1836 N N . GLU A 260 ? 2.2101 1.4889 1.5557 0.0868 0.1674 -0.0221 287 GLU A N 1837 C CA . GLU A 260 ? 2.1903 1.4867 1.5557 0.0658 0.1664 -0.0262 287 GLU A CA 1838 C C . GLU A 260 ? 2.1672 1.4704 1.5226 0.0862 0.1553 -0.0144 287 GLU A C 1839 O O . GLU A 260 ? 2.1904 1.4649 1.5237 0.0782 0.1647 -0.0137 287 GLU A O 1840 C CB . GLU A 260 ? 2.2437 1.4866 1.5809 0.0395 0.1918 -0.0359 287 GLU A CB 1841 C CG . GLU A 260 ? 2.2455 1.4906 1.5993 0.0135 0.2012 -0.0514 287 GLU A CG 1842 C CD . GLU A 260 ? 2.1791 1.4929 1.5949 -0.0063 0.1856 -0.0614 287 GLU A CD 1843 O OE1 . GLU A 260 ? 2.1409 1.4923 1.5851 -0.0077 0.1737 -0.0586 287 GLU A OE1 1844 O OE2 . GLU A 260 ? 2.1597 1.4875 1.5929 -0.0199 0.1853 -0.0722 287 GLU A OE2 1845 N N . TRP A 261 ? 2.1085 1.4505 1.4803 0.1117 0.1359 -0.0066 288 TRP A N 1846 C CA . TRP A 261 ? 2.0662 1.4275 1.4359 0.1316 0.1210 0.0023 288 TRP A CA 1847 C C . TRP A 261 ? 1.8895 1.3254 1.3180 0.1238 0.1015 -0.0008 288 TRP A C 1848 O O . TRP A 261 ? 1.8551 1.3271 1.3187 0.1180 0.0959 -0.0058 288 TRP A O 1849 C CB . TRP A 261 ? 2.1533 1.5009 1.4935 0.1700 0.1142 0.0124 288 TRP A CB 1850 C CG . TRP A 261 ? 2.2846 1.5536 1.5558 0.1863 0.1307 0.0194 288 TRP A CG 1851 C CD1 . TRP A 261 ? 2.3417 1.5463 1.5743 0.1671 0.1554 0.0158 288 TRP A CD1 1852 C CD2 . TRP A 261 ? 2.3802 1.6250 1.6109 0.2261 0.1247 0.0305 288 TRP A CD2 1853 N NE1 . TRP A 261 ? 2.4524 1.5884 1.6185 0.1919 0.1668 0.0250 288 TRP A NE1 1854 C CE2 . TRP A 261 ? 2.4792 1.6382 1.6421 0.2303 0.1472 0.0348 288 TRP A CE2 1855 C CE3 . TRP A 261 ? 2.3838 1.6720 1.6292 0.2592 0.1027 0.0362 288 TRP A CE3 1856 C CZ2 . TRP A 261 ? 2.5564 1.6677 1.6612 0.2693 0.1475 0.0464 288 TRP A CZ2 1857 C CZ3 . TRP A 261 ? 2.4542 1.7025 1.6477 0.2983 0.1011 0.0464 288 TRP A CZ3 1858 C CH2 . TRP A 261 ? 2.5361 1.6947 1.6580 0.3043 0.1230 0.0524 288 TRP A CH2 1859 N N . ALA A 262 ? 1.7518 1.2060 1.1866 0.1237 0.0926 0.0019 289 ALA A N 1860 C CA . ALA A 262 ? 1.5950 1.1142 1.0796 0.1169 0.0759 -0.0007 289 ALA A CA 1861 C C . ALA A 262 ? 1.5101 1.0694 1.0107 0.1419 0.0592 0.0028 289 ALA A C 1862 O O . ALA A 262 ? 1.5225 1.0614 0.9934 0.1686 0.0573 0.0088 289 ALA A O 1863 C CB . ALA A 262 ? 1.5911 1.1123 1.0731 0.1082 0.0738 0.0003 289 ALA A CB 1864 N N . PHE A 263 ? 1.3936 1.0095 0.9409 0.1334 0.0481 -0.0017 290 PHE A N 1865 C CA . PHE A 263 ? 1.3225 0.9837 0.8940 0.1517 0.0347 -0.0017 290 PHE A CA 1866 C C . PHE A 263 ? 1.3370 1.0135 0.8979 0.1758 0.0211 0.0024 290 PHE A C 1867 O O . PHE A 263 ? 1.3498 1.0456 0.9143 0.1995 0.0134 0.0032 290 PHE A O 1868 C CB . PHE A 263 ? 1.2309 0.9429 0.8504 0.1336 0.0292 -0.0084 290 PHE A CB 1869 C CG . PHE A 263 ? 1.1812 0.9193 0.8186 0.1203 0.0224 -0.0101 290 PHE A CG 1870 C CD1 . PHE A 263 ? 1.1575 0.9323 0.8072 0.1315 0.0095 -0.0106 290 PHE A CD1 1871 C CD2 . PHE A 263 ? 1.1450 0.8745 0.7896 0.0962 0.0291 -0.0128 290 PHE A CD2 1872 C CE1 . PHE A 263 ? 1.1195 0.9161 0.7838 0.1176 0.0046 -0.0131 290 PHE A CE1 1873 C CE2 . PHE A 263 ? 1.1147 0.8659 0.7746 0.0847 0.0245 -0.0144 290 PHE A CE2 1874 C CZ . PHE A 263 ? 1.1038 0.8862 0.7717 0.0947 0.0128 -0.0143 290 PHE A CZ 1875 N N . TRP A 264 ? 1.3282 0.9975 0.8766 0.1698 0.0181 0.0041 291 TRP A N 1876 C CA . TRP A 264 ? 1.3355 1.0204 0.8722 0.1901 0.0033 0.0069 291 TRP A CA 1877 C C . TRP A 264 ? 1.4463 1.0834 0.9287 0.2199 0.0037 0.0153 291 TRP A C 1878 O O . TRP A 264 ? 1.4567 1.1061 0.9252 0.2415 -0.0107 0.0177 291 TRP A O 1879 C CB . TRP A 264 ? 1.2895 0.9797 0.8284 0.1717 0.0011 0.0055 291 TRP A CB 1880 C CG . TRP A 264 ? 1.2868 0.9173 0.7873 0.1595 0.0166 0.0094 291 TRP A CG 1881 C CD1 . TRP A 264 ? 1.3239 0.9034 0.7710 0.1742 0.0204 0.0163 291 TRP A CD1 1882 C CD2 . TRP A 264 ? 1.2413 0.8572 0.7539 0.1301 0.0315 0.0054 291 TRP A CD2 1883 N NE1 . TRP A 264 ? 1.3287 0.8616 0.7544 0.1534 0.0390 0.0163 291 TRP A NE1 1884 C CE2 . TRP A 264 ? 1.2717 0.8293 0.7399 0.1263 0.0454 0.0090 291 TRP A CE2 1885 C CE3 . TRP A 264 ? 1.1863 0.8324 0.7417 0.1079 0.0345 -0.0012 291 TRP A CE3 1886 C CZ2 . TRP A 264 ? 1.2637 0.7984 0.7351 0.0993 0.0624 0.0043 291 TRP A CZ2 1887 C CZ3 . TRP A 264 ? 1.1767 0.8008 0.7340 0.0840 0.0486 -0.0049 291 TRP A CZ3 1888 C CH2 . TRP A 264 ? 1.2154 0.7870 0.7338 0.0792 0.0626 -0.0029 291 TRP A CH2 1889 N N . GLU A 265 ? 1.5319 1.1131 0.9816 0.2205 0.0205 0.0192 292 GLU A N 1890 C CA . GLU A 265 ? 1.6385 1.1620 1.0296 0.2488 0.0256 0.0278 292 GLU A CA 1891 C C . GLU A 265 ? 1.6965 1.2105 1.0835 0.2681 0.0303 0.0291 292 GLU A C 1892 O O . GLU A 265 ? 1.7396 1.2211 1.0854 0.3003 0.0293 0.0361 292 GLU A O 1893 C CB . GLU A 265 ? 1.6772 1.1288 1.0201 0.2337 0.0455 0.0313 292 GLU A CB 1894 C CG . GLU A 265 ? 1.6442 1.0853 1.0073 0.1970 0.0633 0.0242 292 GLU A CG 1895 C CD . GLU A 265 ? 1.6755 1.0550 0.9987 0.1789 0.0833 0.0247 292 GLU A CD 1896 O OE1 . GLU A 265 ? 1.6791 1.0426 1.0118 0.1528 0.0998 0.0179 292 GLU A OE1 1897 O OE2 . GLU A 265 ? 1.7083 1.0564 0.9911 0.1896 0.0830 0.0307 292 GLU A OE2 1898 N N . THR A 266 ? 1.7191 1.2577 1.1447 0.2497 0.0360 0.0224 293 THR A N 1899 C CA . THR A 266 ? 1.7605 1.3081 1.1955 0.2665 0.0375 0.0215 293 THR A CA 1900 C C . THR A 266 ? 1.7186 1.3399 1.2001 0.2808 0.0186 0.0171 293 THR A C 1901 O O . THR A 266 ? 1.7325 1.3739 1.2084 0.3060 0.0036 0.0194 293 THR A O 1902 C CB . THR A 266 ? 1.7536 1.2944 1.2071 0.2396 0.0519 0.0154 293 THR A CB 1903 O OG1 . THR A 266 ? 1.7038 1.2912 1.2038 0.2114 0.0464 0.0084 293 THR A OG1 1904 C CG2 . THR A 266 ? 1.8075 1.2768 1.2167 0.2256 0.0726 0.0169 293 THR A CG2 1905 N N . LEU A 279 ? 2.1749 1.3960 1.4661 0.2768 0.2558 -0.0454 305 LEU A N 1906 C CA . LEU A 279 ? 2.1491 1.3999 1.4630 0.2410 0.2438 -0.0530 305 LEU A CA 1907 C C . LEU A 279 ? 2.1507 1.4054 1.4668 0.2309 0.2509 -0.0611 305 LEU A C 1908 O O . LEU A 279 ? 2.1281 1.4195 1.4720 0.2467 0.2511 -0.0603 305 LEU A O 1909 C CB . LEU A 279 ? 2.0831 1.4013 1.4469 0.2409 0.2222 -0.0491 305 LEU A CB 1910 C CG . LEU A 279 ? 2.0412 1.3882 1.4267 0.2071 0.2075 -0.0546 305 LEU A CG 1911 C CD1 . LEU A 279 ? 2.0585 1.3699 1.4188 0.1856 0.2073 -0.0570 305 LEU A CD1 1912 C CD2 . LEU A 279 ? 1.9760 1.3879 1.4097 0.2113 0.1898 -0.0506 305 LEU A CD2 1913 N N . SER A 280 ? 2.1803 1.3972 1.4664 0.2040 0.2574 -0.0699 306 SER A N 1914 C CA . SER A 280 ? 2.2011 1.4102 1.4778 0.1927 0.2650 -0.0783 306 SER A CA 1915 C C . SER A 280 ? 2.1744 1.4042 1.4611 0.1594 0.2502 -0.0865 306 SER A C 1916 O O . SER A 280 ? 2.1547 1.3894 1.4454 0.1410 0.2385 -0.0884 306 SER A O 1917 C CB . SER A 280 ? 2.2757 1.4147 1.4993 0.1931 0.2874 -0.0832 306 SER A CB 1918 O OG . SER A 280 ? 2.3185 1.4191 1.5131 0.1705 0.2886 -0.0884 306 SER A OG 1919 N N . PHE A 281 ? 2.1737 1.4134 1.4623 0.1532 0.2517 -0.0916 307 PHE A N 1920 C CA . PHE A 281 ? 2.1538 1.4136 1.4492 0.1269 0.2370 -0.0987 307 PHE A CA 1921 C C . PHE A 281 ? 2.1768 1.3963 1.4324 0.1128 0.2470 -0.1091 307 PHE A C 1922 O O . PHE A 281 ? 2.2023 1.4032 1.4433 0.1261 0.2634 -0.1092 307 PHE A O 1923 C CB . PHE A 281 ? 2.1258 1.4387 1.4602 0.1332 0.2279 -0.0944 307 PHE A CB 1924 C CG . PHE A 281 ? 2.0916 1.4493 1.4669 0.1445 0.2163 -0.0858 307 PHE A CG 1925 C CD1 . PHE A 281 ? 2.0628 1.4507 1.4596 0.1287 0.1972 -0.0852 307 PHE A CD1 1926 C CD2 . PHE A 281 ? 2.0962 1.4673 1.4884 0.1719 0.2240 -0.0789 307 PHE A CD2 1927 C CE1 . PHE A 281 ? 2.0403 1.4672 1.4720 0.1380 0.1871 -0.0779 307 PHE A CE1 1928 C CE2 . PHE A 281 ? 2.0758 1.4892 1.5038 0.1819 0.2119 -0.0721 307 PHE A CE2 1929 C CZ . PHE A 281 ? 2.0431 1.4827 1.4897 0.1640 0.1941 -0.0715 307 PHE A CZ 1930 N N . THR A 282 ? 2.1678 1.3758 1.4068 0.0863 0.2369 -0.1189 308 THR A N 1931 C CA . THR A 282 ? 2.2077 1.3812 1.4080 0.0700 0.2423 -0.1308 308 THR A CA 1932 C C . THR A 282 ? 2.2031 1.3996 1.4076 0.0458 0.2200 -0.1395 308 THR A C 1933 O O . THR A 282 ? 2.1616 1.3862 1.3902 0.0357 0.2038 -0.1398 308 THR A O 1934 C CB . THR A 282 ? 2.2503 1.3652 1.4081 0.0626 0.2593 -0.1386 308 THR A CB 1935 O OG1 . THR A 282 ? 2.2290 1.3445 1.3933 0.0496 0.2524 -0.1412 308 THR A OG1 1936 C CG2 . THR A 282 ? 2.2720 1.3547 1.4151 0.0897 0.2835 -0.1308 308 THR A CG2 1937 N N . VAL A 283 ? 2.2582 1.4402 1.4363 0.0377 0.2199 -0.1469 309 VAL A N 1938 C CA . VAL A 283 ? 2.2644 1.4671 1.4412 0.0197 0.1977 -0.1548 309 VAL A CA 1939 C C . VAL A 283 ? 2.3403 1.5145 1.4855 -0.0039 0.1943 -0.1716 309 VAL A C 1940 O O . VAL A 283 ? 2.4253 1.5538 1.5385 -0.0066 0.2134 -0.1774 309 VAL A O 1941 C CB . VAL A 283 ? 2.2516 1.4529 1.4124 0.0249 0.1983 -0.1538 309 VAL A CB 1942 C CG1 . VAL A 283 ? 2.2021 1.4415 1.3795 0.0183 0.1735 -0.1534 309 VAL A CG1 1943 C CG2 . VAL A 283 ? 2.2382 1.4430 1.4129 0.0477 0.2170 -0.1422 309 VAL A CG2 1944 N N . VAL A 284 ? 2.3355 1.5372 1.4897 -0.0208 0.1705 -0.1804 310 VAL A N 1945 C CA . VAL A 284 ? 2.3627 1.5488 1.4943 -0.0457 0.1637 -0.1995 310 VAL A CA 1946 C C . VAL A 284 ? 2.3877 1.5608 1.4832 -0.0530 0.1548 -0.2097 310 VAL A C 1947 O O . VAL A 284 ? 2.3645 1.5671 1.4681 -0.0501 0.1348 -0.2079 310 VAL A O 1948 C CB . VAL A 284 ? 2.3207 1.5495 1.4883 -0.0597 0.1426 -0.2054 310 VAL A CB 1949 C CG1 . VAL A 284 ? 2.3531 1.5751 1.5029 -0.0871 0.1336 -0.2284 310 VAL A CG1 1950 C CG2 . VAL A 284 ? 2.2869 1.5200 1.4821 -0.0540 0.1536 -0.1962 310 VAL A CG2 1986 N N . GLU B 1 ? 1.4151 1.2880 1.1142 -0.1076 0.1037 -0.0095 502 GLU B N 1987 C CA . GLU B 1 ? 1.4113 1.2727 1.1000 -0.1120 0.1037 -0.0073 502 GLU B CA 1988 C C . GLU B 1 ? 1.3984 1.2377 1.0724 -0.1062 0.0949 0.0003 502 GLU B C 1989 O O . GLU B 1 ? 1.4044 1.2382 1.0772 -0.0991 0.0890 0.0038 502 GLU B O 1990 C CB . GLU B 1 ? 1.4044 1.2851 1.1141 -0.1088 0.1036 -0.0097 502 GLU B CB 1991 C CG . GLU B 1 ? 1.3932 1.2993 1.1232 -0.1109 0.1097 -0.0175 502 GLU B CG 1992 C CD . GLU B 1 ? 1.3957 1.3188 1.1462 -0.1053 0.1071 -0.0188 502 GLU B CD 1993 O OE1 . GLU B 1 ? 1.3925 1.3268 1.1587 -0.0950 0.1017 -0.0175 502 GLU B OE1 1994 O OE2 . GLU B 1 ? 1.4022 1.3265 1.1520 -0.1113 0.1102 -0.0210 502 GLU B OE2 1995 N N . ALA B 2 ? 1.3901 1.2168 1.0530 -0.1094 0.0939 0.0025 503 ALA B N 1996 C CA . ALA B 2 ? 1.3639 1.1723 1.0162 -0.1028 0.0851 0.0091 503 ALA B CA 1997 C C . ALA B 2 ? 1.3091 1.1272 0.9756 -0.0971 0.0821 0.0101 503 ALA B C 1998 O O . ALA B 2 ? 1.2919 1.1262 0.9711 -0.1006 0.0872 0.0059 503 ALA B O 1999 C CB . ALA B 2 ? 1.3935 1.1740 1.0162 -0.1113 0.0856 0.0110 503 ALA B CB 2000 N N . ILE B 3 ? 1.2612 1.0696 0.9258 -0.0884 0.0739 0.0153 504 ILE B N 2001 C CA . ILE B 3 ? 1.2063 1.0230 0.8839 -0.0820 0.0707 0.0166 504 ILE B CA 2002 C C . ILE B 3 ? 1.1734 0.9716 0.8336 -0.0861 0.0697 0.0183 504 ILE B C 2003 O O . ILE B 3 ? 1.1624 0.9402 0.8068 -0.0833 0.0638 0.0223 504 ILE B O 2004 C CB . ILE B 3 ? 1.2006 1.0207 0.8896 -0.0692 0.0627 0.0207 504 ILE B CB 2005 C CG1 . ILE B 3 ? 1.1891 1.0221 0.8910 -0.0649 0.0623 0.0199 504 ILE B CG1 2006 C CG2 . ILE B 3 ? 1.1759 1.0078 0.8802 -0.0634 0.0611 0.0210 504 ILE B CG2 2007 C CD1 . ILE B 3 ? 1.1609 1.0187 0.8853 -0.0631 0.0657 0.0163 504 ILE B CD1 2008 N N . VAL B 4 ? 1.1257 0.9311 0.7891 -0.0923 0.0748 0.0151 505 VAL B N 2009 C CA . VAL B 4 ? 1.1278 0.9170 0.7757 -0.0969 0.0743 0.0163 505 VAL B CA 2010 C C . VAL B 4 ? 1.0823 0.8801 0.7439 -0.0887 0.0704 0.0177 505 VAL B C 2011 O O . VAL B 4 ? 1.0626 0.8778 0.7391 -0.0902 0.0741 0.0143 505 VAL B O 2012 C CB . VAL B 4 ? 1.1441 0.9347 0.7853 -0.1105 0.0830 0.0115 505 VAL B CB 2013 C CG1 . VAL B 4 ? 1.1668 0.9392 0.7904 -0.1159 0.0823 0.0129 505 VAL B CG1 2014 C CG2 . VAL B 4 ? 1.1576 0.9417 0.7864 -0.1190 0.0881 0.0096 505 VAL B CG2 2015 N N . ASN B 5 ? 1.0456 0.8316 0.7025 -0.0800 0.0629 0.0221 506 ASN B N 2016 C CA . ASN B 5 ? 1.0072 0.7994 0.6751 -0.0726 0.0596 0.0233 506 ASN B CA 2017 C C . ASN B 5 ? 1.0024 0.7885 0.6614 -0.0801 0.0626 0.0216 506 ASN B C 2018 O O . ASN B 5 ? 1.0352 0.7998 0.6726 -0.0854 0.0616 0.0229 506 ASN B O 2019 C CB . ASN B 5 ? 1.0019 0.7821 0.6658 -0.0623 0.0513 0.0278 506 ASN B CB 2020 C CG . ASN B 5 ? 0.9897 0.7807 0.6687 -0.0538 0.0489 0.0285 506 ASN B CG 2021 O OD1 . ASN B 5 ? 0.9903 0.7798 0.6670 -0.0563 0.0503 0.0276 506 ASN B OD1 2022 N ND2 . ASN B 5 ? 0.9727 0.7745 0.6670 -0.0441 0.0454 0.0301 506 ASN B ND2 2023 N N . ALA B 6 ? 0.9782 0.7826 0.6535 -0.0803 0.0658 0.0187 507 ALA B N 2024 C CA . ALA B 6 ? 0.9735 0.7759 0.6441 -0.0876 0.0690 0.0164 507 ALA B CA 2025 C C . ALA B 6 ? 0.9479 0.7591 0.6312 -0.0798 0.0661 0.0170 507 ALA B C 2026 O O . ALA B 6 ? 0.9530 0.7735 0.6431 -0.0839 0.0691 0.0138 507 ALA B O 2027 C CB . ALA B 6 ? 0.9686 0.7858 0.6466 -0.0974 0.0767 0.0109 507 ALA B CB 2028 N N . GLN B 7 ? 0.9199 0.7282 0.6066 -0.0689 0.0602 0.0207 508 GLN B N 2029 C CA . GLN B 7 ? 0.8969 0.7119 0.5941 -0.0611 0.0575 0.0215 508 GLN B CA 2030 C C . GLN B 7 ? 0.9068 0.7018 0.5872 -0.0607 0.0541 0.0236 508 GLN B C 2031 O O . GLN B 7 ? 0.9226 0.6980 0.5847 -0.0630 0.0518 0.0255 508 GLN B O 2032 C CB . GLN B 7 ? 0.8715 0.6959 0.5828 -0.0498 0.0537 0.0239 508 GLN B CB 2033 C CG . GLN B 7 ? 0.8487 0.6911 0.5757 -0.0492 0.0561 0.0222 508 GLN B CG 2034 C CD . GLN B 7 ? 0.8381 0.6980 0.5778 -0.0537 0.0607 0.0178 508 GLN B CD 2035 O OE1 . GLN B 7 ? 0.8330 0.7005 0.5756 -0.0599 0.0646 0.0146 508 GLN B OE1 2036 N NE2 . GLN B 7 ? 0.8374 0.7035 0.5846 -0.0505 0.0599 0.0172 508 GLN B NE2 2037 N N . PRO B 8 ? 0.9025 0.7011 0.5881 -0.0576 0.0533 0.0232 509 PRO B N 2038 C CA . PRO B 8 ? 0.9139 0.6936 0.5841 -0.0560 0.0496 0.0252 509 PRO B CA 2039 C C . PRO B 8 ? 0.9269 0.6928 0.5893 -0.0477 0.0436 0.0287 509 PRO B C 2040 O O . PRO B 8 ? 0.9484 0.6930 0.5914 -0.0496 0.0406 0.0301 509 PRO B O 2041 C CB . PRO B 8 ? 0.9026 0.6930 0.5849 -0.0508 0.0494 0.0244 509 PRO B CB 2042 C CG . PRO B 8 ? 0.8900 0.7013 0.5886 -0.0548 0.0540 0.0210 509 PRO B CG 2043 C CD . PRO B 8 ? 0.8847 0.7036 0.5892 -0.0556 0.0555 0.0208 509 PRO B CD 2044 N N . LYS B 9 ? 0.9237 0.7017 0.6013 -0.0388 0.0418 0.0299 510 LYS B N 2045 C CA . LYS B 9 ? 0.9337 0.7022 0.6079 -0.0302 0.0360 0.0326 510 LYS B CA 2046 C C . LYS B 9 ? 0.9067 0.6866 0.5931 -0.0266 0.0357 0.0333 510 LYS B C 2047 O O . LYS B 9 ? 0.8816 0.6783 0.5808 -0.0294 0.0398 0.0317 510 LYS B O 2048 C CB . LYS B 9 ? 0.9538 0.7239 0.6346 -0.0205 0.0329 0.0334 510 LYS B CB 2049 C CG . LYS B 9 ? 0.9932 0.7503 0.6611 -0.0228 0.0324 0.0329 510 LYS B CG 2050 C CD . LYS B 9 ? 1.0271 0.7754 0.6926 -0.0128 0.0272 0.0340 510 LYS B CD 2051 C CE . LYS B 9 ? 1.0796 0.8060 0.7242 -0.0157 0.0245 0.0341 510 LYS B CE 2052 N NZ . LYS B 9 ? 1.1235 0.8324 0.7572 -0.0086 0.0175 0.0354 510 LYS B NZ 2053 N N . CYS B 10 ? 0.9111 0.6810 0.5929 -0.0203 0.0302 0.0353 511 CYS B N 2054 C CA . CYS B 10 ? 0.9002 0.6795 0.5934 -0.0155 0.0286 0.0362 511 CYS B CA 2055 C C . CYS B 10 ? 0.8896 0.6659 0.5876 -0.0044 0.0225 0.0378 511 CYS B C 2056 O O . CYS B 10 ? 0.9146 0.6726 0.5985 -0.0020 0.0172 0.0387 511 CYS B O 2057 C CB . CYS B 10 ? 0.9130 0.6813 0.5934 -0.0214 0.0279 0.0366 511 CYS B CB 2058 S SG . CYS B 10 ? 0.9156 0.6958 0.6105 -0.0156 0.0258 0.0377 511 CYS B SG 2059 N N . ASN B 11 ? 0.8612 0.6554 0.5789 0.0020 0.0233 0.0378 512 ASN B N 2060 C CA . ASN B 11 ? 0.8576 0.6527 0.5831 0.0119 0.0182 0.0388 512 ASN B CA 2061 C C . ASN B 11 ? 0.8594 0.6513 0.5835 0.0119 0.0150 0.0398 512 ASN B C 2062 O O . ASN B 11 ? 0.8363 0.6416 0.5712 0.0102 0.0177 0.0398 512 ASN B O 2063 C CB . ASN B 11 ? 0.8343 0.6495 0.5805 0.0174 0.0209 0.0385 512 ASN B CB 2064 C CG . ASN B 11 ? 0.8339 0.6514 0.5895 0.0273 0.0166 0.0389 512 ASN B CG 2065 O OD1 . ASN B 11 ? 0.8416 0.6467 0.5899 0.0309 0.0108 0.0392 512 ASN B OD1 2066 N ND2 . ASN B 11 ? 0.8294 0.6629 0.6014 0.0316 0.0193 0.0385 512 ASN B ND2 2067 N N . PRO B 12 ? 0.8813 0.6545 0.5912 0.0141 0.0087 0.0405 513 PRO B N 2068 C CA . PRO B 12 ? 0.8881 0.6554 0.5937 0.0134 0.0051 0.0414 513 PRO B CA 2069 C C . PRO B 12 ? 0.8771 0.6588 0.6017 0.0210 0.0026 0.0418 513 PRO B C 2070 O O . PRO B 12 ? 0.8696 0.6501 0.5935 0.0200 0.0005 0.0425 513 PRO B O 2071 C CB . PRO B 12 ? 0.9065 0.6488 0.5918 0.0151 -0.0019 0.0419 513 PRO B CB 2072 C CG . PRO B 12 ? 0.9018 0.6443 0.5918 0.0225 -0.0041 0.0411 513 PRO B CG 2073 C CD . PRO B 12 ? 0.8882 0.6451 0.5869 0.0188 0.0035 0.0404 513 PRO B CD 2074 N N . ASN B 13 ? 0.8694 0.6638 0.6100 0.0281 0.0029 0.0413 514 ASN B N 2075 C CA . ASN B 13 ? 0.8593 0.6681 0.6188 0.0348 0.0011 0.0414 514 ASN B CA 2076 C C . ASN B 13 ? 0.8239 0.6540 0.6002 0.0332 0.0076 0.0413 514 ASN B C 2077 O O . ASN B 13 ? 0.8116 0.6474 0.5898 0.0310 0.0126 0.0407 514 ASN B O 2078 C CB . ASN B 13 ? 0.8725 0.6802 0.6381 0.0440 -0.0033 0.0404 514 ASN B CB 2079 C CG . ASN B 13 ? 0.8994 0.6855 0.6488 0.0468 -0.0111 0.0402 514 ASN B CG 2080 O OD1 . ASN B 13 ? 0.9064 0.6850 0.6515 0.0475 -0.0164 0.0407 514 ASN B OD1 2081 N ND2 . ASN B 13 ? 0.9218 0.6964 0.6608 0.0484 -0.0124 0.0393 514 ASN B ND2 2082 N N . LEU B 14 ? 0.8087 0.6491 0.5964 0.0343 0.0071 0.0419 515 LEU B N 2083 C CA . LEU B 14 ? 0.7887 0.6481 0.5922 0.0335 0.0120 0.0419 515 LEU B CA 2084 C C . LEU B 14 ? 0.7723 0.6424 0.5924 0.0409 0.0099 0.0420 515 LEU B C 2085 O O . LEU B 14 ? 0.7537 0.6255 0.5792 0.0432 0.0061 0.0425 515 LEU B O 2086 C CB . LEU B 14 ? 0.7846 0.6471 0.5870 0.0279 0.0135 0.0423 515 LEU B CB 2087 C CG . LEU B 14 ? 0.7662 0.6469 0.5834 0.0269 0.0178 0.0421 515 LEU B CG 2088 C CD1 . LEU B 14 ? 0.7630 0.6502 0.5826 0.0249 0.0230 0.0411 515 LEU B CD1 2089 C CD2 . LEU B 14 ? 0.7698 0.6519 0.5843 0.0215 0.0189 0.0419 515 LEU B CD2 2090 N N . HIS B 15 ? 0.7712 0.6480 0.5988 0.0445 0.0124 0.0412 516 HIS B N 2091 C CA . HIS B 15 ? 0.7652 0.6546 0.6096 0.0504 0.0125 0.0408 516 HIS B CA 2092 C C . HIS B 15 ? 0.7514 0.6556 0.6061 0.0471 0.0175 0.0415 516 HIS B C 2093 O O . HIS B 15 ? 0.7499 0.6584 0.6044 0.0448 0.0223 0.0412 516 HIS B O 2094 C CB . HIS B 15 ? 0.7727 0.6615 0.6185 0.0550 0.0136 0.0395 516 HIS B CB 2095 C CG . HIS B 15 ? 0.7696 0.6703 0.6321 0.0611 0.0139 0.0384 516 HIS B CG 2096 N ND1 . HIS B 15 ? 0.7730 0.6781 0.6403 0.0647 0.0172 0.0370 516 HIS B ND1 2097 C CD2 . HIS B 15 ? 0.7624 0.6715 0.6377 0.0640 0.0115 0.0384 516 HIS B CD2 2098 C CE1 . HIS B 15 ? 0.7689 0.6851 0.6515 0.0692 0.0173 0.0359 516 HIS B CE1 2099 N NE2 . HIS B 15 ? 0.7685 0.6876 0.6566 0.0688 0.0138 0.0368 516 HIS B NE2 2100 N N . TYR B 16 ? 0.7340 0.6445 0.5964 0.0470 0.0158 0.0423 517 TYR B N 2101 C CA . TYR B 16 ? 0.7273 0.6488 0.5964 0.0434 0.0195 0.0429 517 TYR B CA 2102 C C . TYR B 16 ? 0.7081 0.6430 0.5932 0.0465 0.0207 0.0432 517 TYR B C 2103 O O . TYR B 16 ? 0.6986 0.6355 0.5914 0.0512 0.0181 0.0429 517 TYR B O 2104 C CB . TYR B 16 ? 0.7413 0.6593 0.6048 0.0392 0.0175 0.0436 517 TYR B CB 2105 C CG . TYR B 16 ? 0.7459 0.6625 0.6134 0.0420 0.0122 0.0443 517 TYR B CG 2106 C CD1 . TYR B 16 ? 0.7402 0.6679 0.6203 0.0429 0.0119 0.0449 517 TYR B CD1 2107 C CD2 . TYR B 16 ? 0.7633 0.6665 0.6212 0.0436 0.0068 0.0442 517 TYR B CD2 2108 C CE1 . TYR B 16 ? 0.7446 0.6711 0.6287 0.0454 0.0067 0.0454 517 TYR B CE1 2109 C CE2 . TYR B 16 ? 0.7657 0.6670 0.6272 0.0464 0.0011 0.0447 517 TYR B CE2 2110 C CZ . TYR B 16 ? 0.7526 0.6661 0.6276 0.0472 0.0012 0.0452 517 TYR B CZ 2111 O OH . TYR B 16 ? 0.7650 0.6766 0.6437 0.0498 -0.0046 0.0455 517 TYR B OH 2112 N N . TRP B 17 ? 0.6886 0.6323 0.5782 0.0436 0.0245 0.0436 518 TRP B N 2113 C CA . TRP B 17 ? 0.6889 0.6441 0.5916 0.0450 0.0258 0.0442 518 TRP B CA 2114 C C . TRP B 17 ? 0.6991 0.6583 0.6029 0.0414 0.0254 0.0450 518 TRP B C 2115 O O . TRP B 17 ? 0.7071 0.6631 0.6030 0.0376 0.0263 0.0445 518 TRP B O 2116 C CB . TRP B 17 ? 0.6811 0.6423 0.5877 0.0456 0.0307 0.0438 518 TRP B CB 2117 C CG . TRP B 17 ? 0.6698 0.6291 0.5685 0.0420 0.0338 0.0434 518 TRP B CG 2118 C CD1 . TRP B 17 ? 0.6732 0.6257 0.5630 0.0416 0.0352 0.0425 518 TRP B CD1 2119 C CD2 . TRP B 17 ? 0.6626 0.6268 0.5618 0.0385 0.0354 0.0436 518 TRP B CD2 2120 N NE1 . TRP B 17 ? 0.6712 0.6248 0.5568 0.0379 0.0376 0.0420 518 TRP B NE1 2121 C CE2 . TRP B 17 ? 0.6633 0.6241 0.5547 0.0362 0.0376 0.0424 518 TRP B CE2 2122 C CE3 . TRP B 17 ? 0.6645 0.6352 0.5700 0.0374 0.0347 0.0443 518 TRP B CE3 2123 C CZ2 . TRP B 17 ? 0.6690 0.6333 0.5595 0.0331 0.0388 0.0417 518 TRP B CZ2 2124 C CZ3 . TRP B 17 ? 0.6636 0.6371 0.5674 0.0344 0.0359 0.0437 518 TRP B CZ3 2125 C CH2 . TRP B 17 ? 0.6671 0.6378 0.5639 0.0325 0.0378 0.0423 518 TRP B CH2 2126 N N . THR B 18 ? 0.7145 0.6807 0.6283 0.0425 0.0241 0.0458 519 THR B N 2127 C CA . THR B 18 ? 0.7454 0.7158 0.6611 0.0396 0.0237 0.0464 519 THR B CA 2128 C C . THR B 18 ? 0.7892 0.7681 0.7168 0.0410 0.0233 0.0474 519 THR B C 2129 O O . THR B 18 ? 0.8028 0.7847 0.7376 0.0439 0.0235 0.0473 519 THR B O 2130 C CB . THR B 18 ? 0.7438 0.7076 0.6528 0.0380 0.0198 0.0465 519 THR B CB 2131 O OG1 . THR B 18 ? 0.7303 0.6980 0.6400 0.0352 0.0199 0.0466 519 THR B OG1 2132 C CG2 . THR B 18 ? 0.7444 0.7055 0.6573 0.0412 0.0149 0.0471 519 THR B CG2 2133 N N . THR B 19 ? 0.8469 0.8297 0.7765 0.0387 0.0230 0.0480 520 THR B N 2134 C CA . THR B 19 ? 0.9042 0.8936 0.8438 0.0391 0.0220 0.0491 520 THR B CA 2135 C C . THR B 19 ? 0.9910 0.9783 0.9321 0.0396 0.0168 0.0496 520 THR B C 2136 O O . THR B 19 ? 1.0027 0.9836 0.9358 0.0386 0.0146 0.0492 520 THR B O 2137 C CB . THR B 19 ? 0.8882 0.8815 0.8280 0.0365 0.0238 0.0496 520 THR B CB 2138 O OG1 . THR B 19 ? 0.8934 0.8840 0.8276 0.0347 0.0214 0.0491 520 THR B OG1 2139 C CG2 . THR B 19 ? 0.8814 0.8751 0.8175 0.0358 0.0282 0.0489 520 THR B CG2 2140 N N . GLN B 20 ? 1.1063 1.0988 1.0575 0.0407 0.0151 0.0503 521 GLN B N 2141 C CA . GLN B 20 ? 1.2001 1.1912 1.1537 0.0409 0.0098 0.0509 521 GLN B CA 2142 C C . GLN B 20 ? 1.2618 1.2573 1.2182 0.0383 0.0099 0.0519 521 GLN B C 2143 O O . GLN B 20 ? 1.2692 1.2707 1.2313 0.0373 0.0129 0.0524 521 GLN B O 2144 C CB . GLN B 20 ? 1.2268 1.2209 1.1906 0.0441 0.0070 0.0505 521 GLN B CB 2145 C CG . GLN B 20 ? 1.2485 1.2361 1.2103 0.0459 0.0003 0.0504 521 GLN B CG 2146 C CD . GLN B 20 ? 1.2718 1.2620 1.2438 0.0499 -0.0028 0.0492 521 GLN B CD 2147 O OE1 . GLN B 20 ? 1.2788 1.2782 1.2622 0.0508 0.0001 0.0484 521 GLN B OE1 2148 N NE2 . GLN B 20 ? 1.2893 1.2712 1.2570 0.0524 -0.0090 0.0486 521 GLN B NE2 2149 N N . ASP B 21 ? 1.3456 1.3371 1.2969 0.0371 0.0065 0.0522 522 ASP B N 2150 C CA . ASP B 21 ? 1.3978 1.3919 1.3499 0.0349 0.0058 0.0529 522 ASP B CA 2151 C C . ASP B 21 ? 1.4077 1.4061 1.3697 0.0349 0.0031 0.0541 522 ASP B C 2152 O O . ASP B 21 ? 1.3917 1.3927 1.3555 0.0330 0.0032 0.0549 522 ASP B O 2153 C CB . ASP B 21 ? 1.4383 1.4268 1.3816 0.0339 0.0034 0.0521 522 ASP B CB 2154 C CG . ASP B 21 ? 1.4541 1.4445 1.3946 0.0320 0.0046 0.0515 522 ASP B CG 2155 O OD1 . ASP B 21 ? 1.4716 1.4644 1.4111 0.0314 0.0084 0.0509 522 ASP B OD1 2156 O OD2 . ASP B 21 ? 1.4744 1.4633 1.4132 0.0314 0.0014 0.0514 522 ASP B OD2 2157 N N . GLU B 22 ? 1.4149 1.4138 1.3832 0.0371 0.0003 0.0540 523 GLU B N 2158 C CA . GLU B 22 ? 1.4297 1.4337 1.4091 0.0370 -0.0023 0.0547 523 GLU B CA 2159 C C . GLU B 22 ? 1.4303 1.4385 1.4192 0.0398 -0.0021 0.0536 523 GLU B C 2160 O O . GLU B 22 ? 1.4343 1.4412 1.4276 0.0421 -0.0073 0.0530 523 GLU B O 2161 C CB . GLU B 22 ? 1.4482 1.4475 1.4255 0.0370 -0.0087 0.0552 523 GLU B CB 2162 C CG . GLU B 22 ? 1.4682 1.4725 1.4561 0.0361 -0.0118 0.0560 523 GLU B CG 2163 C CD . GLU B 22 ? 1.4734 1.4726 1.4568 0.0350 -0.0171 0.0569 523 GLU B CD 2164 O OE1 . GLU B 22 ? 1.4424 1.4387 1.4175 0.0333 -0.0158 0.0572 523 GLU B OE1 2165 O OE2 . GLU B 22 ? 1.4707 1.4688 1.4588 0.0360 -0.0227 0.0570 523 GLU B OE2 2166 N N . GLY B 23 ? 1.4361 1.4489 1.4278 0.0398 0.0035 0.0529 524 GLY B N 2167 C CA . GLY B 23 ? 1.4734 1.4902 1.4732 0.0429 0.0046 0.0512 524 GLY B CA 2168 C C . GLY B 23 ? 1.4902 1.5169 1.5009 0.0417 0.0100 0.0505 524 GLY B C 2169 O O . GLY B 23 ? 1.5147 1.5428 1.5238 0.0422 0.0154 0.0497 524 GLY B O 2170 N N . ALA B 24 ? 1.4952 1.5283 1.5162 0.0397 0.0088 0.0508 525 ALA B N 2171 C CA . ALA B 24 ? 1.4865 1.5302 1.5207 0.0386 0.0134 0.0494 525 ALA B CA 2172 C C . ALA B 24 ? 1.4935 1.5427 1.5385 0.0361 0.0101 0.0497 525 ALA B C 2173 O O . ALA B 24 ? 1.4731 1.5266 1.5212 0.0315 0.0138 0.0506 525 ALA B O 2174 C CB . ALA B 24 ? 1.4504 1.4953 1.4797 0.0352 0.0212 0.0502 525 ALA B CB 2175 N N . ALA B 25 ? 1.4845 1.5328 1.5345 0.0391 0.0029 0.0488 526 ALA B N 2176 C CA . ALA B 25 ? 1.4576 1.5108 1.5184 0.0373 -0.0013 0.0487 526 ALA B CA 2177 C C . ALA B 25 ? 1.4112 1.4777 1.4903 0.0364 0.0019 0.0460 526 ALA B C 2178 O O . ALA B 25 ? 1.4223 1.4943 1.5111 0.0335 -0.0002 0.0459 526 ALA B O 2179 C CB . ALA B 25 ? 1.4531 1.4999 1.5128 0.0411 -0.0106 0.0483 526 ALA B CB 2180 N N . ILE B 26 ? 1.3396 1.4114 1.4233 0.0386 0.0073 0.0435 527 ILE B N 2181 C CA . ILE B 26 ? 1.2869 1.3723 1.3891 0.0385 0.0106 0.0399 527 ILE B CA 2182 C C . ILE B 26 ? 1.2044 1.2964 1.3096 0.0314 0.0187 0.0408 527 ILE B C 2183 O O . ILE B 26 ? 1.1767 1.2679 1.2750 0.0296 0.0263 0.0413 527 ILE B O 2184 C CB . ILE B 26 ? 1.3023 1.3908 1.4082 0.0439 0.0136 0.0364 527 ILE B CB 2185 C CG1 . ILE B 26 ? 1.3050 1.3848 1.4056 0.0508 0.0054 0.0356 527 ILE B CG1 2186 C CG2 . ILE B 26 ? 1.3000 1.4040 1.4268 0.0442 0.0169 0.0317 527 ILE B CG2 2187 C CD1 . ILE B 26 ? 1.3042 1.3807 1.3990 0.0553 0.0083 0.0338 527 ILE B CD1 2188 N N . GLY B 27 ? 1.1226 1.2198 1.2368 0.0272 0.0167 0.0411 528 GLY B N 2189 C CA . GLY B 27 ? 1.0668 1.1708 1.1858 0.0198 0.0240 0.0414 528 GLY B CA 2190 C C . GLY B 27 ? 1.0177 1.1119 1.1189 0.0149 0.0278 0.0456 528 GLY B C 2191 O O . GLY B 27 ? 1.0191 1.1039 1.1098 0.0141 0.0225 0.0487 528 GLY B O 2192 N N . LEU B 28 ? 0.9502 1.0461 1.0479 0.0120 0.0369 0.0453 529 LEU B N 2193 C CA . LEU B 28 ? 0.9022 0.9885 0.9830 0.0074 0.0408 0.0488 529 LEU B CA 2194 C C . LEU B 28 ? 0.8576 0.9347 0.9232 0.0113 0.0418 0.0499 529 LEU B C 2195 O O . LEU B 28 ? 0.8606 0.9299 0.9125 0.0082 0.0450 0.0522 529 LEU B O 2196 C CB . LEU B 28 ? 0.9085 1.0006 0.9927 0.0007 0.0503 0.0479 529 LEU B CB 2197 C CG . LEU B 28 ? 0.9079 1.0098 1.0068 -0.0050 0.0515 0.0466 529 LEU B CG 2198 C CD1 . LEU B 28 ? 0.9119 1.0203 1.0143 -0.0110 0.0625 0.0448 529 LEU B CD1 2199 C CD2 . LEU B 28 ? 0.8996 0.9935 0.9909 -0.0097 0.0462 0.0503 529 LEU B CD2 2200 N N . ALA B 29 ? 0.7976 0.8747 0.8649 0.0179 0.0387 0.0482 530 ALA B N 2201 C CA . ALA B 29 ? 0.7541 0.8236 0.8085 0.0213 0.0403 0.0487 530 ALA B CA 2202 C C . ALA B 29 ? 0.7375 0.7952 0.7754 0.0207 0.0366 0.0519 530 ALA B C 2203 O O . ALA B 29 ? 0.7328 0.7844 0.7592 0.0217 0.0392 0.0525 530 ALA B O 2204 C CB . ALA B 29 ? 0.7481 0.8192 0.8076 0.0282 0.0370 0.0461 530 ALA B CB 2205 N N . TRP B 30 ? 0.7107 0.7654 0.7478 0.0195 0.0305 0.0536 531 TRP B N 2206 C CA . TRP B 30 ? 0.6852 0.7299 0.7081 0.0189 0.0269 0.0560 531 TRP B CA 2207 C C . TRP B 30 ? 0.6787 0.7187 0.6920 0.0141 0.0307 0.0579 531 TRP B C 2208 O O . TRP B 30 ? 0.6799 0.7119 0.6807 0.0146 0.0295 0.0590 531 TRP B O 2209 C CB . TRP B 30 ? 0.6774 0.7200 0.7022 0.0192 0.0192 0.0570 531 TRP B CB 2210 C CG . TRP B 30 ? 0.6675 0.7146 0.7008 0.0148 0.0185 0.0576 531 TRP B CG 2211 C CD1 . TRP B 30 ? 0.6643 0.7204 0.7129 0.0146 0.0176 0.0559 531 TRP B CD1 2212 C CD2 . TRP B 30 ? 0.6672 0.7099 0.6941 0.0098 0.0184 0.0598 531 TRP B CD2 2213 N NE1 . TRP B 30 ? 0.6676 0.7256 0.7202 0.0092 0.0173 0.0570 531 TRP B NE1 2214 C CE2 . TRP B 30 ? 0.6690 0.7181 0.7075 0.0061 0.0178 0.0595 531 TRP B CE2 2215 C CE3 . TRP B 30 ? 0.6643 0.6979 0.6767 0.0082 0.0183 0.0616 531 TRP B CE3 2216 C CZ2 . TRP B 30 ? 0.6677 0.7134 0.7027 0.0004 0.0173 0.0615 531 TRP B CZ2 2217 C CZ3 . TRP B 30 ? 0.6649 0.6947 0.6736 0.0032 0.0173 0.0634 531 TRP B CZ3 2218 C CH2 . TRP B 30 ? 0.6700 0.7054 0.6894 -0.0008 0.0169 0.0635 531 TRP B CH2 2219 N N . ILE B 31 ? 0.6739 0.7186 0.6931 0.0094 0.0351 0.0579 532 ILE B N 2220 C CA . ILE B 31 ? 0.6723 0.7114 0.6815 0.0042 0.0391 0.0596 532 ILE B CA 2221 C C . ILE B 31 ? 0.6750 0.7109 0.6756 0.0054 0.0447 0.0590 532 ILE B C 2222 O O . ILE B 31 ? 0.6825 0.7249 0.6902 0.0067 0.0497 0.0570 532 ILE B O 2223 C CB . ILE B 31 ? 0.6767 0.7219 0.6944 -0.0018 0.0436 0.0594 532 ILE B CB 2224 C CG1 . ILE B 31 ? 0.6802 0.7278 0.7057 -0.0037 0.0377 0.0602 532 ILE B CG1 2225 C CG2 . ILE B 31 ? 0.6831 0.7206 0.6882 -0.0075 0.0485 0.0611 532 ILE B CG2 2226 C CD1 . ILE B 31 ? 0.6869 0.7446 0.7268 -0.0085 0.0415 0.0588 532 ILE B CD1 2227 N N . PRO B 32 ? 0.6738 0.6996 0.6594 0.0054 0.0434 0.0604 533 PRO B N 2228 C CA . PRO B 32 ? 0.6709 0.6927 0.6476 0.0067 0.0478 0.0598 533 PRO B CA 2229 C C . PRO B 32 ? 0.6779 0.7022 0.6555 0.0032 0.0562 0.0591 533 PRO B C 2230 O O . PRO B 32 ? 0.6670 0.6931 0.6446 0.0056 0.0605 0.0576 533 PRO B O 2231 C CB . PRO B 32 ? 0.6796 0.6904 0.6414 0.0059 0.0443 0.0613 533 PRO B CB 2232 C CG . PRO B 32 ? 0.6737 0.6838 0.6375 0.0071 0.0369 0.0620 533 PRO B CG 2233 C CD . PRO B 32 ? 0.6742 0.6920 0.6510 0.0049 0.0370 0.0621 533 PRO B CD 2234 N N . TYR B 33 ? 0.6880 0.7120 0.6658 -0.0027 0.0586 0.0602 534 TYR B N 2235 C CA . TYR B 33 ? 0.7030 0.7296 0.6818 -0.0072 0.0674 0.0594 534 TYR B CA 2236 C C . TYR B 33 ? 0.6943 0.7340 0.6891 -0.0047 0.0721 0.0563 534 TYR B C 2237 O O . TYR B 33 ? 0.7061 0.7473 0.6998 -0.0052 0.0793 0.0547 534 TYR B O 2238 C CB . TYR B 33 ? 0.7194 0.7443 0.6975 -0.0147 0.0688 0.0610 534 TYR B CB 2239 C CG . TYR B 33 ? 0.7376 0.7652 0.7164 -0.0206 0.0786 0.0600 534 TYR B CG 2240 C CD1 . TYR B 33 ? 0.7396 0.7809 0.7359 -0.0229 0.0832 0.0576 534 TYR B CD1 2241 C CD2 . TYR B 33 ? 0.7533 0.7697 0.7151 -0.0240 0.0832 0.0610 534 TYR B CD2 2242 C CE1 . TYR B 33 ? 0.7528 0.7976 0.7504 -0.0287 0.0930 0.0561 534 TYR B CE1 2243 C CE2 . TYR B 33 ? 0.7636 0.7818 0.7250 -0.0299 0.0929 0.0600 534 TYR B CE2 2244 C CZ . TYR B 33 ? 0.7662 0.7991 0.7458 -0.0324 0.0982 0.0574 534 TYR B CZ 2245 O OH . TYR B 33 ? 0.7818 0.8177 0.7618 -0.0386 0.1085 0.0558 534 TYR B OH 2246 N N . PHE B 34 ? 0.6709 0.7191 0.6799 -0.0018 0.0675 0.0551 535 PHE B N 2247 C CA . PHE B 34 ? 0.6633 0.7240 0.6886 0.0012 0.0704 0.0517 535 PHE B CA 2248 C C . PHE B 34 ? 0.6679 0.7286 0.6940 0.0090 0.0669 0.0502 535 PHE B C 2249 O O . PHE B 34 ? 0.6789 0.7468 0.7138 0.0121 0.0703 0.0472 535 PHE B O 2250 C CB . PHE B 34 ? 0.6469 0.7171 0.6883 -0.0002 0.0673 0.0507 535 PHE B CB 2251 C CG . PHE B 34 ? 0.6417 0.7147 0.6858 -0.0084 0.0724 0.0511 535 PHE B CG 2252 C CD1 . PHE B 34 ? 0.6389 0.7194 0.6893 -0.0117 0.0819 0.0484 535 PHE B CD1 2253 C CD2 . PHE B 34 ? 0.6394 0.7071 0.6793 -0.0130 0.0681 0.0539 535 PHE B CD2 2254 C CE1 . PHE B 34 ? 0.6457 0.7286 0.6981 -0.0201 0.0874 0.0486 535 PHE B CE1 2255 C CE2 . PHE B 34 ? 0.6485 0.7178 0.6898 -0.0212 0.0729 0.0543 535 PHE B CE2 2256 C CZ . PHE B 34 ? 0.6484 0.7254 0.6960 -0.0251 0.0828 0.0517 535 PHE B CZ 2257 N N . GLY B 35 ? 0.6743 0.7267 0.6909 0.0118 0.0603 0.0522 536 GLY B N 2258 C CA . GLY B 35 ? 0.6682 0.7197 0.6850 0.0182 0.0562 0.0511 536 GLY B CA 2259 C C . GLY B 35 ? 0.6727 0.7209 0.6821 0.0211 0.0604 0.0499 536 GLY B C 2260 O O . GLY B 35 ? 0.6818 0.7290 0.6866 0.0183 0.0670 0.0497 536 GLY B O 2261 N N . PRO B 36 ? 0.6762 0.7217 0.6835 0.0263 0.0565 0.0492 537 PRO B N 2262 C CA . PRO B 36 ? 0.6840 0.7259 0.6844 0.0291 0.0599 0.0480 537 PRO B CA 2263 C C . PRO B 36 ? 0.6941 0.7269 0.6790 0.0267 0.0616 0.0499 537 PRO B C 2264 O O . PRO B 36 ? 0.6728 0.7009 0.6515 0.0244 0.0580 0.0519 537 PRO B O 2265 C CB . PRO B 36 ? 0.6797 0.7192 0.6801 0.0343 0.0540 0.0473 537 PRO B CB 2266 C CG . PRO B 36 ? 0.6715 0.7098 0.6730 0.0334 0.0474 0.0489 537 PRO B CG 2267 C CD . PRO B 36 ? 0.6726 0.7172 0.6829 0.0295 0.0488 0.0494 537 PRO B CD 2268 N N . ALA B 37 ? 0.7159 0.7462 0.6949 0.0275 0.0666 0.0488 538 ALA B N 2269 C CA . ALA B 37 ? 0.7383 0.7592 0.7023 0.0263 0.0673 0.0500 538 ALA B CA 2270 C C . ALA B 37 ? 0.7567 0.7728 0.7151 0.0297 0.0619 0.0500 538 ALA B C 2271 O O . ALA B 37 ? 0.7677 0.7865 0.7323 0.0329 0.0587 0.0491 538 ALA B O 2272 C CB . ALA B 37 ? 0.7414 0.7609 0.7009 0.0263 0.0743 0.0487 538 ALA B CB 2273 N N . ALA B 38 ? 0.7678 0.7762 0.7141 0.0287 0.0610 0.0508 539 ALA B N 2274 C CA . ALA B 38 ? 0.7768 0.7807 0.7170 0.0310 0.0568 0.0504 539 ALA B CA 2275 C C . ALA B 38 ? 0.7872 0.7919 0.7300 0.0348 0.0569 0.0488 539 ALA B C 2276 O O . ALA B 38 ? 0.7953 0.7984 0.7373 0.0363 0.0526 0.0486 539 ALA B O 2277 C CB . ALA B 38 ? 0.7795 0.7761 0.7076 0.0298 0.0573 0.0505 539 ALA B CB 2278 N N . GLU B 39 ? 0.8022 0.8090 0.7476 0.0362 0.0617 0.0475 540 GLU B N 2279 C CA . GLU B 39 ? 0.8171 0.8231 0.7634 0.0402 0.0616 0.0458 540 GLU B CA 2280 C C . GLU B 39 ? 0.7895 0.8004 0.7464 0.0430 0.0581 0.0449 540 GLU B C 2281 O O . GLU B 39 ? 0.7893 0.7971 0.7448 0.0463 0.0558 0.0438 540 GLU B O 2282 C CB . GLU B 39 ? 0.8580 0.8643 0.8033 0.0413 0.0679 0.0442 540 GLU B CB 2283 C CG . GLU B 39 ? 0.9084 0.9076 0.8411 0.0394 0.0708 0.0447 540 GLU B CG 2284 C CD . GLU B 39 ? 0.9580 0.9565 0.8875 0.0351 0.0732 0.0462 540 GLU B CD 2285 O OE1 . GLU B 39 ? 1.0029 0.9943 0.9213 0.0333 0.0724 0.0470 540 GLU B OE1 2286 O OE2 . GLU B 39 ? 0.9956 1.0001 0.9331 0.0332 0.0757 0.0464 540 GLU B OE2 2287 N N . GLY B 40 ? 0.7556 0.7730 0.7222 0.0416 0.0574 0.0454 541 GLY B N 2288 C CA . GLY B 40 ? 0.7344 0.7572 0.7124 0.0444 0.0540 0.0443 541 GLY B CA 2289 C C . GLY B 40 ? 0.7194 0.7420 0.6996 0.0434 0.0478 0.0458 541 GLY B C 2290 O O . GLY B 40 ? 0.7189 0.7474 0.7100 0.0440 0.0457 0.0453 541 GLY B O 2291 N N . ILE B 41 ? 0.7076 0.7236 0.6777 0.0419 0.0449 0.0473 542 ILE B N 2292 C CA . ILE B 41 ? 0.6898 0.7046 0.6602 0.0410 0.0393 0.0485 542 ILE B CA 2293 C C . ILE B 41 ? 0.6955 0.7040 0.6605 0.0434 0.0348 0.0480 542 ILE B C 2294 O O . ILE B 41 ? 0.7059 0.7121 0.6693 0.0426 0.0303 0.0488 542 ILE B O 2295 C CB . ILE B 41 ? 0.6874 0.6996 0.6508 0.0373 0.0390 0.0501 542 ILE B CB 2296 C CG1 . ILE B 41 ? 0.6922 0.6980 0.6440 0.0370 0.0398 0.0498 542 ILE B CG1 2297 C CG2 . ILE B 41 ? 0.6831 0.6991 0.6495 0.0344 0.0429 0.0509 542 ILE B CG2 2298 C CD1 . ILE B 41 ? 0.6902 0.6936 0.6359 0.0344 0.0380 0.0505 542 ILE B CD1 2299 N N . TYR B 42 ? 0.7019 0.7069 0.6631 0.0459 0.0361 0.0466 543 TYR B N 2300 C CA . TYR B 42 ? 0.7000 0.6968 0.6530 0.0473 0.0324 0.0462 543 TYR B CA 2301 C C . TYR B 42 ? 0.7175 0.7133 0.6758 0.0512 0.0279 0.0451 543 TYR B C 2302 O O . TYR B 42 ? 0.7138 0.7151 0.6818 0.0540 0.0289 0.0437 543 TYR B O 2303 C CB . TYR B 42 ? 0.6993 0.6909 0.6433 0.0477 0.0354 0.0454 543 TYR B CB 2304 C CG . TYR B 42 ? 0.6905 0.6824 0.6290 0.0444 0.0391 0.0460 543 TYR B CG 2305 C CD1 . TYR B 42 ? 0.6810 0.6699 0.6127 0.0415 0.0374 0.0466 543 TYR B CD1 2306 C CD2 . TYR B 42 ? 0.6893 0.6844 0.6294 0.0443 0.0440 0.0458 543 TYR B CD2 2307 C CE1 . TYR B 42 ? 0.6813 0.6704 0.6086 0.0391 0.0398 0.0466 543 TYR B CE1 2308 C CE2 . TYR B 42 ? 0.6873 0.6813 0.6215 0.0416 0.0464 0.0463 543 TYR B CE2 2309 C CZ . TYR B 42 ? 0.6832 0.6743 0.6113 0.0392 0.0439 0.0467 543 TYR B CZ 2310 O OH . TYR B 42 ? 0.6832 0.6732 0.6061 0.0371 0.0456 0.0467 543 TYR B OH 2311 N N . ILE B 43 ? 0.7484 0.7369 0.7002 0.0511 0.0230 0.0456 544 ILE B N 2312 C CA . ILE B 43 ? 0.7701 0.7536 0.7224 0.0550 0.0178 0.0444 544 ILE B CA 2313 C C . ILE B 43 ? 0.7739 0.7464 0.7128 0.0554 0.0175 0.0439 544 ILE B C 2314 O O . ILE B 43 ? 0.7634 0.7326 0.6930 0.0519 0.0202 0.0446 544 ILE B O 2315 C CB . ILE B 43 ? 0.7829 0.7641 0.7362 0.0546 0.0118 0.0453 544 ILE B CB 2316 C CG1 . ILE B 43 ? 0.8061 0.7797 0.7466 0.0507 0.0108 0.0466 544 ILE B CG1 2317 C CG2 . ILE B 43 ? 0.7739 0.7658 0.7402 0.0536 0.0122 0.0459 544 ILE B CG2 2318 C CD1 . ILE B 43 ? 0.8300 0.7994 0.7693 0.0504 0.0049 0.0473 544 ILE B CD1 2319 N N . GLU B 44 ? 0.7895 0.7565 0.7276 0.0598 0.0140 0.0424 545 GLU B N 2320 C CA . GLU B 44 ? 0.8074 0.7622 0.7317 0.0602 0.0130 0.0419 545 GLU B CA 2321 C C . GLU B 44 ? 0.8065 0.7500 0.7236 0.0618 0.0058 0.0418 545 GLU B C 2322 O O . GLU B 44 ? 0.8042 0.7500 0.7293 0.0645 0.0010 0.0414 545 GLU B O 2323 C CB . GLU B 44 ? 0.8285 0.7837 0.7545 0.0641 0.0155 0.0399 545 GLU B CB 2324 C CG . GLU B 44 ? 0.8477 0.8056 0.7842 0.0705 0.0118 0.0375 545 GLU B CG 2325 C CD . GLU B 44 ? 0.8840 0.8381 0.8178 0.0746 0.0132 0.0353 545 GLU B CD 2326 O OE1 . GLU B 44 ? 0.8985 0.8394 0.8178 0.0746 0.0111 0.0354 545 GLU B OE1 2327 O OE2 . GLU B 44 ? 0.9178 0.8817 0.8634 0.0777 0.0166 0.0332 545 GLU B OE2 2328 N N . GLY B 45 ? 0.8096 0.7403 0.7109 0.0597 0.0049 0.0421 546 GLY B N 2329 C CA . GLY B 45 ? 0.8134 0.7299 0.7040 0.0611 -0.0017 0.0419 546 GLY B CA 2330 C C . GLY B 45 ? 0.8238 0.7266 0.6978 0.0596 -0.0013 0.0416 546 GLY B C 2331 O O . GLY B 45 ? 0.8104 0.7154 0.6811 0.0566 0.0043 0.0417 546 GLY B O 2332 N N . LEU B 46 ? 0.8576 0.7455 0.7206 0.0616 -0.0077 0.0412 547 LEU B N 2333 C CA . LEU B 46 ? 0.8869 0.7588 0.7319 0.0599 -0.0084 0.0411 547 LEU B CA 2334 C C . LEU B 46 ? 0.9122 0.7695 0.7415 0.0558 -0.0124 0.0422 547 LEU B C 2335 O O . LEU B 46 ? 0.9321 0.7859 0.7629 0.0584 -0.0185 0.0423 547 LEU B O 2336 C CB . LEU B 46 ? 0.9016 0.7667 0.7464 0.0670 -0.0131 0.0390 547 LEU B CB 2337 C CG . LEU B 46 ? 0.9196 0.7666 0.7452 0.0661 -0.0146 0.0387 547 LEU B CG 2338 C CD1 . LEU B 46 ? 0.9124 0.7625 0.7336 0.0609 -0.0068 0.0392 547 LEU B CD1 2339 C CD2 . LEU B 46 ? 0.9367 0.7786 0.7648 0.0745 -0.0200 0.0362 547 LEU B CD2 2340 N N . MET B 47 ? 0.9429 0.7915 0.7571 0.0493 -0.0090 0.0428 548 MET B N 2341 C CA . MET B 47 ? 0.9600 0.7945 0.7575 0.0440 -0.0111 0.0437 548 MET B CA 2342 C C . MET B 47 ? 0.9522 0.7690 0.7297 0.0405 -0.0112 0.0435 548 MET B C 2343 O O . MET B 47 ? 0.9458 0.7656 0.7214 0.0373 -0.0056 0.0431 548 MET B O 2344 C CB . MET B 47 ? 0.9883 0.8332 0.7892 0.0376 -0.0053 0.0444 548 MET B CB 2345 C CG . MET B 47 ? 1.0376 0.8714 0.8248 0.0323 -0.0069 0.0450 548 MET B CG 2346 S SD . MET B 47 ? 1.1110 0.9595 0.9122 0.0319 -0.0062 0.0456 548 MET B SD 2347 C CE . MET B 47 ? 1.0820 0.9508 0.8973 0.0295 0.0023 0.0449 548 MET B CE 2348 N N . HIS B 48 ? 0.9523 0.7497 0.7140 0.0411 -0.0179 0.0437 549 HIS B N 2349 C CA . HIS B 48 ? 0.9517 0.7290 0.6917 0.0379 -0.0190 0.0437 549 HIS B CA 2350 C C . HIS B 48 ? 0.9329 0.7008 0.6561 0.0278 -0.0153 0.0444 549 HIS B C 2351 O O . HIS B 48 ? 0.9100 0.6861 0.6381 0.0245 -0.0128 0.0449 549 HIS B O 2352 C CB . HIS B 48 ? 0.9760 0.7358 0.7070 0.0445 -0.0290 0.0432 549 HIS B CB 2353 C CG . HIS B 48 ? 0.9821 0.7527 0.7313 0.0545 -0.0324 0.0416 549 HIS B CG 2354 N ND1 . HIS B 48 ? 0.9899 0.7643 0.7435 0.0578 -0.0301 0.0403 549 HIS B ND1 2355 C CD2 . HIS B 48 ? 0.9868 0.7656 0.7514 0.0617 -0.0377 0.0407 549 HIS B CD2 2356 C CE1 . HIS B 48 ? 0.9865 0.7713 0.7574 0.0666 -0.0334 0.0386 549 HIS B CE1 2357 N NE2 . HIS B 48 ? 0.9874 0.7755 0.7657 0.0689 -0.0380 0.0387 549 HIS B NE2 2358 N N . ASN B 49 ? 0.9428 0.6934 0.6460 0.0229 -0.0148 0.0444 550 ASN B N 2359 C CA . ASN B 49 ? 0.9354 0.6790 0.6233 0.0120 -0.0092 0.0445 550 ASN B CA 2360 C C . ASN B 49 ? 0.9691 0.6924 0.6369 0.0084 -0.0137 0.0453 550 ASN B C 2361 O O . ASN B 49 ? 0.9855 0.6922 0.6322 0.0003 -0.0117 0.0454 550 ASN B O 2362 C CB . ASN B 49 ? 0.9321 0.6674 0.6081 0.0075 -0.0057 0.0439 550 ASN B CB 2363 C CG . ASN B 49 ? 0.9199 0.6580 0.5893 -0.0036 0.0026 0.0431 550 ASN B CG 2364 O OD1 . ASN B 49 ? 0.8932 0.6479 0.5747 -0.0065 0.0079 0.0424 550 ASN B OD1 2365 N ND2 . ASN B 49 ? 0.9351 0.6569 0.5852 -0.0100 0.0040 0.0428 550 ASN B ND2 2366 N N . GLN B 50 ? 0.9868 0.7107 0.6606 0.0137 -0.0197 0.0459 551 GLN B N 2367 C CA . GLN B 50 ? 1.0146 0.7211 0.6706 0.0100 -0.0234 0.0467 551 GLN B CA 2368 C C . GLN B 50 ? 0.9937 0.7049 0.6445 -0.0004 -0.0146 0.0463 551 GLN B C 2369 O O . GLN B 50 ? 0.9725 0.7058 0.6413 -0.0016 -0.0080 0.0455 551 GLN B O 2370 C CB . GLN B 50 ? 1.0445 0.7552 0.7117 0.0174 -0.0306 0.0472 551 GLN B CB 2371 C CG . GLN B 50 ? 1.1050 0.7955 0.7612 0.0243 -0.0422 0.0475 551 GLN B CG 2372 C CD . GLN B 50 ? 1.1594 0.8195 0.7838 0.0183 -0.0460 0.0483 551 GLN B CD 2373 O OE1 . GLN B 50 ? 1.2157 0.8557 0.8244 0.0207 -0.0523 0.0482 551 GLN B OE1 2374 N NE2 . GLN B 50 ? 1.1578 0.8139 0.7720 0.0106 -0.0423 0.0489 551 GLN B NE2 2375 N N . ASP B 51 ? 1.0070 0.6969 0.6327 -0.0081 -0.0144 0.0466 552 ASP B N 2376 C CA . ASP B 51 ? 1.0014 0.6932 0.6194 -0.0189 -0.0058 0.0455 552 ASP B CA 2377 C C . ASP B 51 ? 0.9712 0.6790 0.5982 -0.0246 0.0038 0.0437 552 ASP B C 2378 O O . ASP B 51 ? 0.9575 0.6765 0.5883 -0.0315 0.0116 0.0420 552 ASP B O 2379 C CB . ASP B 51 ? 0.9993 0.7025 0.6279 -0.0180 -0.0054 0.0454 552 ASP B CB 2380 C CG . ASP B 51 ? 1.0326 0.7173 0.6488 -0.0140 -0.0149 0.0470 552 ASP B CG 2381 O OD1 . ASP B 51 ? 1.0527 0.7485 0.6841 -0.0080 -0.0184 0.0474 552 ASP B OD1 2382 O OD2 . ASP B 51 ? 1.0496 0.7082 0.6407 -0.0170 -0.0192 0.0477 552 ASP B OD2 2383 N N . GLY B 52 ? 0.9597 0.6679 0.5897 -0.0214 0.0030 0.0438 553 GLY B N 2384 C CA . GLY B 52 ? 0.9442 0.6669 0.5835 -0.0254 0.0107 0.0422 553 GLY B CA 2385 C C . GLY B 52 ? 0.9133 0.6640 0.5778 -0.0237 0.0161 0.0409 553 GLY B C 2386 O O . GLY B 52 ? 0.9057 0.6680 0.5758 -0.0292 0.0233 0.0389 553 GLY B O 2387 N N . LEU B 53 ? 0.8980 0.6592 0.5778 -0.0161 0.0121 0.0418 554 LEU B N 2388 C CA . LEU B 53 ? 0.8668 0.6519 0.5679 -0.0149 0.0165 0.0407 554 LEU B CA 2389 C C . LEU B 53 ? 0.8378 0.6403 0.5564 -0.0115 0.0195 0.0400 554 LEU B C 2390 O O . LEU B 53 ? 0.8238 0.6429 0.5541 -0.0142 0.0251 0.0383 554 LEU B O 2391 C CB . LEU B 53 ? 0.8588 0.6483 0.5696 -0.0082 0.0110 0.0421 554 LEU B CB 2392 C CG . LEU B 53 ? 0.8771 0.6510 0.5720 -0.0113 0.0079 0.0427 554 LEU B CG 2393 C CD1 . LEU B 53 ? 0.8705 0.6488 0.5764 -0.0035 0.0013 0.0441 554 LEU B CD1 2394 C CD2 . LEU B 53 ? 0.8826 0.6600 0.5721 -0.0204 0.0153 0.0406 554 LEU B CD2 2395 N N . ILE B 54 ? 0.8298 0.6279 0.5494 -0.0056 0.0157 0.0411 555 ILE B N 2396 C CA . ILE B 54 ? 0.8166 0.6290 0.5506 -0.0025 0.0185 0.0405 555 ILE B CA 2397 C C . ILE B 54 ? 0.8309 0.6427 0.5577 -0.0103 0.0246 0.0387 555 ILE B C 2398 O O . ILE B 54 ? 0.8258 0.6537 0.5649 -0.0119 0.0295 0.0371 555 ILE B O 2399 C CB . ILE B 54 ? 0.8145 0.6220 0.5509 0.0057 0.0132 0.0416 555 ILE B CB 2400 C CG1 . ILE B 54 ? 0.8116 0.6208 0.5568 0.0135 0.0069 0.0428 555 ILE B CG1 2401 C CG2 . ILE B 54 ? 0.7999 0.6214 0.5495 0.0082 0.0169 0.0408 555 ILE B CG2 2402 C CD1 . ILE B 54 ? 0.7936 0.6223 0.5577 0.0154 0.0089 0.0429 555 ILE B CD1 2403 N N . CYS B 55 ? 0.8619 0.6546 0.5686 -0.0153 0.0239 0.0387 556 CYS B N 2404 C CA . CYS B 55 ? 0.8718 0.6632 0.5709 -0.0238 0.0297 0.0368 556 CYS B CA 2405 C C . CYS B 55 ? 0.8561 0.6585 0.5589 -0.0316 0.0363 0.0343 556 CYS B C 2406 O O . CYS B 55 ? 0.8549 0.6681 0.5637 -0.0361 0.0417 0.0319 556 CYS B O 2407 C CB . CYS B 55 ? 0.9119 0.6788 0.5868 -0.0283 0.0276 0.0375 556 CYS B CB 2408 S SG . CYS B 55 ? 0.9558 0.7114 0.6270 -0.0198 0.0211 0.0391 556 CYS B SG 2409 N N . GLY B 56 ? 0.8449 0.6454 0.5449 -0.0328 0.0356 0.0346 557 GLY B N 2410 C CA . GLY B 56 ? 0.8315 0.6442 0.5373 -0.0387 0.0414 0.0318 557 GLY B CA 2411 C C . GLY B 56 ? 0.8036 0.6401 0.5330 -0.0341 0.0433 0.0305 557 GLY B C 2412 O O . GLY B 56 ? 0.8009 0.6501 0.5376 -0.0388 0.0489 0.0272 557 GLY B O 2413 N N . LEU B 57 ? 0.7839 0.6260 0.5248 -0.0250 0.0384 0.0328 558 LEU B N 2414 C CA . LEU B 57 ? 0.7560 0.6182 0.5176 -0.0202 0.0394 0.0322 558 LEU B CA 2415 C C . LEU B 57 ? 0.7477 0.6192 0.5164 -0.0211 0.0429 0.0304 558 LEU B C 2416 O O . LEU B 57 ? 0.7413 0.6280 0.5217 -0.0223 0.0462 0.0279 558 LEU B O 2417 C CB . LEU B 57 ? 0.7483 0.6125 0.5192 -0.0108 0.0337 0.0351 558 LEU B CB 2418 C CG . LEU B 57 ? 0.7314 0.6143 0.5221 -0.0057 0.0341 0.0350 558 LEU B CG 2419 C CD1 . LEU B 57 ? 0.7253 0.6177 0.5221 -0.0079 0.0359 0.0334 558 LEU B CD1 2420 C CD2 . LEU B 57 ? 0.7322 0.6156 0.5306 0.0025 0.0291 0.0377 558 LEU B CD2 2421 N N . ARG B 58 ? 0.7521 0.6137 0.5130 -0.0204 0.0416 0.0315 559 ARG B N 2422 C CA . ARG B 58 ? 0.7406 0.6086 0.5061 -0.0214 0.0444 0.0299 559 ARG B CA 2423 C C . ARG B 58 ? 0.7392 0.6122 0.5028 -0.0304 0.0500 0.0261 559 ARG B C 2424 O O . ARG B 58 ? 0.7162 0.6034 0.4917 -0.0307 0.0526 0.0236 559 ARG B O 2425 C CB . ARG B 58 ? 0.7506 0.6042 0.5050 -0.0199 0.0419 0.0316 559 ARG B CB 2426 C CG . ARG B 58 ? 0.7472 0.5994 0.5072 -0.0103 0.0369 0.0343 559 ARG B CG 2427 C CD . ARG B 58 ? 0.7605 0.6013 0.5123 -0.0077 0.0348 0.0352 559 ARG B CD 2428 N NE . ARG B 58 ? 0.7586 0.5974 0.5152 0.0013 0.0298 0.0372 559 ARG B NE 2429 C CZ . ARG B 58 ? 0.7386 0.5909 0.5113 0.0078 0.0297 0.0376 559 ARG B CZ 2430 N NH1 . ARG B 58 ? 0.7363 0.5865 0.5132 0.0153 0.0253 0.0390 559 ARG B NH1 2431 N NH2 . ARG B 58 ? 0.7220 0.5894 0.5065 0.0068 0.0336 0.0365 559 ARG B NH2 2432 N N . GLN B 59 ? 0.7544 0.6156 0.5030 -0.0378 0.0518 0.0253 560 GLN B N 2433 C CA . GLN B 59 ? 0.7544 0.6205 0.5009 -0.0472 0.0578 0.0211 560 GLN B CA 2434 C C . GLN B 59 ? 0.7365 0.6200 0.4973 -0.0474 0.0605 0.0182 560 GLN B C 2435 O O . GLN B 59 ? 0.7263 0.6227 0.4958 -0.0512 0.0645 0.0140 560 GLN B O 2436 C CB . GLN B 59 ? 0.7784 0.6263 0.5039 -0.0554 0.0594 0.0211 560 GLN B CB 2437 C CG . GLN B 59 ? 0.7845 0.6362 0.5064 -0.0665 0.0665 0.0164 560 GLN B CG 2438 C CD . GLN B 59 ? 0.7855 0.6418 0.5107 -0.0694 0.0687 0.0143 560 GLN B CD 2439 O OE1 . GLN B 59 ? 0.7820 0.6297 0.5026 -0.0657 0.0652 0.0169 560 GLN B OE1 2440 N NE2 . GLN B 59 ? 0.7778 0.6481 0.5115 -0.0759 0.0743 0.0092 560 GLN B NE2 2441 N N . LEU B 60 ? 0.7370 0.6205 0.5000 -0.0432 0.0578 0.0200 561 LEU B N 2442 C CA . LEU B 60 ? 0.7279 0.6267 0.5037 -0.0424 0.0595 0.0174 561 LEU B CA 2443 C C . LEU B 60 ? 0.7174 0.6338 0.5119 -0.0372 0.0590 0.0160 561 LEU B C 2444 O O . LEU B 60 ? 0.7119 0.6418 0.5159 -0.0398 0.0623 0.0116 561 LEU B O 2445 C CB . LEU B 60 ? 0.7238 0.6182 0.4984 -0.0379 0.0556 0.0203 561 LEU B CB 2446 C CG . LEU B 60 ? 0.7094 0.6185 0.4974 -0.0356 0.0561 0.0183 561 LEU B CG 2447 C CD1 . LEU B 60 ? 0.7088 0.6241 0.4956 -0.0435 0.0622 0.0130 561 LEU B CD1 2448 C CD2 . LEU B 60 ? 0.7136 0.6163 0.4992 -0.0309 0.0515 0.0216 561 LEU B CD2 2449 N N . ALA B 61 ? 0.7212 0.6369 0.5204 -0.0300 0.0550 0.0194 562 ALA B N 2450 C CA . ALA B 61 ? 0.7140 0.6436 0.5283 -0.0251 0.0543 0.0186 562 ALA B CA 2451 C C . ALA B 61 ? 0.7165 0.6519 0.5329 -0.0296 0.0576 0.0147 562 ALA B C 2452 O O . ALA B 61 ? 0.6992 0.6481 0.5276 -0.0288 0.0583 0.0116 562 ALA B O 2453 C CB . ALA B 61 ? 0.7030 0.6289 0.5197 -0.0175 0.0502 0.0228 562 ALA B CB 2454 N N . ASN B 62 ? 0.7443 0.6686 0.5486 -0.0345 0.0590 0.0149 563 ASN B N 2455 C CA . ASN B 62 ? 0.7741 0.7024 0.5789 -0.0400 0.0622 0.0111 563 ASN B CA 2456 C C . ASN B 62 ? 0.7731 0.7130 0.5839 -0.0463 0.0665 0.0054 563 ASN B C 2457 O O . ASN B 62 ? 0.7528 0.7060 0.5754 -0.0463 0.0673 0.0014 563 ASN B O 2458 C CB . ASN B 62 ? 0.8103 0.7221 0.5984 -0.0451 0.0630 0.0124 563 ASN B CB 2459 C CG . ASN B 62 ? 0.8395 0.7542 0.6263 -0.0528 0.0669 0.0081 563 ASN B CG 2460 O OD1 . ASN B 62 ? 0.8394 0.7557 0.6228 -0.0610 0.0713 0.0045 563 ASN B OD1 2461 N ND2 . ASN B 62 ? 0.8782 0.7936 0.6675 -0.0506 0.0655 0.0082 563 ASN B ND2 2462 N N . GLU B 63 ? 0.7824 0.7167 0.5847 -0.0513 0.0690 0.0049 564 GLU B N 2463 C CA . GLU B 63 ? 0.7738 0.7182 0.5803 -0.0580 0.0740 -0.0008 564 GLU B CA 2464 C C . GLU B 63 ? 0.7460 0.7068 0.5689 -0.0530 0.0730 -0.0034 564 GLU B C 2465 O O . GLU B 63 ? 0.7419 0.7149 0.5727 -0.0570 0.0765 -0.0094 564 GLU B O 2466 C CB . GLU B 63 ? 0.8020 0.7340 0.5932 -0.0644 0.0769 -0.0003 564 GLU B CB 2467 C CG . GLU B 63 ? 0.8367 0.7526 0.6101 -0.0722 0.0792 0.0005 564 GLU B CG 2468 C CD . GLU B 63 ? 0.8716 0.7739 0.6280 -0.0791 0.0821 0.0008 564 GLU B CD 2469 O OE1 . GLU B 63 ? 0.8842 0.7922 0.6442 -0.0790 0.0835 -0.0007 564 GLU B OE1 2470 O OE2 . GLU B 63 ? 0.8876 0.7725 0.6261 -0.0848 0.0828 0.0026 564 GLU B OE2 2471 N N . THR B 64 ? 0.7243 0.6850 0.5519 -0.0445 0.0681 0.0006 565 THR B N 2472 C CA . THR B 64 ? 0.6983 0.6725 0.5401 -0.0391 0.0661 -0.0010 565 THR B CA 2473 C C . THR B 64 ? 0.6755 0.6629 0.5309 -0.0362 0.0650 -0.0044 565 THR B C 2474 O O . THR B 64 ? 0.6640 0.6640 0.5310 -0.0340 0.0644 -0.0082 565 THR B O 2475 C CB . THR B 64 ? 0.6931 0.6619 0.5348 -0.0314 0.0612 0.0047 565 THR B CB 2476 O OG1 . THR B 64 ? 0.7111 0.6683 0.5408 -0.0339 0.0617 0.0070 565 THR B OG1 2477 C CG2 . THR B 64 ? 0.6848 0.6657 0.5398 -0.0258 0.0587 0.0034 565 THR B CG2 2478 N N . THR B 65 ? 0.6666 0.6502 0.5197 -0.0362 0.0643 -0.0032 566 THR B N 2479 C CA . THR B 65 ? 0.6584 0.6511 0.5222 -0.0323 0.0618 -0.0050 566 THR B CA 2480 C C . THR B 65 ? 0.6553 0.6626 0.5302 -0.0352 0.0635 -0.0125 566 THR B C 2481 O O . THR B 65 ? 0.6426 0.6596 0.5287 -0.0300 0.0603 -0.0145 566 THR B O 2482 C CB . THR B 65 ? 0.6646 0.6490 0.5217 -0.0329 0.0614 -0.0028 566 THR B CB 2483 O OG1 . THR B 65 ? 0.6648 0.6354 0.5114 -0.0304 0.0600 0.0033 566 THR B OG1 2484 C CG2 . THR B 65 ? 0.6598 0.6506 0.5259 -0.0274 0.0579 -0.0033 566 THR B CG2 2485 N N . GLN B 66 ? 0.6745 0.6834 0.5463 -0.0435 0.0685 -0.0169 567 GLN B N 2486 C CA . GLN B 66 ? 0.6936 0.7178 0.5775 -0.0464 0.0703 -0.0249 567 GLN B CA 2487 C C . GLN B 66 ? 0.6818 0.7173 0.5765 -0.0422 0.0689 -0.0280 567 GLN B C 2488 O O . GLN B 66 ? 0.6712 0.7181 0.5786 -0.0377 0.0655 -0.0319 567 GLN B O 2489 C CB . GLN B 66 ? 0.7209 0.7452 0.5996 -0.0571 0.0768 -0.0295 567 GLN B CB 2490 C CG . GLN B 66 ? 0.7383 0.7806 0.6314 -0.0603 0.0792 -0.0388 567 GLN B CG 2491 C CD . GLN B 66 ? 0.7633 0.8072 0.6531 -0.0713 0.0856 -0.0439 567 GLN B CD 2492 O OE1 . GLN B 66 ? 0.7953 0.8275 0.6736 -0.0759 0.0869 -0.0408 567 GLN B OE1 2493 N NE2 . GLN B 66 ? 0.7704 0.8289 0.6705 -0.0757 0.0898 -0.0520 567 GLN B NE2 2494 N N . ALA B 67 ? 0.6823 0.7133 0.5710 -0.0435 0.0710 -0.0263 568 ALA B N 2495 C CA . ALA B 67 ? 0.6686 0.7083 0.5655 -0.0398 0.0699 -0.0289 568 ALA B CA 2496 C C . ALA B 67 ? 0.6537 0.6951 0.5575 -0.0301 0.0631 -0.0256 568 ALA B C 2497 O O . ALA B 67 ? 0.6522 0.7048 0.5675 -0.0260 0.0604 -0.0299 568 ALA B O 2498 C CB . ALA B 67 ? 0.6739 0.7050 0.5603 -0.0425 0.0726 -0.0262 568 ALA B CB 2499 N N . LEU B 68 ? 0.6455 0.6755 0.5420 -0.0266 0.0603 -0.0183 569 LEU B N 2500 C CA . LEU B 68 ? 0.6314 0.6613 0.5325 -0.0184 0.0546 -0.0146 569 LEU B CA 2501 C C . LEU B 68 ? 0.6270 0.6650 0.5375 -0.0152 0.0514 -0.0180 569 LEU B C 2502 O O . LEU B 68 ? 0.6200 0.6641 0.5385 -0.0098 0.0473 -0.0195 569 LEU B O 2503 C CB . LEU B 68 ? 0.6278 0.6445 0.5195 -0.0161 0.0532 -0.0068 569 LEU B CB 2504 C CG . LEU B 68 ? 0.6224 0.6380 0.5178 -0.0085 0.0482 -0.0025 569 LEU B CG 2505 C CD1 . LEU B 68 ? 0.6245 0.6439 0.5241 -0.0057 0.0464 -0.0027 569 LEU B CD1 2506 C CD2 . LEU B 68 ? 0.6304 0.6344 0.5176 -0.0069 0.0476 0.0041 569 LEU B CD2 2507 N N . GLN B 69 ? 0.6257 0.6626 0.5343 -0.0186 0.0528 -0.0194 570 GLN B N 2508 C CA . GLN B 69 ? 0.6222 0.6658 0.5388 -0.0160 0.0495 -0.0230 570 GLN B CA 2509 C C . GLN B 69 ? 0.6184 0.6764 0.5476 -0.0156 0.0485 -0.0312 570 GLN B C 2510 O O . GLN B 69 ? 0.6175 0.6805 0.5541 -0.0098 0.0432 -0.0330 570 GLN B O 2511 C CB . GLN B 69 ? 0.6305 0.6703 0.5425 -0.0207 0.0515 -0.0236 570 GLN B CB 2512 C CG . GLN B 69 ? 0.6354 0.6614 0.5364 -0.0192 0.0510 -0.0163 570 GLN B CG 2513 C CD . GLN B 69 ? 0.6369 0.6605 0.5396 -0.0120 0.0460 -0.0131 570 GLN B CD 2514 O OE1 . GLN B 69 ? 0.6234 0.6534 0.5337 -0.0073 0.0422 -0.0150 570 GLN B OE1 2515 N NE2 . GLN B 69 ? 0.6471 0.6606 0.5416 -0.0112 0.0459 -0.0085 570 GLN B NE2 2516 N N . LEU B 70 ? 0.6259 0.6903 0.5570 -0.0217 0.0535 -0.0362 571 LEU B N 2517 C CA . LEU B 70 ? 0.6273 0.7067 0.5713 -0.0216 0.0533 -0.0449 571 LEU B CA 2518 C C . LEU B 70 ? 0.6186 0.7011 0.5675 -0.0148 0.0492 -0.0448 571 LEU B C 2519 O O . LEU B 70 ? 0.6197 0.7123 0.5797 -0.0106 0.0452 -0.0506 571 LEU B O 2520 C CB . LEU B 70 ? 0.6381 0.7230 0.5819 -0.0304 0.0607 -0.0502 571 LEU B CB 2521 C CG . LEU B 70 ? 0.6486 0.7327 0.5896 -0.0379 0.0646 -0.0521 571 LEU B CG 2522 C CD1 . LEU B 70 ? 0.6562 0.7415 0.5925 -0.0477 0.0728 -0.0555 571 LEU B CD1 2523 C CD2 . LEU B 70 ? 0.6430 0.7391 0.5973 -0.0362 0.0611 -0.0591 571 LEU B CD2 2524 N N . PHE B 71 ? 0.6114 0.6847 0.5519 -0.0137 0.0498 -0.0383 572 PHE B N 2525 C CA . PHE B 71 ? 0.6026 0.6762 0.5458 -0.0073 0.0455 -0.0368 572 PHE B CA 2526 C C . PHE B 71 ? 0.5996 0.6711 0.5456 0.0000 0.0384 -0.0343 572 PHE B C 2527 O O . PHE B 71 ? 0.6088 0.6855 0.5617 0.0051 0.0337 -0.0373 572 PHE B O 2528 C CB . PHE B 71 ? 0.6017 0.6647 0.5346 -0.0080 0.0474 -0.0299 572 PHE B CB 2529 C CG . PHE B 71 ? 0.5981 0.6597 0.5326 -0.0017 0.0427 -0.0273 572 PHE B CG 2530 C CD1 . PHE B 71 ? 0.6037 0.6725 0.5435 -0.0007 0.0427 -0.0320 572 PHE B CD1 2531 C CD2 . PHE B 71 ? 0.5967 0.6501 0.5276 0.0029 0.0386 -0.0204 572 PHE B CD2 2532 C CE1 . PHE B 71 ? 0.6018 0.6685 0.5424 0.0048 0.0380 -0.0296 572 PHE B CE1 2533 C CE2 . PHE B 71 ? 0.5991 0.6510 0.5313 0.0080 0.0343 -0.0181 572 PHE B CE2 2534 C CZ . PHE B 71 ? 0.6034 0.6615 0.5401 0.0090 0.0337 -0.0225 572 PHE B CZ 2535 N N . LEU B 72 ? 0.5987 0.6616 0.5383 0.0001 0.0378 -0.0290 573 LEU B N 2536 C CA . LEU B 72 ? 0.5991 0.6583 0.5392 0.0061 0.0318 -0.0265 573 LEU B CA 2537 C C . LEU B 72 ? 0.6091 0.6766 0.5580 0.0082 0.0278 -0.0334 573 LEU B C 2538 O O . LEU B 72 ? 0.5994 0.6664 0.5509 0.0141 0.0216 -0.0338 573 LEU B O 2539 C CB . LEU B 72 ? 0.5913 0.6393 0.5220 0.0055 0.0329 -0.0195 573 LEU B CB 2540 C CG . LEU B 72 ? 0.5872 0.6266 0.5103 0.0053 0.0351 -0.0125 573 LEU B CG 2541 C CD1 . LEU B 72 ? 0.5910 0.6206 0.5058 0.0044 0.0366 -0.0070 573 LEU B CD1 2542 C CD2 . LEU B 72 ? 0.5820 0.6200 0.5067 0.0107 0.0310 -0.0096 573 LEU B CD2 2543 N N . ARG B 73 ? 0.6243 0.6989 0.5775 0.0033 0.0309 -0.0391 574 ARG B N 2544 C CA . ARG B 73 ? 0.6331 0.7178 0.5968 0.0049 0.0270 -0.0472 574 ARG B CA 2545 C C . ARG B 73 ? 0.6433 0.7374 0.6167 0.0095 0.0231 -0.0531 574 ARG B C 2546 O O . ARG B 73 ? 0.6674 0.7644 0.6467 0.0150 0.0162 -0.0569 574 ARG B O 2547 C CB . ARG B 73 ? 0.6399 0.7322 0.6075 -0.0024 0.0322 -0.0529 574 ARG B CB 2548 C CG . ARG B 73 ? 0.6517 0.7564 0.6321 -0.0014 0.0286 -0.0623 574 ARG B CG 2549 C CD . ARG B 73 ? 0.6641 0.7762 0.6480 -0.0098 0.0347 -0.0676 574 ARG B CD 2550 N NE . ARG B 73 ? 0.6825 0.7839 0.6560 -0.0137 0.0368 -0.0621 574 ARG B NE 2551 C CZ . ARG B 73 ? 0.6976 0.8005 0.6694 -0.0219 0.0425 -0.0642 574 ARG B CZ 2552 N NH1 . ARG B 73 ? 0.6946 0.8100 0.6749 -0.0279 0.0474 -0.0719 574 ARG B NH1 2553 N NH2 . ARG B 73 ? 0.7117 0.8030 0.6728 -0.0244 0.0435 -0.0586 574 ARG B NH2 2554 N N . ALA B 74 ? 0.6330 0.7307 0.6072 0.0073 0.0273 -0.0539 575 ALA B N 2555 C CA . ALA B 74 ? 0.6239 0.7310 0.6072 0.0109 0.0247 -0.0602 575 ALA B CA 2556 C C . ALA B 74 ? 0.6175 0.7177 0.5977 0.0181 0.0186 -0.0559 575 ALA B C 2557 O O . ALA B 74 ? 0.6131 0.7200 0.6008 0.0227 0.0143 -0.0614 575 ALA B O 2558 C CB . ALA B 74 ? 0.6290 0.7422 0.6134 0.0052 0.0321 -0.0632 575 ALA B CB 2559 N N . THR B 75 ? 0.6226 0.7099 0.5921 0.0190 0.0182 -0.0466 576 THR B N 2560 C CA . THR B 75 ? 0.6290 0.7093 0.5950 0.0249 0.0129 -0.0422 576 THR B CA 2561 C C . THR B 75 ? 0.6386 0.7137 0.6035 0.0302 0.0055 -0.0414 576 THR B C 2562 O O . THR B 75 ? 0.6420 0.7136 0.6041 0.0290 0.0056 -0.0399 576 THR B O 2563 C CB . THR B 75 ? 0.6287 0.6984 0.5846 0.0233 0.0159 -0.0330 576 THR B CB 2564 O OG1 . THR B 75 ? 0.6208 0.6855 0.5749 0.0284 0.0109 -0.0299 576 THR B OG1 2565 C CG2 . THR B 75 ? 0.6360 0.6965 0.5842 0.0217 0.0174 -0.0265 576 THR B CG2 2566 N N . THR B 76 ? 0.6521 0.7254 0.6180 0.0360 -0.0009 -0.0422 577 THR B N 2567 C CA . THR B 76 ? 0.6617 0.7267 0.6235 0.0411 -0.0083 -0.0405 577 THR B CA 2568 C C . THR B 76 ? 0.6705 0.7223 0.6214 0.0419 -0.0087 -0.0310 577 THR B C 2569 O O . THR B 76 ? 0.6926 0.7355 0.6375 0.0448 -0.0135 -0.0284 577 THR B O 2570 C CB . THR B 76 ? 0.6704 0.7396 0.6385 0.0472 -0.0162 -0.0474 577 THR B CB 2571 O OG1 . THR B 76 ? 0.6742 0.7454 0.6436 0.0482 -0.0156 -0.0474 577 THR B OG1 2572 C CG2 . THR B 76 ? 0.6714 0.7541 0.6515 0.0473 -0.0172 -0.0577 577 THR B CG2 2573 N N . GLU B 77 ? 0.6582 0.7083 0.6062 0.0392 -0.0038 -0.0261 578 GLU B N 2574 C CA . GLU B 77 ? 0.6559 0.6951 0.5951 0.0389 -0.0028 -0.0173 578 GLU B CA 2575 C C . GLU B 77 ? 0.6402 0.6741 0.5742 0.0366 0.0000 -0.0135 578 GLU B C 2576 O O . GLU B 77 ? 0.6398 0.6780 0.5756 0.0329 0.0044 -0.0152 578 GLU B O 2577 C CB . GLU B 77 ? 0.6743 0.7134 0.6122 0.0360 0.0021 -0.0133 578 GLU B CB 2578 C CG . GLU B 77 ? 0.6951 0.7344 0.6344 0.0387 -0.0011 -0.0139 578 GLU B CG 2579 C CD . GLU B 77 ? 0.7047 0.7397 0.6401 0.0366 0.0020 -0.0079 578 GLU B CD 2580 O OE1 . GLU B 77 ? 0.7114 0.7389 0.6424 0.0381 -0.0003 -0.0026 578 GLU B OE1 2581 O OE2 . GLU B 77 ? 0.7287 0.7676 0.6652 0.0331 0.0069 -0.0086 578 GLU B OE2 2582 N N . LEU B 78 ? 0.6320 0.6561 0.5588 0.0385 -0.0024 -0.0084 579 LEU B N 2583 C CA . LEU B 78 ? 0.6236 0.6417 0.5446 0.0369 0.0000 -0.0049 579 LEU B CA 2584 C C . LEU B 78 ? 0.6124 0.6285 0.5307 0.0334 0.0065 0.0007 579 LEU B C 2585 O O . LEU B 78 ? 0.6152 0.6307 0.5316 0.0307 0.0104 0.0015 579 LEU B O 2586 C CB . LEU B 78 ? 0.6279 0.6357 0.5414 0.0399 -0.0045 -0.0020 579 LEU B CB 2587 C CG . LEU B 78 ? 0.6281 0.6354 0.5426 0.0440 -0.0125 -0.0075 579 LEU B CG 2588 C CD1 . LEU B 78 ? 0.6328 0.6271 0.5369 0.0462 -0.0167 -0.0039 579 LEU B CD1 2589 C CD2 . LEU B 78 ? 0.6249 0.6390 0.5448 0.0438 -0.0134 -0.0140 579 LEU B CD2 2590 N N . ARG B 79 ? 0.6106 0.6250 0.5284 0.0336 0.0071 0.0044 580 ARG B N 2591 C CA . ARG B 79 ? 0.6115 0.6244 0.5277 0.0309 0.0122 0.0092 580 ARG B CA 2592 C C . ARG B 79 ? 0.6055 0.6234 0.5257 0.0300 0.0129 0.0077 580 ARG B C 2593 O O . ARG B 79 ? 0.6144 0.6326 0.5362 0.0322 0.0094 0.0073 580 ARG B O 2594 C CB . ARG B 79 ? 0.6119 0.6174 0.5236 0.0319 0.0122 0.0154 580 ARG B CB 2595 C CG . ARG B 79 ? 0.6214 0.6208 0.5278 0.0328 0.0116 0.0167 580 ARG B CG 2596 C CD . ARG B 79 ? 0.6279 0.6209 0.5301 0.0327 0.0133 0.0226 580 ARG B CD 2597 N NE . ARG B 79 ? 0.6332 0.6194 0.5290 0.0337 0.0121 0.0233 580 ARG B NE 2598 C CZ . ARG B 79 ? 0.6420 0.6218 0.5328 0.0333 0.0141 0.0276 580 ARG B CZ 2599 N NH1 . ARG B 79 ? 0.6454 0.6259 0.5383 0.0322 0.0171 0.0315 580 ARG B NH1 2600 N NH2 . ARG B 79 ? 0.6545 0.6274 0.5381 0.0339 0.0130 0.0277 580 ARG B NH2 2601 N N . THR B 80 ? 0.6032 0.6239 0.5239 0.0266 0.0174 0.0069 581 THR B N 2602 C CA . THR B 80 ? 0.6007 0.6252 0.5236 0.0250 0.0187 0.0052 581 THR B CA 2603 C C . THR B 80 ? 0.6066 0.6257 0.5258 0.0240 0.0207 0.0110 581 THR B C 2604 O O . THR B 80 ? 0.6188 0.6341 0.5344 0.0220 0.0239 0.0138 581 THR B O 2605 C CB . THR B 80 ? 0.5954 0.6256 0.5199 0.0212 0.0224 0.0001 581 THR B CB 2606 O OG1 . THR B 80 ? 0.5861 0.6231 0.5161 0.0225 0.0199 -0.0060 581 THR B OG1 2607 C CG2 . THR B 80 ? 0.6017 0.6345 0.5266 0.0190 0.0245 -0.0013 581 THR B CG2 2608 N N . PHE B 81 ? 0.6147 0.6332 0.5350 0.0256 0.0182 0.0123 582 PHE B N 2609 C CA . PHE B 81 ? 0.6089 0.6228 0.5269 0.0251 0.0190 0.0172 582 PHE B CA 2610 C C . PHE B 81 ? 0.6125 0.6276 0.5302 0.0237 0.0194 0.0155 582 PHE B C 2611 O O . PHE B 81 ? 0.6259 0.6367 0.5415 0.0234 0.0192 0.0192 582 PHE B O 2612 C CB . PHE B 81 ? 0.6027 0.6133 0.5214 0.0279 0.0154 0.0210 582 PHE B CB 2613 C CG . PHE B 81 ? 0.5983 0.6056 0.5155 0.0286 0.0160 0.0241 582 PHE B CG 2614 C CD1 . PHE B 81 ? 0.5959 0.5995 0.5117 0.0279 0.0184 0.0286 582 PHE B CD1 2615 C CD2 . PHE B 81 ? 0.5990 0.6062 0.5157 0.0301 0.0140 0.0222 582 PHE B CD2 2616 C CE1 . PHE B 81 ? 0.5942 0.5951 0.5087 0.0284 0.0196 0.0310 582 PHE B CE1 2617 C CE2 . PHE B 81 ? 0.6045 0.6075 0.5184 0.0305 0.0150 0.0251 582 PHE B CE2 2618 C CZ . PHE B 81 ? 0.5986 0.5988 0.5115 0.0295 0.0182 0.0295 582 PHE B CZ 2619 N N . SER B 82 ? 0.6112 0.6321 0.5311 0.0228 0.0199 0.0097 583 SER B N 2620 C CA . SER B 82 ? 0.6168 0.6393 0.5366 0.0222 0.0198 0.0074 583 SER B CA 2621 C C . SER B 82 ? 0.6153 0.6381 0.5313 0.0175 0.0247 0.0050 583 SER B C 2622 O O . SER B 82 ? 0.6192 0.6435 0.5344 0.0164 0.0255 0.0022 583 SER B O 2623 C CB . SER B 82 ? 0.6256 0.6547 0.5509 0.0250 0.0165 0.0018 583 SER B CB 2624 O OG . SER B 82 ? 0.6336 0.6692 0.5625 0.0242 0.0180 -0.0035 583 SER B OG 2625 N N . ILE B 83 ? 0.6151 0.6355 0.5277 0.0145 0.0282 0.0061 584 ILE B N 2626 C CA . ILE B 83 ? 0.6170 0.6367 0.5247 0.0092 0.0331 0.0036 584 ILE B CA 2627 C C . ILE B 83 ? 0.6335 0.6457 0.5339 0.0076 0.0336 0.0064 584 ILE B C 2628 O O . ILE B 83 ? 0.6483 0.6616 0.5460 0.0046 0.0362 0.0027 584 ILE B O 2629 C CB . ILE B 83 ? 0.6099 0.6271 0.5142 0.0063 0.0362 0.0043 584 ILE B CB 2630 C CG1 . ILE B 83 ? 0.6023 0.6281 0.5134 0.0066 0.0363 -0.0005 584 ILE B CG1 2631 C CG2 . ILE B 83 ? 0.6185 0.6311 0.5146 0.0003 0.0410 0.0033 584 ILE B CG2 2632 C CD1 . ILE B 83 ? 0.6056 0.6283 0.5141 0.0053 0.0378 0.0011 584 ILE B CD1 2633 N N . LEU B 84 ? 0.6445 0.6492 0.5421 0.0097 0.0311 0.0123 585 LEU B N 2634 C CA . LEU B 84 ? 0.6524 0.6489 0.5429 0.0085 0.0306 0.0151 585 LEU B CA 2635 C C . LEU B 84 ? 0.6594 0.6576 0.5518 0.0104 0.0279 0.0138 585 LEU B C 2636 O O . LEU B 84 ? 0.6717 0.6657 0.5576 0.0079 0.0292 0.0128 585 LEU B O 2637 C CB . LEU B 84 ? 0.6519 0.6408 0.5401 0.0105 0.0282 0.0211 585 LEU B CB 2638 C CG . LEU B 84 ? 0.6576 0.6422 0.5414 0.0085 0.0309 0.0223 585 LEU B CG 2639 C CD1 . LEU B 84 ? 0.6584 0.6368 0.5418 0.0114 0.0281 0.0276 585 LEU B CD1 2640 C CD2 . LEU B 84 ? 0.6627 0.6416 0.5365 0.0030 0.0347 0.0202 585 LEU B CD2 2641 N N . ASN B 85 ? 0.6687 0.6720 0.5686 0.0145 0.0242 0.0139 586 ASN B N 2642 C CA . ASN B 85 ? 0.6822 0.6872 0.5837 0.0165 0.0214 0.0121 586 ASN B CA 2643 C C . ASN B 85 ? 0.6853 0.6960 0.5867 0.0142 0.0247 0.0053 586 ASN B C 2644 O O . ASN B 85 ? 0.6731 0.6819 0.5710 0.0136 0.0246 0.0038 586 ASN B O 2645 C CB . ASN B 85 ? 0.6876 0.6961 0.5961 0.0211 0.0167 0.0130 586 ASN B CB 2646 C CG . ASN B 85 ? 0.7123 0.7150 0.6209 0.0232 0.0131 0.0193 586 ASN B CG 2647 O OD1 . ASN B 85 ? 0.7157 0.7120 0.6199 0.0219 0.0133 0.0228 586 ASN B OD1 2648 N ND2 . ASN B 85 ? 0.7161 0.7206 0.6295 0.0262 0.0095 0.0206 586 ASN B ND2 2649 N N . ARG B 86 ? 0.6920 0.7101 0.5975 0.0128 0.0276 0.0009 587 ARG B N 2650 C CA . ARG B 86 ? 0.7035 0.7287 0.6104 0.0101 0.0314 -0.0063 587 ARG B CA 2651 C C . ARG B 86 ? 0.6886 0.7082 0.5858 0.0040 0.0369 -0.0068 587 ARG B C 2652 O O . ARG B 86 ? 0.6785 0.7008 0.5742 0.0018 0.0397 -0.0115 587 ARG B O 2653 C CB . ARG B 86 ? 0.7312 0.7659 0.6457 0.0100 0.0328 -0.0111 587 ARG B CB 2654 C CG . ARG B 86 ? 0.7780 0.8233 0.6985 0.0094 0.0349 -0.0197 587 ARG B CG 2655 C CD . ARG B 86 ? 0.8198 0.8737 0.7457 0.0066 0.0383 -0.0250 587 ARG B CD 2656 N NE . ARG B 86 ? 0.8721 0.9370 0.8042 0.0050 0.0414 -0.0340 587 ARG B NE 2657 C CZ . ARG B 86 ? 0.9230 0.9982 0.8625 0.0027 0.0442 -0.0406 587 ARG B CZ 2658 N NH1 . ARG B 86 ? 0.9417 1.0167 0.8823 0.0017 0.0441 -0.0390 587 ARG B NH1 2659 N NH2 . ARG B 86 ? 0.9334 1.0196 0.8795 0.0015 0.0472 -0.0493 587 ARG B NH2 2660 N N . LYS B 87 ? 0.6795 0.6907 0.5696 0.0014 0.0383 -0.0021 588 LYS B N 2661 C CA . LYS B 87 ? 0.6854 0.6875 0.5634 -0.0041 0.0422 -0.0015 588 LYS B CA 2662 C C . LYS B 87 ? 0.6806 0.6752 0.5525 -0.0029 0.0396 0.0006 588 LYS B C 2663 O O . LYS B 87 ? 0.6764 0.6676 0.5405 -0.0069 0.0430 -0.0021 588 LYS B O 2664 C CB . LYS B 87 ? 0.6911 0.6838 0.5620 -0.0060 0.0427 0.0033 588 LYS B CB 2665 C CG . LYS B 87 ? 0.6994 0.6969 0.5729 -0.0087 0.0461 0.0012 588 LYS B CG 2666 C CD . LYS B 87 ? 0.7160 0.7149 0.5843 -0.0159 0.0527 -0.0041 588 LYS B CD 2667 C CE . LYS B 87 ? 0.7247 0.7261 0.5942 -0.0189 0.0555 -0.0053 588 LYS B CE 2668 N NZ . LYS B 87 ? 0.7427 0.7528 0.6144 -0.0248 0.0615 -0.0127 588 LYS B NZ 2669 N N . ALA B 88 ? 0.6662 0.6580 0.5413 0.0022 0.0336 0.0053 589 ALA B N 2670 C CA . ALA B 88 ? 0.6643 0.6491 0.5347 0.0040 0.0300 0.0076 589 ALA B CA 2671 C C . ALA B 88 ? 0.6601 0.6507 0.5323 0.0041 0.0310 0.0020 589 ALA B C 2672 O O . ALA B 88 ? 0.6658 0.6499 0.5291 0.0018 0.0322 0.0012 589 ALA B O 2673 C CB . ALA B 88 ? 0.6585 0.6420 0.5347 0.0093 0.0236 0.0129 589 ALA B CB 2674 N N . ILE B 89 ? 0.6562 0.6583 0.5390 0.0070 0.0304 -0.0019 590 ILE B N 2675 C CA . ILE B 89 ? 0.6552 0.6642 0.5413 0.0079 0.0311 -0.0082 590 ILE B CA 2676 C C . ILE B 89 ? 0.6673 0.6782 0.5480 0.0018 0.0386 -0.0140 590 ILE B C 2677 O O . ILE B 89 ? 0.6748 0.6835 0.5500 0.0005 0.0402 -0.0169 590 ILE B O 2678 C CB . ILE B 89 ? 0.6441 0.6647 0.5428 0.0125 0.0284 -0.0120 590 ILE B CB 2679 C CG1 . ILE B 89 ? 0.6428 0.6600 0.5448 0.0180 0.0212 -0.0066 590 ILE B CG1 2680 C CG2 . ILE B 89 ? 0.6515 0.6804 0.5542 0.0135 0.0297 -0.0199 590 ILE B CG2 2681 C CD1 . ILE B 89 ? 0.6380 0.6628 0.5496 0.0218 0.0182 -0.0082 590 ILE B CD1 2682 N N . ASP B 90 ? 0.6671 0.6816 0.5485 -0.0022 0.0434 -0.0158 591 ASP B N 2683 C CA . ASP B 90 ? 0.6767 0.6933 0.5530 -0.0091 0.0512 -0.0215 591 ASP B CA 2684 C C . ASP B 90 ? 0.6866 0.6886 0.5462 -0.0143 0.0540 -0.0185 591 ASP B C 2685 O O . ASP B 90 ? 0.6967 0.6987 0.5502 -0.0196 0.0599 -0.0234 591 ASP B O 2686 C CB . ASP B 90 ? 0.6762 0.6990 0.5567 -0.0126 0.0551 -0.0235 591 ASP B CB 2687 C CG . ASP B 90 ? 0.6677 0.7063 0.5637 -0.0092 0.0542 -0.0296 591 ASP B CG 2688 O OD1 . ASP B 90 ? 0.6657 0.7119 0.5686 -0.0055 0.0525 -0.0344 591 ASP B OD1 2689 O OD2 . ASP B 90 ? 0.6840 0.7268 0.5848 -0.0100 0.0548 -0.0298 591 ASP B OD2 2690 N N . PHE B 91 ? 0.6842 0.6736 0.5365 -0.0130 0.0496 -0.0108 592 PHE B N 2691 C CA . PHE B 91 ? 0.6954 0.6690 0.5316 -0.0163 0.0499 -0.0074 592 PHE B CA 2692 C C . PHE B 91 ? 0.6938 0.6659 0.5271 -0.0147 0.0487 -0.0096 592 PHE B C 2693 O O . PHE B 91 ? 0.6956 0.6623 0.5181 -0.0198 0.0535 -0.0127 592 PHE B O 2694 C CB . PHE B 91 ? 0.6997 0.6622 0.5321 -0.0133 0.0439 0.0005 592 PHE B CB 2695 C CG . PHE B 91 ? 0.7290 0.6741 0.5449 -0.0157 0.0424 0.0042 592 PHE B CG 2696 C CD1 . PHE B 91 ? 0.7485 0.6821 0.5511 -0.0212 0.0454 0.0056 592 PHE B CD1 2697 C CD2 . PHE B 91 ? 0.7345 0.6737 0.5474 -0.0125 0.0375 0.0061 592 PHE B CD2 2698 C CE1 . PHE B 91 ? 0.7605 0.6763 0.5465 -0.0232 0.0432 0.0089 592 PHE B CE1 2699 C CE2 . PHE B 91 ? 0.7465 0.6687 0.5435 -0.0145 0.0355 0.0092 592 PHE B CE2 2700 C CZ . PHE B 91 ? 0.7603 0.6706 0.5438 -0.0197 0.0381 0.0106 592 PHE B CZ 2701 N N . LEU B 92 ? 0.6833 0.6598 0.5259 -0.0079 0.0424 -0.0081 593 LEU B N 2702 C CA . LEU B 92 ? 0.6872 0.6624 0.5280 -0.0055 0.0401 -0.0099 593 LEU B CA 2703 C C . LEU B 92 ? 0.7020 0.6874 0.5457 -0.0077 0.0461 -0.0187 593 LEU B C 2704 O O . LEU B 92 ? 0.7137 0.6939 0.5486 -0.0096 0.0481 -0.0211 593 LEU B O 2705 C CB . LEU B 92 ? 0.6713 0.6497 0.5221 0.0019 0.0321 -0.0068 593 LEU B CB 2706 C CG . LEU B 92 ? 0.6669 0.6347 0.5144 0.0041 0.0260 0.0013 593 LEU B CG 2707 C CD1 . LEU B 92 ? 0.6517 0.6250 0.5109 0.0104 0.0194 0.0040 593 LEU B CD1 2708 C CD2 . LEU B 92 ? 0.6821 0.6356 0.5161 0.0028 0.0239 0.0038 593 LEU B CD2 2709 N N . LEU B 93 ? 0.7140 0.7140 0.5701 -0.0073 0.0488 -0.0238 594 LEU B N 2710 C CA . LEU B 93 ? 0.7210 0.7331 0.5825 -0.0089 0.0544 -0.0331 594 LEU B CA 2711 C C . LEU B 93 ? 0.7478 0.7561 0.5980 -0.0178 0.0636 -0.0369 594 LEU B C 2712 O O . LEU B 93 ? 0.7504 0.7629 0.5990 -0.0199 0.0682 -0.0434 594 LEU B O 2713 C CB . LEU B 93 ? 0.6982 0.7267 0.5764 -0.0061 0.0543 -0.0381 594 LEU B CB 2714 C CG . LEU B 93 ? 0.6860 0.7200 0.5755 0.0025 0.0460 -0.0372 594 LEU B CG 2715 C CD1 . LEU B 93 ? 0.6828 0.7316 0.5867 0.0044 0.0463 -0.0428 594 LEU B CD1 2716 C CD2 . LEU B 93 ? 0.6853 0.7193 0.5747 0.0067 0.0430 -0.0402 594 LEU B CD2 2717 N N . GLN B 94 ? 0.7855 0.7857 0.6272 -0.0232 0.0663 -0.0330 595 GLN B N 2718 C CA . GLN B 94 ? 0.8320 0.8256 0.6601 -0.0325 0.0748 -0.0356 595 GLN B CA 2719 C C . GLN B 94 ? 0.8449 0.8241 0.6565 -0.0345 0.0753 -0.0343 595 GLN B C 2720 O O . GLN B 94 ? 0.8588 0.8388 0.6639 -0.0401 0.0826 -0.0403 595 GLN B O 2721 C CB . GLN B 94 ? 0.8663 0.8505 0.6861 -0.0372 0.0760 -0.0306 595 GLN B CB 2722 C CG . GLN B 94 ? 0.9066 0.9037 0.7359 -0.0412 0.0816 -0.0356 595 GLN B CG 2723 C CD . GLN B 94 ? 0.9596 0.9640 0.7870 -0.0489 0.0915 -0.0445 595 GLN B CD 2724 O OE1 . GLN B 94 ? 0.9899 0.9834 0.8017 -0.0545 0.0960 -0.0451 595 GLN B OE1 2725 N NE2 . GLN B 94 ? 0.9703 0.9935 0.8140 -0.0491 0.0948 -0.0518 595 GLN B NE2 2726 N N . ARG B 95 ? 0.8383 0.8047 0.6437 -0.0301 0.0674 -0.0268 596 ARG B N 2727 C CA . ARG B 95 ? 0.8462 0.7969 0.6353 -0.0313 0.0661 -0.0246 596 ARG B CA 2728 C C . ARG B 95 ? 0.8239 0.7809 0.6183 -0.0268 0.0646 -0.0289 596 ARG B C 2729 O O . ARG B 95 ? 0.8439 0.7956 0.6273 -0.0306 0.0692 -0.0326 596 ARG B O 2730 C CB . ARG B 95 ? 0.8657 0.8009 0.6474 -0.0279 0.0577 -0.0154 596 ARG B CB 2731 C CG . ARG B 95 ? 0.9002 0.8238 0.6706 -0.0332 0.0594 -0.0114 596 ARG B CG 2732 C CD . ARG B 95 ? 0.9345 0.8459 0.7017 -0.0285 0.0503 -0.0031 596 ARG B CD 2733 N NE . ARG B 95 ? 0.9814 0.8759 0.7319 -0.0334 0.0508 0.0006 596 ARG B NE 2734 C CZ . ARG B 95 ? 1.0265 0.9217 0.7765 -0.0371 0.0543 0.0008 596 ARG B CZ 2735 N NH1 . ARG B 95 ? 1.0368 0.9494 0.8025 -0.0367 0.0579 -0.0024 596 ARG B NH1 2736 N NH2 . ARG B 95 ? 1.0565 0.9338 0.7895 -0.0411 0.0537 0.0044 596 ARG B NH2 2737 N N . TRP B 96 ? 0.7952 0.7630 0.6056 -0.0189 0.0584 -0.0286 597 TRP B N 2738 C CA . TRP B 96 ? 0.7866 0.7569 0.6006 -0.0133 0.0542 -0.0308 597 TRP B CA 2739 C C . TRP B 96 ? 0.7740 0.7632 0.6044 -0.0096 0.0558 -0.0389 597 TRP B C 2740 O O . TRP B 96 ? 0.7579 0.7496 0.5927 -0.0039 0.0513 -0.0407 597 TRP B O 2741 C CB . TRP B 96 ? 0.7832 0.7460 0.5989 -0.0068 0.0439 -0.0229 597 TRP B CB 2742 C CG . TRP B 96 ? 0.8033 0.7486 0.6048 -0.0096 0.0415 -0.0156 597 TRP B CG 2743 C CD1 . TRP B 96 ? 0.8032 0.7449 0.6060 -0.0095 0.0387 -0.0097 597 TRP B CD1 2744 C CD2 . TRP B 96 ? 0.8309 0.7593 0.6140 -0.0128 0.0415 -0.0139 597 TRP B CD2 2745 N NE1 . TRP B 96 ? 0.8260 0.7499 0.6132 -0.0119 0.0364 -0.0045 597 TRP B NE1 2746 C CE2 . TRP B 96 ? 0.8414 0.7563 0.6158 -0.0141 0.0379 -0.0068 597 TRP B CE2 2747 C CE3 . TRP B 96 ? 0.8499 0.7726 0.6224 -0.0145 0.0440 -0.0178 597 TRP B CE3 2748 C CZ2 . TRP B 96 ? 0.8601 0.7554 0.6154 -0.0169 0.0359 -0.0035 597 TRP B CZ2 2749 C CZ3 . TRP B 96 ? 0.8751 0.7778 0.6278 -0.0177 0.0425 -0.0142 597 TRP B CZ3 2750 C CH2 . TRP B 96 ? 0.8731 0.7621 0.6173 -0.0188 0.0382 -0.0071 597 TRP B CH2 2751 N N . GLY B 97 ? 0.7891 0.7911 0.6281 -0.0128 0.0620 -0.0442 598 GLY B N 2752 C CA . GLY B 97 ? 0.8058 0.8266 0.6619 -0.0089 0.0627 -0.0524 598 GLY B CA 2753 C C . GLY B 97 ? 0.8410 0.8689 0.6974 -0.0101 0.0684 -0.0618 598 GLY B C 2754 O O . GLY B 97 ? 0.8284 0.8703 0.6987 -0.0047 0.0667 -0.0685 598 GLY B O 2755 N N . GLY B 98 ? 0.8990 0.9172 0.7398 -0.0170 0.0750 -0.0627 599 GLY B N 2756 C CA . GLY B 98 ? 0.9321 0.9552 0.7706 -0.0188 0.0813 -0.0715 599 GLY B CA 2757 C C . GLY B 98 ? 0.9674 0.9735 0.7894 -0.0180 0.0784 -0.0677 599 GLY B C 2758 O O . GLY B 98 ? 0.9719 0.9661 0.7893 -0.0136 0.0696 -0.0591 599 GLY B O 2759 N N . THR B 99 ? 1.0015 1.0070 0.8152 -0.0223 0.0860 -0.0744 600 THR B N 2760 C CA . THR B 99 ? 1.0288 1.0161 0.8231 -0.0237 0.0852 -0.0714 600 THR B CA 2761 C C . THR B 99 ? 1.0464 1.0156 0.8210 -0.0323 0.0887 -0.0650 600 THR B C 2762 O O . THR B 99 ? 1.0426 1.0154 0.8152 -0.0402 0.0973 -0.0680 600 THR B O 2763 C CB . THR B 99 ? 1.0487 1.0417 0.8403 -0.0256 0.0930 -0.0815 600 THR B CB 2764 O OG1 . THR B 99 ? 1.0416 1.0498 0.8508 -0.0166 0.0883 -0.0873 600 THR B OG1 2765 C CG2 . THR B 99 ? 1.0729 1.0449 0.8417 -0.0279 0.0926 -0.0783 600 THR B CG2 2766 N N . CYS B 100 ? 1.0705 1.0202 0.8309 -0.0307 0.0815 -0.0565 601 CYS B N 2767 C CA . CYS B 100 ? 1.1138 1.0436 0.8540 -0.0375 0.0826 -0.0501 601 CYS B CA 2768 C C . CYS B 100 ? 1.1464 1.0628 0.8651 -0.0443 0.0897 -0.0537 601 CYS B C 2769 O O . CYS B 100 ? 1.1406 1.0457 0.8496 -0.0411 0.0851 -0.0521 601 CYS B O 2770 C CB . CYS B 100 ? 1.1168 1.0327 0.8534 -0.0318 0.0706 -0.0397 601 CYS B CB 2771 S SG . CYS B 100 ? 1.1571 1.0584 0.8829 -0.0365 0.0688 -0.0313 601 CYS B SG 2772 N N . HIS B 101 ? 1.1792 1.0969 0.8904 -0.0540 0.1012 -0.0588 602 HIS B N 2773 C CA . HIS B 101 ? 1.2256 1.1291 0.9141 -0.0622 0.1094 -0.0622 602 HIS B CA 2774 C C . HIS B 101 ? 1.2304 1.1059 0.8934 -0.0666 0.1056 -0.0534 602 HIS B C 2775 O O . HIS B 101 ? 1.2260 1.0955 0.8827 -0.0726 0.1080 -0.0503 602 HIS B O 2776 C CB . HIS B 101 ? 1.2570 1.1728 0.9471 -0.0718 0.1236 -0.0714 602 HIS B CB 2777 C CG . HIS B 101 ? 1.2849 1.2273 0.9981 -0.0681 0.1282 -0.0818 602 HIS B CG 2778 N ND1 . HIS B 101 ? 1.2937 1.2579 1.0319 -0.0638 0.1266 -0.0844 602 HIS B ND1 2779 C CD2 . HIS B 101 ? 1.3042 1.2546 1.0190 -0.0676 0.1339 -0.0907 602 HIS B CD2 2780 C CE1 . HIS B 101 ? 1.2855 1.2698 1.0399 -0.0607 0.1306 -0.0944 602 HIS B CE1 2781 N NE2 . HIS B 101 ? 1.2991 1.2761 1.0403 -0.0628 0.1352 -0.0986 602 HIS B NE2 2782 N N . ILE B 102 ? 1.2395 1.0970 0.8872 -0.0638 0.0994 -0.0496 603 ILE B N 2783 C CA . ILE B 102 ? 1.2823 1.1127 0.9074 -0.0660 0.0930 -0.0408 603 ILE B CA 2784 C C . ILE B 102 ? 1.3462 1.1610 0.9472 -0.0784 0.1030 -0.0423 603 ILE B C 2785 O O . ILE B 102 ? 1.3631 1.1813 0.9572 -0.0853 0.1143 -0.0500 603 ILE B O 2786 C CB . ILE B 102 ? 1.2806 1.0944 0.8939 -0.0604 0.0838 -0.0369 603 ILE B CB 2787 C CG1 . ILE B 102 ? 1.2584 1.0861 0.8945 -0.0489 0.0736 -0.0348 603 ILE B CG1 2788 C CG2 . ILE B 102 ? 1.2991 1.0853 0.8901 -0.0623 0.0764 -0.0283 603 ILE B CG2 2789 C CD1 . ILE B 102 ? 1.2668 1.0799 0.8937 -0.0432 0.0640 -0.0310 603 ILE B CD1 2790 N N . LEU B 103 ? 1.3852 1.1835 0.9740 -0.0811 0.0987 -0.0351 604 LEU B N 2791 C CA . LEU B 103 ? 1.4352 1.2173 1.0012 -0.0927 0.1066 -0.0352 604 LEU B CA 2792 C C . LEU B 103 ? 1.4422 1.2425 1.0194 -0.1000 0.1183 -0.0413 604 LEU B C 2793 O O . LEU B 103 ? 1.4726 1.2600 1.0315 -0.1103 0.1251 -0.0414 604 LEU B O 2794 C CB . LEU B 103 ? 1.4937 1.2529 1.0296 -0.0999 0.1115 -0.0371 604 LEU B CB 2795 C CG . LEU B 103 ? 1.5234 1.2493 1.0312 -0.1006 0.1024 -0.0289 604 LEU B CG 2796 C CD1 . LEU B 103 ? 1.5325 1.2452 1.0283 -0.1068 0.1026 -0.0245 604 LEU B CD1 2797 C CD2 . LEU B 103 ? 1.5107 1.2343 1.0282 -0.0884 0.0872 -0.0225 604 LEU B CD2 2798 N N . GLY B 104 ? 1.4296 1.2585 1.0359 -0.0949 0.1199 -0.0461 605 GLY B N 2799 C CA . GLY B 104 ? 1.4187 1.2661 1.0389 -0.1004 0.1287 -0.0512 605 GLY B CA 2800 C C . GLY B 104 ? 1.4157 1.2601 1.0403 -0.0988 0.1224 -0.0442 605 GLY B C 2801 O O . GLY B 104 ? 1.3967 1.2312 1.0208 -0.0913 0.1107 -0.0362 605 GLY B O 2802 N N . PRO B 105 ? 1.4196 1.2731 1.0490 -0.1059 0.1302 -0.0473 606 PRO B N 2803 C CA . PRO B 105 ? 1.4097 1.2592 1.0413 -0.1053 0.1251 -0.0411 606 PRO B CA 2804 C C . PRO B 105 ? 1.3766 1.2453 1.0362 -0.0941 0.1167 -0.0388 606 PRO B C 2805 O O . PRO B 105 ? 1.3608 1.2234 1.0212 -0.0913 0.1100 -0.0322 606 PRO B O 2806 C CB . PRO B 105 ? 1.4216 1.2767 1.0504 -0.1170 0.1372 -0.0466 606 PRO B CB 2807 C CG . PRO B 105 ? 1.4184 1.2957 1.0615 -0.1189 0.1467 -0.0571 606 PRO B CG 2808 C CD . PRO B 105 ? 1.4232 1.2938 1.0593 -0.1142 0.1438 -0.0575 606 PRO B CD 2809 N N . ASP B 106 ? 1.3568 1.2474 1.0379 -0.0879 0.1170 -0.0442 607 ASP B N 2810 C CA . ASP B 106 ? 1.3263 1.2349 1.0330 -0.0778 0.1096 -0.0428 607 ASP B CA 2811 C C . ASP B 106 ? 1.2788 1.1863 0.9916 -0.0671 0.0993 -0.0390 607 ASP B C 2812 O O . ASP B 106 ? 1.2607 1.1856 0.9949 -0.0592 0.0950 -0.0405 607 ASP B O 2813 C CB . ASP B 106 ? 1.3409 1.2763 1.0694 -0.0785 0.1167 -0.0521 607 ASP B CB 2814 C CG . ASP B 106 ? 1.3699 1.3091 1.0967 -0.0883 0.1257 -0.0554 607 ASP B CG 2815 O OD1 . ASP B 106 ? 1.3771 1.3124 1.1047 -0.0882 0.1220 -0.0500 607 ASP B OD1 2816 O OD2 . ASP B 106 ? 1.4064 1.3527 1.1312 -0.0963 0.1365 -0.0636 607 ASP B OD2 2817 N N . CYS B 107 ? 1.2469 1.1330 0.9402 -0.0671 0.0949 -0.0342 608 CYS B N 2818 C CA . CYS B 107 ? 1.2054 1.0880 0.9021 -0.0579 0.0849 -0.0303 608 CYS B CA 2819 C C . CYS B 107 ? 1.2101 1.0697 0.8909 -0.0565 0.0761 -0.0212 608 CYS B C 2820 O O . CYS B 107 ? 1.2539 1.0932 0.9113 -0.0629 0.0783 -0.0197 608 CYS B O 2821 C CB . CYS B 107 ? 1.1945 1.0762 0.8845 -0.0585 0.0885 -0.0358 608 CYS B CB 2822 S SG . CYS B 107 ? 1.1698 1.0447 0.8609 -0.0483 0.0766 -0.0315 608 CYS B SG 2823 N N . CYS B 108 ? 1.1932 1.0557 0.8865 -0.0482 0.0662 -0.0154 609 CYS B N 2824 C CA . CYS B 108 ? 1.1850 1.0290 0.8678 -0.0459 0.0572 -0.0071 609 CYS B CA 2825 C C . CYS B 108 ? 1.1997 1.0333 0.8774 -0.0402 0.0485 -0.0039 609 CYS B C 2826 O O . CYS B 108 ? 1.1923 1.0267 0.8799 -0.0330 0.0391 0.0011 609 CYS B O 2827 C CB . CYS B 108 ? 1.1532 1.0073 0.8534 -0.0408 0.0522 -0.0031 609 CYS B CB 2828 S SG . CYS B 108 ? 1.1334 1.0018 0.8423 -0.0464 0.0615 -0.0071 609 CYS B SG 2829 N N . ILE B 109 ? 1.2389 1.0627 0.9012 -0.0438 0.0519 -0.0071 610 ILE B N 2830 C CA . ILE B 109 ? 1.2722 1.0831 0.9259 -0.0395 0.0440 -0.0043 610 ILE B CA 2831 C C . ILE B 109 ? 1.3235 1.1076 0.9478 -0.0459 0.0445 -0.0024 610 ILE B C 2832 O O . ILE B 109 ? 1.3409 1.1203 0.9511 -0.0537 0.0541 -0.0072 610 ILE B O 2833 C CB . ILE B 109 ? 1.2632 1.0851 0.9237 -0.0371 0.0467 -0.0101 610 ILE B CB 2834 C CG1 . ILE B 109 ? 1.2300 1.0761 0.9182 -0.0301 0.0446 -0.0117 610 ILE B CG1 2835 C CG2 . ILE B 109 ? 1.2801 1.0858 0.9282 -0.0337 0.0389 -0.0074 610 ILE B CG2 2836 C CD1 . ILE B 109 ? 1.2271 1.0862 0.9237 -0.0276 0.0480 -0.0186 610 ILE B CD1 2837 N N . GLU B 110 ? 1.5915 1.2069 0.9573 0.1542 -0.0459 0.0481 611 GLU B N 2838 C CA . GLU B 110 ? 1.6086 1.2349 0.9829 0.1495 -0.0437 0.0471 611 GLU B CA 2839 C C . GLU B 110 ? 1.6083 1.2512 1.0001 0.1439 -0.0353 0.0472 611 GLU B C 2840 O O . GLU B 110 ? 1.5691 1.2142 0.9601 0.1462 -0.0273 0.0493 611 GLU B O 2841 C CB . GLU B 110 ? 1.6243 1.2436 0.9837 0.1547 -0.0407 0.0487 611 GLU B CB 2842 C CG . GLU B 110 ? 1.6298 1.2589 0.9963 0.1506 -0.0387 0.0481 611 GLU B CG 2843 C CD . GLU B 110 ? 1.6329 1.2643 1.0060 0.1456 -0.0473 0.0454 611 GLU B CD 2844 O OE1 . GLU B 110 ? 1.6128 1.2569 1.0025 0.1388 -0.0467 0.0441 611 GLU B OE1 2845 O OE2 . GLU B 110 ? 1.6641 1.2840 1.0255 0.1487 -0.0546 0.0447 611 GLU B OE2 2846 N N . PRO B 111 ? 1.6537 1.3074 1.0611 0.1367 -0.0370 0.0450 612 PRO B N 2847 C CA . PRO B 111 ? 1.6911 1.3591 1.1127 0.1311 -0.0294 0.0448 612 PRO B CA 2848 C C . PRO B 111 ? 1.7562 1.4318 1.1798 0.1283 -0.0258 0.0450 612 PRO B C 2849 O O . PRO B 111 ? 1.7608 1.4473 1.1952 0.1234 -0.0205 0.0447 612 PRO B O 2850 C CB . PRO B 111 ? 1.6654 1.3396 1.1014 0.1251 -0.0326 0.0425 612 PRO B CB 2851 C CG . PRO B 111 ? 1.6510 1.3149 1.0820 0.1274 -0.0423 0.0421 612 PRO B CG 2852 C CD . PRO B 111 ? 1.6506 1.3034 1.0641 0.1332 -0.0457 0.0430 612 PRO B CD 2853 N N . HIS B 112 ? 1.8585 1.5281 1.2719 0.1312 -0.0291 0.0454 613 HIS B N 2854 C CA . HIS B 112 ? 1.9275 1.6030 1.3417 0.1293 -0.0265 0.0461 613 HIS B CA 2855 C C . HIS B 112 ? 1.9415 1.6280 1.3646 0.1262 -0.0182 0.0476 613 HIS B C 2856 O O . HIS B 112 ? 1.9814 1.6774 1.4135 0.1201 -0.0174 0.0466 613 HIS B O 2857 C CB . HIS B 112 ? 1.9842 1.6486 1.3825 0.1361 -0.0279 0.0479 613 HIS B CB 2858 C CG . HIS B 112 ? 2.0183 1.6877 1.4172 0.1349 -0.0254 0.0491 613 HIS B CG 2859 N ND1 . HIS B 112 ? 2.0326 1.7075 1.4373 0.1298 -0.0295 0.0473 613 HIS B ND1 2860 C CD2 . HIS B 112 ? 2.0289 1.6979 1.4236 0.1384 -0.0194 0.0522 613 HIS B CD2 2861 C CE1 . HIS B 112 ? 2.0229 1.7011 1.4268 0.1299 -0.0264 0.0492 613 HIS B CE1 2862 N NE2 . HIS B 112 ? 2.0293 1.7041 1.4277 0.1351 -0.0203 0.0523 613 HIS B NE2 2863 N N . ASP B 113 ? 1.9690 1.6535 1.3892 0.1303 -0.0124 0.0502 614 ASP B N 2864 C CA . ASP B 113 ? 1.9711 1.6654 1.4007 0.1274 -0.0051 0.0520 614 ASP B CA 2865 C C . ASP B 113 ? 1.9947 1.6971 1.4368 0.1214 -0.0037 0.0498 614 ASP B C 2866 O O . ASP B 113 ? 2.0158 1.7276 1.4672 0.1160 -0.0005 0.0497 614 ASP B O 2867 C CB . ASP B 113 ? 1.9680 1.6575 1.3919 0.1340 0.0010 0.0560 614 ASP B CB 2868 C CG . ASP B 113 ? 1.9643 1.6478 1.3782 0.1394 0.0024 0.0590 614 ASP B CG 2869 O OD1 . ASP B 113 ? 1.9331 1.6209 1.3492 0.1364 0.0006 0.0587 614 ASP B OD1 2870 O OD2 . ASP B 113 ? 1.9860 1.6601 1.3896 0.1468 0.0057 0.0618 614 ASP B OD2 2871 N N . TRP B 114 ? 2.0477 1.7460 1.4899 0.1223 -0.0062 0.0482 615 TRP B N 2872 C CA . TRP B 114 ? 2.0944 1.7992 1.5483 0.1168 -0.0050 0.0460 615 TRP B CA 2873 C C . TRP B 114 ? 2.0842 1.7948 1.5457 0.1101 -0.0083 0.0429 615 TRP B C 2874 O O . TRP B 114 ? 2.0542 1.7713 1.5255 0.1048 -0.0057 0.0412 615 TRP B O 2875 C CB . TRP B 114 ? 2.1585 1.8569 1.6110 0.1201 -0.0067 0.0458 615 TRP B CB 2876 C CG . TRP B 114 ? 2.2235 1.9280 1.6883 0.1155 -0.0040 0.0441 615 TRP B CG 2877 C CD1 . TRP B 114 ? 2.2451 1.9488 1.7158 0.1134 -0.0076 0.0421 615 TRP B CD1 2878 C CD2 . TRP B 114 ? 2.2834 1.9954 1.7565 0.1122 0.0027 0.0444 615 TRP B CD2 2879 N NE1 . TRP B 114 ? 2.2605 1.9705 1.7422 0.1094 -0.0027 0.0411 615 TRP B NE1 2880 C CE2 . TRP B 114 ? 2.2888 2.0036 1.7715 0.1085 0.0033 0.0422 615 TRP B CE2 2881 C CE3 . TRP B 114 ? 2.3182 2.0346 1.7923 0.1121 0.0081 0.0465 615 TRP B CE3 2882 C CZ2 . TRP B 114 ? 2.3032 2.0243 1.7949 0.1047 0.0091 0.0416 615 TRP B CZ2 2883 C CZ3 . TRP B 114 ? 2.3205 2.0433 1.8042 0.1081 0.0132 0.0461 615 TRP B CZ3 2884 C CH2 . TRP B 114 ? 2.3146 2.0394 1.8063 0.1044 0.0137 0.0435 615 TRP B CH2 2885 N N . THR B 115 ? 2.0941 1.8019 1.5507 0.1104 -0.0136 0.0423 616 THR B N 2886 C CA . THR B 115 ? 2.0861 1.7995 1.5495 0.1042 -0.0159 0.0400 616 THR B CA 2887 C C . THR B 115 ? 2.0675 1.7893 1.5346 0.0997 -0.0116 0.0404 616 THR B C 2888 O O . THR B 115 ? 2.0455 1.7735 1.5206 0.0939 -0.0090 0.0387 616 THR B O 2889 C CB . THR B 115 ? 2.0987 1.8068 1.5563 0.1058 -0.0230 0.0397 616 THR B CB 2890 O OG1 . THR B 115 ? 2.1200 1.8271 1.5698 0.1081 -0.0227 0.0414 616 THR B OG1 2891 C CG2 . THR B 115 ? 2.1022 1.8000 1.5536 0.1110 -0.0287 0.0398 616 THR B CG2 2892 N N . LYS B 116 ? 2.0734 1.7942 1.5341 0.1026 -0.0109 0.0428 617 LYS B N 2893 C CA . LYS B 116 ? 2.0906 1.8186 1.5547 0.0986 -0.0079 0.0438 617 LYS B CA 2894 C C . LYS B 116 ? 2.1059 1.8387 1.5758 0.0969 -0.0020 0.0451 617 LYS B C 2895 O O . LYS B 116 ? 2.1256 1.8643 1.5994 0.0928 -0.0002 0.0459 617 LYS B O 2896 C CB . LYS B 116 ? 2.0948 1.8203 1.5519 0.1022 -0.0092 0.0465 617 LYS B CB 2897 C CG . LYS B 116 ? 2.1011 1.8205 1.5511 0.1096 -0.0064 0.0499 617 LYS B CG 2898 C CD . LYS B 116 ? 2.0912 1.8085 1.5354 0.1126 -0.0069 0.0525 617 LYS B CD 2899 C CE . LYS B 116 ? 2.0958 1.8058 1.5322 0.1206 -0.0031 0.0561 617 LYS B CE 2900 N NZ . LYS B 116 ? 2.0940 1.8044 1.5285 0.1227 -0.0011 0.0597 617 LYS B NZ 2901 N N . ASN B 117 ? 2.1266 1.8566 1.5971 0.1000 0.0005 0.0454 618 ASN B N 2902 C CA . ASN B 117 ? 2.1381 1.8727 1.6157 0.0976 0.0057 0.0460 618 ASN B CA 2903 C C . ASN B 117 ? 2.1623 1.9017 1.6473 0.0905 0.0061 0.0424 618 ASN B C 2904 O O . ASN B 117 ? 2.2118 1.9562 1.7021 0.0859 0.0091 0.0423 618 ASN B O 2905 C CB . ASN B 117 ? 2.1224 1.8523 1.5985 0.1032 0.0084 0.0476 618 ASN B CB 2906 C CG . ASN B 117 ? 2.0999 1.8343 1.5833 0.1017 0.0140 0.0492 618 ASN B CG 2907 O OD1 . ASN B 117 ? 2.0671 1.8053 1.5577 0.0969 0.0156 0.0469 618 ASN B OD1 2908 N ND2 . ASN B 117 ? 2.1038 1.8375 1.5857 0.1059 0.0173 0.0534 618 ASN B ND2 2909 N N . ILE B 118 ? 2.1723 1.9095 1.6578 0.0896 0.0032 0.0397 619 ILE B N 2910 C CA . ILE B 118 ? 2.1810 1.9214 1.6732 0.0836 0.0045 0.0365 619 ILE B CA 2911 C C . ILE B 118 ? 2.1912 1.9349 1.6834 0.0781 0.0028 0.0350 619 ILE B C 2912 O O . ILE B 118 ? 2.1633 1.9102 1.6594 0.0725 0.0054 0.0330 619 ILE B O 2913 C CB . ILE B 118 ? 2.1653 1.9019 1.6603 0.0852 0.0028 0.0350 619 ILE B CB 2914 C CG1 . ILE B 118 ? 2.1419 1.8746 1.6361 0.0906 0.0043 0.0366 619 ILE B CG1 2915 C CG2 . ILE B 118 ? 2.1551 1.8946 1.6578 0.0794 0.0055 0.0321 619 ILE B CG2 2916 C CD1 . ILE B 118 ? 2.1306 1.8666 1.6293 0.0892 0.0101 0.0372 619 ILE B CD1 2917 N N . THR B 119 ? 2.2029 1.9452 1.6901 0.0799 -0.0013 0.0360 620 THR B N 2918 C CA . THR B 119 ? 2.2038 1.9494 1.6903 0.0753 -0.0030 0.0353 620 THR B CA 2919 C C . THR B 119 ? 2.2352 1.9851 1.7216 0.0721 -0.0008 0.0367 620 THR B C 2920 O O . THR B 119 ? 2.2568 2.0097 1.7438 0.0665 -0.0008 0.0355 620 THR B O 2921 C CB . THR B 119 ? 2.1870 1.9299 1.6684 0.0784 -0.0081 0.0364 620 THR B CB 2922 O OG1 . THR B 119 ? 2.1758 1.9136 1.6571 0.0818 -0.0112 0.0356 620 THR B OG1 2923 C CG2 . THR B 119 ? 2.1771 1.9232 1.6587 0.0734 -0.0099 0.0354 620 THR B CG2 2924 N N . ASP B 120 ? 2.2538 2.0036 1.7395 0.0759 0.0007 0.0396 621 ASP B N 2925 C CA . ASP B 120 ? 2.2686 2.0224 1.7566 0.0732 0.0027 0.0417 621 ASP B CA 2926 C C . ASP B 120 ? 2.3026 2.0585 1.7956 0.0680 0.0060 0.0396 621 ASP B C 2927 O O . ASP B 120 ? 2.3282 2.0871 1.8225 0.0628 0.0059 0.0397 621 ASP B O 2928 C CB . ASP B 120 ? 2.2510 2.0034 1.7382 0.0794 0.0043 0.0458 621 ASP B CB 2929 C CG . ASP B 120 ? 2.2360 1.9929 1.7277 0.0772 0.0059 0.0491 621 ASP B CG 2930 O OD1 . ASP B 120 ? 2.2365 1.9964 1.7281 0.0734 0.0034 0.0497 621 ASP B OD1 2931 O OD2 . ASP B 120 ? 2.2140 1.9713 1.7097 0.0793 0.0094 0.0513 621 ASP B OD2 2932 N N . LYS B 121 ? 2.3238 2.0776 1.8192 0.0695 0.0084 0.0379 622 LYS B N 2933 C CA . LYS B 121 ? 2.3405 2.0953 1.8407 0.0655 0.0121 0.0360 622 LYS B CA 2934 C C . LYS B 121 ? 2.3652 2.1191 1.8660 0.0603 0.0132 0.0318 622 LYS B C 2935 O O . LYS B 121 ? 2.3746 2.1282 1.8783 0.0570 0.0165 0.0299 622 LYS B O 2936 C CB . LYS B 121 ? 2.3277 2.0808 1.8311 0.0702 0.0151 0.0372 622 LYS B CB 2937 C CG . LYS B 121 ? 2.3209 2.0749 1.8247 0.0745 0.0160 0.0417 622 LYS B CG 2938 C CD . LYS B 121 ? 2.3031 2.0542 1.8082 0.0804 0.0188 0.0433 622 LYS B CD 2939 C CE . LYS B 121 ? 2.2842 2.0366 1.7960 0.0775 0.0226 0.0420 622 LYS B CE 2940 N NZ . LYS B 121 ? 2.2735 2.0234 1.7868 0.0835 0.0256 0.0443 622 LYS B NZ 2941 N N . ILE B 122 ? 2.3794 2.1323 1.8778 0.0598 0.0108 0.0304 623 ILE B N 2942 C CA . ILE B 122 ? 2.3685 2.1206 1.8668 0.0543 0.0123 0.0271 623 ILE B CA 2943 C C . ILE B 122 ? 2.3711 2.1247 1.8655 0.0485 0.0117 0.0268 623 ILE B C 2944 O O . ILE B 122 ? 2.3725 2.1244 1.8655 0.0435 0.0143 0.0241 623 ILE B O 2945 C CB . ILE B 122 ? 2.3502 2.1010 1.8483 0.0552 0.0100 0.0263 623 ILE B CB 2946 C CG1 . ILE B 122 ? 2.3389 2.0911 1.8324 0.0558 0.0053 0.0281 623 ILE B CG1 2947 C CG2 . ILE B 122 ? 2.3353 2.0839 1.8378 0.0602 0.0096 0.0266 623 ILE B CG2 2948 C CD1 . ILE B 122 ? 2.3199 2.0729 1.8102 0.0502 0.0050 0.0269 623 ILE B CD1 2949 N N . ASP B 123 ? 2.3548 2.1108 1.8471 0.0494 0.0085 0.0298 624 ASP B N 2950 C CA . ASP B 123 ? 2.3416 2.0990 1.8310 0.0441 0.0070 0.0303 624 ASP B CA 2951 C C . ASP B 123 ? 2.3538 2.1119 1.8464 0.0423 0.0086 0.0312 624 ASP B C 2952 O O . ASP B 123 ? 2.3668 2.1270 1.8595 0.0400 0.0061 0.0336 624 ASP B O 2953 C CB . ASP B 123 ? 2.3030 2.0631 1.7904 0.0457 0.0026 0.0336 624 ASP B CB 2954 C CG . ASP B 123 ? 2.2695 2.0286 1.7538 0.0467 0.0006 0.0326 624 ASP B CG 2955 O OD1 . ASP B 123 ? 2.2149 1.9731 1.7003 0.0522 0.0000 0.0333 624 ASP B OD1 2956 O OD2 . ASP B 123 ? 2.2476 2.0065 1.7283 0.0420 -0.0004 0.0313 624 ASP B OD2 2957 N N . GLN B 124 ? 2.3317 2.0881 1.8278 0.0433 0.0124 0.0295 625 GLN B N 2958 C CA . GLN B 124 ? 2.3080 2.0634 1.8062 0.0396 0.0146 0.0285 625 GLN B CA 2959 C C . GLN B 124 ? 2.3250 2.0763 1.8226 0.0374 0.0189 0.0241 625 GLN B C 2960 O O . GLN B 124 ? 2.3317 2.0816 1.8328 0.0368 0.0220 0.0232 625 GLN B O 2961 C CB . GLN B 124 ? 2.2630 2.0207 1.7678 0.0438 0.0156 0.0319 625 GLN B CB 2962 C CG . GLN B 124 ? 2.2269 1.9882 1.7332 0.0458 0.0124 0.0367 625 GLN B CG 2963 C CD . GLN B 124 ? 2.1919 1.9549 1.7052 0.0501 0.0145 0.0406 625 GLN B CD 2964 O OE1 . GLN B 124 ? 2.1776 1.9395 1.6927 0.0553 0.0174 0.0408 625 GLN B OE1 2965 N NE2 . GLN B 124 ? 2.1732 1.9387 1.6909 0.0479 0.0128 0.0440 625 GLN B NE2 2966 N N . ILE B 125 ? 2.3406 2.0899 1.8345 0.0363 0.0195 0.0218 626 ILE B N 2967 C CA . ILE B 125 ? 2.3577 2.1026 1.8510 0.0338 0.0242 0.0180 626 ILE B CA 2968 C C . ILE B 125 ? 2.3834 2.1255 1.8702 0.0301 0.0244 0.0159 626 ILE B C 2969 O O . ILE B 125 ? 2.3982 2.1353 1.8804 0.0256 0.0278 0.0129 626 ILE B O 2970 C CB . ILE B 125 ? 2.3265 2.0716 1.8272 0.0389 0.0273 0.0179 626 ILE B CB 2971 C CG1 . ILE B 125 ? 2.3074 2.0487 1.8105 0.0367 0.0329 0.0149 626 ILE B CG1 2972 C CG2 . ILE B 125 ? 2.3166 2.0616 1.8185 0.0414 0.0265 0.0178 626 ILE B CG2 2973 C CD1 . ILE B 125 ? 2.2867 2.0286 1.7925 0.0364 0.0337 0.0157 626 ILE B CD1 2974 N N . ILE B 126 ? 2.3839 2.1285 1.8697 0.0321 0.0210 0.0176 627 ILE B N 2975 C CA . ILE B 126 ? 2.3711 2.1137 1.8506 0.0286 0.0204 0.0166 627 ILE B CA 2976 C C . ILE B 126 ? 2.3703 2.1136 1.8429 0.0247 0.0159 0.0178 627 ILE B C 2977 O O . ILE B 126 ? 2.3855 2.1251 1.8504 0.0200 0.0162 0.0162 627 ILE B O 2978 C CB . ILE B 126 ? 2.3455 2.0900 1.8284 0.0323 0.0189 0.0177 627 ILE B CB 2979 C CG1 . ILE B 126 ? 2.3277 2.0690 1.8063 0.0288 0.0210 0.0161 627 ILE B CG1 2980 C CG2 . ILE B 126 ? 2.3361 2.0849 1.8191 0.0355 0.0130 0.0210 627 ILE B CG2 2981 C CD1 . ILE B 126 ? 2.3110 2.0538 1.7948 0.0321 0.0199 0.0173 627 ILE B CD1 2982 N N . HIS B 127 ? 2.3575 2.1052 1.8330 0.0269 0.0119 0.0210 628 HIS B N 2983 C CA . HIS B 127 ? 2.3534 2.1024 1.8249 0.0235 0.0073 0.0231 628 HIS B CA 2984 C C . HIS B 127 ? 2.3578 2.1033 1.8266 0.0185 0.0079 0.0216 628 HIS B C 2985 O O . HIS B 127 ? 2.3692 2.1114 1.8305 0.0130 0.0055 0.0209 628 HIS B O 2986 C CB . HIS B 127 ? 2.3531 2.1076 1.8302 0.0282 0.0038 0.0275 628 HIS B CB 2987 C CG . HIS B 127 ? 2.3521 2.1087 1.8277 0.0253 -0.0009 0.0305 628 HIS B CG 2988 N ND1 . HIS B 127 ? 2.3480 2.1038 1.8172 0.0212 -0.0041 0.0305 628 HIS B ND1 2989 C CD2 . HIS B 127 ? 2.3358 2.0956 1.8166 0.0260 -0.0030 0.0342 628 HIS B CD2 2990 C CE1 . HIS B 127 ? 2.3384 2.0968 1.8090 0.0193 -0.0085 0.0340 628 HIS B CE1 2991 N NE2 . HIS B 127 ? 2.3328 2.0937 1.8109 0.0222 -0.0078 0.0364 628 HIS B NE2 2992 N N . ASP B 128 ? 2.3518 2.0974 1.8265 0.0204 0.0107 0.0213 629 ASP B N 2993 C CA . ASP B 128 ? 2.3399 2.0813 1.8128 0.0160 0.0119 0.0194 629 ASP B CA 2994 C C . ASP B 128 ? 2.3524 2.0874 1.8213 0.0142 0.0178 0.0147 629 ASP B C 2995 O O . ASP B 128 ? 2.3320 2.0665 1.8065 0.0166 0.0221 0.0136 629 ASP B O 2996 C CB . ASP B 128 ? 2.3150 2.0599 1.7972 0.0189 0.0120 0.0220 629 ASP B CB 2997 C CG . ASP B 128 ? 2.2966 2.0468 1.7831 0.0200 0.0069 0.0270 629 ASP B CG 2998 O OD1 . ASP B 128 ? 2.2668 2.0182 1.7591 0.0195 0.0060 0.0292 629 ASP B OD1 2999 O OD2 . ASP B 128 ? 2.2753 2.0283 1.7602 0.0215 0.0041 0.0290 629 ASP B OD2 3000 N N . PHE B 129 ? 2.3590 2.0888 1.8182 0.0103 0.0183 0.0124 630 PHE B N 3001 C CA . PHE B 129 ? 2.3323 2.0545 1.7858 0.0080 0.0246 0.0081 630 PHE B CA 3002 C C . PHE B 129 ? 2.3268 2.0410 1.7671 0.0011 0.0228 0.0060 630 PHE B C 3003 O O . PHE B 129 ? 2.3233 2.0327 1.7540 -0.0014 0.0236 0.0047 630 PHE B O 3004 C CB . PHE B 129 ? 2.3077 2.0305 1.7620 0.0106 0.0278 0.0077 630 PHE B CB 3005 C CG . PHE B 129 ? 2.2866 2.0028 1.7394 0.0100 0.0356 0.0043 630 PHE B CG 3006 C CD1 . PHE B 129 ? 2.2476 1.9646 1.7097 0.0134 0.0402 0.0036 630 PHE B CD1 3007 C CD2 . PHE B 129 ? 2.2711 1.9798 1.7132 0.0063 0.0389 0.0020 630 PHE B CD2 3008 C CE1 . PHE B 129 ? 2.2333 1.9443 1.6953 0.0130 0.0479 0.0009 630 PHE B CE1 3009 C CE2 . PHE B 129 ? 2.2530 1.9551 1.6942 0.0061 0.0472 -0.0006 630 PHE B CE2 3010 C CZ . PHE B 129 ? 2.2402 1.9437 1.6920 0.0094 0.0517 -0.0012 630 PHE B CZ 3011 N N . VAL B 130 ? 2.3115 2.0236 1.7514 -0.0017 0.0203 0.0059 631 VAL B N 3012 C CA . VAL B 130 ? 2.3104 2.0150 1.7384 -0.0083 0.0160 0.0047 631 VAL B CA 3013 C C . VAL B 130 ? 2.3156 2.0082 1.7329 -0.0120 0.0214 -0.0003 631 VAL B C 3014 O O . VAL B 130 ? 2.3097 2.0006 1.7319 -0.0111 0.0252 -0.0019 631 VAL B O 3015 C CB . VAL B 130 ? 2.2997 2.0080 1.7340 -0.0098 0.0094 0.0077 631 VAL B CB 3016 C CG1 . VAL B 130 ? 2.3036 2.0042 1.7260 -0.0170 0.0031 0.0072 631 VAL B CG1 3017 C CG2 . VAL B 130 ? 2.2716 1.9913 1.7174 -0.0052 0.0056 0.0130 631 VAL B CG2 3018 N N . ASP B 131 ? 2.3112 1.9949 1.7135 -0.0160 0.0221 -0.0026 632 ASP B N 3019 C CA . ASP B 131 ? 2.3087 1.9787 1.6976 -0.0197 0.0275 -0.0074 632 ASP B CA 3020 C C . ASP B 131 ? 2.3077 1.9690 1.6854 -0.0261 0.0208 -0.0085 632 ASP B C 3021 O O . ASP B 131 ? 2.3043 1.9522 1.6678 -0.0300 0.0236 -0.0126 632 ASP B O 3022 C CB . ASP B 131 ? 2.2985 1.9617 1.6760 -0.0201 0.0330 -0.0093 632 ASP B CB 3023 C CG . ASP B 131 ? 2.2905 1.9491 1.6538 -0.0246 0.0268 -0.0084 632 ASP B CG 3024 O OD1 . ASP B 131 ? 2.2696 1.9360 1.6377 -0.0252 0.0182 -0.0047 632 ASP B OD1 3025 O OD2 . ASP B 131 ? 2.2841 1.9309 1.6314 -0.0274 0.0308 -0.0112 632 ASP B OD2 # 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 ? ? ? 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 276 293 ? ? ? A J n A 1 277 GLU 277 293 ? ? ? A K n A 1 278 GLU 278 293 ? ? ? A L 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 285 432 ? ? ? A . n A 1 286 THR 286 433 ? ? ? A . n A 1 287 HIS 287 434 ? ? ? A . n A 1 288 HIS 288 435 ? ? ? A . n A 1 289 GLN 289 436 ? ? ? A . n A 1 290 ASP 290 437 ? ? ? A . n A 1 291 THR 291 438 ? ? ? A . n A 1 292 GLY 292 439 ? ? ? A . n A 1 293 GLU 293 440 ? ? ? A . n A 1 294 GLU 294 441 ? ? ? A . n A 1 295 SER 295 442 ? ? ? A . n A 1 296 ALA 296 443 ? ? ? A . n A 1 297 SER 297 444 ? ? ? A . n A 1 298 SER 298 445 ? ? ? A . n A 1 299 GLY 299 446 ? ? ? A . n A 1 300 LYS 300 447 ? ? ? A . n A 1 301 LEU 301 448 ? ? ? A . n A 1 302 GLY 302 449 ? ? ? A . n A 1 303 LEU 303 450 ? ? ? A . n A 1 304 ILE 304 451 ? ? ? A . n A 1 305 THR 305 452 ? ? ? A . n A 1 306 ASN 306 453 ? ? ? A . n A 1 307 THR 307 454 ? ? ? A . n A 1 308 ILE 308 455 ? ? ? A . n A 1 309 ALA 309 456 ? ? ? A . n A 1 310 GLY 310 457 ? ? ? A . n A 1 311 VAL 311 458 ? ? ? A . n A 1 312 ALA 312 459 ? ? ? A . n A 1 313 GLY 313 460 ? ? ? A . n A 1 314 LEU 314 461 ? ? ? A . n A 1 315 ILE 315 462 ? ? ? A . n A 1 316 THR 316 463 ? ? ? A . n A 1 317 GLY 317 464 ? ? ? A . n A 1 318 GLY 318 465 ? ? ? A . n A 1 319 ARG 319 466 ? ? ? A . n A 1 320 ARG 320 467 ? ? ? A . n A 1 321 THR 321 468 ? ? ? A . n A 1 322 ARG 322 469 ? ? ? A . n A 1 323 ARG 323 470 ? ? ? A . n A 1 324 UNK 324 471 471 UNK UNK A . n A 1 325 UNK 325 472 472 UNK UNK A . n A 1 326 UNK 326 473 473 UNK UNK A . n A 1 327 UNK 327 474 474 UNK UNK A . n A 1 328 UNK 328 475 475 UNK UNK A . n A 1 329 UNK 329 476 476 UNK UNK A . n A 1 330 UNK 330 477 477 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 131 632 632 ASP ASP 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 2 NAG NAG A . D 3 NAG 1 602 10 NAG NAG A . E 3 NAG 1 603 11 NAG NAG A . F 3 NAG 1 604 12 NAG NAG A . G 4 GOL 1 605 3 GOL GOL A . H 4 GOL 1 606 5 GOL GOL A . I 4 GOL 1 607 6 GOL GOL A . J 4 GOL 1 701 2 GOL GOL B . K 4 GOL 1 702 7 GOL GOL B . L 3 NAG 1 703 621 NAG NAG B . M 3 NAG 2 704 622 NAG NAG B . N 5 BMA 3 705 623 BMA BMA B . O 6 IBP 1 706 1 IBP IBP B . P 7 HOH 1 701 6 HOH HOH A . P 7 HOH 2 702 139 HOH HOH A . P 7 HOH 3 703 4 HOH HOH A . P 7 HOH 4 704 17 HOH HOH A . P 7 HOH 5 705 37 HOH HOH A . P 7 HOH 6 706 48 HOH HOH A . P 7 HOH 7 707 136 HOH HOH A . P 7 HOH 8 708 20 HOH HOH A . P 7 HOH 9 709 10 HOH HOH A . P 7 HOH 10 710 1 HOH HOH A . P 7 HOH 11 711 120 HOH HOH A . P 7 HOH 12 712 8 HOH HOH A . P 7 HOH 13 713 5 HOH HOH A . P 7 HOH 14 714 41 HOH HOH A . P 7 HOH 15 715 119 HOH HOH A . P 7 HOH 16 716 134 HOH HOH A . P 7 HOH 17 717 9 HOH HOH A . P 7 HOH 18 718 135 HOH HOH A . P 7 HOH 19 719 15 HOH HOH A . P 7 HOH 20 720 123 HOH HOH A . P 7 HOH 21 721 83 HOH HOH A . P 7 HOH 22 722 54 HOH HOH A . P 7 HOH 23 723 12 HOH HOH A . P 7 HOH 24 724 137 HOH HOH A . P 7 HOH 25 725 33 HOH HOH A . P 7 HOH 26 726 69 HOH HOH A . P 7 HOH 27 727 72 HOH HOH A . P 7 HOH 28 728 22 HOH HOH A . P 7 HOH 29 729 140 HOH HOH A . P 7 HOH 30 730 68 HOH HOH A . P 7 HOH 31 731 80 HOH HOH A . P 7 HOH 32 732 107 HOH HOH A . P 7 HOH 33 733 127 HOH HOH A . P 7 HOH 34 734 130 HOH HOH A . P 7 HOH 35 735 121 HOH HOH A . P 7 HOH 36 736 118 HOH HOH A . P 7 HOH 37 737 131 HOH HOH A . P 7 HOH 38 738 40 HOH HOH A . P 7 HOH 39 739 53 HOH HOH A . P 7 HOH 40 740 111 HOH HOH A . Q 7 HOH 1 801 74 HOH HOH B . Q 7 HOH 2 802 104 HOH HOH B . Q 7 HOH 3 803 52 HOH HOH B . Q 7 HOH 4 804 59 HOH HOH B . Q 7 HOH 5 805 18 HOH HOH B . Q 7 HOH 6 806 3 HOH HOH B . Q 7 HOH 7 807 87 HOH HOH B . Q 7 HOH 8 808 113 HOH HOH B . Q 7 HOH 9 809 19 HOH HOH B . Q 7 HOH 10 810 77 HOH HOH B . Q 7 HOH 11 811 65 HOH HOH B . Q 7 HOH 12 812 102 HOH HOH B . Q 7 HOH 13 813 64 HOH HOH B . Q 7 HOH 14 814 55 HOH HOH B . Q 7 HOH 15 815 144 HOH HOH B . Q 7 HOH 16 816 21 HOH HOH B . Q 7 HOH 17 817 143 HOH HOH B . Q 7 HOH 18 818 24 HOH HOH B . Q 7 HOH 19 819 133 HOH HOH B . Q 7 HOH 20 820 27 HOH HOH B . Q 7 HOH 21 821 128 HOH HOH B . Q 7 HOH 22 822 108 HOH HOH B . Q 7 HOH 23 823 84 HOH HOH B . Q 7 HOH 24 824 126 HOH HOH B . Q 7 HOH 25 825 129 HOH HOH B . Q 7 HOH 26 826 49 HOH HOH B . Q 7 HOH 27 827 99 HOH HOH B . Q 7 HOH 28 828 105 HOH HOH B . Q 7 HOH 29 829 36 HOH HOH B . Q 7 HOH 30 830 60 HOH HOH B . Q 7 HOH 31 831 141 HOH HOH B . Q 7 HOH 32 832 63 HOH HOH B . Q 7 HOH 33 833 142 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,Q # 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)' 41170 ? 1 MORE -96 ? 1 'SSA (A^2)' 52230 ? # 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 -56.8800000000 0.8660254038 -0.5000000000 0.0000000000 98.5190499345 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 -113.7600000000 -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 -55.1666 13.0864 -19.4579 0.2114 0.1390 0.0689 -0.0190 0.0260 0.0092 0.5753 1.1693 1.4473 -0.0986 -0.2983 0.2325 -0.0165 -0.0291 -0.0635 0.0022 -0.0632 -0.0277 0.1738 0.0212 0.0798 'X-RAY DIFFRACTION' 2 ? refined -46.9915 -4.9999 -38.6791 0.5304 0.1698 0.1320 0.0671 0.0839 -0.0657 0.7346 2.5575 3.1213 -0.2080 -1.2171 1.1834 -0.1762 0.0727 -0.2017 -0.3142 -0.0153 -0.1047 0.6657 0.1578 0.1914 'X-RAY DIFFRACTION' 3 ? refined -51.9382 18.0800 -8.2731 0.2155 0.1726 0.0794 0.0076 0.0313 0.0314 0.1021 0.8425 0.7112 0.0951 0.2393 0.3740 0.0111 -0.0186 0.0090 0.1573 -0.0862 -0.0306 0.1723 -0.0919 0.0751 'X-RAY DIFFRACTION' 4 ? refined -50.1536 31.0505 36.5147 0.5541 0.3056 0.0495 0.0680 0.0074 0.0343 0.2541 1.0813 0.1210 -0.0877 0.0014 -0.3562 0.1474 -0.0377 0.0843 -0.0151 -0.1278 0.0235 0.0052 0.0481 -0.0196 # 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 194 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 211 ? ? A 477 ? ? ? ? 'X-RAY DIFFRACTION' 3 3 B 502 ? ? B 610 ? ? ? ? 'X-RAY DIFFRACTION' 4 4 B 611 ? ? B 632 ? ? ? ? # 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 SER A 46 ? ? -152.00 -151.64 2 1 GLU A 71 ? ? -28.78 -56.77 3 1 TYR A 162 ? ? -112.24 -162.54 4 1 ALA A 189 ? ? -120.41 -89.18 5 1 GLU A 229 ? ? -105.25 64.35 6 1 ASN A 268 ? ? -109.26 49.98 7 1 UNK A 472 ? ? -163.59 102.14 8 1 ALA B 525 ? ? -172.86 59.14 9 1 ASN B 550 ? ? -88.94 39.37 10 1 LEU B 604 ? ? 68.47 -0.24 11 1 CYS B 609 ? ? -98.70 56.60 12 1 HIS B 613 ? ? -27.17 -55.48 13 1 ILE B 626 ? ? -148.00 -42.21 # 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 9 1 Y 1 A PHE 193 ? CG ? A PHE 166 CG 10 1 Y 1 A PHE 193 ? CD1 ? A PHE 166 CD1 11 1 Y 1 A PHE 193 ? CD2 ? A PHE 166 CD2 12 1 Y 1 A PHE 193 ? CE1 ? A PHE 166 CE1 13 1 Y 1 A PHE 193 ? CE2 ? A PHE 166 CE2 14 1 Y 1 A PHE 193 ? CZ ? A PHE 166 CZ 15 1 Y 1 A PHE 194 ? CG ? A PHE 167 CG 16 1 Y 1 A PHE 194 ? CD1 ? A PHE 167 CD1 17 1 Y 1 A PHE 194 ? CD2 ? A PHE 167 CD2 18 1 Y 1 A PHE 194 ? CE1 ? A PHE 167 CE1 19 1 Y 1 A PHE 194 ? CE2 ? A PHE 167 CE2 20 1 Y 1 A PHE 194 ? CZ ? A PHE 167 CZ # 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 195 ? A SER 168 6 1 Y 1 A SER 196 ? A SER 169 7 1 Y 1 A HIS 197 ? A HIS 170 8 1 Y 1 A PRO 198 ? A PRO 171 9 1 Y 1 A LEU 199 ? A LEU 172 10 1 Y 1 A ARG 200 ? A ARG 173 11 1 Y 1 A GLU 201 ? A GLU 174 12 1 Y 1 A PRO 202 ? A PRO 175 13 1 Y 1 A VAL 203 ? A VAL 176 14 1 Y 1 A ASN 204 ? A ASN 177 15 1 Y 1 A ALA 205 ? A ALA 178 16 1 Y 1 A THR 206 ? A THR 179 17 1 Y 1 A GLU 207 ? A GLU 180 18 1 Y 1 A ASP 208 ? A ASP 181 19 1 Y 1 A PRO 209 ? A PRO 182 20 1 Y 1 A SER 210 ? A SER 183 21 1 Y 1 A ILE 285 ? A ILE 258 22 1 Y 1 A GLY 286 ? A GLY 259 23 1 Y 1 A LYS 293 A A LYS 267 24 1 Y 1 A LYS 293 B A LYS 268 25 1 Y 1 A ASN 293 C A ASN 269 26 1 Y 1 A LEU 293 D A LEU 270 27 1 Y 1 A THR 293 E A THR 271 28 1 Y 1 A ARG 293 F A ARG 272 29 1 Y 1 A LYS 293 G A LYS 273 30 1 Y 1 A ILE 293 H A ILE 274 31 1 Y 1 A ARG 293 I A ARG 275 32 1 Y 1 A SER 293 J A SER 276 33 1 Y 1 A GLU 293 K A GLU 277 34 1 Y 1 A GLU 293 L A GLU 278 35 1 Y 1 A SER 432 ? A SER 285 36 1 Y 1 A THR 433 ? A THR 286 37 1 Y 1 A HIS 434 ? A HIS 287 38 1 Y 1 A HIS 435 ? A HIS 288 39 1 Y 1 A GLN 436 ? A GLN 289 40 1 Y 1 A ASP 437 ? A ASP 290 41 1 Y 1 A THR 438 ? A THR 291 42 1 Y 1 A GLY 439 ? A GLY 292 43 1 Y 1 A GLU 440 ? A GLU 293 44 1 Y 1 A GLU 441 ? A GLU 294 45 1 Y 1 A SER 442 ? A SER 295 46 1 Y 1 A ALA 443 ? A ALA 296 47 1 Y 1 A SER 444 ? A SER 297 48 1 Y 1 A SER 445 ? A SER 298 49 1 Y 1 A GLY 446 ? A GLY 299 50 1 Y 1 A LYS 447 ? A LYS 300 51 1 Y 1 A LEU 448 ? A LEU 301 52 1 Y 1 A GLY 449 ? A GLY 302 53 1 Y 1 A LEU 450 ? A LEU 303 54 1 Y 1 A ILE 451 ? A ILE 304 55 1 Y 1 A THR 452 ? A THR 305 56 1 Y 1 A ASN 453 ? A ASN 306 57 1 Y 1 A THR 454 ? A THR 307 58 1 Y 1 A ILE 455 ? A ILE 308 59 1 Y 1 A ALA 456 ? A ALA 309 60 1 Y 1 A GLY 457 ? A GLY 310 61 1 Y 1 A VAL 458 ? A VAL 311 62 1 Y 1 A ALA 459 ? A ALA 312 63 1 Y 1 A GLY 460 ? A GLY 313 64 1 Y 1 A LEU 461 ? A LEU 314 65 1 Y 1 A ILE 462 ? A ILE 315 66 1 Y 1 A THR 463 ? A THR 316 67 1 Y 1 A GLY 464 ? A GLY 317 68 1 Y 1 A GLY 465 ? A GLY 318 69 1 Y 1 A ARG 466 ? A ARG 319 70 1 Y 1 A ARG 467 ? A ARG 320 71 1 Y 1 A THR 468 ? A THR 321 72 1 Y 1 A ARG 469 ? A ARG 322 73 1 Y 1 A ARG 470 ? A ARG 323 74 1 Y 1 B GLY 633 ? B GLY 132 75 1 Y 1 B SER 634 ? B SER 133 76 1 Y 1 B GLY 635 ? B GLY 134 77 1 Y 1 B TYR 636 ? B TYR 135 78 1 Y 1 B ILE 637 ? B ILE 136 79 1 Y 1 B PRO 638 ? B PRO 137 80 1 Y 1 B GLU 639 ? B GLU 138 81 1 Y 1 B ALA 640 ? B ALA 139 82 1 Y 1 B PRO 641 ? B PRO 140 83 1 Y 1 B ARG 642 ? B ARG 141 84 1 Y 1 B ASP 643 ? B ASP 142 85 1 Y 1 B GLY 644 ? B GLY 143 86 1 Y 1 B GLN 645 ? B GLN 144 87 1 Y 1 B ALA 646 ? B ALA 145 88 1 Y 1 B TYR 647 ? B TYR 146 89 1 Y 1 B VAL 648 ? B VAL 147 90 1 Y 1 B ARG 649 ? B ARG 148 91 1 Y 1 B LYS 650 ? B LYS 149 92 1 Y 1 B ASP 651 ? B ASP 150 93 1 Y 1 B GLY 652 ? B GLY 151 94 1 Y 1 B GLU 653 ? B GLU 152 95 1 Y 1 B TRP 654 ? B TRP 153 96 1 Y 1 B VAL 655 ? B VAL 154 97 1 Y 1 B LEU 656 ? B LEU 155 98 1 Y 1 B LEU 657 ? B LEU 156 99 1 Y 1 B SER 658 ? B SER 157 100 1 Y 1 B THR 659 ? B THR 158 101 1 Y 1 B PHE 660 ? B PHE 159 102 1 Y 1 B LEU 661 ? B LEU 160 103 1 Y 1 B GLY 662 ? B GLY 161 104 1 Y 1 B THR 663 ? B THR 162 105 1 Y 1 B HIS 664 ? B HIS 163 106 1 Y 1 B HIS 665 ? B HIS 164 107 1 Y 1 B HIS 666 ? B HIS 165 108 1 Y 1 B HIS 667 ? B HIS 166 109 1 Y 1 B HIS 668 ? B HIS 167 110 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 IBUPROFEN IBP 7 water HOH #